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- structures/157d.cif +0 -0
- structures/1eht.cif +0 -0
- structures/1f6z.cif +0 -0
- structures/1g2e.cif +0 -0
- structures/1i3y.cif +0 -0
- structures/1kka.cif +0 -0
- structures/1n8x.cif +0 -0
- structures/1nbk.cif +0 -0
- structures/1rfr.cif +0 -0
- structures/1uuu.cif +0 -0
- structures/1wts.cif +1638 -0
- structures/1y90.cif +0 -0
- structures/205d.cif +0 -0
- structures/2bj6.cif +0 -0
- structures/2i82.cif +0 -0
- structures/2ixy.cif +0 -0
- structures/2kxm.cif +0 -0
- structures/2lhp.cif +0 -0
- structures/2lpa.cif +0 -0
- structures/2n3r.cif +0 -0
- structures/2nqp.cif +0 -0
- structures/2pwt.cif +0 -0
- structures/2pxl.cif +0 -0
- structures/2r8s.cif +0 -0
- structures/2u2a.cif +1632 -0
- structures/2ykr.cif +0 -0
- structures/3fo6.cif +0 -0
- structures/3hox.cif +0 -0
- structures/3j7a.cif +0 -0
- structures/3mij.cif +1776 -0
- structures/3s7c.cif +0 -0
- structures/3v11.cif +0 -0
- structures/3zd7.cif +0 -0
- structures/3zgz.cif +0 -0
- structures/4a2x.cif +0 -0
- structures/4d5n.cif +0 -0
- structures/4fau.cif +0 -0
- structures/4ftb.cif +0 -0
- structures/4jxz.cif +0 -0
- structures/4m30.cif +0 -0
- structures/4o26.cif +0 -0
- structures/4w5q.cif +0 -0
- structures/5axn.cif +0 -0
- structures/5b2r.cif +0 -0
- structures/5g4v.cif +0 -0
- structures/5i9h.cif +0 -0
- structures/5y36.cif +0 -0
- structures/6e1t.cif +0 -0
- structures/6e1u.cif +0 -0
- structures/6i3p.cif +0 -0
structures/157d.cif
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structures/1eht.cif
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structures/1f6z.cif
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structures/1g2e.cif
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structures/1i3y.cif
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structures/1kka.cif
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structures/1n8x.cif
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structures/1nbk.cif
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structures/1rfr.cif
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structures/1uuu.cif
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structures/1wts.cif
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|
| 1 |
+
data_1WTS
|
| 2 |
+
#
|
| 3 |
+
_entry.id 1WTS
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.392
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 1WTS pdb_00001wts 10.2210/pdb1wts/pdb
|
| 15 |
+
WWPDB D_1000177232 ? ?
|
| 16 |
+
#
|
| 17 |
+
loop_
|
| 18 |
+
_pdbx_audit_revision_history.ordinal
|
| 19 |
+
_pdbx_audit_revision_history.data_content_type
|
| 20 |
+
_pdbx_audit_revision_history.major_revision
|
| 21 |
+
_pdbx_audit_revision_history.minor_revision
|
| 22 |
+
_pdbx_audit_revision_history.revision_date
|
| 23 |
+
1 'Structure model' 1 0 1999-01-27
|
| 24 |
+
2 'Structure model' 1 1 2008-03-24
|
| 25 |
+
3 'Structure model' 1 2 2011-07-13
|
| 26 |
+
4 'Structure model' 1 3 2022-03-02
|
| 27 |
+
5 'Structure model' 1 4 2024-05-22
|
| 28 |
+
#
|
| 29 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 30 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 31 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 32 |
+
_pdbx_audit_revision_details.provider repository
|
| 33 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 34 |
+
_pdbx_audit_revision_details.description ?
|
| 35 |
+
_pdbx_audit_revision_details.details ?
|
| 36 |
+
#
|
| 37 |
+
loop_
|
| 38 |
+
_pdbx_audit_revision_group.ordinal
|
| 39 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 40 |
+
_pdbx_audit_revision_group.data_content_type
|
| 41 |
+
_pdbx_audit_revision_group.group
|
| 42 |
+
1 2 'Structure model' 'Version format compliance'
|
| 43 |
+
2 3 'Structure model' 'Version format compliance'
|
| 44 |
+
3 4 'Structure model' 'Database references'
|
| 45 |
+
4 4 'Structure model' 'Derived calculations'
|
| 46 |
+
5 4 'Structure model' 'Experimental preparation'
|
| 47 |
+
6 4 'Structure model' Other
|
| 48 |
+
7 5 'Structure model' 'Data collection'
|
| 49 |
+
#
|
| 50 |
+
loop_
|
| 51 |
+
_pdbx_audit_revision_category.ordinal
|
| 52 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 53 |
+
_pdbx_audit_revision_category.data_content_type
|
| 54 |
+
_pdbx_audit_revision_category.category
|
| 55 |
+
1 4 'Structure model' database_2
|
| 56 |
+
2 4 'Structure model' pdbx_database_status
|
| 57 |
+
3 4 'Structure model' pdbx_nmr_exptl_sample_conditions
|
| 58 |
+
4 4 'Structure model' pdbx_struct_assembly
|
| 59 |
+
5 4 'Structure model' pdbx_struct_oper_list
|
| 60 |
+
6 4 'Structure model' struct_conn
|
| 61 |
+
7 5 'Structure model' chem_comp_atom
|
| 62 |
+
8 5 'Structure model' chem_comp_bond
|
| 63 |
+
#
|
| 64 |
+
loop_
|
| 65 |
+
_pdbx_audit_revision_item.ordinal
|
| 66 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 67 |
+
_pdbx_audit_revision_item.data_content_type
|
| 68 |
+
_pdbx_audit_revision_item.item
|
| 69 |
+
1 4 'Structure model' '_database_2.pdbx_DOI'
|
| 70 |
+
2 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 71 |
+
3 4 'Structure model' '_pdbx_database_status.process_site'
|
| 72 |
+
4 4 'Structure model' '_pdbx_nmr_exptl_sample_conditions.pressure_units'
|
| 73 |
+
5 4 'Structure model' '_struct_conn.pdbx_leaving_atom_flag'
|
| 74 |
+
6 4 'Structure model' '_struct_conn.ptnr1_auth_comp_id'
|
| 75 |
+
7 4 'Structure model' '_struct_conn.ptnr1_auth_seq_id'
|
| 76 |
+
8 4 'Structure model' '_struct_conn.ptnr1_label_atom_id'
|
| 77 |
+
9 4 'Structure model' '_struct_conn.ptnr1_label_comp_id'
|
| 78 |
+
10 4 'Structure model' '_struct_conn.ptnr1_label_seq_id'
|
| 79 |
+
11 4 'Structure model' '_struct_conn.ptnr2_auth_comp_id'
|
| 80 |
+
12 4 'Structure model' '_struct_conn.ptnr2_auth_seq_id'
|
| 81 |
+
13 4 'Structure model' '_struct_conn.ptnr2_label_atom_id'
|
| 82 |
+
14 4 'Structure model' '_struct_conn.ptnr2_label_comp_id'
|
| 83 |
+
15 4 'Structure model' '_struct_conn.ptnr2_label_seq_id'
|
| 84 |
+
#
|
| 85 |
+
_pdbx_database_status.status_code REL
|
| 86 |
+
_pdbx_database_status.entry_id 1WTS
|
| 87 |
+
_pdbx_database_status.recvd_initial_deposition_date 1998-06-26
|
| 88 |
+
_pdbx_database_status.deposit_site ?
|
| 89 |
+
_pdbx_database_status.process_site BNL
|
| 90 |
+
_pdbx_database_status.SG_entry .
|
| 91 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 92 |
+
_pdbx_database_status.status_code_mr ?
|
| 93 |
+
_pdbx_database_status.status_code_sf ?
|
| 94 |
+
_pdbx_database_status.status_code_cs ?
|
| 95 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 96 |
+
_pdbx_database_status.methods_development_category ?
|
| 97 |
+
#
|
| 98 |
+
_pdbx_database_related.db_name PDB
|
| 99 |
+
_pdbx_database_related.db_id 1WTT
|
| 100 |
+
_pdbx_database_related.details 'ENSEMBLE OF 11 STRUCTURES'
|
| 101 |
+
_pdbx_database_related.content_type ensemble
|
| 102 |
+
#
|
| 103 |
+
loop_
|
| 104 |
+
_audit_author.name
|
| 105 |
+
_audit_author.pdbx_ordinal
|
| 106 |
+
'Rife, J.P.' 1
|
| 107 |
+
'Moore, P.B.' 2
|
| 108 |
+
#
|
| 109 |
+
_citation.id primary
|
| 110 |
+
_citation.title 'The structure of a methylated tetraloop in 16S ribosomal RNA.'
|
| 111 |
+
_citation.journal_abbrev Structure
|
| 112 |
+
_citation.journal_volume 6
|
| 113 |
+
_citation.page_first 747
|
| 114 |
+
_citation.page_last 756
|
| 115 |
+
_citation.year 1998
|
| 116 |
+
_citation.journal_id_ASTM STRUE6
|
| 117 |
+
_citation.country UK
|
| 118 |
+
_citation.journal_id_ISSN 0969-2126
|
| 119 |
+
_citation.journal_id_CSD 2005
|
| 120 |
+
_citation.book_publisher ?
|
| 121 |
+
_citation.pdbx_database_id_PubMed 9655826
|
| 122 |
+
_citation.pdbx_database_id_DOI '10.1016/S0969-2126(98)00076-8'
|
| 123 |
+
#
|
| 124 |
+
loop_
|
| 125 |
+
_citation_author.citation_id
|
| 126 |
+
_citation_author.name
|
| 127 |
+
_citation_author.ordinal
|
| 128 |
+
_citation_author.identifier_ORCID
|
| 129 |
+
primary 'Rife, J.P.' 1 ?
|
| 130 |
+
primary 'Moore, P.B.' 2 ?
|
| 131 |
+
#
|
| 132 |
+
_entity.id 1
|
| 133 |
+
_entity.type polymer
|
| 134 |
+
_entity.src_method syn
|
| 135 |
+
_entity.pdbx_description
|
| 136 |
+
;RNA (5'-R(*GP*GP*AP*CP*CP*2MGP*GP*MA6P*MA6P*GP*GP*UP*CP*C)-3')
|
| 137 |
+
;
|
| 138 |
+
_entity.formula_weight 4610.919
|
| 139 |
+
_entity.pdbx_number_of_molecules 1
|
| 140 |
+
_entity.pdbx_ec ?
|
| 141 |
+
_entity.pdbx_mutation ?
|
| 142 |
+
_entity.pdbx_fragment 'HELIX 45 STEM-LOOP'
|
| 143 |
+
_entity.details
|
| 144 |
+
'WITHIN THE TETRALOOP ARE THREE METHYLATED NUCLEOTIDES, N(2)-METHYLGUANOSINE AND TWO N(6),N(6)-DIMETHYLADENOSINES'
|
| 145 |
+
#
|
| 146 |
+
_entity_poly.entity_id 1
|
| 147 |
+
_entity_poly.type polyribonucleotide
|
| 148 |
+
_entity_poly.nstd_linkage no
|
| 149 |
+
_entity_poly.nstd_monomer yes
|
| 150 |
+
_entity_poly.pdbx_seq_one_letter_code 'GGACC(2MG)G(MA6)(MA6)GGUCC'
|
| 151 |
+
_entity_poly.pdbx_seq_one_letter_code_can GGACCGGAAGGUCC
|
| 152 |
+
_entity_poly.pdbx_strand_id A
|
| 153 |
+
_entity_poly.pdbx_target_identifier ?
|
| 154 |
+
#
|
| 155 |
+
loop_
|
| 156 |
+
_entity_poly_seq.entity_id
|
| 157 |
+
_entity_poly_seq.num
|
| 158 |
+
_entity_poly_seq.mon_id
|
| 159 |
+
_entity_poly_seq.hetero
|
| 160 |
+
1 1 G n
|
| 161 |
+
1 2 G n
|
| 162 |
+
1 3 A n
|
| 163 |
+
1 4 C n
|
| 164 |
+
1 5 C n
|
| 165 |
+
1 6 2MG n
|
| 166 |
+
1 7 G n
|
| 167 |
+
1 8 MA6 n
|
| 168 |
+
1 9 MA6 n
|
| 169 |
+
1 10 G n
|
| 170 |
+
1 11 G n
|
| 171 |
+
1 12 U n
|
| 172 |
+
1 13 C n
|
| 173 |
+
1 14 C n
|
| 174 |
+
#
|
| 175 |
+
_pdbx_entity_src_syn.entity_id 1
|
| 176 |
+
_pdbx_entity_src_syn.pdbx_src_id 1
|
| 177 |
+
_pdbx_entity_src_syn.pdbx_alt_source_flag sample
|
| 178 |
+
_pdbx_entity_src_syn.pdbx_beg_seq_num ?
|
| 179 |
+
_pdbx_entity_src_syn.pdbx_end_seq_num ?
|
| 180 |
+
_pdbx_entity_src_syn.organism_scientific ?
|
| 181 |
+
_pdbx_entity_src_syn.organism_common_name ?
|
| 182 |
+
_pdbx_entity_src_syn.ncbi_taxonomy_id ?
|
| 183 |
+
_pdbx_entity_src_syn.details 'NUCLEOTIDES 3-12 CORRESPOND TO NATIVE SEQUENCE'
|
| 184 |
+
#
|
| 185 |
+
loop_
|
| 186 |
+
_chem_comp.id
|
| 187 |
+
_chem_comp.type
|
| 188 |
+
_chem_comp.mon_nstd_flag
|
| 189 |
+
_chem_comp.name
|
| 190 |
+
_chem_comp.pdbx_synonyms
|
| 191 |
+
_chem_comp.formula
|
| 192 |
+
_chem_comp.formula_weight
|
| 193 |
+
2MG 'RNA linking' n "2N-METHYLGUANOSINE-5'-MONOPHOSPHATE" ? 'C11 H16 N5 O8 P' 377.247
|
| 194 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 195 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 196 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 197 |
+
MA6 'RNA linking' n "6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE" ? 'C12 H18 N5 O7 P' 375.274
|
| 198 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 199 |
+
#
|
| 200 |
+
loop_
|
| 201 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 202 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 203 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 204 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 205 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 206 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 207 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 208 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 209 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 210 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 211 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 212 |
+
_pdbx_poly_seq_scheme.hetero
|
| 213 |
+
A 1 1 G 1 1 1 G G A . n
|
| 214 |
+
A 1 2 G 2 2 2 G G A . n
|
| 215 |
+
A 1 3 A 3 3 3 A A A . n
|
| 216 |
+
A 1 4 C 4 4 4 C C A . n
|
| 217 |
+
A 1 5 C 5 5 5 C C A . n
|
| 218 |
+
A 1 6 2MG 6 6 6 2MG 2MG A . n
|
| 219 |
+
A 1 7 G 7 7 7 G G A . n
|
| 220 |
+
A 1 8 MA6 8 8 8 MA6 MA6 A . n
|
| 221 |
+
A 1 9 MA6 9 9 9 MA6 MA6 A . n
|
| 222 |
+
A 1 10 G 10 10 10 G G A . n
|
| 223 |
+
A 1 11 G 11 11 11 G G A . n
|
| 224 |
+
A 1 12 U 12 12 12 U U A . n
|
| 225 |
+
A 1 13 C 13 13 13 C C A . n
|
| 226 |
+
A 1 14 C 14 14 14 C C A . n
|
| 227 |
+
#
|
| 228 |
+
loop_
|
| 229 |
+
_software.name
|
| 230 |
+
_software.classification
|
| 231 |
+
_software.version
|
| 232 |
+
_software.citation_id
|
| 233 |
+
_software.pdbx_ordinal
|
| 234 |
+
X-PLOR 'model building' . ? 1
|
| 235 |
+
X-PLOR refinement . ? 2
|
| 236 |
+
X-PLOR phasing . ? 3
|
| 237 |
+
#
|
| 238 |
+
_cell.entry_id 1WTS
|
| 239 |
+
_cell.length_a 1.000
|
| 240 |
+
_cell.length_b 1.000
|
| 241 |
+
_cell.length_c 1.000
|
| 242 |
+
_cell.angle_alpha 90.00
|
| 243 |
+
_cell.angle_beta 90.00
|
| 244 |
+
_cell.angle_gamma 90.00
|
| 245 |
+
_cell.Z_PDB 1
|
| 246 |
+
_cell.pdbx_unique_axis ?
|
| 247 |
+
#
|
| 248 |
+
_symmetry.entry_id 1WTS
|
| 249 |
+
_symmetry.space_group_name_H-M 'P 1'
|
| 250 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 251 |
+
_symmetry.cell_setting ?
|
| 252 |
+
_symmetry.Int_Tables_number 1
|
| 253 |
+
#
|
| 254 |
+
_exptl.entry_id 1WTS
|
| 255 |
+
_exptl.method 'SOLUTION NMR'
|
| 256 |
+
_exptl.crystals_number ?
|
| 257 |
+
#
|
| 258 |
+
_database_PDB_matrix.entry_id 1WTS
|
| 259 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 260 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 261 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 262 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 263 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 264 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 265 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 266 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 267 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 268 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 269 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 270 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 271 |
+
#
|
| 272 |
+
_struct.entry_id 1WTS
|
| 273 |
+
_struct.title 'HELIX 45 (16S RRNA) FROM B. STEAROTHERMOPHILUS, NMR, MINIMIZED AVERAGE STRUCTURE'
|
| 274 |
+
_struct.pdbx_model_details ?
|
| 275 |
+
_struct.pdbx_CASP_flag ?
|
| 276 |
+
_struct.pdbx_model_type_details ?
|
| 277 |
+
#
|
| 278 |
+
_struct_keywords.entry_id 1WTS
|
| 279 |
+
_struct_keywords.pdbx_keywords RNA
|
| 280 |
+
_struct_keywords.text 'RIBONUCLEIC ACID, RIBOSOME, RNA, 16S, MODIFIED NUCLEOTIDES, TETRALOOP'
|
| 281 |
+
#
|
| 282 |
+
_struct_asym.id A
|
| 283 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag N
|
| 284 |
+
_struct_asym.pdbx_modified N
|
| 285 |
+
_struct_asym.entity_id 1
|
| 286 |
+
_struct_asym.details ?
|
| 287 |
+
#
|
| 288 |
+
_struct_ref.id 1
|
| 289 |
+
_struct_ref.entity_id 1
|
| 290 |
+
_struct_ref.db_name PDB
|
| 291 |
+
_struct_ref.db_code 1WTS
|
| 292 |
+
_struct_ref.pdbx_db_accession 1WTS
|
| 293 |
+
_struct_ref.pdbx_db_isoform ?
|
| 294 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 295 |
+
_struct_ref.pdbx_align_begin ?
|
| 296 |
+
#
|
| 297 |
+
_struct_ref_seq.align_id 1
|
| 298 |
+
_struct_ref_seq.ref_id 1
|
| 299 |
+
_struct_ref_seq.pdbx_PDB_id_code 1WTS
|
| 300 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 301 |
+
_struct_ref_seq.seq_align_beg 1
|
| 302 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 303 |
+
_struct_ref_seq.seq_align_end 14
|
| 304 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 305 |
+
_struct_ref_seq.pdbx_db_accession 1WTS
|
| 306 |
+
_struct_ref_seq.db_align_beg 1
|
| 307 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 308 |
+
_struct_ref_seq.db_align_end 14
|
| 309 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 310 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 311 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 14
|
| 312 |
+
#
|
| 313 |
+
_pdbx_struct_assembly.id 1
|
| 314 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 315 |
+
_pdbx_struct_assembly.method_details ?
|
| 316 |
+
_pdbx_struct_assembly.oligomeric_details monomeric
|
| 317 |
+
_pdbx_struct_assembly.oligomeric_count 1
|
| 318 |
+
#
|
| 319 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 320 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 321 |
+
_pdbx_struct_assembly_gen.asym_id_list A
|
| 322 |
+
#
|
| 323 |
+
_pdbx_struct_oper_list.id 1
|
| 324 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 325 |
+
_pdbx_struct_oper_list.name 1_555
|
| 326 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 327 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 328 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 329 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 330 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 331 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 332 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 333 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 334 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 335 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 336 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 337 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 338 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 339 |
+
#
|
| 340 |
+
_struct_biol.id 1
|
| 341 |
+
#
|
| 342 |
+
loop_
|
| 343 |
+
_struct_conn.id
|
| 344 |
+
_struct_conn.conn_type_id
|
| 345 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 346 |
+
_struct_conn.pdbx_PDB_id
|
| 347 |
+
_struct_conn.ptnr1_label_asym_id
|
| 348 |
+
_struct_conn.ptnr1_label_comp_id
|
| 349 |
+
_struct_conn.ptnr1_label_seq_id
|
| 350 |
+
_struct_conn.ptnr1_label_atom_id
|
| 351 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 352 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 353 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 354 |
+
_struct_conn.ptnr1_symmetry
|
| 355 |
+
_struct_conn.ptnr2_label_asym_id
|
| 356 |
+
_struct_conn.ptnr2_label_comp_id
|
| 357 |
+
_struct_conn.ptnr2_label_seq_id
|
| 358 |
+
_struct_conn.ptnr2_label_atom_id
|
| 359 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 360 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 361 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 362 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 363 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 364 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 365 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 366 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 367 |
+
_struct_conn.ptnr2_symmetry
|
| 368 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 369 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 370 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 371 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 372 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 373 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 374 |
+
_struct_conn.details
|
| 375 |
+
_struct_conn.pdbx_dist_value
|
| 376 |
+
_struct_conn.pdbx_value_order
|
| 377 |
+
_struct_conn.pdbx_role
|
| 378 |
+
covale1 covale both ? A C 5 "O3'" ? ? ? 1_555 A 2MG 6 P ? ? A C 5 A 2MG 6 1_555 ? ? ? ? ? ? ? 1.615 ? ?
|
| 379 |
+
covale2 covale both ? A 2MG 6 "O3'" ? ? ? 1_555 A G 7 P ? ? A 2MG 6 A G 7 1_555 ? ? ? ? ? ? ? 1.613 ? ?
|
| 380 |
+
covale3 covale both ? A G 7 "O3'" ? ? ? 1_555 A MA6 8 P ? ? A G 7 A MA6 8 1_555 ? ? ? ? ? ? ? 1.620 ? ?
|
| 381 |
+
covale4 covale both ? A MA6 8 "O3'" ? ? ? 1_555 A MA6 9 P ? ? A MA6 8 A MA6 9 1_555 ? ? ? ? ? ? ? 1.612 ? ?
|
| 382 |
+
covale5 covale both ? A MA6 9 "O3'" ? ? ? 1_555 A G 10 P ? ? A MA6 9 A G 10 1_555 ? ? ? ? ? ? ? 1.611 ? ?
|
| 383 |
+
hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 14 N3 ? ? A G 1 A C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 384 |
+
hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 14 O2 ? ? A G 1 A C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 385 |
+
hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 14 N4 ? ? A G 1 A C 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 386 |
+
hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 13 N3 ? ? A G 2 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 387 |
+
hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 13 O2 ? ? A G 2 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 388 |
+
hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 13 N4 ? ? A G 2 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 389 |
+
hydrog7 hydrog ? ? A A 3 N1 ? ? ? 1_555 A U 12 N3 ? ? A A 3 A U 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 390 |
+
hydrog8 hydrog ? ? A A 3 N6 ? ? ? 1_555 A U 12 O4 ? ? A A 3 A U 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 391 |
+
hydrog9 hydrog ? ? A C 4 N3 ? ? ? 1_555 A G 11 N1 ? ? A C 4 A G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 392 |
+
hydrog10 hydrog ? ? A C 4 N4 ? ? ? 1_555 A G 11 O6 ? ? A C 4 A G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 393 |
+
hydrog11 hydrog ? ? A C 4 O2 ? ? ? 1_555 A G 11 N2 ? ? A C 4 A G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 394 |
+
hydrog12 hydrog ? ? A C 5 N3 ? ? ? 1_555 A G 10 N1 ? ? A C 5 A G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 395 |
+
hydrog13 hydrog ? ? A C 5 N4 ? ? ? 1_555 A G 10 O6 ? ? A C 5 A G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 396 |
+
hydrog14 hydrog ? ? A C 5 O2 ? ? ? 1_555 A G 10 N2 ? ? A C 5 A G 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 397 |
+
hydrog15 hydrog ? ? A 2MG 6 N2 ? ? ? 1_555 A MA6 9 N7 ? ? A 2MG 6 A MA6 9 1_555 ? ? ? ? ? ? '2MG-MA6 MISPAIR' ? ? ?
|
| 398 |
+
#
|
| 399 |
+
loop_
|
| 400 |
+
_struct_conn_type.id
|
| 401 |
+
_struct_conn_type.criteria
|
| 402 |
+
_struct_conn_type.reference
|
| 403 |
+
covale ? ?
|
| 404 |
+
hydrog ? ?
|
| 405 |
+
#
|
| 406 |
+
_pdbx_validate_close_contact.id 1
|
| 407 |
+
_pdbx_validate_close_contact.PDB_model_num 1
|
| 408 |
+
_pdbx_validate_close_contact.auth_atom_id_1 "HO2'"
|
| 409 |
+
_pdbx_validate_close_contact.auth_asym_id_1 A
|
| 410 |
+
_pdbx_validate_close_contact.auth_comp_id_1 G
|
| 411 |
+
_pdbx_validate_close_contact.auth_seq_id_1 1
|
| 412 |
+
_pdbx_validate_close_contact.PDB_ins_code_1 ?
|
| 413 |
+
_pdbx_validate_close_contact.label_alt_id_1 ?
|
| 414 |
+
_pdbx_validate_close_contact.auth_atom_id_2 "O4'"
|
| 415 |
+
_pdbx_validate_close_contact.auth_asym_id_2 A
|
| 416 |
+
_pdbx_validate_close_contact.auth_comp_id_2 G
|
| 417 |
+
_pdbx_validate_close_contact.auth_seq_id_2 2
|
| 418 |
+
_pdbx_validate_close_contact.PDB_ins_code_2 ?
|
| 419 |
+
_pdbx_validate_close_contact.label_alt_id_2 ?
|
| 420 |
+
_pdbx_validate_close_contact.dist 1.57
|
| 421 |
+
#
|
| 422 |
+
loop_
|
| 423 |
+
_pdbx_validate_rmsd_angle.id
|
| 424 |
+
_pdbx_validate_rmsd_angle.PDB_model_num
|
| 425 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1
|
| 426 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1
|
| 427 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1
|
| 428 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1
|
| 429 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1
|
| 430 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1
|
| 431 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2
|
| 432 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2
|
| 433 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2
|
| 434 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2
|
| 435 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2
|
| 436 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2
|
| 437 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3
|
| 438 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3
|
| 439 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3
|
| 440 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3
|
| 441 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3
|
| 442 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3
|
| 443 |
+
_pdbx_validate_rmsd_angle.angle_value
|
| 444 |
+
_pdbx_validate_rmsd_angle.angle_target_value
|
| 445 |
+
_pdbx_validate_rmsd_angle.angle_deviation
|
| 446 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation
|
| 447 |
+
_pdbx_validate_rmsd_angle.linker_flag
|
| 448 |
+
1 1 N1 A G 2 ? ? C2 A G 2 ? ? N3 A G 2 ? ? 127.99 123.90 4.09 0.60 N
|
| 449 |
+
2 1 N3 A G 2 ? ? C2 A G 2 ? ? N2 A G 2 ? ? 113.84 119.90 -6.06 0.70 N
|
| 450 |
+
3 1 "C3'" A A 3 ? ? "C2'" A A 3 ? ? "C1'" A A 3 ? ? 96.78 101.30 -4.52 0.70 N
|
| 451 |
+
4 1 C6 A C 4 ? ? N1 A C 4 ? ? C2 A C 4 ? ? 117.49 120.30 -2.81 0.40 N
|
| 452 |
+
5 1 "O4'" A C 5 ? ? "C1'" A C 5 ? ? N1 A C 5 ? ? 113.52 108.50 5.02 0.70 N
|
| 453 |
+
6 1 C6 A C 5 ? ? N1 A C 5 ? ? C2 A C 5 ? ? 117.82 120.30 -2.48 0.40 N
|
| 454 |
+
7 1 N3 A C 5 ? ? C2 A C 5 ? ? O2 A C 5 ? ? 117.66 121.90 -4.24 0.70 N
|
| 455 |
+
8 1 N3 A C 5 ? ? C4 A C 5 ? ? N4 A C 5 ? ? 113.52 118.00 -4.48 0.70 N
|
| 456 |
+
9 1 N1 A G 7 ? ? C2 A G 7 ? ? N3 A G 7 ? ? 127.62 123.90 3.72 0.60 N
|
| 457 |
+
10 1 N3 A G 7 ? ? C2 A G 7 ? ? N2 A G 7 ? ? 114.31 119.90 -5.59 0.70 N
|
| 458 |
+
11 1 N1 A G 7 ? ? C6 A G 7 ? ? O6 A G 7 ? ? 115.51 119.90 -4.39 0.60 N
|
| 459 |
+
12 1 "C5'" A G 10 ? ? "C4'" A G 10 ? ? "O4'" A G 10 ? ? 115.81 109.80 6.01 0.90 N
|
| 460 |
+
13 1 N3 A G 10 ? ? C2 A G 10 ? ? N2 A G 10 ? ? 114.69 119.90 -5.21 0.70 N
|
| 461 |
+
14 1 N1 A G 10 ? ? C6 A G 10 ? ? O6 A G 10 ? ? 116.26 119.90 -3.64 0.60 N
|
| 462 |
+
15 1 "C3'" A G 11 ? ? "C2'" A G 11 ? ? "C1'" A G 11 ? ? 96.27 101.30 -5.03 0.70 N
|
| 463 |
+
16 1 N1 A G 11 ? ? C2 A G 11 ? ? N3 A G 11 ? ? 127.59 123.90 3.69 0.60 N
|
| 464 |
+
17 1 N1 A G 11 ? ? C6 A G 11 ? ? O6 A G 11 ? ? 116.06 119.90 -3.84 0.60 N
|
| 465 |
+
18 1 N3 A C 13 ? ? C4 A C 13 ? ? C5 A C 13 ? ? 124.71 121.90 2.81 0.40 N
|
| 466 |
+
19 1 "O4'" A C 14 ? ? "C1'" A C 14 ? ? N1 A C 14 ? ? 118.28 108.50 9.78 0.70 N
|
| 467 |
+
20 1 N3 A C 14 ? ? C4 A C 14 ? ? C5 A C 14 ? ? 124.72 121.90 2.82 0.40 N
|
| 468 |
+
#
|
| 469 |
+
loop_
|
| 470 |
+
_pdbx_struct_mod_residue.id
|
| 471 |
+
_pdbx_struct_mod_residue.label_asym_id
|
| 472 |
+
_pdbx_struct_mod_residue.label_comp_id
|
| 473 |
+
_pdbx_struct_mod_residue.label_seq_id
|
| 474 |
+
_pdbx_struct_mod_residue.auth_asym_id
|
| 475 |
+
_pdbx_struct_mod_residue.auth_comp_id
|
| 476 |
+
_pdbx_struct_mod_residue.auth_seq_id
|
| 477 |
+
_pdbx_struct_mod_residue.PDB_ins_code
|
| 478 |
+
_pdbx_struct_mod_residue.parent_comp_id
|
| 479 |
+
_pdbx_struct_mod_residue.details
|
| 480 |
+
1 A 2MG 6 A 2MG 6 ? G "2N-METHYLGUANOSINE-5'-MONOPHOSPHATE"
|
| 481 |
+
2 A MA6 8 A MA6 8 ? A "6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE"
|
| 482 |
+
3 A MA6 9 A MA6 9 ? A "6N-DIMETHYLADENOSINE-5'-MONOPHOSHATE"
|
| 483 |
+
#
|
| 484 |
+
_pdbx_nmr_ensemble.entry_id 1WTS
|
| 485 |
+
_pdbx_nmr_ensemble.conformers_calculated_total_number 1
|
| 486 |
+
_pdbx_nmr_ensemble.conformers_submitted_total_number 1
|
| 487 |
+
_pdbx_nmr_ensemble.conformer_selection_criteria 'NO RESTRAINT VIOLATION'
|
| 488 |
+
#
|
| 489 |
+
_pdbx_nmr_representative.entry_id 1WTS
|
| 490 |
+
_pdbx_nmr_representative.conformer_id 1
|
| 491 |
+
_pdbx_nmr_representative.selection_criteria ?
|
| 492 |
+
#
|
| 493 |
+
_pdbx_nmr_sample_details.solution_id 1
|
| 494 |
+
_pdbx_nmr_sample_details.contents WATER
|
| 495 |
+
#
|
| 496 |
+
_pdbx_nmr_exptl_sample_conditions.conditions_id 1
|
| 497 |
+
_pdbx_nmr_exptl_sample_conditions.temperature 303
|
| 498 |
+
_pdbx_nmr_exptl_sample_conditions.pressure 1
|
| 499 |
+
_pdbx_nmr_exptl_sample_conditions.pH 6.5
|
| 500 |
+
_pdbx_nmr_exptl_sample_conditions.ionic_strength '50 mM NACL'
|
| 501 |
+
_pdbx_nmr_exptl_sample_conditions.pressure_units atm
|
| 502 |
+
_pdbx_nmr_exptl_sample_conditions.temperature_units K
|
| 503 |
+
#
|
| 504 |
+
loop_
|
| 505 |
+
_pdbx_nmr_exptl.experiment_id
|
| 506 |
+
_pdbx_nmr_exptl.conditions_id
|
| 507 |
+
_pdbx_nmr_exptl.type
|
| 508 |
+
_pdbx_nmr_exptl.solution_id
|
| 509 |
+
1 1 NOESY 1
|
| 510 |
+
2 1 COSY 1
|
| 511 |
+
3 1 '1H-31P HCOSY' 1
|
| 512 |
+
4 1 '1H-31P HTOCSY' 1
|
| 513 |
+
5 1 '1H-31P HTOCSY-NOESY' 1
|
| 514 |
+
6 1 '1H-13C HMQC' 1
|
| 515 |
+
#
|
| 516 |
+
_pdbx_nmr_details.entry_id 1WTS
|
| 517 |
+
_pdbx_nmr_details.text
|
| 518 |
+
;THIS REPRESENTATIVE MODEL WAS DETERMINED WITH A VARIETY OF TWO-DIMENSIONAL HOMONUCLEAR AND HETERONUCLEAR NMR SPECTROSCOPY ON AN UNLABELED MOLECULE.
|
| 519 |
+
;
|
| 520 |
+
#
|
| 521 |
+
_pdbx_nmr_refine.entry_id 1WTS
|
| 522 |
+
_pdbx_nmr_refine.method 'TORSIONAL ANGLE MOLECULAR DYNAMICS, MOLECULAR DYNAMICS'
|
| 523 |
+
_pdbx_nmr_refine.details ?
|
| 524 |
+
_pdbx_nmr_refine.software_ordinal 1
|
| 525 |
+
#
|
| 526 |
+
loop_
|
| 527 |
+
_pdbx_nmr_software.classification
|
| 528 |
+
_pdbx_nmr_software.name
|
| 529 |
+
_pdbx_nmr_software.version
|
| 530 |
+
_pdbx_nmr_software.authors
|
| 531 |
+
_pdbx_nmr_software.ordinal
|
| 532 |
+
refinement X-PLOR ? BRUNGER 1
|
| 533 |
+
'structure solution' X-PLOR ? ? 2
|
| 534 |
+
#
|
| 535 |
+
loop_
|
| 536 |
+
_chem_comp_atom.comp_id
|
| 537 |
+
_chem_comp_atom.atom_id
|
| 538 |
+
_chem_comp_atom.type_symbol
|
| 539 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 540 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 541 |
+
_chem_comp_atom.pdbx_ordinal
|
| 542 |
+
2MG P P N N 1
|
| 543 |
+
2MG OP1 O N N 2
|
| 544 |
+
2MG OP2 O N N 3
|
| 545 |
+
2MG OP3 O N N 4
|
| 546 |
+
2MG "O5'" O N N 5
|
| 547 |
+
2MG "C5'" C N N 6
|
| 548 |
+
2MG "C4'" C N R 7
|
| 549 |
+
2MG "O4'" O N N 8
|
| 550 |
+
2MG "C3'" C N S 9
|
| 551 |
+
2MG "O3'" O N N 10
|
| 552 |
+
2MG "C2'" C N R 11
|
| 553 |
+
2MG "O2'" O N N 12
|
| 554 |
+
2MG "C1'" C N R 13
|
| 555 |
+
2MG N9 N Y N 14
|
| 556 |
+
2MG C8 C Y N 15
|
| 557 |
+
2MG N7 N Y N 16
|
| 558 |
+
2MG C5 C Y N 17
|
| 559 |
+
2MG C6 C N N 18
|
| 560 |
+
2MG O6 O N N 19
|
| 561 |
+
2MG N1 N N N 20
|
| 562 |
+
2MG C2 C N N 21
|
| 563 |
+
2MG N2 N N N 22
|
| 564 |
+
2MG CM2 C N N 23
|
| 565 |
+
2MG N3 N N N 24
|
| 566 |
+
2MG C4 C Y N 25
|
| 567 |
+
2MG HOP2 H N N 26
|
| 568 |
+
2MG HOP3 H N N 27
|
| 569 |
+
2MG "H5'" H N N 28
|
| 570 |
+
2MG "H5''" H N N 29
|
| 571 |
+
2MG "H4'" H N N 30
|
| 572 |
+
2MG "H3'" H N N 31
|
| 573 |
+
2MG "HO3'" H N N 32
|
| 574 |
+
2MG "H2'" H N N 33
|
| 575 |
+
2MG "HO2'" H N N 34
|
| 576 |
+
2MG "H1'" H N N 35
|
| 577 |
+
2MG H8 H N N 36
|
| 578 |
+
2MG HN1 H N N 37
|
| 579 |
+
2MG HN2 H N N 38
|
| 580 |
+
2MG HM21 H N N 39
|
| 581 |
+
2MG HM22 H N N 40
|
| 582 |
+
2MG HM23 H N N 41
|
| 583 |
+
A OP3 O N N 42
|
| 584 |
+
A P P N N 43
|
| 585 |
+
A OP1 O N N 44
|
| 586 |
+
A OP2 O N N 45
|
| 587 |
+
A "O5'" O N N 46
|
| 588 |
+
A "C5'" C N N 47
|
| 589 |
+
A "C4'" C N R 48
|
| 590 |
+
A "O4'" O N N 49
|
| 591 |
+
A "C3'" C N S 50
|
| 592 |
+
A "O3'" O N N 51
|
| 593 |
+
A "C2'" C N R 52
|
| 594 |
+
A "O2'" O N N 53
|
| 595 |
+
A "C1'" C N R 54
|
| 596 |
+
A N9 N Y N 55
|
| 597 |
+
A C8 C Y N 56
|
| 598 |
+
A N7 N Y N 57
|
| 599 |
+
A C5 C Y N 58
|
| 600 |
+
A C6 C Y N 59
|
| 601 |
+
A N6 N N N 60
|
| 602 |
+
A N1 N Y N 61
|
| 603 |
+
A C2 C Y N 62
|
| 604 |
+
A N3 N Y N 63
|
| 605 |
+
A C4 C Y N 64
|
| 606 |
+
A HOP3 H N N 65
|
| 607 |
+
A HOP2 H N N 66
|
| 608 |
+
A "H5'" H N N 67
|
| 609 |
+
A "H5''" H N N 68
|
| 610 |
+
A "H4'" H N N 69
|
| 611 |
+
A "H3'" H N N 70
|
| 612 |
+
A "HO3'" H N N 71
|
| 613 |
+
A "H2'" H N N 72
|
| 614 |
+
A "HO2'" H N N 73
|
| 615 |
+
A "H1'" H N N 74
|
| 616 |
+
A H8 H N N 75
|
| 617 |
+
A H61 H N N 76
|
| 618 |
+
A H62 H N N 77
|
| 619 |
+
A H2 H N N 78
|
| 620 |
+
C OP3 O N N 79
|
| 621 |
+
C P P N N 80
|
| 622 |
+
C OP1 O N N 81
|
| 623 |
+
C OP2 O N N 82
|
| 624 |
+
C "O5'" O N N 83
|
| 625 |
+
C "C5'" C N N 84
|
| 626 |
+
C "C4'" C N R 85
|
| 627 |
+
C "O4'" O N N 86
|
| 628 |
+
C "C3'" C N S 87
|
| 629 |
+
C "O3'" O N N 88
|
| 630 |
+
C "C2'" C N R 89
|
| 631 |
+
C "O2'" O N N 90
|
| 632 |
+
C "C1'" C N R 91
|
| 633 |
+
C N1 N N N 92
|
| 634 |
+
C C2 C N N 93
|
| 635 |
+
C O2 O N N 94
|
| 636 |
+
C N3 N N N 95
|
| 637 |
+
C C4 C N N 96
|
| 638 |
+
C N4 N N N 97
|
| 639 |
+
C C5 C N N 98
|
| 640 |
+
C C6 C N N 99
|
| 641 |
+
C HOP3 H N N 100
|
| 642 |
+
C HOP2 H N N 101
|
| 643 |
+
C "H5'" H N N 102
|
| 644 |
+
C "H5''" H N N 103
|
| 645 |
+
C "H4'" H N N 104
|
| 646 |
+
C "H3'" H N N 105
|
| 647 |
+
C "HO3'" H N N 106
|
| 648 |
+
C "H2'" H N N 107
|
| 649 |
+
C "HO2'" H N N 108
|
| 650 |
+
C "H1'" H N N 109
|
| 651 |
+
C H41 H N N 110
|
| 652 |
+
C H42 H N N 111
|
| 653 |
+
C H5 H N N 112
|
| 654 |
+
C H6 H N N 113
|
| 655 |
+
G OP3 O N N 114
|
| 656 |
+
G P P N N 115
|
| 657 |
+
G OP1 O N N 116
|
| 658 |
+
G OP2 O N N 117
|
| 659 |
+
G "O5'" O N N 118
|
| 660 |
+
G "C5'" C N N 119
|
| 661 |
+
G "C4'" C N R 120
|
| 662 |
+
G "O4'" O N N 121
|
| 663 |
+
G "C3'" C N S 122
|
| 664 |
+
G "O3'" O N N 123
|
| 665 |
+
G "C2'" C N R 124
|
| 666 |
+
G "O2'" O N N 125
|
| 667 |
+
G "C1'" C N R 126
|
| 668 |
+
G N9 N Y N 127
|
| 669 |
+
G C8 C Y N 128
|
| 670 |
+
G N7 N Y N 129
|
| 671 |
+
G C5 C Y N 130
|
| 672 |
+
G C6 C N N 131
|
| 673 |
+
G O6 O N N 132
|
| 674 |
+
G N1 N N N 133
|
| 675 |
+
G C2 C N N 134
|
| 676 |
+
G N2 N N N 135
|
| 677 |
+
G N3 N N N 136
|
| 678 |
+
G C4 C Y N 137
|
| 679 |
+
G HOP3 H N N 138
|
| 680 |
+
G HOP2 H N N 139
|
| 681 |
+
G "H5'" H N N 140
|
| 682 |
+
G "H5''" H N N 141
|
| 683 |
+
G "H4'" H N N 142
|
| 684 |
+
G "H3'" H N N 143
|
| 685 |
+
G "HO3'" H N N 144
|
| 686 |
+
G "H2'" H N N 145
|
| 687 |
+
G "HO2'" H N N 146
|
| 688 |
+
G "H1'" H N N 147
|
| 689 |
+
G H8 H N N 148
|
| 690 |
+
G H1 H N N 149
|
| 691 |
+
G H21 H N N 150
|
| 692 |
+
G H22 H N N 151
|
| 693 |
+
MA6 C2 C Y N 152
|
| 694 |
+
MA6 C4 C Y N 153
|
| 695 |
+
MA6 C5 C Y N 154
|
| 696 |
+
MA6 P P N N 155
|
| 697 |
+
MA6 OP1 O N N 156
|
| 698 |
+
MA6 OP2 O N N 157
|
| 699 |
+
MA6 OP3 O N N 158
|
| 700 |
+
MA6 "O5'" O N N 159
|
| 701 |
+
MA6 "C5'" C N N 160
|
| 702 |
+
MA6 "C4'" C N R 161
|
| 703 |
+
MA6 "O4'" O N N 162
|
| 704 |
+
MA6 "C1'" C N R 163
|
| 705 |
+
MA6 N9 N Y N 164
|
| 706 |
+
MA6 N3 N Y N 165
|
| 707 |
+
MA6 N1 N Y N 166
|
| 708 |
+
MA6 C6 C Y N 167
|
| 709 |
+
MA6 N6 N N N 168
|
| 710 |
+
MA6 C9 C N N 169
|
| 711 |
+
MA6 C10 C N N 170
|
| 712 |
+
MA6 N7 N Y N 171
|
| 713 |
+
MA6 C8 C Y N 172
|
| 714 |
+
MA6 "C2'" C N R 173
|
| 715 |
+
MA6 "O2'" O N N 174
|
| 716 |
+
MA6 "C3'" C N S 175
|
| 717 |
+
MA6 "O3'" O N N 176
|
| 718 |
+
MA6 H2 H N N 177
|
| 719 |
+
MA6 HOP2 H N N 178
|
| 720 |
+
MA6 "H5'" H N N 179
|
| 721 |
+
MA6 "H5''" H N N 180
|
| 722 |
+
MA6 "H4'" H N N 181
|
| 723 |
+
MA6 "H1'" H N N 182
|
| 724 |
+
MA6 H91 H N N 183
|
| 725 |
+
MA6 H92 H N N 184
|
| 726 |
+
MA6 H93 H N N 185
|
| 727 |
+
MA6 H101 H N N 186
|
| 728 |
+
MA6 H102 H N N 187
|
| 729 |
+
MA6 H103 H N N 188
|
| 730 |
+
MA6 H8 H N N 189
|
| 731 |
+
MA6 "H2'" H N N 190
|
| 732 |
+
MA6 "HO2'" H N N 191
|
| 733 |
+
MA6 "H3'" H N N 192
|
| 734 |
+
MA6 "HO3'" H N N 193
|
| 735 |
+
MA6 HOP3 H N N 194
|
| 736 |
+
U OP3 O N N 195
|
| 737 |
+
U P P N N 196
|
| 738 |
+
U OP1 O N N 197
|
| 739 |
+
U OP2 O N N 198
|
| 740 |
+
U "O5'" O N N 199
|
| 741 |
+
U "C5'" C N N 200
|
| 742 |
+
U "C4'" C N R 201
|
| 743 |
+
U "O4'" O N N 202
|
| 744 |
+
U "C3'" C N S 203
|
| 745 |
+
U "O3'" O N N 204
|
| 746 |
+
U "C2'" C N R 205
|
| 747 |
+
U "O2'" O N N 206
|
| 748 |
+
U "C1'" C N R 207
|
| 749 |
+
U N1 N N N 208
|
| 750 |
+
U C2 C N N 209
|
| 751 |
+
U O2 O N N 210
|
| 752 |
+
U N3 N N N 211
|
| 753 |
+
U C4 C N N 212
|
| 754 |
+
U O4 O N N 213
|
| 755 |
+
U C5 C N N 214
|
| 756 |
+
U C6 C N N 215
|
| 757 |
+
U HOP3 H N N 216
|
| 758 |
+
U HOP2 H N N 217
|
| 759 |
+
U "H5'" H N N 218
|
| 760 |
+
U "H5''" H N N 219
|
| 761 |
+
U "H4'" H N N 220
|
| 762 |
+
U "H3'" H N N 221
|
| 763 |
+
U "HO3'" H N N 222
|
| 764 |
+
U "H2'" H N N 223
|
| 765 |
+
U "HO2'" H N N 224
|
| 766 |
+
U "H1'" H N N 225
|
| 767 |
+
U H3 H N N 226
|
| 768 |
+
U H5 H N N 227
|
| 769 |
+
U H6 H N N 228
|
| 770 |
+
#
|
| 771 |
+
loop_
|
| 772 |
+
_chem_comp_bond.comp_id
|
| 773 |
+
_chem_comp_bond.atom_id_1
|
| 774 |
+
_chem_comp_bond.atom_id_2
|
| 775 |
+
_chem_comp_bond.value_order
|
| 776 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 777 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 778 |
+
_chem_comp_bond.pdbx_ordinal
|
| 779 |
+
2MG P OP1 doub N N 1
|
| 780 |
+
2MG P OP2 sing N N 2
|
| 781 |
+
2MG P OP3 sing N N 3
|
| 782 |
+
2MG P "O5'" sing N N 4
|
| 783 |
+
2MG OP2 HOP2 sing N N 5
|
| 784 |
+
2MG OP3 HOP3 sing N N 6
|
| 785 |
+
2MG "O5'" "C5'" sing N N 7
|
| 786 |
+
2MG "C5'" "C4'" sing N N 8
|
| 787 |
+
2MG "C5'" "H5'" sing N N 9
|
| 788 |
+
2MG "C5'" "H5''" sing N N 10
|
| 789 |
+
2MG "C4'" "O4'" sing N N 11
|
| 790 |
+
2MG "C4'" "C3'" sing N N 12
|
| 791 |
+
2MG "C4'" "H4'" sing N N 13
|
| 792 |
+
2MG "O4'" "C1'" sing N N 14
|
| 793 |
+
2MG "C3'" "O3'" sing N N 15
|
| 794 |
+
2MG "C3'" "C2'" sing N N 16
|
| 795 |
+
2MG "C3'" "H3'" sing N N 17
|
| 796 |
+
2MG "O3'" "HO3'" sing N N 18
|
| 797 |
+
2MG "C2'" "O2'" sing N N 19
|
| 798 |
+
2MG "C2'" "C1'" sing N N 20
|
| 799 |
+
2MG "C2'" "H2'" sing N N 21
|
| 800 |
+
2MG "O2'" "HO2'" sing N N 22
|
| 801 |
+
2MG "C1'" N9 sing N N 23
|
| 802 |
+
2MG "C1'" "H1'" sing N N 24
|
| 803 |
+
2MG N9 C8 sing Y N 25
|
| 804 |
+
2MG N9 C4 sing Y N 26
|
| 805 |
+
2MG C8 N7 doub Y N 27
|
| 806 |
+
2MG C8 H8 sing N N 28
|
| 807 |
+
2MG N7 C5 sing Y N 29
|
| 808 |
+
2MG C5 C6 sing N N 30
|
| 809 |
+
2MG C5 C4 doub Y N 31
|
| 810 |
+
2MG C6 O6 doub N N 32
|
| 811 |
+
2MG C6 N1 sing N N 33
|
| 812 |
+
2MG N1 C2 sing N N 34
|
| 813 |
+
2MG N1 HN1 sing N N 35
|
| 814 |
+
2MG C2 N2 sing N N 36
|
| 815 |
+
2MG C2 N3 doub N N 37
|
| 816 |
+
2MG N2 CM2 sing N N 38
|
| 817 |
+
2MG N2 HN2 sing N N 39
|
| 818 |
+
2MG CM2 HM21 sing N N 40
|
| 819 |
+
2MG CM2 HM22 sing N N 41
|
| 820 |
+
2MG CM2 HM23 sing N N 42
|
| 821 |
+
2MG N3 C4 sing N N 43
|
| 822 |
+
A OP3 P sing N N 44
|
| 823 |
+
A OP3 HOP3 sing N N 45
|
| 824 |
+
A P OP1 doub N N 46
|
| 825 |
+
A P OP2 sing N N 47
|
| 826 |
+
A P "O5'" sing N N 48
|
| 827 |
+
A OP2 HOP2 sing N N 49
|
| 828 |
+
A "O5'" "C5'" sing N N 50
|
| 829 |
+
A "C5'" "C4'" sing N N 51
|
| 830 |
+
A "C5'" "H5'" sing N N 52
|
| 831 |
+
A "C5'" "H5''" sing N N 53
|
| 832 |
+
A "C4'" "O4'" sing N N 54
|
| 833 |
+
A "C4'" "C3'" sing N N 55
|
| 834 |
+
A "C4'" "H4'" sing N N 56
|
| 835 |
+
A "O4'" "C1'" sing N N 57
|
| 836 |
+
A "C3'" "O3'" sing N N 58
|
| 837 |
+
A "C3'" "C2'" sing N N 59
|
| 838 |
+
A "C3'" "H3'" sing N N 60
|
| 839 |
+
A "O3'" "HO3'" sing N N 61
|
| 840 |
+
A "C2'" "O2'" sing N N 62
|
| 841 |
+
A "C2'" "C1'" sing N N 63
|
| 842 |
+
A "C2'" "H2'" sing N N 64
|
| 843 |
+
A "O2'" "HO2'" sing N N 65
|
| 844 |
+
A "C1'" N9 sing N N 66
|
| 845 |
+
A "C1'" "H1'" sing N N 67
|
| 846 |
+
A N9 C8 sing Y N 68
|
| 847 |
+
A N9 C4 sing Y N 69
|
| 848 |
+
A C8 N7 doub Y N 70
|
| 849 |
+
A C8 H8 sing N N 71
|
| 850 |
+
A N7 C5 sing Y N 72
|
| 851 |
+
A C5 C6 sing Y N 73
|
| 852 |
+
A C5 C4 doub Y N 74
|
| 853 |
+
A C6 N6 sing N N 75
|
| 854 |
+
A C6 N1 doub Y N 76
|
| 855 |
+
A N6 H61 sing N N 77
|
| 856 |
+
A N6 H62 sing N N 78
|
| 857 |
+
A N1 C2 sing Y N 79
|
| 858 |
+
A C2 N3 doub Y N 80
|
| 859 |
+
A C2 H2 sing N N 81
|
| 860 |
+
A N3 C4 sing Y N 82
|
| 861 |
+
C OP3 P sing N N 83
|
| 862 |
+
C OP3 HOP3 sing N N 84
|
| 863 |
+
C P OP1 doub N N 85
|
| 864 |
+
C P OP2 sing N N 86
|
| 865 |
+
C P "O5'" sing N N 87
|
| 866 |
+
C OP2 HOP2 sing N N 88
|
| 867 |
+
C "O5'" "C5'" sing N N 89
|
| 868 |
+
C "C5'" "C4'" sing N N 90
|
| 869 |
+
C "C5'" "H5'" sing N N 91
|
| 870 |
+
C "C5'" "H5''" sing N N 92
|
| 871 |
+
C "C4'" "O4'" sing N N 93
|
| 872 |
+
C "C4'" "C3'" sing N N 94
|
| 873 |
+
C "C4'" "H4'" sing N N 95
|
| 874 |
+
C "O4'" "C1'" sing N N 96
|
| 875 |
+
C "C3'" "O3'" sing N N 97
|
| 876 |
+
C "C3'" "C2'" sing N N 98
|
| 877 |
+
C "C3'" "H3'" sing N N 99
|
| 878 |
+
C "O3'" "HO3'" sing N N 100
|
| 879 |
+
C "C2'" "O2'" sing N N 101
|
| 880 |
+
C "C2'" "C1'" sing N N 102
|
| 881 |
+
C "C2'" "H2'" sing N N 103
|
| 882 |
+
C "O2'" "HO2'" sing N N 104
|
| 883 |
+
C "C1'" N1 sing N N 105
|
| 884 |
+
C "C1'" "H1'" sing N N 106
|
| 885 |
+
C N1 C2 sing N N 107
|
| 886 |
+
C N1 C6 sing N N 108
|
| 887 |
+
C C2 O2 doub N N 109
|
| 888 |
+
C C2 N3 sing N N 110
|
| 889 |
+
C N3 C4 doub N N 111
|
| 890 |
+
C C4 N4 sing N N 112
|
| 891 |
+
C C4 C5 sing N N 113
|
| 892 |
+
C N4 H41 sing N N 114
|
| 893 |
+
C N4 H42 sing N N 115
|
| 894 |
+
C C5 C6 doub N N 116
|
| 895 |
+
C C5 H5 sing N N 117
|
| 896 |
+
C C6 H6 sing N N 118
|
| 897 |
+
G OP3 P sing N N 119
|
| 898 |
+
G OP3 HOP3 sing N N 120
|
| 899 |
+
G P OP1 doub N N 121
|
| 900 |
+
G P OP2 sing N N 122
|
| 901 |
+
G P "O5'" sing N N 123
|
| 902 |
+
G OP2 HOP2 sing N N 124
|
| 903 |
+
G "O5'" "C5'" sing N N 125
|
| 904 |
+
G "C5'" "C4'" sing N N 126
|
| 905 |
+
G "C5'" "H5'" sing N N 127
|
| 906 |
+
G "C5'" "H5''" sing N N 128
|
| 907 |
+
G "C4'" "O4'" sing N N 129
|
| 908 |
+
G "C4'" "C3'" sing N N 130
|
| 909 |
+
G "C4'" "H4'" sing N N 131
|
| 910 |
+
G "O4'" "C1'" sing N N 132
|
| 911 |
+
G "C3'" "O3'" sing N N 133
|
| 912 |
+
G "C3'" "C2'" sing N N 134
|
| 913 |
+
G "C3'" "H3'" sing N N 135
|
| 914 |
+
G "O3'" "HO3'" sing N N 136
|
| 915 |
+
G "C2'" "O2'" sing N N 137
|
| 916 |
+
G "C2'" "C1'" sing N N 138
|
| 917 |
+
G "C2'" "H2'" sing N N 139
|
| 918 |
+
G "O2'" "HO2'" sing N N 140
|
| 919 |
+
G "C1'" N9 sing N N 141
|
| 920 |
+
G "C1'" "H1'" sing N N 142
|
| 921 |
+
G N9 C8 sing Y N 143
|
| 922 |
+
G N9 C4 sing Y N 144
|
| 923 |
+
G C8 N7 doub Y N 145
|
| 924 |
+
G C8 H8 sing N N 146
|
| 925 |
+
G N7 C5 sing Y N 147
|
| 926 |
+
G C5 C6 sing N N 148
|
| 927 |
+
G C5 C4 doub Y N 149
|
| 928 |
+
G C6 O6 doub N N 150
|
| 929 |
+
G C6 N1 sing N N 151
|
| 930 |
+
G N1 C2 sing N N 152
|
| 931 |
+
G N1 H1 sing N N 153
|
| 932 |
+
G C2 N2 sing N N 154
|
| 933 |
+
G C2 N3 doub N N 155
|
| 934 |
+
G N2 H21 sing N N 156
|
| 935 |
+
G N2 H22 sing N N 157
|
| 936 |
+
G N3 C4 sing N N 158
|
| 937 |
+
MA6 C2 N3 doub Y N 159
|
| 938 |
+
MA6 C2 N1 sing Y N 160
|
| 939 |
+
MA6 C2 H2 sing N N 161
|
| 940 |
+
MA6 C4 C5 doub Y N 162
|
| 941 |
+
MA6 C4 N9 sing Y N 163
|
| 942 |
+
MA6 C4 N3 sing Y N 164
|
| 943 |
+
MA6 C5 C6 sing Y N 165
|
| 944 |
+
MA6 C5 N7 sing Y N 166
|
| 945 |
+
MA6 P OP1 doub N N 167
|
| 946 |
+
MA6 P OP2 sing N N 168
|
| 947 |
+
MA6 P OP3 sing N N 169
|
| 948 |
+
MA6 P "O5'" sing N N 170
|
| 949 |
+
MA6 OP2 HOP2 sing N N 171
|
| 950 |
+
MA6 "O5'" "C5'" sing N N 172
|
| 951 |
+
MA6 "C5'" "C4'" sing N N 173
|
| 952 |
+
MA6 "C5'" "H5'" sing N N 174
|
| 953 |
+
MA6 "C5'" "H5''" sing N N 175
|
| 954 |
+
MA6 "C4'" "O4'" sing N N 176
|
| 955 |
+
MA6 "C4'" "C3'" sing N N 177
|
| 956 |
+
MA6 "C4'" "H4'" sing N N 178
|
| 957 |
+
MA6 "O4'" "C1'" sing N N 179
|
| 958 |
+
MA6 "C1'" N9 sing N N 180
|
| 959 |
+
MA6 "C1'" "C2'" sing N N 181
|
| 960 |
+
MA6 "C1'" "H1'" sing N N 182
|
| 961 |
+
MA6 N9 C8 sing Y N 183
|
| 962 |
+
MA6 N1 C6 doub Y N 184
|
| 963 |
+
MA6 C6 N6 sing N N 185
|
| 964 |
+
MA6 N6 C9 sing N N 186
|
| 965 |
+
MA6 N6 C10 sing N N 187
|
| 966 |
+
MA6 C9 H91 sing N N 188
|
| 967 |
+
MA6 C9 H92 sing N N 189
|
| 968 |
+
MA6 C9 H93 sing N N 190
|
| 969 |
+
MA6 C10 H101 sing N N 191
|
| 970 |
+
MA6 C10 H102 sing N N 192
|
| 971 |
+
MA6 C10 H103 sing N N 193
|
| 972 |
+
MA6 N7 C8 doub Y N 194
|
| 973 |
+
MA6 C8 H8 sing N N 195
|
| 974 |
+
MA6 "C2'" "O2'" sing N N 196
|
| 975 |
+
MA6 "C2'" "C3'" sing N N 197
|
| 976 |
+
MA6 "C2'" "H2'" sing N N 198
|
| 977 |
+
MA6 "O2'" "HO2'" sing N N 199
|
| 978 |
+
MA6 "C3'" "O3'" sing N N 200
|
| 979 |
+
MA6 "C3'" "H3'" sing N N 201
|
| 980 |
+
MA6 "O3'" "HO3'" sing N N 202
|
| 981 |
+
MA6 OP3 HOP3 sing N N 203
|
| 982 |
+
U OP3 P sing N N 204
|
| 983 |
+
U OP3 HOP3 sing N N 205
|
| 984 |
+
U P OP1 doub N N 206
|
| 985 |
+
U P OP2 sing N N 207
|
| 986 |
+
U P "O5'" sing N N 208
|
| 987 |
+
U OP2 HOP2 sing N N 209
|
| 988 |
+
U "O5'" "C5'" sing N N 210
|
| 989 |
+
U "C5'" "C4'" sing N N 211
|
| 990 |
+
U "C5'" "H5'" sing N N 212
|
| 991 |
+
U "C5'" "H5''" sing N N 213
|
| 992 |
+
U "C4'" "O4'" sing N N 214
|
| 993 |
+
U "C4'" "C3'" sing N N 215
|
| 994 |
+
U "C4'" "H4'" sing N N 216
|
| 995 |
+
U "O4'" "C1'" sing N N 217
|
| 996 |
+
U "C3'" "O3'" sing N N 218
|
| 997 |
+
U "C3'" "C2'" sing N N 219
|
| 998 |
+
U "C3'" "H3'" sing N N 220
|
| 999 |
+
U "O3'" "HO3'" sing N N 221
|
| 1000 |
+
U "C2'" "O2'" sing N N 222
|
| 1001 |
+
U "C2'" "C1'" sing N N 223
|
| 1002 |
+
U "C2'" "H2'" sing N N 224
|
| 1003 |
+
U "O2'" "HO2'" sing N N 225
|
| 1004 |
+
U "C1'" N1 sing N N 226
|
| 1005 |
+
U "C1'" "H1'" sing N N 227
|
| 1006 |
+
U N1 C2 sing N N 228
|
| 1007 |
+
U N1 C6 sing N N 229
|
| 1008 |
+
U C2 O2 doub N N 230
|
| 1009 |
+
U C2 N3 sing N N 231
|
| 1010 |
+
U N3 C4 sing N N 232
|
| 1011 |
+
U N3 H3 sing N N 233
|
| 1012 |
+
U C4 O4 doub N N 234
|
| 1013 |
+
U C4 C5 sing N N 235
|
| 1014 |
+
U C5 C6 doub N N 236
|
| 1015 |
+
U C5 H5 sing N N 237
|
| 1016 |
+
U C6 H6 sing N N 238
|
| 1017 |
+
#
|
| 1018 |
+
loop_
|
| 1019 |
+
_ndb_struct_conf_na.entry_id
|
| 1020 |
+
_ndb_struct_conf_na.feature
|
| 1021 |
+
1WTS 'double helix'
|
| 1022 |
+
1WTS 'a-form double helix'
|
| 1023 |
+
1WTS tetraloop
|
| 1024 |
+
1WTS 'mismatched base pair'
|
| 1025 |
+
#
|
| 1026 |
+
loop_
|
| 1027 |
+
_ndb_struct_na_base_pair.model_number
|
| 1028 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1029 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1030 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1031 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1032 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1033 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1034 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1035 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1036 |
+
_ndb_struct_na_base_pair.shear
|
| 1037 |
+
_ndb_struct_na_base_pair.stretch
|
| 1038 |
+
_ndb_struct_na_base_pair.stagger
|
| 1039 |
+
_ndb_struct_na_base_pair.buckle
|
| 1040 |
+
_ndb_struct_na_base_pair.propeller
|
| 1041 |
+
_ndb_struct_na_base_pair.opening
|
| 1042 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1043 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1044 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1045 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1046 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1047 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1048 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1049 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1050 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1051 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1052 |
+
1 A G 1 1_555 A C 14 1_555 -0.253 -0.210 -0.141 1.496 6.060 -4.101 1 A_G1:C14_A A 1 ? A 14 ? 19 1
|
| 1053 |
+
1 A G 2 1_555 A C 13 1_555 -0.802 -0.330 -0.131 9.501 -2.714 -1.820 2 A_G2:C13_A A 2 ? A 13 ? 19 1
|
| 1054 |
+
1 A A 3 1_555 A U 12 1_555 -0.274 -0.141 -0.042 11.809 -3.213 2.665 3 A_A3:U12_A A 3 ? A 12 ? 20 1
|
| 1055 |
+
1 A C 4 1_555 A G 11 1_555 0.069 -0.169 -0.214 -0.179 -2.185 -2.670 4 A_C4:G11_A A 4 ? A 11 ? 19 1
|
| 1056 |
+
1 A C 5 1_555 A G 10 1_555 0.624 -0.186 0.129 -4.841 -1.247 -0.264 5 A_C5:G10_A A 5 ? A 10 ? 19 1
|
| 1057 |
+
1 A 2MG 6 1_555 A MA6 9 1_555 0.789 1.872 -1.790 -37.733 28.793 -90.113 6 A_2MG6:MA69_A A 6 ? A 9 ? ? ?
|
| 1058 |
+
#
|
| 1059 |
+
loop_
|
| 1060 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1061 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1062 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1063 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1064 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1065 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1066 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1067 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1068 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1069 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1070 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1071 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1072 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1073 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1074 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1075 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1076 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1077 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1078 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1079 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1080 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1081 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1082 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1083 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1084 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1085 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1086 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1087 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1088 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1089 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1090 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1091 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1092 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1093 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1094 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1095 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1096 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1097 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1098 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1099 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1100 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1101 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1102 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1103 |
+
1 A G 1 1_555 A C 14 1_555 A G 2 1_555 A C 13 1_555 -0.171 -1.223 3.211 1.782 9.758 20.942 -6.097 0.984 2.386 25.109 -4.586
|
| 1104 |
+
23.149 1 AA_G1G2:C13C14_AA A 1 ? A 14 ? A 2 ? A 13 ?
|
| 1105 |
+
1 A G 2 1_555 A C 13 1_555 A A 3 1_555 A U 12 1_555 -0.028 -2.358 3.007 -9.166 12.390 32.511 -5.241 -1.001 1.948 20.740 15.343
|
| 1106 |
+
35.889 2 AA_G2A3:U12C13_AA A 2 ? A 13 ? A 3 ? A 12 ?
|
| 1107 |
+
1 A A 3 1_555 A U 12 1_555 A C 4 1_555 A G 11 1_555 -0.400 -2.653 3.354 0.763 6.887 31.034 -6.029 0.861 2.707 12.673 -1.404
|
| 1108 |
+
31.779 3 AA_A3C4:G11U12_AA A 3 ? A 12 ? A 4 ? A 11 ?
|
| 1109 |
+
1 A C 4 1_555 A G 11 1_555 A C 5 1_555 A G 10 1_555 0.310 -2.111 3.235 -0.891 5.717 29.616 -5.136 -0.763 2.777 11.051 1.722
|
| 1110 |
+
30.163 4 AA_C4C5:G10G11_AA A 4 ? A 11 ? A 5 ? A 10 ?
|
| 1111 |
+
1 A C 5 1_555 A G 10 1_555 A 2MG 6 1_555 A MA6 9 1_555 0.389 -2.544 3.973 24.815 2.445 83.341 -1.927 0.400 3.894 1.804
|
| 1112 |
+
-18.306 86.333 5 AA_C52MG6:MA69G10_AA A 5 ? A 10 ? A 6 ? A 9 ?
|
| 1113 |
+
#
|
| 1114 |
+
loop_
|
| 1115 |
+
_pdbx_nmr_spectrometer.spectrometer_id
|
| 1116 |
+
_pdbx_nmr_spectrometer.model
|
| 1117 |
+
_pdbx_nmr_spectrometer.manufacturer
|
| 1118 |
+
_pdbx_nmr_spectrometer.field_strength
|
| 1119 |
+
1 'UNITY 500' Varian 500
|
| 1120 |
+
2 'UNITYPLUS 600' GE 600
|
| 1121 |
+
3 'OMEGA 500' GE 600
|
| 1122 |
+
#
|
| 1123 |
+
_atom_sites.entry_id 1WTS
|
| 1124 |
+
_atom_sites.fract_transf_matrix[1][1] 1.000000
|
| 1125 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 1126 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 1127 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1128 |
+
_atom_sites.fract_transf_matrix[2][2] 1.000000
|
| 1129 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1130 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1131 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1132 |
+
_atom_sites.fract_transf_matrix[3][3] 1.000000
|
| 1133 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 1134 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 1135 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 1136 |
+
#
|
| 1137 |
+
loop_
|
| 1138 |
+
_atom_type.symbol
|
| 1139 |
+
C
|
| 1140 |
+
H
|
| 1141 |
+
N
|
| 1142 |
+
O
|
| 1143 |
+
P
|
| 1144 |
+
#
|
| 1145 |
+
loop_
|
| 1146 |
+
_atom_site.group_PDB
|
| 1147 |
+
_atom_site.id
|
| 1148 |
+
_atom_site.type_symbol
|
| 1149 |
+
_atom_site.label_atom_id
|
| 1150 |
+
_atom_site.label_alt_id
|
| 1151 |
+
_atom_site.label_comp_id
|
| 1152 |
+
_atom_site.label_asym_id
|
| 1153 |
+
_atom_site.label_entity_id
|
| 1154 |
+
_atom_site.label_seq_id
|
| 1155 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1156 |
+
_atom_site.Cartn_x
|
| 1157 |
+
_atom_site.Cartn_y
|
| 1158 |
+
_atom_site.Cartn_z
|
| 1159 |
+
_atom_site.occupancy
|
| 1160 |
+
_atom_site.B_iso_or_equiv
|
| 1161 |
+
_atom_site.pdbx_formal_charge
|
| 1162 |
+
_atom_site.auth_seq_id
|
| 1163 |
+
_atom_site.auth_comp_id
|
| 1164 |
+
_atom_site.auth_asym_id
|
| 1165 |
+
_atom_site.auth_atom_id
|
| 1166 |
+
_atom_site.pdbx_PDB_model_num
|
| 1167 |
+
ATOM 1 O "O5'" . G A 1 1 ? 21.196 -5.558 12.900 1.00 1.27 ? 1 G A "O5'" 1
|
| 1168 |
+
ATOM 2 C "C5'" . G A 1 1 ? 22.407 -5.901 13.597 1.00 1.27 ? 1 G A "C5'" 1
|
| 1169 |
+
ATOM 3 C "C4'" . G A 1 1 ? 23.566 -6.178 12.650 1.00 1.17 ? 1 G A "C4'" 1
|
| 1170 |
+
ATOM 4 O "O4'" . G A 1 1 ? 23.118 -7.095 11.606 1.00 1.10 ? 1 G A "O4'" 1
|
| 1171 |
+
ATOM 5 C "C3'" . G A 1 1 ? 24.121 -5.004 11.835 1.00 1.16 ? 1 G A "C3'" 1
|
| 1172 |
+
ATOM 6 O "O3'" . G A 1 1 ? 24.867 -4.086 12.659 1.00 1.23 ? 1 G A "O3'" 1
|
| 1173 |
+
ATOM 7 C "C2'" . G A 1 1 ? 24.938 -5.794 10.799 1.00 1.10 ? 1 G A "C2'" 1
|
| 1174 |
+
ATOM 8 O "O2'" . G A 1 1 ? 26.210 -6.280 11.216 1.00 1.14 ? 1 G A "O2'" 1
|
| 1175 |
+
ATOM 9 C "C1'" . G A 1 1 ? 24.020 -6.990 10.519 1.00 1.05 ? 1 G A "C1'" 1
|
| 1176 |
+
ATOM 10 N N9 . G A 1 1 ? 23.282 -6.859 9.260 1.00 0.99 ? 1 G A N9 1
|
| 1177 |
+
ATOM 11 C C8 . G A 1 1 ? 22.051 -6.276 9.050 1.00 1.06 ? 1 G A C8 1
|
| 1178 |
+
ATOM 12 N N7 . G A 1 1 ? 21.691 -6.276 7.799 1.00 1.01 ? 1 G A N7 1
|
| 1179 |
+
ATOM 13 C C5 . G A 1 1 ? 22.751 -6.905 7.139 1.00 0.90 ? 1 G A C5 1
|
| 1180 |
+
ATOM 14 C C6 . G A 1 1 ? 22.959 -7.213 5.764 1.00 0.83 ? 1 G A C6 1
|
| 1181 |
+
ATOM 15 O O6 . G A 1 1 ? 22.236 -7.010 4.789 1.00 0.84 ? 1 G A O6 1
|
| 1182 |
+
ATOM 16 N N1 . G A 1 1 ? 24.159 -7.849 5.547 1.00 0.77 ? 1 G A N1 1
|
| 1183 |
+
ATOM 17 C C2 . G A 1 1 ? 25.021 -8.175 6.520 1.00 0.78 ? 1 G A C2 1
|
| 1184 |
+
ATOM 18 N N2 . G A 1 1 ? 26.104 -8.802 6.161 1.00 0.75 ? 1 G A N2 1
|
| 1185 |
+
ATOM 19 N N3 . G A 1 1 ? 24.897 -7.936 7.790 1.00 0.83 ? 1 G A N3 1
|
| 1186 |
+
ATOM 20 C C4 . G A 1 1 ? 23.731 -7.287 8.032 1.00 0.89 ? 1 G A C4 1
|
| 1187 |
+
ATOM 21 H "H5'" . G A 1 1 ? 22.224 -6.785 14.210 1.00 1.29 ? 1 G A "H5'" 1
|
| 1188 |
+
ATOM 22 H "H5''" . G A 1 1 ? 22.694 -5.089 14.266 1.00 1.36 ? 1 G A "H5''" 1
|
| 1189 |
+
ATOM 23 H "H4'" . G A 1 1 ? 24.396 -6.573 13.240 1.00 1.20 ? 1 G A "H4'" 1
|
| 1190 |
+
ATOM 24 H "H3'" . G A 1 1 ? 23.312 -4.452 11.349 1.00 1.18 ? 1 G A "H3'" 1
|
| 1191 |
+
ATOM 25 H "H2'" . G A 1 1 ? 24.995 -5.169 9.912 1.00 1.10 ? 1 G A "H2'" 1
|
| 1192 |
+
ATOM 26 H "HO2'" . G A 1 1 ? 26.865 -5.862 10.616 1.00 1.23 ? 1 G A "HO2'" 1
|
| 1193 |
+
ATOM 27 H "H1'" . G A 1 1 ? 24.595 -7.921 10.469 1.00 1.04 ? 1 G A "H1'" 1
|
| 1194 |
+
ATOM 28 H H8 . G A 1 1 ? 21.436 -5.863 9.837 1.00 1.16 ? 1 G A H8 1
|
| 1195 |
+
ATOM 29 H H1 . G A 1 1 ? 24.390 -8.074 4.591 1.00 0.73 ? 1 G A H1 1
|
| 1196 |
+
ATOM 30 H H21 . G A 1 1 ? 26.270 -9.057 5.195 1.00 0.74 ? 1 G A H21 1
|
| 1197 |
+
ATOM 31 H H22 . G A 1 1 ? 26.713 -9.020 6.925 1.00 0.77 ? 1 G A H22 1
|
| 1198 |
+
ATOM 32 H "HO5'" . G A 1 1 ? 21.140 -6.176 12.160 1.00 1.19 ? 1 G A "HO5'" 1
|
| 1199 |
+
ATOM 33 P P . G A 1 2 ? 25.301 -2.604 12.174 1.00 1.21 ? 2 G A P 1
|
| 1200 |
+
ATOM 34 O OP1 . G A 1 2 ? 25.814 -1.844 13.342 1.00 1.35 ? 2 G A OP1 1
|
| 1201 |
+
ATOM 35 O OP2 . G A 1 2 ? 24.188 -2.037 11.370 1.00 1.21 ? 2 G A OP2 1
|
| 1202 |
+
ATOM 36 O "O5'" . G A 1 2 ? 26.541 -2.916 11.196 1.00 1.08 ? 2 G A "O5'" 1
|
| 1203 |
+
ATOM 37 C "C5'" . G A 1 2 ? 27.796 -3.456 11.649 1.00 1.10 ? 2 G A "C5'" 1
|
| 1204 |
+
ATOM 38 C "C4'" . G A 1 2 ? 28.608 -4.008 10.483 1.00 0.93 ? 2 G A "C4'" 1
|
| 1205 |
+
ATOM 39 O "O4'" . G A 1 2 ? 27.812 -4.976 9.726 1.00 0.85 ? 2 G A "O4'" 1
|
| 1206 |
+
ATOM 40 C "C3'" . G A 1 2 ? 29.063 -3.030 9.393 1.00 0.79 ? 2 G A "C3'" 1
|
| 1207 |
+
ATOM 41 O "O3'" . G A 1 2 ? 30.177 -2.217 9.786 1.00 0.81 ? 2 G A "O3'" 1
|
| 1208 |
+
ATOM 42 C "C2'" . G A 1 2 ? 29.411 -4.016 8.265 1.00 0.64 ? 2 G A "C2'" 1
|
| 1209 |
+
ATOM 43 O "O2'" . G A 1 2 ? 30.607 -4.766 8.451 1.00 0.69 ? 2 G A "O2'" 1
|
| 1210 |
+
ATOM 44 C "C1'" . G A 1 2 ? 28.230 -4.970 8.371 1.00 0.69 ? 2 G A "C1'" 1
|
| 1211 |
+
ATOM 45 N N9 . G A 1 2 ? 27.084 -4.676 7.497 1.00 0.66 ? 2 G A N9 1
|
| 1212 |
+
ATOM 46 C C8 . G A 1 2 ? 25.903 -4.039 7.795 1.00 0.76 ? 2 G A C8 1
|
| 1213 |
+
ATOM 47 N N7 . G A 1 2 ? 25.054 -4.016 6.809 1.00 0.71 ? 2 G A N7 1
|
| 1214 |
+
ATOM 48 C C5 . G A 1 2 ? 25.741 -4.631 5.755 1.00 0.57 ? 2 G A C5 1
|
| 1215 |
+
ATOM 49 C C6 . G A 1 2 ? 25.403 -4.845 4.383 1.00 0.49 ? 2 G A C6 1
|
| 1216 |
+
ATOM 50 O O6 . G A 1 2 ? 24.357 -4.612 3.771 1.00 0.51 ? 2 G A O6 1
|
| 1217 |
+
ATOM 51 N N1 . G A 1 2 ? 26.447 -5.399 3.675 1.00 0.42 ? 2 G A N1 1
|
| 1218 |
+
ATOM 52 C C2 . G A 1 2 ? 27.628 -5.734 4.232 1.00 0.42 ? 2 G A C2 1
|
| 1219 |
+
ATOM 53 N N2 . G A 1 2 ? 28.545 -6.239 3.466 1.00 0.40 ? 2 G A N2 1
|
| 1220 |
+
ATOM 54 N N3 . G A 1 2 ? 27.991 -5.606 5.469 1.00 0.48 ? 2 G A N3 1
|
| 1221 |
+
ATOM 55 C C4 . G A 1 2 ? 26.997 -5.027 6.175 1.00 0.55 ? 2 G A C4 1
|
| 1222 |
+
ATOM 56 H "H5'" . G A 1 2 ? 27.627 -4.260 12.370 1.00 1.17 ? 2 G A "H5'" 1
|
| 1223 |
+
ATOM 57 H "H5''" . G A 1 2 ? 28.383 -2.684 12.151 1.00 1.17 ? 2 G A "H5''" 1
|
| 1224 |
+
ATOM 58 H "H4'" . G A 1 2 ? 29.512 -4.449 10.905 1.00 0.98 ? 2 G A "H4'" 1
|
| 1225 |
+
ATOM 59 H "H3'" . G A 1 2 ? 28.242 -2.378 9.096 1.00 0.81 ? 2 G A "H3'" 1
|
| 1226 |
+
ATOM 60 H "H2'" . G A 1 2 ? 29.396 -3.501 7.308 1.00 0.51 ? 2 G A "H2'" 1
|
| 1227 |
+
ATOM 61 H "HO2'" . G A 1 2 ? 31.199 -4.228 8.979 1.00 1.31 ? 2 G A "HO2'" 1
|
| 1228 |
+
ATOM 62 H "H1'" . G A 1 2 ? 28.577 -5.971 8.109 1.00 0.69 ? 2 G A "H1'" 1
|
| 1229 |
+
ATOM 63 H H8 . G A 1 2 ? 25.724 -3.542 8.730 1.00 0.88 ? 2 G A H8 1
|
| 1230 |
+
ATOM 64 H H1 . G A 1 2 ? 26.284 -5.544 2.686 1.00 0.38 ? 2 G A H1 1
|
| 1231 |
+
ATOM 65 H H21 . G A 1 2 ? 28.389 -6.305 2.465 1.00 0.38 ? 2 G A H21 1
|
| 1232 |
+
ATOM 66 H H22 . G A 1 2 ? 29.395 -6.453 3.952 1.00 0.43 ? 2 G A H22 1
|
| 1233 |
+
ATOM 67 P P . A A 1 3 ? 30.444 -0.782 9.102 1.00 0.78 ? 3 A A P 1
|
| 1234 |
+
ATOM 68 O OP1 . A A 1 3 ? 31.721 -0.231 9.608 1.00 0.82 ? 3 A A OP1 1
|
| 1235 |
+
ATOM 69 O OP2 . A A 1 3 ? 29.200 0.013 9.249 1.00 0.92 ? 3 A A OP2 1
|
| 1236 |
+
ATOM 70 O "O5'" . A A 1 3 ? 30.647 -1.181 7.557 1.00 0.60 ? 3 A A "O5'" 1
|
| 1237 |
+
ATOM 71 C "C5'" . A A 1 3 ? 31.878 -1.732 7.057 1.00 0.54 ? 3 A A "C5'" 1
|
| 1238 |
+
ATOM 72 C "C4'" . A A 1 3 ? 31.893 -1.881 5.547 1.00 0.47 ? 3 A A "C4'" 1
|
| 1239 |
+
ATOM 73 O "O4'" . A A 1 3 ? 31.091 -3.006 5.042 1.00 0.40 ? 3 A A "O4'" 1
|
| 1240 |
+
ATOM 74 C "C3'" . A A 1 3 ? 31.342 -0.728 4.708 1.00 0.47 ? 3 A A "C3'" 1
|
| 1241 |
+
ATOM 75 O "O3'" . A A 1 3 ? 32.052 0.510 4.850 1.00 0.55 ? 3 A A "O3'" 1
|
| 1242 |
+
ATOM 76 C "C2'" . A A 1 3 ? 31.407 -1.401 3.330 1.00 0.41 ? 3 A A "C2'" 1
|
| 1243 |
+
ATOM 77 O "O2'" . A A 1 3 ? 32.718 -1.723 2.822 1.00 0.44 ? 3 A A "O2'" 1
|
| 1244 |
+
ATOM 78 C "C1'" . A A 1 3 ? 30.658 -2.675 3.716 1.00 0.37 ? 3 A A "C1'" 1
|
| 1245 |
+
ATOM 79 N N9 . A A 1 3 ? 29.182 -2.563 3.685 1.00 0.36 ? 3 A A N9 1
|
| 1246 |
+
ATOM 80 C C8 . A A 1 3 ? 28.290 -2.398 4.725 1.00 0.41 ? 3 A A C8 1
|
| 1247 |
+
ATOM 81 N N7 . A A 1 3 ? 27.058 -2.226 4.331 1.00 0.41 ? 3 A A N7 1
|
| 1248 |
+
ATOM 82 C C5 . A A 1 3 ? 27.128 -2.337 2.943 1.00 0.36 ? 3 A A C5 1
|
| 1249 |
+
ATOM 83 C C6 . A A 1 3 ? 26.172 -2.220 1.919 1.00 0.35 ? 3 A A C6 1
|
| 1250 |
+
ATOM 84 N N6 . A A 1 3 ? 24.880 -2.022 2.088 1.00 0.40 ? 3 A A N6 1
|
| 1251 |
+
ATOM 85 N N1 . A A 1 3 ? 26.574 -2.328 0.648 1.00 0.31 ? 3 A A N1 1
|
| 1252 |
+
ATOM 86 C C2 . A A 1 3 ? 27.867 -2.595 0.416 1.00 0.28 ? 3 A A C2 1
|
| 1253 |
+
ATOM 87 N N3 . A A 1 3 ? 28.881 -2.720 1.271 1.00 0.29 ? 3 A A N3 1
|
| 1254 |
+
ATOM 88 C C4 . A A 1 3 ? 28.428 -2.562 2.533 1.00 0.32 ? 3 A A C4 1
|
| 1255 |
+
ATOM 89 H "H5'" . A A 1 3 ? 32.111 -2.693 7.516 1.00 0.54 ? 3 A A "H5'" 1
|
| 1256 |
+
ATOM 90 H "H5''" . A A 1 3 ? 32.692 -1.046 7.293 1.00 0.59 ? 3 A A "H5''" 1
|
| 1257 |
+
ATOM 91 H "H4'" . A A 1 3 ? 32.951 -1.976 5.293 1.00 0.50 ? 3 A A "H4'" 1
|
| 1258 |
+
ATOM 92 H "H3'" . A A 1 3 ? 30.305 -0.539 5.000 1.00 0.48 ? 3 A A "H3'" 1
|
| 1259 |
+
ATOM 93 H "H2'" . A A 1 3 ? 30.798 -0.861 2.618 1.00 0.40 ? 3 A A "H2'" 1
|
| 1260 |
+
ATOM 94 H "HO2'" . A A 1 3 ? 32.628 -1.916 1.884 1.00 0.46 ? 3 A A "HO2'" 1
|
| 1261 |
+
ATOM 95 H "H1'" . A A 1 3 ? 30.936 -3.390 2.950 1.00 0.35 ? 3 A A "H1'" 1
|
| 1262 |
+
ATOM 96 H H8 . A A 1 3 ? 28.531 -2.440 5.779 1.00 0.48 ? 3 A A H8 1
|
| 1263 |
+
ATOM 97 H H61 . A A 1 3 ? 24.256 -1.959 1.283 1.00 0.39 ? 3 A A H61 1
|
| 1264 |
+
ATOM 98 H H62 . A A 1 3 ? 24.548 -1.954 3.036 1.00 0.46 ? 3 A A H62 1
|
| 1265 |
+
ATOM 99 H H2 . A A 1 3 ? 28.125 -2.767 -0.632 1.00 0.28 ? 3 A A H2 1
|
| 1266 |
+
ATOM 100 P P . C A 1 4 ? 31.360 1.921 4.459 1.00 0.59 ? 4 C A P 1
|
| 1267 |
+
ATOM 101 O OP1 . C A 1 4 ? 32.234 3.045 4.866 1.00 0.69 ? 4 C A OP1 1
|
| 1268 |
+
ATOM 102 O OP2 . C A 1 4 ? 29.940 1.898 4.894 1.00 0.62 ? 4 C A OP2 1
|
| 1269 |
+
ATOM 103 O "O5'" . C A 1 4 ? 31.410 1.814 2.873 1.00 0.53 ? 4 C A "O5'" 1
|
| 1270 |
+
ATOM 104 C "C5'" . C A 1 4 ? 32.615 1.620 2.116 1.00 0.53 ? 4 C A "C5'" 1
|
| 1271 |
+
ATOM 105 C "C4'" . C A 1 4 ? 32.249 1.497 0.649 1.00 0.50 ? 4 C A "C4'" 1
|
| 1272 |
+
ATOM 106 O "O4'" . C A 1 4 ? 31.371 0.348 0.374 1.00 0.44 ? 4 C A "O4'" 1
|
| 1273 |
+
ATOM 107 C "C3'" . C A 1 4 ? 31.411 2.657 0.133 1.00 0.52 ? 4 C A "C3'" 1
|
| 1274 |
+
ATOM 108 O "O3'" . C A 1 4 ? 32.163 3.876 0.113 1.00 0.59 ? 4 C A "O3'" 1
|
| 1275 |
+
ATOM 109 C "C2'" . C A 1 4 ? 30.909 2.056 -1.184 1.00 0.47 ? 4 C A "C2'" 1
|
| 1276 |
+
ATOM 110 O "O2'" . C A 1 4 ? 31.893 1.831 -2.205 1.00 0.50 ? 4 C A "O2'" 1
|
| 1277 |
+
ATOM 111 C "C1'" . C A 1 4 ? 30.396 0.719 -0.608 1.00 0.43 ? 4 C A "C1'" 1
|
| 1278 |
+
ATOM 112 N N1 . C A 1 4 ? 29.000 0.806 -0.028 1.00 0.42 ? 4 C A N1 1
|
| 1279 |
+
ATOM 113 C C2 . C A 1 4 ? 27.888 1.012 -0.864 1.00 0.43 ? 4 C A C2 1
|
| 1280 |
+
ATOM 114 O O2 . C A 1 4 ? 28.068 1.126 -2.081 1.00 0.44 ? 4 C A O2 1
|
| 1281 |
+
ATOM 115 N N3 . C A 1 4 ? 26.642 1.095 -0.354 1.00 0.43 ? 4 C A N3 1
|
| 1282 |
+
ATOM 116 C C4 . C A 1 4 ? 26.492 0.971 0.947 1.00 0.44 ? 4 C A C4 1
|
| 1283 |
+
ATOM 117 N N4 . C A 1 4 ? 25.282 1.053 1.410 1.00 0.47 ? 4 C A N4 1
|
| 1284 |
+
ATOM 118 C C5 . C A 1 4 ? 27.546 0.760 1.845 1.00 0.43 ? 4 C A C5 1
|
| 1285 |
+
ATOM 119 C C6 . C A 1 4 ? 28.768 0.696 1.316 1.00 0.42 ? 4 C A C6 1
|
| 1286 |
+
ATOM 120 H "H5'" . C A 1 4 ? 33.164 0.731 2.422 1.00 0.51 ? 4 C A "H5'" 1
|
| 1287 |
+
ATOM 121 H "H5''" . C A 1 4 ? 33.277 2.480 2.236 1.00 0.58 ? 4 C A "H5''" 1
|
| 1288 |
+
ATOM 122 H "H4'" . C A 1 4 ? 33.181 1.501 0.074 1.00 0.53 ? 4 C A "H4'" 1
|
| 1289 |
+
ATOM 123 H "H3'" . C A 1 4 ? 30.551 2.815 0.786 1.00 0.52 ? 4 C A "H3'" 1
|
| 1290 |
+
ATOM 124 H "H2'" . C A 1 4 ? 30.055 2.653 -1.496 1.00 0.47 ? 4 C A "H2'" 1
|
| 1291 |
+
ATOM 125 H "HO2'" . C A 1 4 ? 31.430 1.680 -3.033 1.00 0.46 ? 4 C A "HO2'" 1
|
| 1292 |
+
ATOM 126 H "H1'" . C A 1 4 ? 30.405 -0.068 -1.371 1.00 0.41 ? 4 C A "H1'" 1
|
| 1293 |
+
ATOM 127 H H41 . C A 1 4 ? 24.538 1.246 0.740 1.00 0.47 ? 4 C A H41 1
|
| 1294 |
+
ATOM 128 H H42 . C A 1 4 ? 25.102 0.968 2.389 1.00 0.49 ? 4 C A H42 1
|
| 1295 |
+
ATOM 129 H H5 . C A 1 4 ? 27.354 0.661 2.908 1.00 0.44 ? 4 C A H5 1
|
| 1296 |
+
ATOM 130 H H6 . C A 1 4 ? 29.605 0.575 1.971 1.00 0.42 ? 4 C A H6 1
|
| 1297 |
+
ATOM 131 P P . C A 1 5 ? 31.479 5.299 0.445 1.00 0.62 ? 5 C A P 1
|
| 1298 |
+
ATOM 132 O OP1 . C A 1 5 ? 32.510 6.351 0.577 1.00 0.72 ? 5 C A OP1 1
|
| 1299 |
+
ATOM 133 O OP2 . C A 1 5 ? 30.476 5.115 1.527 1.00 0.65 ? 5 C A OP2 1
|
| 1300 |
+
ATOM 134 O "O5'" . C A 1 5 ? 30.720 5.555 -0.919 1.00 0.51 ? 5 C A "O5'" 1
|
| 1301 |
+
ATOM 135 C "C5'" . C A 1 5 ? 31.359 5.512 -2.209 1.00 0.47 ? 5 C A "C5'" 1
|
| 1302 |
+
ATOM 136 C "C4'" . C A 1 5 ? 30.259 5.481 -3.250 1.00 0.36 ? 5 C A "C4'" 1
|
| 1303 |
+
ATOM 137 O "O4'" . C A 1 5 ? 29.361 4.369 -2.920 1.00 0.38 ? 5 C A "O4'" 1
|
| 1304 |
+
ATOM 138 C "C3'" . C A 1 5 ? 29.378 6.732 -3.246 1.00 0.33 ? 5 C A "C3'" 1
|
| 1305 |
+
ATOM 139 O "O3'" . C A 1 5 ? 29.959 7.789 -4.036 1.00 0.42 ? 5 C A "O3'" 1
|
| 1306 |
+
ATOM 140 C "C2'" . C A 1 5 ? 28.085 6.136 -3.802 1.00 0.27 ? 5 C A "C2'" 1
|
| 1307 |
+
ATOM 141 O "O2'" . C A 1 5 ? 28.052 5.968 -5.222 1.00 0.31 ? 5 C A "O2'" 1
|
| 1308 |
+
ATOM 142 C "C1'" . C A 1 5 ? 28.024 4.783 -3.098 1.00 0.31 ? 5 C A "C1'" 1
|
| 1309 |
+
ATOM 143 N N1 . C A 1 5 ? 27.174 4.623 -1.861 1.00 0.33 ? 5 C A N1 1
|
| 1310 |
+
ATOM 144 C C2 . C A 1 5 ? 25.784 4.824 -1.980 1.00 0.30 ? 5 C A C2 1
|
| 1311 |
+
ATOM 145 O O2 . C A 1 5 ? 25.292 5.120 -3.068 1.00 0.27 ? 5 C A O2 1
|
| 1312 |
+
ATOM 146 N N3 . C A 1 5 ? 24.955 4.695 -0.938 1.00 0.33 ? 5 C A N3 1
|
| 1313 |
+
ATOM 147 C C4 . C A 1 5 ? 25.477 4.392 0.220 1.00 0.38 ? 5 C A C4 1
|
| 1314 |
+
ATOM 148 N N4 . C A 1 5 ? 24.605 4.320 1.178 1.00 0.41 ? 5 C A N4 1
|
| 1315 |
+
ATOM 149 C C5 . C A 1 5 ? 26.857 4.171 0.436 1.00 0.42 ? 5 C A C5 1
|
| 1316 |
+
ATOM 150 C C6 . C A 1 5 ? 27.670 4.274 -0.623 1.00 0.39 ? 5 C A C6 1
|
| 1317 |
+
ATOM 151 H "H5'" . C A 1 5 ? 31.973 4.617 -2.330 1.00 0.51 ? 5 C A "H5'" 1
|
| 1318 |
+
ATOM 152 H "H5''" . C A 1 5 ? 31.991 6.386 -2.368 1.00 0.50 ? 5 C A "H5''" 1
|
| 1319 |
+
ATOM 153 H "H4'" . C A 1 5 ? 30.713 5.410 -4.240 1.00 0.35 ? 5 C A "H4'" 1
|
| 1320 |
+
ATOM 154 H "H3'" . C A 1 5 ? 29.195 7.104 -2.237 1.00 0.42 ? 5 C A "H3'" 1
|
| 1321 |
+
ATOM 155 H "H2'" . C A 1 5 ? 27.258 6.700 -3.426 1.00 0.27 ? 5 C A "H2'" 1
|
| 1322 |
+
ATOM 156 H "HO2'" . C A 1 5 ? 28.329 6.800 -5.612 1.00 0.35 ? 5 C A "HO2'" 1
|
| 1323 |
+
ATOM 157 H "H1'" . C A 1 5 ? 27.566 4.166 -3.861 1.00 0.28 ? 5 C A "H1'" 1
|
| 1324 |
+
ATOM 158 H H41 . C A 1 5 ? 23.642 4.434 0.856 1.00 0.41 ? 5 C A H41 1
|
| 1325 |
+
ATOM 159 H H42 . C A 1 5 ? 24.859 4.109 2.116 1.00 0.44 ? 5 C A H42 1
|
| 1326 |
+
ATOM 160 H H5 . C A 1 5 ? 27.257 3.915 1.412 1.00 0.48 ? 5 C A H5 1
|
| 1327 |
+
ATOM 161 H H6 . C A 1 5 ? 28.718 4.014 -0.455 1.00 0.44 ? 5 C A H6 1
|
| 1328 |
+
HETATM 162 P P . 2MG A 1 6 ? 29.672 9.349 -3.733 1.00 0.62 ? 6 2MG A P 1
|
| 1329 |
+
HETATM 163 O OP1 . 2MG A 1 6 ? 30.340 10.153 -4.786 1.00 0.85 ? 6 2MG A OP1 1
|
| 1330 |
+
HETATM 164 O OP2 . 2MG A 1 6 ? 30.002 9.586 -2.302 1.00 0.74 ? 6 2MG A OP2 1
|
| 1331 |
+
HETATM 165 O "O5'" . 2MG A 1 6 ? 28.077 9.406 -3.941 1.00 0.48 ? 6 2MG A "O5'" 1
|
| 1332 |
+
HETATM 166 C "C5'" . 2MG A 1 6 ? 27.447 9.490 -5.230 1.00 0.48 ? 6 2MG A "C5'" 1
|
| 1333 |
+
HETATM 167 C "C4'" . 2MG A 1 6 ? 25.935 9.580 -5.118 1.00 0.37 ? 6 2MG A "C4'" 1
|
| 1334 |
+
HETATM 168 O "O4'" . 2MG A 1 6 ? 25.401 8.354 -4.555 1.00 0.25 ? 6 2MG A "O4'" 1
|
| 1335 |
+
HETATM 169 C "C3'" . 2MG A 1 6 ? 25.339 10.672 -4.216 1.00 0.34 ? 6 2MG A "C3'" 1
|
| 1336 |
+
HETATM 170 O "O3'" . 2MG A 1 6 ? 25.479 11.957 -4.847 1.00 0.54 ? 6 2MG A "O3'" 1
|
| 1337 |
+
HETATM 171 C "C2'" . 2MG A 1 6 ? 23.898 10.170 -4.083 1.00 0.24 ? 6 2MG A "C2'" 1
|
| 1338 |
+
HETATM 172 O "O2'" . 2MG A 1 6 ? 23.089 10.410 -5.231 1.00 0.37 ? 6 2MG A "O2'" 1
|
| 1339 |
+
HETATM 173 C "C1'" . 2MG A 1 6 ? 24.174 8.665 -3.905 1.00 0.21 ? 6 2MG A "C1'" 1
|
| 1340 |
+
HETATM 174 N N9 . 2MG A 1 6 ? 24.267 8.277 -2.494 1.00 0.22 ? 6 2MG A N9 1
|
| 1341 |
+
HETATM 175 C C8 . 2MG A 1 6 ? 25.391 7.986 -1.756 1.00 0.28 ? 6 2MG A C8 1
|
| 1342 |
+
HETATM 176 N N7 . 2MG A 1 6 ? 25.138 7.718 -0.506 1.00 0.34 ? 6 2MG A N7 1
|
| 1343 |
+
HETATM 177 C C5 . 2MG A 1 6 ? 23.755 7.805 -0.420 1.00 0.33 ? 6 2MG A C5 1
|
| 1344 |
+
HETATM 178 C C6 . 2MG A 1 6 ? 22.883 7.599 0.675 1.00 0.41 ? 6 2MG A C6 1
|
| 1345 |
+
HETATM 179 O O6 . 2MG A 1 6 ? 23.157 7.297 1.840 1.00 0.49 ? 6 2MG A O6 1
|
| 1346 |
+
HETATM 180 N N1 . 2MG A 1 6 ? 21.557 7.777 0.311 1.00 0.43 ? 6 2MG A N1 1
|
| 1347 |
+
HETATM 181 C C2 . 2MG A 1 6 ? 21.112 8.126 -0.937 1.00 0.38 ? 6 2MG A C2 1
|
| 1348 |
+
HETATM 182 N N2 . 2MG A 1 6 ? 19.783 8.250 -1.067 1.00 0.45 ? 6 2MG A N2 1
|
| 1349 |
+
HETATM 183 C CM2 . 2MG A 1 6 ? 19.098 8.668 -2.290 1.00 0.43 ? 6 2MG A CM2 1
|
| 1350 |
+
HETATM 184 N N3 . 2MG A 1 6 ? 21.911 8.332 -1.964 1.00 0.30 ? 6 2MG A N3 1
|
| 1351 |
+
HETATM 185 C C4 . 2MG A 1 6 ? 23.206 8.148 -1.635 1.00 0.26 ? 6 2MG A C4 1
|
| 1352 |
+
HETATM 186 H "H5'" . 2MG A 1 6 ? 27.710 8.627 -5.840 1.00 0.50 ? 6 2MG A "H5'" 1
|
| 1353 |
+
HETATM 187 H "H5''" . 2MG A 1 6 ? 27.791 10.382 -5.750 1.00 0.60 ? 6 2MG A "H5''" 1
|
| 1354 |
+
HETATM 188 H "H4'" . 2MG A 1 6 ? 25.571 9.762 -6.131 1.00 0.47 ? 6 2MG A "H4'" 1
|
| 1355 |
+
HETATM 189 H "H3'" . 2MG A 1 6 ? 25.798 10.704 -3.223 1.00 0.36 ? 6 2MG A "H3'" 1
|
| 1356 |
+
HETATM 190 H "H2'" . 2MG A 1 6 ? 23.466 10.580 -3.164 1.00 0.24 ? 6 2MG A "H2'" 1
|
| 1357 |
+
HETATM 191 H "HO2'" . 2MG A 1 6 ? 23.677 10.765 -5.900 1.00 0.43 ? 6 2MG A "HO2'" 1
|
| 1358 |
+
HETATM 192 H "H1'" . 2MG A 1 6 ? 23.397 8.059 -4.371 1.00 0.25 ? 6 2MG A "H1'" 1
|
| 1359 |
+
HETATM 193 H H8 . 2MG A 1 6 ? 26.383 7.942 -2.178 1.00 0.34 ? 6 2MG A H8 1
|
| 1360 |
+
HETATM 194 H HN1 . 2MG A 1 6 ? 20.885 7.625 1.043 1.00 0.51 ? 6 2MG A HN1 1
|
| 1361 |
+
HETATM 195 H HN2 . 2MG A 1 6 ? 19.196 8.082 -0.263 1.00 0.50 ? 6 2MG A HN2 1
|
| 1362 |
+
HETATM 196 H HM21 . 2MG A 1 6 ? 19.621 8.316 -3.167 1.00 1.05 ? 6 2MG A HM21 1
|
| 1363 |
+
HETATM 197 H HM22 . 2MG A 1 6 ? 19.043 9.745 -2.321 1.00 1.12 ? 6 2MG A HM22 1
|
| 1364 |
+
HETATM 198 H HM23 . 2MG A 1 6 ? 18.092 8.277 -2.294 1.00 1.07 ? 6 2MG A HM23 1
|
| 1365 |
+
ATOM 199 P P . G A 1 7 ? 26.348 13.159 -4.212 1.00 0.74 ? 7 G A P 1
|
| 1366 |
+
ATOM 200 O OP1 . G A 1 7 ? 26.341 14.270 -5.191 1.00 0.95 ? 7 G A OP1 1
|
| 1367 |
+
ATOM 201 O OP2 . G A 1 7 ? 27.660 12.609 -3.778 1.00 0.99 ? 7 G A OP2 1
|
| 1368 |
+
ATOM 202 O "O5'" . G A 1 7 ? 25.486 13.601 -2.929 1.00 0.64 ? 7 G A "O5'" 1
|
| 1369 |
+
ATOM 203 C "C5'" . G A 1 7 ? 24.337 14.450 -2.992 1.00 0.56 ? 7 G A "C5'" 1
|
| 1370 |
+
ATOM 204 C "C4'" . G A 1 7 ? 23.027 13.674 -2.881 1.00 0.59 ? 7 G A "C4'" 1
|
| 1371 |
+
ATOM 205 O "O4'" . G A 1 7 ? 22.988 12.881 -1.662 1.00 0.69 ? 7 G A "O4'" 1
|
| 1372 |
+
ATOM 206 C "C3'" . G A 1 7 ? 21.732 14.478 -2.744 1.00 0.72 ? 7 G A "C3'" 1
|
| 1373 |
+
ATOM 207 O "O3'" . G A 1 7 ? 20.608 13.756 -3.299 1.00 0.77 ? 7 G A "O3'" 1
|
| 1374 |
+
ATOM 208 C "C2'" . G A 1 7 ? 21.767 14.746 -1.252 1.00 1.05 ? 7 G A "C2'" 1
|
| 1375 |
+
ATOM 209 O "O2'" . G A 1 7 ? 20.626 15.363 -0.707 1.00 1.69 ? 7 G A "O2'" 1
|
| 1376 |
+
ATOM 210 C "C1'" . G A 1 7 ? 21.957 13.316 -0.769 1.00 0.86 ? 7 G A "C1'" 1
|
| 1377 |
+
ATOM 211 N N9 . G A 1 7 ? 22.468 13.217 0.602 1.00 0.84 ? 7 G A N9 1
|
| 1378 |
+
ATOM 212 C C8 . G A 1 7 ? 23.285 12.211 1.018 1.00 0.80 ? 7 G A C8 1
|
| 1379 |
+
ATOM 213 N N7 . G A 1 7 ? 23.637 12.308 2.271 1.00 0.83 ? 7 G A N7 1
|
| 1380 |
+
ATOM 214 C C5 . G A 1 7 ? 23.033 13.494 2.715 1.00 0.91 ? 7 G A C5 1
|
| 1381 |
+
ATOM 215 C C6 . G A 1 7 ? 23.042 14.170 3.981 1.00 1.04 ? 7 G A C6 1
|
| 1382 |
+
ATOM 216 O O6 . G A 1 7 ? 23.594 13.900 5.049 1.00 1.09 ? 7 G A O6 1
|
| 1383 |
+
ATOM 217 N N1 . G A 1 7 ? 22.290 15.324 3.977 1.00 1.18 ? 7 G A N1 1
|
| 1384 |
+
ATOM 218 C C2 . G A 1 7 ? 21.615 15.753 2.899 1.00 1.19 ? 7 G A C2 1
|
| 1385 |
+
ATOM 219 N N2 . G A 1 7 ? 20.921 16.848 3.007 1.00 1.38 ? 7 G A N2 1
|
| 1386 |
+
ATOM 220 N N3 . G A 1 7 ? 21.556 15.196 1.727 1.00 1.08 ? 7 G A N3 1
|
| 1387 |
+
ATOM 221 C C4 . G A 1 7 ? 22.301 14.063 1.688 1.00 0.93 ? 7 G A C4 1
|
| 1388 |
+
ATOM 222 H "H5'" . G A 1 7 ? 24.332 15.066 -3.892 1.00 0.66 ? 7 G A "H5'" 1
|
| 1389 |
+
ATOM 223 H "H5''" . G A 1 7 ? 24.430 15.136 -2.158 1.00 0.65 ? 7 G A "H5''" 1
|
| 1390 |
+
ATOM 224 H "H4'" . G A 1 7 ? 22.938 13.069 -3.786 1.00 0.65 ? 7 G A "H4'" 1
|
| 1391 |
+
ATOM 225 H "H3'" . G A 1 7 ? 21.779 15.437 -3.207 1.00 0.96 ? 7 G A "H3'" 1
|
| 1392 |
+
ATOM 226 H "H2'" . G A 1 7 ? 22.677 15.312 -1.015 1.00 1.26 ? 7 G A "H2'" 1
|
| 1393 |
+
ATOM 227 H "HO2'" . G A 1 7 ? 20.799 15.350 0.262 1.00 1.92 ? 7 G A "HO2'" 1
|
| 1394 |
+
ATOM 228 H "H1'" . G A 1 7 ? 21.074 12.681 -0.906 1.00 1.13 ? 7 G A "H1'" 1
|
| 1395 |
+
ATOM 229 H H8 . G A 1 7 ? 23.573 11.475 0.276 1.00 0.80 ? 7 G A H8 1
|
| 1396 |
+
ATOM 230 H H1 . G A 1 7 ? 22.273 15.839 4.833 1.00 1.30 ? 7 G A H1 1
|
| 1397 |
+
ATOM 231 H H21 . G A 1 7 ? 20.911 17.437 3.816 1.00 1.50 ? 7 G A H21 1
|
| 1398 |
+
ATOM 232 H H22 . G A 1 7 ? 20.454 17.068 2.144 1.00 1.41 ? 7 G A H22 1
|
| 1399 |
+
HETATM 233 C C2 . MA6 A 1 8 ? 15.501 11.355 2.515 1.00 0.90 ? 8 MA6 A C2 1
|
| 1400 |
+
HETATM 234 C C4 . MA6 A 1 8 ? 16.583 12.568 1.043 1.00 0.90 ? 8 MA6 A C4 1
|
| 1401 |
+
HETATM 235 C C5 . MA6 A 1 8 ? 17.496 13.017 1.984 1.00 1.13 ? 8 MA6 A C5 1
|
| 1402 |
+
HETATM 236 P P . MA6 A 1 8 ? 19.859 14.290 -4.633 1.00 1.18 ? 8 MA6 A P 1
|
| 1403 |
+
HETATM 237 O OP1 . MA6 A 1 8 ? 19.177 13.155 -5.299 1.00 1.59 ? 8 MA6 A OP1 1
|
| 1404 |
+
HETATM 238 O OP2 . MA6 A 1 8 ? 20.887 15.031 -5.411 1.00 1.71 ? 8 MA6 A OP2 1
|
| 1405 |
+
HETATM 239 O "O5'" . MA6 A 1 8 ? 18.777 15.347 -4.042 1.00 1.19 ? 8 MA6 A "O5'" 1
|
| 1406 |
+
HETATM 240 C "C5'" . MA6 A 1 8 ? 17.365 15.156 -3.766 1.00 1.18 ? 8 MA6 A "C5'" 1
|
| 1407 |
+
HETATM 241 C "C4'" . MA6 A 1 8 ? 16.765 13.752 -3.593 1.00 0.90 ? 8 MA6 A "C4'" 1
|
| 1408 |
+
HETATM 242 O "O4'" . MA6 A 1 8 ? 17.332 13.026 -2.462 1.00 0.86 ? 8 MA6 A "O4'" 1
|
| 1409 |
+
HETATM 243 C "C1'" . MA6 A 1 8 ? 16.334 12.900 -1.446 1.00 0.81 ? 8 MA6 A "C1'" 1
|
| 1410 |
+
HETATM 244 N N9 . MA6 A 1 8 ? 16.959 13.139 -0.147 1.00 0.88 ? 8 MA6 A N9 1
|
| 1411 |
+
HETATM 245 N N3 . MA6 A 1 8 ? 15.551 11.731 1.243 1.00 0.81 ? 8 MA6 A N3 1
|
| 1412 |
+
HETATM 246 N N1 . MA6 A 1 8 ? 16.309 11.695 3.523 1.00 1.11 ? 8 MA6 A N1 1
|
| 1413 |
+
HETATM 247 C C6 . MA6 A 1 8 ? 17.349 12.535 3.307 1.00 1.26 ? 8 MA6 A C6 1
|
| 1414 |
+
HETATM 248 N N6 . MA6 A 1 8 ? 18.143 12.828 4.361 1.00 1.56 ? 8 MA6 A N6 1
|
| 1415 |
+
HETATM 249 C C9 . MA6 A 1 8 ? 19.299 13.722 4.220 1.00 1.80 ? 8 MA6 A C9 1
|
| 1416 |
+
HETATM 250 C C10 . MA6 A 1 8 ? 17.966 12.248 5.704 1.00 1.72 ? 8 MA6 A C10 1
|
| 1417 |
+
HETATM 251 N N7 . MA6 A 1 8 ? 18.411 13.885 1.389 1.00 1.25 ? 8 MA6 A N7 1
|
| 1418 |
+
HETATM 252 C C8 . MA6 A 1 8 ? 18.040 13.932 0.129 1.00 1.07 ? 8 MA6 A C8 1
|
| 1419 |
+
HETATM 253 C "C2'" . MA6 A 1 8 ? 15.212 13.860 -1.831 1.00 0.99 ? 8 MA6 A "C2'" 1
|
| 1420 |
+
HETATM 254 O "O2'" . MA6 A 1 8 ? 14.001 13.534 -1.152 1.00 1.27 ? 8 MA6 A "O2'" 1
|
| 1421 |
+
HETATM 255 C "C3'" . MA6 A 1 8 ? 15.247 13.604 -3.353 1.00 0.96 ? 8 MA6 A "C3'" 1
|
| 1422 |
+
HETATM 256 O "O3'" . MA6 A 1 8 ? 14.907 12.285 -3.860 1.00 1.09 ? 8 MA6 A "O3'" 1
|
| 1423 |
+
HETATM 257 H H2 . MA6 A 1 8 ? 14.694 10.679 2.791 1.00 0.86 ? 8 MA6 A H2 1
|
| 1424 |
+
HETATM 258 H "H5'" . MA6 A 1 8 ? 16.850 15.671 -4.579 1.00 1.63 ? 8 MA6 A "H5'" 1
|
| 1425 |
+
HETATM 259 H "H5''" . MA6 A 1 8 ? 17.126 15.727 -2.876 1.00 1.54 ? 8 MA6 A "H5''" 1
|
| 1426 |
+
HETATM 260 H "H4'" . MA6 A 1 8 ? 16.932 13.251 -4.543 1.00 1.04 ? 8 MA6 A "H4'" 1
|
| 1427 |
+
HETATM 261 H "H1'" . MA6 A 1 8 ? 15.983 11.867 -1.475 1.00 0.89 ? 8 MA6 A "H1'" 1
|
| 1428 |
+
HETATM 262 H H91 . MA6 A 1 8 ? 19.717 13.636 3.229 1.00 2.00 ? 8 MA6 A H91 1
|
| 1429 |
+
HETATM 263 H H92 . MA6 A 1 8 ? 20.080 13.477 4.921 1.00 1.86 ? 8 MA6 A H92 1
|
| 1430 |
+
HETATM 264 H H93 . MA6 A 1 8 ? 18.994 14.746 4.383 1.00 2.26 ? 8 MA6 A H93 1
|
| 1431 |
+
HETATM 265 H H101 . MA6 A 1 8 ? 18.640 12.666 6.436 1.00 2.15 ? 8 MA6 A H101 1
|
| 1432 |
+
HETATM 266 H H102 . MA6 A 1 8 ? 18.144 11.184 5.647 1.00 1.94 ? 8 MA6 A H102 1
|
| 1433 |
+
HETATM 267 H H103 . MA6 A 1 8 ? 16.956 12.411 6.054 1.00 1.87 ? 8 MA6 A H103 1
|
| 1434 |
+
HETATM 268 H H8 . MA6 A 1 8 ? 18.502 14.532 -0.645 1.00 1.12 ? 8 MA6 A H8 1
|
| 1435 |
+
HETATM 269 H "H2'" . MA6 A 1 8 ? 15.547 14.883 -1.630 1.00 1.14 ? 8 MA6 A "H2'" 1
|
| 1436 |
+
HETATM 270 H "HO2'" . MA6 A 1 8 ? 13.340 13.325 -1.822 1.00 1.29 ? 8 MA6 A "HO2'" 1
|
| 1437 |
+
HETATM 271 H "H3'" . MA6 A 1 8 ? 14.676 14.317 -3.951 1.00 1.17 ? 8 MA6 A "H3'" 1
|
| 1438 |
+
HETATM 272 C C2 . MA6 A 1 9 ? 18.294 6.847 3.235 1.00 0.76 ? 9 MA6 A C2 1
|
| 1439 |
+
HETATM 273 C C4 . MA6 A 1 9 ? 17.368 8.015 1.638 1.00 0.60 ? 9 MA6 A C4 1
|
| 1440 |
+
HETATM 274 C C5 . MA6 A 1 9 ? 18.407 8.917 1.599 1.00 0.59 ? 9 MA6 A C5 1
|
| 1441 |
+
HETATM 275 P P . MA6 A 1 9 ? 13.523 11.492 -3.627 1.00 1.33 ? 9 MA6 A P 1
|
| 1442 |
+
HETATM 276 O OP1 . MA6 A 1 9 ? 13.240 10.723 -4.859 1.00 1.73 ? 9 MA6 A OP1 1
|
| 1443 |
+
HETATM 277 O OP2 . MA6 A 1 9 ? 12.501 12.453 -3.123 1.00 1.93 ? 9 MA6 A OP2 1
|
| 1444 |
+
HETATM 278 O "O5'" . MA6 A 1 9 ? 13.904 10.450 -2.457 1.00 0.86 ? 9 MA6 A "O5'" 1
|
| 1445 |
+
HETATM 279 C "C5'" . MA6 A 1 9 ? 14.737 9.296 -2.688 1.00 0.56 ? 9 MA6 A "C5'" 1
|
| 1446 |
+
HETATM 280 C "C4'" . MA6 A 1 9 ? 14.352 8.072 -1.859 1.00 0.49 ? 9 MA6 A "C4'" 1
|
| 1447 |
+
HETATM 281 O "O4'" . MA6 A 1 9 ? 15.445 7.514 -1.095 1.00 0.45 ? 9 MA6 A "O4'" 1
|
| 1448 |
+
HETATM 282 C "C1'" . MA6 A 1 9 ? 15.271 7.827 0.279 1.00 0.58 ? 9 MA6 A "C1'" 1
|
| 1449 |
+
HETATM 283 N N9 . MA6 A 1 9 ? 16.510 8.445 0.673 1.00 0.55 ? 9 MA6 A N9 1
|
| 1450 |
+
HETATM 284 N N3 . MA6 A 1 9 ? 17.238 6.949 2.439 1.00 0.69 ? 9 MA6 A N3 1
|
| 1451 |
+
HETATM 285 N N1 . MA6 A 1 9 ? 19.371 7.637 3.310 1.00 0.74 ? 9 MA6 A N1 1
|
| 1452 |
+
HETATM 286 C C6 . MA6 A 1 9 ? 19.464 8.706 2.485 1.00 0.67 ? 9 MA6 A C6 1
|
| 1453 |
+
HETATM 287 N N6 . MA6 A 1 9 ? 20.539 9.498 2.550 1.00 0.73 ? 9 MA6 A N6 1
|
| 1454 |
+
HETATM 288 C C9 . MA6 A 1 9 ? 20.704 10.673 1.690 1.00 0.79 ? 9 MA6 A C9 1
|
| 1455 |
+
HETATM 289 C C10 . MA6 A 1 9 ? 21.640 9.336 3.518 1.00 0.86 ? 9 MA6 A C10 1
|
| 1456 |
+
HETATM 290 N N7 . MA6 A 1 9 ? 18.200 9.904 0.639 1.00 0.59 ? 9 MA6 A N7 1
|
| 1457 |
+
HETATM 291 C C8 . MA6 A 1 9 ? 17.049 9.565 0.128 1.00 0.56 ? 9 MA6 A C8 1
|
| 1458 |
+
HETATM 292 C "C2'" . MA6 A 1 9 ? 14.042 8.732 0.383 1.00 0.71 ? 9 MA6 A "C2'" 1
|
| 1459 |
+
HETATM 293 O "O2'" . MA6 A 1 9 ? 13.423 8.580 1.658 1.00 0.91 ? 9 MA6 A "O2'" 1
|
| 1460 |
+
HETATM 294 C "C3'" . MA6 A 1 9 ? 13.266 8.106 -0.772 1.00 0.65 ? 9 MA6 A "C3'" 1
|
| 1461 |
+
HETATM 295 O "O3'" . MA6 A 1 9 ? 12.631 6.860 -0.365 1.00 0.76 ? 9 MA6 A "O3'" 1
|
| 1462 |
+
HETATM 296 H H2 . MA6 A 1 9 ? 18.287 6.000 3.924 1.00 0.87 ? 9 MA6 A H2 1
|
| 1463 |
+
HETATM 297 H "H5'" . MA6 A 1 9 ? 15.779 9.546 -2.523 1.00 0.97 ? 9 MA6 A "H5'" 1
|
| 1464 |
+
HETATM 298 H "H5''" . MA6 A 1 9 ? 14.666 8.994 -3.733 1.00 1.00 ? 9 MA6 A "H5''" 1
|
| 1465 |
+
HETATM 299 H "H4'" . MA6 A 1 9 ? 14.020 7.406 -2.647 1.00 0.47 ? 9 MA6 A "H4'" 1
|
| 1466 |
+
HETATM 300 H "H1'" . MA6 A 1 9 ? 15.154 6.905 0.835 1.00 0.67 ? 9 MA6 A "H1'" 1
|
| 1467 |
+
HETATM 301 H H91 . MA6 A 1 9 ? 19.798 10.959 1.179 1.00 1.34 ? 9 MA6 A H91 1
|
| 1468 |
+
HETATM 302 H H92 . MA6 A 1 9 ? 21.447 10.449 0.944 1.00 1.28 ? 9 MA6 A H92 1
|
| 1469 |
+
HETATM 303 H H93 . MA6 A 1 9 ? 21.007 11.512 2.295 1.00 1.25 ? 9 MA6 A H93 1
|
| 1470 |
+
HETATM 304 H H101 . MA6 A 1 9 ? 22.560 9.771 3.157 1.00 1.12 ? 9 MA6 A H101 1
|
| 1471 |
+
HETATM 305 H H102 . MA6 A 1 9 ? 21.834 8.293 3.714 1.00 1.48 ? 9 MA6 A H102 1
|
| 1472 |
+
HETATM 306 H H103 . MA6 A 1 9 ? 21.369 9.810 4.452 1.00 1.42 ? 9 MA6 A H103 1
|
| 1473 |
+
HETATM 307 H H8 . MA6 A 1 9 ? 16.509 10.072 -0.646 1.00 0.60 ? 9 MA6 A H8 1
|
| 1474 |
+
HETATM 308 H "H2'" . MA6 A 1 9 ? 14.291 9.767 0.128 1.00 0.72 ? 9 MA6 A "H2'" 1
|
| 1475 |
+
HETATM 309 H "HO2'" . MA6 A 1 9 ? 12.686 7.982 1.528 1.00 1.02 ? 9 MA6 A "HO2'" 1
|
| 1476 |
+
HETATM 310 H "H3'" . MA6 A 1 9 ? 12.501 8.748 -1.135 1.00 0.74 ? 9 MA6 A "H3'" 1
|
| 1477 |
+
ATOM 311 P P . G A 1 10 ? 12.432 5.591 -1.337 1.00 0.90 ? 10 G A P 1
|
| 1478 |
+
ATOM 312 O OP1 . G A 1 10 ? 11.754 6.045 -2.576 1.00 1.15 ? 10 G A OP1 1
|
| 1479 |
+
ATOM 313 O OP2 . G A 1 10 ? 11.804 4.517 -0.525 1.00 1.24 ? 10 G A OP2 1
|
| 1480 |
+
ATOM 314 O "O5'" . G A 1 10 ? 13.928 5.159 -1.713 1.00 1.04 ? 10 G A "O5'" 1
|
| 1481 |
+
ATOM 315 C "C5'" . G A 1 10 ? 14.231 4.367 -2.862 1.00 0.81 ? 10 G A "C5'" 1
|
| 1482 |
+
ATOM 316 C "C4'" . G A 1 10 ? 15.315 4.926 -3.794 1.00 0.55 ? 10 G A "C4'" 1
|
| 1483 |
+
ATOM 317 O "O4'" . G A 1 10 ? 16.202 5.938 -3.208 1.00 0.43 ? 10 G A "O4'" 1
|
| 1484 |
+
ATOM 318 C "C3'" . G A 1 10 ? 16.306 3.837 -4.205 1.00 0.46 ? 10 G A "C3'" 1
|
| 1485 |
+
ATOM 319 O "O3'" . G A 1 10 ? 15.694 2.921 -5.131 1.00 0.50 ? 10 G A "O3'" 1
|
| 1486 |
+
ATOM 320 C "C2'" . G A 1 10 ? 17.475 4.669 -4.743 1.00 0.39 ? 10 G A "C2'" 1
|
| 1487 |
+
ATOM 321 O "O2'" . G A 1 10 ? 17.237 5.271 -6.021 1.00 0.48 ? 10 G A "O2'" 1
|
| 1488 |
+
ATOM 322 C "C1'" . G A 1 10 ? 17.534 5.714 -3.629 1.00 0.36 ? 10 G A "C1'" 1
|
| 1489 |
+
ATOM 323 N N9 . G A 1 10 ? 18.306 5.388 -2.425 1.00 0.36 ? 10 G A N9 1
|
| 1490 |
+
ATOM 324 C C8 . G A 1 10 ? 17.846 5.125 -1.158 1.00 0.38 ? 10 G A C8 1
|
| 1491 |
+
ATOM 325 N N7 . G A 1 10 ? 18.817 4.886 -0.311 1.00 0.38 ? 10 G A N7 1
|
| 1492 |
+
ATOM 326 C C5 . G A 1 10 ? 19.988 4.999 -1.083 1.00 0.36 ? 10 G A C5 1
|
| 1493 |
+
ATOM 327 C C6 . G A 1 10 ? 21.379 4.872 -0.772 1.00 0.37 ? 10 G A C6 1
|
| 1494 |
+
ATOM 328 O O6 . G A 1 10 ? 21.959 4.612 0.288 1.00 0.40 ? 10 G A O6 1
|
| 1495 |
+
ATOM 329 N N1 . G A 1 10 ? 22.187 5.104 -1.871 1.00 0.35 ? 10 G A N1 1
|
| 1496 |
+
ATOM 330 C C2 . G A 1 10 ? 21.723 5.422 -3.095 1.00 0.34 ? 10 G A C2 1
|
| 1497 |
+
ATOM 331 N N2 . G A 1 10 ? 22.585 5.633 -4.049 1.00 0.37 ? 10 G A N2 1
|
| 1498 |
+
ATOM 332 N N3 . G A 1 10 ? 20.482 5.551 -3.448 1.00 0.34 ? 10 G A N3 1
|
| 1499 |
+
ATOM 333 C C4 . G A 1 10 ? 19.672 5.321 -2.387 1.00 0.35 ? 10 G A C4 1
|
| 1500 |
+
ATOM 334 H "H5'" . G A 1 10 ? 13.333 4.148 -3.445 1.00 1.43 ? 10 G A "H5'" 1
|
| 1501 |
+
ATOM 335 H "H5''" . G A 1 10 ? 14.560 3.404 -2.483 1.00 1.39 ? 10 G A "H5''" 1
|
| 1502 |
+
ATOM 336 H "H4'" . G A 1 10 ? 14.814 5.245 -4.717 1.00 0.67 ? 10 G A "H4'" 1
|
| 1503 |
+
ATOM 337 H "H3'" . G A 1 10 ? 16.638 3.285 -3.324 1.00 0.47 ? 10 G A "H3'" 1
|
| 1504 |
+
ATOM 338 H "H2'" . G A 1 10 ? 18.389 4.089 -4.702 1.00 0.41 ? 10 G A "H2'" 1
|
| 1505 |
+
ATOM 339 H "HO2'" . G A 1 10 ? 16.757 4.642 -6.566 1.00 0.93 ? 10 G A "HO2'" 1
|
| 1506 |
+
ATOM 340 H "H1'" . G A 1 10 ? 18.035 6.608 -4.004 1.00 0.34 ? 10 G A "H1'" 1
|
| 1507 |
+
ATOM 341 H H8 . G A 1 10 ? 16.773 5.153 -0.952 1.00 0.42 ? 10 G A H8 1
|
| 1508 |
+
ATOM 342 H H1 . G A 1 10 ? 23.185 5.012 -1.713 1.00 0.35 ? 10 G A H1 1
|
| 1509 |
+
ATOM 343 H H21 . G A 1 10 ? 23.579 5.512 -3.897 1.00 0.38 ? 10 G A H21 1
|
| 1510 |
+
ATOM 344 H H22 . G A 1 10 ? 22.167 5.869 -4.925 1.00 0.37 ? 10 G A H22 1
|
| 1511 |
+
ATOM 345 P P . G A 1 11 ? 15.955 1.329 -5.103 1.00 0.51 ? 11 G A P 1
|
| 1512 |
+
ATOM 346 O OP1 . G A 1 11 ? 15.133 0.685 -6.156 1.00 0.51 ? 11 G A OP1 1
|
| 1513 |
+
ATOM 347 O OP2 . G A 1 11 ? 15.853 0.841 -3.704 1.00 0.58 ? 11 G A OP2 1
|
| 1514 |
+
ATOM 348 O "O5'" . G A 1 11 ? 17.480 1.279 -5.574 1.00 0.50 ? 11 G A "O5'" 1
|
| 1515 |
+
ATOM 349 C "C5'" . G A 1 11 ? 17.855 1.571 -6.927 1.00 0.50 ? 11 G A "C5'" 1
|
| 1516 |
+
ATOM 350 C "C4'" . G A 1 11 ? 19.355 1.671 -7.065 1.00 0.51 ? 11 G A "C4'" 1
|
| 1517 |
+
ATOM 351 O "O4'" . G A 1 11 ? 19.879 2.773 -6.256 1.00 0.45 ? 11 G A "O4'" 1
|
| 1518 |
+
ATOM 352 C "C3'" . G A 1 11 ? 20.202 0.501 -6.567 1.00 0.56 ? 11 G A "C3'" 1
|
| 1519 |
+
ATOM 353 O "O3'" . G A 1 11 ? 20.058 -0.724 -7.304 1.00 0.66 ? 11 G A "O3'" 1
|
| 1520 |
+
ATOM 354 C "C2'" . G A 1 11 ? 21.581 1.172 -6.637 1.00 0.50 ? 11 G A "C2'" 1
|
| 1521 |
+
ATOM 355 O "O2'" . G A 1 11 ? 22.059 1.538 -7.949 1.00 0.53 ? 11 G A "O2'" 1
|
| 1522 |
+
ATOM 356 C "C1'" . G A 1 11 ? 21.195 2.430 -5.853 1.00 0.44 ? 11 G A "C1'" 1
|
| 1523 |
+
ATOM 357 N N9 . G A 1 11 ? 21.287 2.307 -4.391 1.00 0.43 ? 11 G A N9 1
|
| 1524 |
+
ATOM 358 C C8 . G A 1 11 ? 20.291 2.305 -3.441 1.00 0.44 ? 11 G A C8 1
|
| 1525 |
+
ATOM 359 N N7 . G A 1 11 ? 20.751 2.085 -2.242 1.00 0.43 ? 11 G A N7 1
|
| 1526 |
+
ATOM 360 C C5 . G A 1 11 ? 22.138 1.993 -2.393 1.00 0.43 ? 11 G A C5 1
|
| 1527 |
+
ATOM 361 C C6 . G A 1 11 ? 23.200 1.767 -1.464 1.00 0.44 ? 11 G A C6 1
|
| 1528 |
+
ATOM 362 O O6 . G A 1 11 ? 23.201 1.583 -0.247 1.00 0.46 ? 11 G A O6 1
|
| 1529 |
+
ATOM 363 N N1 . G A 1 11 ? 24.429 1.740 -2.080 1.00 0.44 ? 11 G A N1 1
|
| 1530 |
+
ATOM 364 C C2 . G A 1 11 ? 24.608 1.927 -3.397 1.00 0.43 ? 11 G A C2 1
|
| 1531 |
+
ATOM 365 N N2 . G A 1 11 ? 25.837 1.906 -3.819 1.00 0.43 ? 11 G A N2 1
|
| 1532 |
+
ATOM 366 N N3 . G A 1 11 ? 23.696 2.129 -4.300 1.00 0.43 ? 11 G A N3 1
|
| 1533 |
+
ATOM 367 C C4 . G A 1 11 ? 22.474 2.144 -3.720 1.00 0.43 ? 11 G A C4 1
|
| 1534 |
+
ATOM 368 H "H5'" . G A 1 11 ? 17.410 2.512 -7.255 1.00 0.48 ? 11 G A "H5'" 1
|
| 1535 |
+
ATOM 369 H "H5''" . G A 1 11 ? 17.508 0.785 -7.596 1.00 0.54 ? 11 G A "H5''" 1
|
| 1536 |
+
ATOM 370 H "H4'" . G A 1 11 ? 19.559 1.799 -8.131 1.00 0.53 ? 11 G A "H4'" 1
|
| 1537 |
+
ATOM 371 H "H3'" . G A 1 11 ? 19.931 0.293 -5.527 1.00 0.58 ? 11 G A "H3'" 1
|
| 1538 |
+
ATOM 372 H "H2'" . G A 1 11 ? 22.291 0.574 -6.067 1.00 0.48 ? 11 G A "H2'" 1
|
| 1539 |
+
ATOM 373 H "HO2'" . G A 1 11 ? 22.968 1.837 -7.856 1.00 0.48 ? 11 G A "HO2'" 1
|
| 1540 |
+
ATOM 374 H "H1'" . G A 1 11 ? 21.884 3.216 -6.103 1.00 0.43 ? 11 G A "H1'" 1
|
| 1541 |
+
ATOM 375 H H8 . G A 1 11 ? 19.252 2.533 -3.647 1.00 0.46 ? 11 G A H8 1
|
| 1542 |
+
ATOM 376 H H1 . G A 1 11 ? 25.237 1.563 -1.494 1.00 0.44 ? 11 G A H1 1
|
| 1543 |
+
ATOM 377 H H21 . G A 1 11 ? 26.605 1.686 -3.198 1.00 0.42 ? 11 G A H21 1
|
| 1544 |
+
ATOM 378 H H22 . G A 1 11 ? 25.945 2.052 -4.803 1.00 0.43 ? 11 G A H22 1
|
| 1545 |
+
ATOM 379 P P . U A 1 12 ? 20.373 -2.146 -6.599 1.00 0.74 ? 12 U A P 1
|
| 1546 |
+
ATOM 380 O OP1 . U A 1 12 ? 20.053 -3.252 -7.531 1.00 0.91 ? 12 U A OP1 1
|
| 1547 |
+
ATOM 381 O OP2 . U A 1 12 ? 19.801 -2.157 -5.226 1.00 0.83 ? 12 U A OP2 1
|
| 1548 |
+
ATOM 382 O "O5'" . U A 1 12 ? 21.970 -2.064 -6.466 1.00 0.56 ? 12 U A "O5'" 1
|
| 1549 |
+
ATOM 383 C "C5'" . U A 1 12 ? 22.872 -1.877 -7.568 1.00 0.51 ? 12 U A "C5'" 1
|
| 1550 |
+
ATOM 384 C "C4'" . U A 1 12 ? 24.310 -1.829 -7.064 1.00 0.37 ? 12 U A "C4'" 1
|
| 1551 |
+
ATOM 385 O "O4'" . U A 1 12 ? 24.522 -0.769 -6.075 1.00 0.37 ? 12 U A "O4'" 1
|
| 1552 |
+
ATOM 386 C "C3'" . U A 1 12 ? 24.721 -3.082 -6.302 1.00 0.28 ? 12 U A "C3'" 1
|
| 1553 |
+
ATOM 387 O "O3'" . U A 1 12 ? 24.970 -4.179 -7.182 1.00 0.34 ? 12 U A "O3'" 1
|
| 1554 |
+
ATOM 388 C "C2'" . U A 1 12 ? 25.930 -2.608 -5.506 1.00 0.25 ? 12 U A "C2'" 1
|
| 1555 |
+
ATOM 389 O "O2'" . U A 1 12 ? 27.123 -2.388 -6.258 1.00 0.30 ? 12 U A "O2'" 1
|
| 1556 |
+
ATOM 390 C "C1'" . U A 1 12 ? 25.373 -1.262 -5.036 1.00 0.32 ? 12 U A "C1'" 1
|
| 1557 |
+
ATOM 391 N N1 . U A 1 12 ? 24.681 -1.299 -3.709 1.00 0.32 ? 12 U A N1 1
|
| 1558 |
+
ATOM 392 C C2 . U A 1 12 ? 25.439 -1.626 -2.586 1.00 0.30 ? 12 U A C2 1
|
| 1559 |
+
ATOM 393 O O2 . U A 1 12 ? 26.632 -1.883 -2.592 1.00 0.29 ? 12 U A O2 1
|
| 1560 |
+
ATOM 394 N N3 . U A 1 12 ? 24.754 -1.644 -1.422 1.00 0.30 ? 12 U A N3 1
|
| 1561 |
+
ATOM 395 C C4 . U A 1 12 ? 23.438 -1.401 -1.210 1.00 0.33 ? 12 U A C4 1
|
| 1562 |
+
ATOM 396 O O4 . U A 1 12 ? 23.019 -1.548 -0.065 1.00 0.36 ? 12 U A O4 1
|
| 1563 |
+
ATOM 397 C C5 . U A 1 12 ? 22.701 -1.056 -2.386 1.00 0.35 ? 12 U A C5 1
|
| 1564 |
+
ATOM 398 C C6 . U A 1 12 ? 23.334 -1.004 -3.565 1.00 0.35 ? 12 U A C6 1
|
| 1565 |
+
ATOM 399 H "H5'" . U A 1 12 ? 22.652 -0.961 -8.111 1.00 0.54 ? 12 U A "H5'" 1
|
| 1566 |
+
ATOM 400 H "H5''" . U A 1 12 ? 22.783 -2.708 -8.270 1.00 0.58 ? 12 U A "H5''" 1
|
| 1567 |
+
ATOM 401 H "H4'" . U A 1 12 ? 24.964 -1.768 -7.935 1.00 0.39 ? 12 U A "H4'" 1
|
| 1568 |
+
ATOM 402 H "H3'" . U A 1 12 ? 23.942 -3.378 -5.601 1.00 0.38 ? 12 U A "H3'" 1
|
| 1569 |
+
ATOM 403 H "H2'" . U A 1 12 ? 26.048 -3.297 -4.659 1.00 0.22 ? 12 U A "H2'" 1
|
| 1570 |
+
ATOM 404 H "HO2'" . U A 1 12 ? 27.027 -2.820 -7.111 1.00 0.85 ? 12 U A "HO2'" 1
|
| 1571 |
+
ATOM 405 H "H1'" . U A 1 12 ? 26.190 -0.539 -4.954 1.00 0.34 ? 12 U A "H1'" 1
|
| 1572 |
+
ATOM 406 H H3 . U A 1 12 ? 25.304 -1.876 -0.604 1.00 0.30 ? 12 U A H3 1
|
| 1573 |
+
ATOM 407 H H5 . U A 1 12 ? 21.640 -0.804 -2.319 1.00 0.37 ? 12 U A H5 1
|
| 1574 |
+
ATOM 408 H H6 . U A 1 12 ? 22.776 -0.640 -4.438 1.00 0.38 ? 12 U A H6 1
|
| 1575 |
+
ATOM 409 P P . C A 1 13 ? 24.577 -5.674 -6.762 1.00 0.57 ? 13 C A P 1
|
| 1576 |
+
ATOM 410 O OP1 . C A 1 13 ? 24.912 -6.606 -7.865 1.00 0.83 ? 13 C A OP1 1
|
| 1577 |
+
ATOM 411 O OP2 . C A 1 13 ? 23.197 -5.643 -6.212 1.00 0.72 ? 13 C A OP2 1
|
| 1578 |
+
ATOM 412 O "O5'" . C A 1 13 ? 25.621 -5.900 -5.560 1.00 0.44 ? 13 C A "O5'" 1
|
| 1579 |
+
ATOM 413 C "C5'" . C A 1 13 ? 27.059 -5.836 -5.718 1.00 0.47 ? 13 C A "C5'" 1
|
| 1580 |
+
ATOM 414 C "C4'" . C A 1 13 ? 27.769 -6.216 -4.428 1.00 0.40 ? 13 C A "C4'" 1
|
| 1581 |
+
ATOM 415 O "O4'" . C A 1 13 ? 27.379 -5.320 -3.342 1.00 0.32 ? 13 C A "O4'" 1
|
| 1582 |
+
ATOM 416 C "C3'" . C A 1 13 ? 27.340 -7.594 -3.956 1.00 0.42 ? 13 C A "C3'" 1
|
| 1583 |
+
ATOM 417 O "O3'" . C A 1 13 ? 28.057 -8.608 -4.681 1.00 0.50 ? 13 C A "O3'" 1
|
| 1584 |
+
ATOM 418 C "C2'" . C A 1 13 ? 27.561 -7.499 -2.448 1.00 0.39 ? 13 C A "C2'" 1
|
| 1585 |
+
ATOM 419 O "O2'" . C A 1 13 ? 28.771 -8.009 -1.909 1.00 0.44 ? 13 C A "O2'" 1
|
| 1586 |
+
ATOM 420 C "C1'" . C A 1 13 ? 27.419 -6.035 -2.106 1.00 0.31 ? 13 C A "C1'" 1
|
| 1587 |
+
ATOM 421 N N1 . C A 1 13 ? 26.276 -5.671 -1.216 1.00 0.30 ? 13 C A N1 1
|
| 1588 |
+
ATOM 422 C C2 . C A 1 13 ? 26.426 -5.633 0.189 1.00 0.31 ? 13 C A C2 1
|
| 1589 |
+
ATOM 423 O O2 . C A 1 13 ? 27.477 -5.991 0.743 1.00 0.32 ? 13 C A O2 1
|
| 1590 |
+
ATOM 424 N N3 . C A 1 13 ? 25.420 -5.213 0.964 1.00 0.34 ? 13 C A N3 1
|
| 1591 |
+
ATOM 425 C C4 . C A 1 13 ? 24.298 -4.858 0.386 1.00 0.37 ? 13 C A C4 1
|
| 1592 |
+
ATOM 426 N N4 . C A 1 13 ? 23.380 -4.432 1.200 1.00 0.42 ? 13 C A N4 1
|
| 1593 |
+
ATOM 427 C C5 . C A 1 13 ? 24.059 -4.908 -1.005 1.00 0.35 ? 13 C A C5 1
|
| 1594 |
+
ATOM 428 C C6 . C A 1 13 ? 25.072 -5.340 -1.769 1.00 0.31 ? 13 C A C6 1
|
| 1595 |
+
ATOM 429 H "H5'" . C A 1 13 ? 27.395 -4.852 -6.026 1.00 0.47 ? 13 C A "H5'" 1
|
| 1596 |
+
ATOM 430 H "H5''" . C A 1 13 ? 27.379 -6.544 -6.481 1.00 0.61 ? 13 C A "H5''" 1
|
| 1597 |
+
ATOM 431 H "H4'" . C A 1 13 ? 28.845 -6.265 -4.621 1.00 0.46 ? 13 C A "H4'" 1
|
| 1598 |
+
ATOM 432 H "H3'" . C A 1 13 ? 26.275 -7.761 -4.107 1.00 0.43 ? 13 C A "H3'" 1
|
| 1599 |
+
ATOM 433 H "H2'" . C A 1 13 ? 26.672 -7.912 -2.027 1.00 0.41 ? 13 C A "H2'" 1
|
| 1600 |
+
ATOM 434 H "HO2'" . C A 1 13 ? 28.513 -8.709 -1.280 1.00 0.47 ? 13 C A "HO2'" 1
|
| 1601 |
+
ATOM 435 H "H1'" . C A 1 13 ? 28.326 -5.819 -1.559 1.00 0.33 ? 13 C A "H1'" 1
|
| 1602 |
+
ATOM 436 H H41 . C A 1 13 ? 23.680 -4.498 2.180 1.00 0.44 ? 13 C A H41 1
|
| 1603 |
+
ATOM 437 H H42 . C A 1 13 ? 22.477 -4.117 0.909 1.00 0.46 ? 13 C A H42 1
|
| 1604 |
+
ATOM 438 H H5 . C A 1 13 ? 23.099 -4.606 -1.412 1.00 0.38 ? 13 C A H5 1
|
| 1605 |
+
ATOM 439 H H6 . C A 1 13 ? 24.990 -5.480 -2.850 1.00 0.31 ? 13 C A H6 1
|
| 1606 |
+
ATOM 440 P P . C A 1 14 ? 27.401 -10.023 -5.063 1.00 0.67 ? 14 C A P 1
|
| 1607 |
+
ATOM 441 O OP1 . C A 1 14 ? 28.405 -10.856 -5.769 1.00 0.74 ? 14 C A OP1 1
|
| 1608 |
+
ATOM 442 O OP2 . C A 1 14 ? 26.073 -9.779 -5.685 1.00 0.75 ? 14 C A OP2 1
|
| 1609 |
+
ATOM 443 O "O5'" . C A 1 14 ? 27.195 -10.585 -3.565 1.00 0.75 ? 14 C A "O5'" 1
|
| 1610 |
+
ATOM 444 C "C5'" . C A 1 14 ? 28.281 -11.096 -2.760 1.00 0.81 ? 14 C A "C5'" 1
|
| 1611 |
+
ATOM 445 C "C4'" . C A 1 14 ? 27.934 -11.223 -1.279 1.00 0.87 ? 14 C A "C4'" 1
|
| 1612 |
+
ATOM 446 O "O4'" . C A 1 14 ? 27.773 -9.943 -0.574 1.00 0.70 ? 14 C A "O4'" 1
|
| 1613 |
+
ATOM 447 C "C3'" . C A 1 14 ? 26.656 -11.946 -0.903 1.00 0.99 ? 14 C A "C3'" 1
|
| 1614 |
+
ATOM 448 O "O3'" . C A 1 14 ? 26.676 -13.350 -1.175 1.00 1.21 ? 14 C A "O3'" 1
|
| 1615 |
+
ATOM 449 C "C2'" . C A 1 14 ? 26.568 -11.624 0.593 1.00 0.96 ? 14 C A "C2'" 1
|
| 1616 |
+
ATOM 450 O "O2'" . C A 1 14 ? 27.271 -12.488 1.484 1.00 1.10 ? 14 C A "O2'" 1
|
| 1617 |
+
ATOM 451 C "C1'" . C A 1 14 ? 27.106 -10.184 0.671 1.00 0.76 ? 14 C A "C1'" 1
|
| 1618 |
+
ATOM 452 N N1 . C A 1 14 ? 25.972 -9.288 1.052 1.00 0.66 ? 14 C A N1 1
|
| 1619 |
+
ATOM 453 C C2 . C A 1 14 ? 25.697 -8.999 2.403 1.00 0.63 ? 14 C A C2 1
|
| 1620 |
+
ATOM 454 O O2 . C A 1 14 ? 26.449 -9.412 3.293 1.00 0.65 ? 14 C A O2 1
|
| 1621 |
+
ATOM 455 N N3 . C A 1 14 ? 24.610 -8.282 2.732 1.00 0.62 ? 14 C A N3 1
|
| 1622 |
+
ATOM 456 C C4 . C A 1 14 ? 23.818 -7.874 1.766 1.00 0.63 ? 14 C A C4 1
|
| 1623 |
+
ATOM 457 N N4 . C A 1 14 ? 22.764 -7.225 2.158 1.00 0.67 ? 14 C A N4 1
|
| 1624 |
+
ATOM 458 C C5 . C A 1 14 ? 24.043 -8.103 0.390 1.00 0.63 ? 14 C A C5 1
|
| 1625 |
+
ATOM 459 C C6 . C A 1 14 ? 25.148 -8.796 0.088 1.00 0.64 ? 14 C A C6 1
|
| 1626 |
+
ATOM 460 H "H5'" . C A 1 14 ? 29.178 -10.480 -2.865 1.00 0.75 ? 14 C A "H5'" 1
|
| 1627 |
+
ATOM 461 H "H5''" . C A 1 14 ? 28.532 -12.096 -3.112 1.00 0.90 ? 14 C A "H5''" 1
|
| 1628 |
+
ATOM 462 H "H4'" . C A 1 14 ? 28.738 -11.821 -0.842 1.00 0.97 ? 14 C A "H4'" 1
|
| 1629 |
+
ATOM 463 H "H3'" . C A 1 14 ? 25.802 -11.533 -1.445 1.00 0.96 ? 14 C A "H3'" 1
|
| 1630 |
+
ATOM 464 H "HO3'" . C A 1 14 ? 26.979 -13.734 -0.340 1.00 1.57 ? 14 C A "HO3'" 1
|
| 1631 |
+
ATOM 465 H "H2'" . C A 1 14 ? 25.487 -11.583 0.752 1.00 0.99 ? 14 C A "H2'" 1
|
| 1632 |
+
ATOM 466 H "HO2'" . C A 1 14 ? 27.163 -12.146 2.379 1.00 1.54 ? 14 C A "HO2'" 1
|
| 1633 |
+
ATOM 467 H "H1'" . C A 1 14 ? 27.905 -10.104 1.420 1.00 0.78 ? 14 C A "H1'" 1
|
| 1634 |
+
ATOM 468 H H41 . C A 1 14 ? 22.663 -7.096 3.171 1.00 0.70 ? 14 C A H41 1
|
| 1635 |
+
ATOM 469 H H42 . C A 1 14 ? 22.100 -6.878 1.498 1.00 0.69 ? 14 C A H42 1
|
| 1636 |
+
ATOM 470 H H5 . C A 1 14 ? 23.345 -7.740 -0.360 1.00 0.64 ? 14 C A H5 1
|
| 1637 |
+
ATOM 471 H H6 . C A 1 14 ? 25.459 -8.996 -0.926 1.00 0.67 ? 14 C A H6 1
|
| 1638 |
+
#
|
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|
| 1 |
+
data_2U2A
|
| 2 |
+
#
|
| 3 |
+
_entry.id 2U2A
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.392
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 2U2A pdb_00002u2a 10.2210/pdb2u2a/pdb
|
| 15 |
+
WWPDB D_1000178716 ? ?
|
| 16 |
+
#
|
| 17 |
+
loop_
|
| 18 |
+
_pdbx_audit_revision_history.ordinal
|
| 19 |
+
_pdbx_audit_revision_history.data_content_type
|
| 20 |
+
_pdbx_audit_revision_history.major_revision
|
| 21 |
+
_pdbx_audit_revision_history.minor_revision
|
| 22 |
+
_pdbx_audit_revision_history.revision_date
|
| 23 |
+
1 'Structure model' 1 0 1998-03-04
|
| 24 |
+
2 'Structure model' 1 1 2008-03-25
|
| 25 |
+
3 'Structure model' 1 2 2011-07-13
|
| 26 |
+
4 'Structure model' 1 3 2022-03-16
|
| 27 |
+
5 'Structure model' 1 4 2024-05-22
|
| 28 |
+
#
|
| 29 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 30 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 31 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 32 |
+
_pdbx_audit_revision_details.provider repository
|
| 33 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 34 |
+
_pdbx_audit_revision_details.description ?
|
| 35 |
+
_pdbx_audit_revision_details.details ?
|
| 36 |
+
#
|
| 37 |
+
loop_
|
| 38 |
+
_pdbx_audit_revision_group.ordinal
|
| 39 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 40 |
+
_pdbx_audit_revision_group.data_content_type
|
| 41 |
+
_pdbx_audit_revision_group.group
|
| 42 |
+
1 2 'Structure model' 'Version format compliance'
|
| 43 |
+
2 3 'Structure model' 'Version format compliance'
|
| 44 |
+
3 4 'Structure model' 'Database references'
|
| 45 |
+
4 4 'Structure model' 'Derived calculations'
|
| 46 |
+
5 4 'Structure model' Other
|
| 47 |
+
6 5 'Structure model' 'Data collection'
|
| 48 |
+
#
|
| 49 |
+
loop_
|
| 50 |
+
_pdbx_audit_revision_category.ordinal
|
| 51 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 52 |
+
_pdbx_audit_revision_category.data_content_type
|
| 53 |
+
_pdbx_audit_revision_category.category
|
| 54 |
+
1 4 'Structure model' database_2
|
| 55 |
+
2 4 'Structure model' pdbx_database_status
|
| 56 |
+
3 4 'Structure model' pdbx_struct_assembly
|
| 57 |
+
4 4 'Structure model' pdbx_struct_oper_list
|
| 58 |
+
5 5 'Structure model' chem_comp_atom
|
| 59 |
+
6 5 'Structure model' chem_comp_bond
|
| 60 |
+
#
|
| 61 |
+
loop_
|
| 62 |
+
_pdbx_audit_revision_item.ordinal
|
| 63 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 64 |
+
_pdbx_audit_revision_item.data_content_type
|
| 65 |
+
_pdbx_audit_revision_item.item
|
| 66 |
+
1 4 'Structure model' '_database_2.pdbx_DOI'
|
| 67 |
+
2 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 68 |
+
3 4 'Structure model' '_pdbx_database_status.process_site'
|
| 69 |
+
#
|
| 70 |
+
_pdbx_database_status.status_code REL
|
| 71 |
+
_pdbx_database_status.entry_id 2U2A
|
| 72 |
+
_pdbx_database_status.recvd_initial_deposition_date 1997-08-20
|
| 73 |
+
_pdbx_database_status.deposit_site ?
|
| 74 |
+
_pdbx_database_status.process_site BNL
|
| 75 |
+
_pdbx_database_status.SG_entry .
|
| 76 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 77 |
+
_pdbx_database_status.status_code_mr ?
|
| 78 |
+
_pdbx_database_status.status_code_sf ?
|
| 79 |
+
_pdbx_database_status.status_code_cs ?
|
| 80 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 81 |
+
_pdbx_database_status.methods_development_category ?
|
| 82 |
+
#
|
| 83 |
+
_pdbx_database_related.db_name PDB
|
| 84 |
+
_pdbx_database_related.db_id 1U2A
|
| 85 |
+
_pdbx_database_related.details 'MINIMIZED AVERAGE STRUCTURE'
|
| 86 |
+
_pdbx_database_related.content_type unspecified
|
| 87 |
+
#
|
| 88 |
+
loop_
|
| 89 |
+
_audit_author.name
|
| 90 |
+
_audit_author.pdbx_ordinal
|
| 91 |
+
'Stallings, S.C.' 1
|
| 92 |
+
'Moore, P.B.' 2
|
| 93 |
+
#
|
| 94 |
+
loop_
|
| 95 |
+
_citation.id
|
| 96 |
+
_citation.title
|
| 97 |
+
_citation.journal_abbrev
|
| 98 |
+
_citation.journal_volume
|
| 99 |
+
_citation.page_first
|
| 100 |
+
_citation.page_last
|
| 101 |
+
_citation.year
|
| 102 |
+
_citation.journal_id_ASTM
|
| 103 |
+
_citation.country
|
| 104 |
+
_citation.journal_id_ISSN
|
| 105 |
+
_citation.journal_id_CSD
|
| 106 |
+
_citation.book_publisher
|
| 107 |
+
_citation.pdbx_database_id_PubMed
|
| 108 |
+
_citation.pdbx_database_id_DOI
|
| 109 |
+
primary 'The structure of an essential splicing element: stem loop IIa from yeast U2 snRNA.' Structure 5 1173 1185 1997 STRUE6
|
| 110 |
+
UK 0969-2126 2005 ? 9331416 '10.1016/S0969-2126(97)00268-2'
|
| 111 |
+
1 'Efficient Association of U2 Snrnps with Pre-Mrna Requires an Essential U2 RNA Structural Element' 'Genes Dev.' 5 2521 ?
|
| 112 |
+
1991 GEDEEP US 0890-9369 2056 ? ? ?
|
| 113 |
+
2
|
| 114 |
+
'Lethal and Temperature-Sensitive Mutations and Their Suppressors Identify an Essential Structural Element in U2 Small Nuclear RNA'
|
| 115 |
+
'Genes Dev.' 4 2132 ? 1990 GEDEEP US 0890-9369 2056 ? ? ?
|
| 116 |
+
#
|
| 117 |
+
loop_
|
| 118 |
+
_citation_author.citation_id
|
| 119 |
+
_citation_author.name
|
| 120 |
+
_citation_author.ordinal
|
| 121 |
+
_citation_author.identifier_ORCID
|
| 122 |
+
primary 'Stallings, S.C.' 1 ?
|
| 123 |
+
primary 'Moore, P.B.' 2 ?
|
| 124 |
+
1 'Zavanelli, M.I.' 3 ?
|
| 125 |
+
1 'Ares Junior, M.' 4 ?
|
| 126 |
+
2 'Ares Junior, M.' 5 ?
|
| 127 |
+
2 'Igel, A.H.' 6 ?
|
| 128 |
+
#
|
| 129 |
+
_entity.id 1
|
| 130 |
+
_entity.type polymer
|
| 131 |
+
_entity.src_method man
|
| 132 |
+
_entity.pdbx_description
|
| 133 |
+
;RNA (5'-R(P*GP*GP*UP*CP*AP*GP*UP*GP*UP*AP*AP*CP*AP*AP*CP*UP*GP*AP*CP*C)-3')
|
| 134 |
+
;
|
| 135 |
+
_entity.formula_weight 6406.878
|
| 136 |
+
_entity.pdbx_number_of_molecules 1
|
| 137 |
+
_entity.pdbx_ec ?
|
| 138 |
+
_entity.pdbx_mutation
|
| 139 |
+
'TWO TERMINAL BASE PAIRS WERE CHANGED FROM UAS IN STEM LOOP IIA TO GCS IN U2A TO ACCOMMODATE T7 TRANSCRIPTION'
|
| 140 |
+
_entity.pdbx_fragment 'STEM LOOP IIA'
|
| 141 |
+
_entity.details ?
|
| 142 |
+
#
|
| 143 |
+
_entity_poly.entity_id 1
|
| 144 |
+
_entity_poly.type polyribonucleotide
|
| 145 |
+
_entity_poly.nstd_linkage no
|
| 146 |
+
_entity_poly.nstd_monomer no
|
| 147 |
+
_entity_poly.pdbx_seq_one_letter_code GGUCAGUGUAACAACUGACC
|
| 148 |
+
_entity_poly.pdbx_seq_one_letter_code_can GGUCAGUGUAACAACUGACC
|
| 149 |
+
_entity_poly.pdbx_strand_id A
|
| 150 |
+
_entity_poly.pdbx_target_identifier ?
|
| 151 |
+
#
|
| 152 |
+
loop_
|
| 153 |
+
_entity_poly_seq.entity_id
|
| 154 |
+
_entity_poly_seq.num
|
| 155 |
+
_entity_poly_seq.mon_id
|
| 156 |
+
_entity_poly_seq.hetero
|
| 157 |
+
1 1 G n
|
| 158 |
+
1 2 G n
|
| 159 |
+
1 3 U n
|
| 160 |
+
1 4 C n
|
| 161 |
+
1 5 A n
|
| 162 |
+
1 6 G n
|
| 163 |
+
1 7 U n
|
| 164 |
+
1 8 G n
|
| 165 |
+
1 9 U n
|
| 166 |
+
1 10 A n
|
| 167 |
+
1 11 A n
|
| 168 |
+
1 12 C n
|
| 169 |
+
1 13 A n
|
| 170 |
+
1 14 A n
|
| 171 |
+
1 15 C n
|
| 172 |
+
1 16 U n
|
| 173 |
+
1 17 G n
|
| 174 |
+
1 18 A n
|
| 175 |
+
1 19 C n
|
| 176 |
+
1 20 C n
|
| 177 |
+
#
|
| 178 |
+
_entity_src_gen.entity_id 1
|
| 179 |
+
_entity_src_gen.pdbx_src_id 1
|
| 180 |
+
_entity_src_gen.pdbx_alt_source_flag sample
|
| 181 |
+
_entity_src_gen.pdbx_seq_type ?
|
| 182 |
+
_entity_src_gen.pdbx_beg_seq_num ?
|
| 183 |
+
_entity_src_gen.pdbx_end_seq_num ?
|
| 184 |
+
_entity_src_gen.gene_src_common_name
|
| 185 |
+
;baker's yeast
|
| 186 |
+
;
|
| 187 |
+
_entity_src_gen.gene_src_genus Saccharomyces
|
| 188 |
+
_entity_src_gen.pdbx_gene_src_gene ?
|
| 189 |
+
_entity_src_gen.gene_src_species ?
|
| 190 |
+
_entity_src_gen.gene_src_strain ?
|
| 191 |
+
_entity_src_gen.gene_src_tissue ?
|
| 192 |
+
_entity_src_gen.gene_src_tissue_fraction ?
|
| 193 |
+
_entity_src_gen.gene_src_details ?
|
| 194 |
+
_entity_src_gen.pdbx_gene_src_fragment ?
|
| 195 |
+
_entity_src_gen.pdbx_gene_src_scientific_name 'Saccharomyces cerevisiae'
|
| 196 |
+
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 4932
|
| 197 |
+
_entity_src_gen.pdbx_gene_src_variant ?
|
| 198 |
+
_entity_src_gen.pdbx_gene_src_cell_line ?
|
| 199 |
+
_entity_src_gen.pdbx_gene_src_atcc ?
|
| 200 |
+
_entity_src_gen.pdbx_gene_src_organ ?
|
| 201 |
+
_entity_src_gen.pdbx_gene_src_organelle ?
|
| 202 |
+
_entity_src_gen.pdbx_gene_src_cell ?
|
| 203 |
+
_entity_src_gen.pdbx_gene_src_cellular_location ?
|
| 204 |
+
_entity_src_gen.host_org_common_name ?
|
| 205 |
+
_entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli'
|
| 206 |
+
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 562
|
| 207 |
+
_entity_src_gen.host_org_genus Escherichia
|
| 208 |
+
_entity_src_gen.pdbx_host_org_gene ?
|
| 209 |
+
_entity_src_gen.pdbx_host_org_organ ?
|
| 210 |
+
_entity_src_gen.host_org_species ?
|
| 211 |
+
_entity_src_gen.pdbx_host_org_tissue ?
|
| 212 |
+
_entity_src_gen.pdbx_host_org_tissue_fraction ?
|
| 213 |
+
_entity_src_gen.pdbx_host_org_strain ?
|
| 214 |
+
_entity_src_gen.pdbx_host_org_variant ?
|
| 215 |
+
_entity_src_gen.pdbx_host_org_cell_line ?
|
| 216 |
+
_entity_src_gen.pdbx_host_org_atcc ?
|
| 217 |
+
_entity_src_gen.pdbx_host_org_culture_collection ?
|
| 218 |
+
_entity_src_gen.pdbx_host_org_cell ?
|
| 219 |
+
_entity_src_gen.pdbx_host_org_organelle ?
|
| 220 |
+
_entity_src_gen.pdbx_host_org_cellular_location ?
|
| 221 |
+
_entity_src_gen.pdbx_host_org_vector_type T7
|
| 222 |
+
_entity_src_gen.pdbx_host_org_vector ?
|
| 223 |
+
_entity_src_gen.host_org_details ?
|
| 224 |
+
_entity_src_gen.expression_system_id ?
|
| 225 |
+
_entity_src_gen.plasmid_name ?
|
| 226 |
+
_entity_src_gen.plasmid_details ?
|
| 227 |
+
_entity_src_gen.pdbx_description
|
| 228 |
+
'MOLECULE TRANSCRIBED FROM A PARTIALLY SINGLE-STRANDED DNA TEMPLATE USING T7 RNA POLYMERASE'
|
| 229 |
+
#
|
| 230 |
+
loop_
|
| 231 |
+
_chem_comp.id
|
| 232 |
+
_chem_comp.type
|
| 233 |
+
_chem_comp.mon_nstd_flag
|
| 234 |
+
_chem_comp.name
|
| 235 |
+
_chem_comp.pdbx_synonyms
|
| 236 |
+
_chem_comp.formula
|
| 237 |
+
_chem_comp.formula_weight
|
| 238 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 239 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 240 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 241 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 242 |
+
#
|
| 243 |
+
loop_
|
| 244 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 245 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 246 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 247 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 248 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 249 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 250 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 251 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 252 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 253 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 254 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 255 |
+
_pdbx_poly_seq_scheme.hetero
|
| 256 |
+
A 1 1 G 1 1 1 G G A . n
|
| 257 |
+
A 1 2 G 2 2 2 G G A . n
|
| 258 |
+
A 1 3 U 3 3 3 U U A . n
|
| 259 |
+
A 1 4 C 4 4 4 C C A . n
|
| 260 |
+
A 1 5 A 5 5 5 A A A . n
|
| 261 |
+
A 1 6 G 6 6 6 G G A . n
|
| 262 |
+
A 1 7 U 7 7 7 U U A . n
|
| 263 |
+
A 1 8 G 8 8 8 G G A . n
|
| 264 |
+
A 1 9 U 9 9 9 U U A . n
|
| 265 |
+
A 1 10 A 10 10 10 A A A . n
|
| 266 |
+
A 1 11 A 11 11 11 A A A . n
|
| 267 |
+
A 1 12 C 12 12 12 C C A . n
|
| 268 |
+
A 1 13 A 13 13 13 A A A . n
|
| 269 |
+
A 1 14 A 14 14 14 A A A . n
|
| 270 |
+
A 1 15 C 15 15 15 C C A . n
|
| 271 |
+
A 1 16 U 16 16 16 U U A . n
|
| 272 |
+
A 1 17 G 17 17 17 G G A . n
|
| 273 |
+
A 1 18 A 18 18 18 A A A . n
|
| 274 |
+
A 1 19 C 19 19 19 C C A . n
|
| 275 |
+
A 1 20 C 20 20 20 C C A . n
|
| 276 |
+
#
|
| 277 |
+
loop_
|
| 278 |
+
_software.name
|
| 279 |
+
_software.classification
|
| 280 |
+
_software.version
|
| 281 |
+
_software.citation_id
|
| 282 |
+
_software.pdbx_ordinal
|
| 283 |
+
X-PLOR 'model building' 3.851 ? 1
|
| 284 |
+
X-PLOR refinement 3.851 ? 2
|
| 285 |
+
X-PLOR phasing 3.851 ? 3
|
| 286 |
+
#
|
| 287 |
+
_cell.entry_id 2U2A
|
| 288 |
+
_cell.length_a 1.000
|
| 289 |
+
_cell.length_b 1.000
|
| 290 |
+
_cell.length_c 1.000
|
| 291 |
+
_cell.angle_alpha 90.00
|
| 292 |
+
_cell.angle_beta 90.00
|
| 293 |
+
_cell.angle_gamma 90.00
|
| 294 |
+
_cell.Z_PDB 1
|
| 295 |
+
_cell.pdbx_unique_axis ?
|
| 296 |
+
#
|
| 297 |
+
_symmetry.entry_id 2U2A
|
| 298 |
+
_symmetry.space_group_name_H-M 'P 1'
|
| 299 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 300 |
+
_symmetry.cell_setting ?
|
| 301 |
+
_symmetry.Int_Tables_number 1
|
| 302 |
+
#
|
| 303 |
+
_exptl.entry_id 2U2A
|
| 304 |
+
_exptl.method 'SOLUTION NMR'
|
| 305 |
+
_exptl.crystals_number ?
|
| 306 |
+
#
|
| 307 |
+
_database_PDB_matrix.entry_id 2U2A
|
| 308 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 309 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 310 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 311 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 312 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 313 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 314 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 315 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 316 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 317 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 318 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 319 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 320 |
+
#
|
| 321 |
+
_struct.entry_id 2U2A
|
| 322 |
+
_struct.title 'STEM LOOP IIA FROM U2 SNRNA OF SACCHAROMYCES CEREVISIAE, NMR, MINIMIZED AVERAGE STRUCTURE'
|
| 323 |
+
_struct.pdbx_model_details ?
|
| 324 |
+
_struct.pdbx_CASP_flag ?
|
| 325 |
+
_struct.pdbx_model_type_details ?
|
| 326 |
+
#
|
| 327 |
+
_struct_keywords.entry_id 2U2A
|
| 328 |
+
_struct_keywords.pdbx_keywords RNA
|
| 329 |
+
_struct_keywords.text 'PRE-MRNA SPLICING, U2SNRNA, U-TURN, RNA-PROTEIN INTERACTIONS, RIBONUCLEIC ACID, RNA'
|
| 330 |
+
#
|
| 331 |
+
_struct_asym.id A
|
| 332 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag N
|
| 333 |
+
_struct_asym.pdbx_modified N
|
| 334 |
+
_struct_asym.entity_id 1
|
| 335 |
+
_struct_asym.details ?
|
| 336 |
+
#
|
| 337 |
+
_struct_ref.id 1
|
| 338 |
+
_struct_ref.entity_id 1
|
| 339 |
+
_struct_ref.db_name PDB
|
| 340 |
+
_struct_ref.db_code 2U2A
|
| 341 |
+
_struct_ref.pdbx_db_accession 2U2A
|
| 342 |
+
_struct_ref.pdbx_db_isoform ?
|
| 343 |
+
_struct_ref.pdbx_seq_one_letter_code ?
|
| 344 |
+
_struct_ref.pdbx_align_begin ?
|
| 345 |
+
#
|
| 346 |
+
_struct_ref_seq.align_id 1
|
| 347 |
+
_struct_ref_seq.ref_id 1
|
| 348 |
+
_struct_ref_seq.pdbx_PDB_id_code 2U2A
|
| 349 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 350 |
+
_struct_ref_seq.seq_align_beg 1
|
| 351 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 352 |
+
_struct_ref_seq.seq_align_end 20
|
| 353 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 354 |
+
_struct_ref_seq.pdbx_db_accession 2U2A
|
| 355 |
+
_struct_ref_seq.db_align_beg 1
|
| 356 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 357 |
+
_struct_ref_seq.db_align_end 20
|
| 358 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 359 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 360 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 20
|
| 361 |
+
#
|
| 362 |
+
_pdbx_struct_assembly.id 1
|
| 363 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 364 |
+
_pdbx_struct_assembly.method_details ?
|
| 365 |
+
_pdbx_struct_assembly.oligomeric_details monomeric
|
| 366 |
+
_pdbx_struct_assembly.oligomeric_count 1
|
| 367 |
+
#
|
| 368 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 369 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 370 |
+
_pdbx_struct_assembly_gen.asym_id_list A
|
| 371 |
+
#
|
| 372 |
+
_pdbx_struct_oper_list.id 1
|
| 373 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 374 |
+
_pdbx_struct_oper_list.name 1_555
|
| 375 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 376 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 377 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 378 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 379 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 380 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 381 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 382 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 383 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 384 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 385 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 386 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 387 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 388 |
+
#
|
| 389 |
+
_struct_biol.id 1
|
| 390 |
+
#
|
| 391 |
+
loop_
|
| 392 |
+
_struct_conn.id
|
| 393 |
+
_struct_conn.conn_type_id
|
| 394 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 395 |
+
_struct_conn.pdbx_PDB_id
|
| 396 |
+
_struct_conn.ptnr1_label_asym_id
|
| 397 |
+
_struct_conn.ptnr1_label_comp_id
|
| 398 |
+
_struct_conn.ptnr1_label_seq_id
|
| 399 |
+
_struct_conn.ptnr1_label_atom_id
|
| 400 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 401 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 402 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 403 |
+
_struct_conn.ptnr1_symmetry
|
| 404 |
+
_struct_conn.ptnr2_label_asym_id
|
| 405 |
+
_struct_conn.ptnr2_label_comp_id
|
| 406 |
+
_struct_conn.ptnr2_label_seq_id
|
| 407 |
+
_struct_conn.ptnr2_label_atom_id
|
| 408 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 409 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 410 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 411 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 412 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 413 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 414 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 415 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 416 |
+
_struct_conn.ptnr2_symmetry
|
| 417 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 418 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 419 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 420 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 421 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 422 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 423 |
+
_struct_conn.details
|
| 424 |
+
_struct_conn.pdbx_dist_value
|
| 425 |
+
_struct_conn.pdbx_value_order
|
| 426 |
+
_struct_conn.pdbx_role
|
| 427 |
+
hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 20 N3 ? ? A G 1 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 428 |
+
hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 20 O2 ? ? A G 1 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 429 |
+
hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 20 N4 ? ? A G 1 A C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 430 |
+
hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 19 N3 ? ? A G 2 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 431 |
+
hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 19 O2 ? ? A G 2 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 432 |
+
hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 19 N4 ? ? A G 2 A C 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 433 |
+
hydrog7 hydrog ? ? A U 3 N3 ? ? ? 1_555 A A 18 N1 ? ? A U 3 A A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 434 |
+
hydrog8 hydrog ? ? A U 3 O4 ? ? ? 1_555 A A 18 N6 ? ? A U 3 A A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 435 |
+
hydrog9 hydrog ? ? A C 4 N3 ? ? ? 1_555 A G 17 N1 ? ? A C 4 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 436 |
+
hydrog10 hydrog ? ? A C 4 N4 ? ? ? 1_555 A G 17 O6 ? ? A C 4 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 437 |
+
hydrog11 hydrog ? ? A C 4 O2 ? ? ? 1_555 A G 17 N2 ? ? A C 4 A G 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 438 |
+
hydrog12 hydrog ? ? A A 5 N1 ? ? ? 1_555 A U 16 N3 ? ? A A 5 A U 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 439 |
+
hydrog13 hydrog ? ? A A 5 N6 ? ? ? 1_555 A U 16 O4 ? ? A A 5 A U 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 440 |
+
hydrog14 hydrog ? ? A G 6 N1 ? ? ? 1_555 A C 15 N3 ? ? A G 6 A C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 441 |
+
hydrog15 hydrog ? ? A G 6 N2 ? ? ? 1_555 A C 15 O2 ? ? A G 6 A C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 442 |
+
hydrog16 hydrog ? ? A G 6 O6 ? ? ? 1_555 A C 15 N4 ? ? A G 6 A C 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 443 |
+
hydrog17 hydrog ? ? A U 7 N3 ? ? ? 1_555 A A 14 N1 ? ? A U 7 A A 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 444 |
+
hydrog18 hydrog ? ? A U 7 O4 ? ? ? 1_555 A A 14 N6 ? ? A U 7 A A 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 445 |
+
hydrog19 hydrog ? ? A G 8 N2 ? ? ? 1_555 A A 13 N7 ? ? A G 8 A A 13 1_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 446 |
+
hydrog20 hydrog ? ? A G 8 N3 ? ? ? 1_555 A A 13 N6 ? ? A G 8 A A 13 1_555 ? ? ? ? ? ? TYPE_11_PAIR ? ? ?
|
| 447 |
+
#
|
| 448 |
+
_struct_conn_type.id hydrog
|
| 449 |
+
_struct_conn_type.criteria ?
|
| 450 |
+
_struct_conn_type.reference ?
|
| 451 |
+
#
|
| 452 |
+
loop_
|
| 453 |
+
_pdbx_validate_close_contact.id
|
| 454 |
+
_pdbx_validate_close_contact.PDB_model_num
|
| 455 |
+
_pdbx_validate_close_contact.auth_atom_id_1
|
| 456 |
+
_pdbx_validate_close_contact.auth_asym_id_1
|
| 457 |
+
_pdbx_validate_close_contact.auth_comp_id_1
|
| 458 |
+
_pdbx_validate_close_contact.auth_seq_id_1
|
| 459 |
+
_pdbx_validate_close_contact.PDB_ins_code_1
|
| 460 |
+
_pdbx_validate_close_contact.label_alt_id_1
|
| 461 |
+
_pdbx_validate_close_contact.auth_atom_id_2
|
| 462 |
+
_pdbx_validate_close_contact.auth_asym_id_2
|
| 463 |
+
_pdbx_validate_close_contact.auth_comp_id_2
|
| 464 |
+
_pdbx_validate_close_contact.auth_seq_id_2
|
| 465 |
+
_pdbx_validate_close_contact.PDB_ins_code_2
|
| 466 |
+
_pdbx_validate_close_contact.label_alt_id_2
|
| 467 |
+
_pdbx_validate_close_contact.dist
|
| 468 |
+
1 1 O6 A G 1 ? ? H41 A C 20 ? ? 1.47
|
| 469 |
+
2 1 N1 A A 5 ? ? H3 A U 16 ? ? 1.54
|
| 470 |
+
3 1 H21 A G 1 ? ? O2 A C 20 ? ? 1.58
|
| 471 |
+
4 1 H21 A G 6 ? ? O2 A C 15 ? ? 1.58
|
| 472 |
+
5 1 H3 A U 3 ? ? N1 A A 18 ? ? 1.59
|
| 473 |
+
6 1 H1 A G 1 ? ? N3 A C 20 ? ? 1.60
|
| 474 |
+
7 1 O4 A U 7 ? ? H61 A A 14 ? ? 1.60
|
| 475 |
+
8 1 H21 A G 2 ? ? O2 A C 19 ? ? 1.60
|
| 476 |
+
#
|
| 477 |
+
_pdbx_nmr_ensemble.entry_id 2U2A
|
| 478 |
+
_pdbx_nmr_ensemble.conformers_calculated_total_number 15
|
| 479 |
+
_pdbx_nmr_ensemble.conformers_submitted_total_number 1
|
| 480 |
+
_pdbx_nmr_ensemble.conformer_selection_criteria 'LEAST RESTRAINT VIOLATIONS'
|
| 481 |
+
#
|
| 482 |
+
_pdbx_nmr_exptl_sample_conditions.conditions_id 1
|
| 483 |
+
_pdbx_nmr_exptl_sample_conditions.temperature 303
|
| 484 |
+
_pdbx_nmr_exptl_sample_conditions.pressure '1 ATM SOLVENT SYSTEM : 10MM KH2PO4, 50 MM KCL, 15 MM NACL, 0.5 MM EDTA'
|
| 485 |
+
_pdbx_nmr_exptl_sample_conditions.pH 7.6
|
| 486 |
+
_pdbx_nmr_exptl_sample_conditions.ionic_strength '75 mM'
|
| 487 |
+
_pdbx_nmr_exptl_sample_conditions.pressure_units atm
|
| 488 |
+
_pdbx_nmr_exptl_sample_conditions.temperature_units K
|
| 489 |
+
#
|
| 490 |
+
loop_
|
| 491 |
+
_pdbx_nmr_exptl.experiment_id
|
| 492 |
+
_pdbx_nmr_exptl.conditions_id
|
| 493 |
+
_pdbx_nmr_exptl.type
|
| 494 |
+
_pdbx_nmr_exptl.solution_id
|
| 495 |
+
1 1 'NOESY(D2O)' 1
|
| 496 |
+
2 1 'NOESY(H2))' 1
|
| 497 |
+
3 1 DQF-COSY 1
|
| 498 |
+
4 1 HP-COSY 1
|
| 499 |
+
5 1 'HCP SPIN-ECHO DIFFERENCE' 1
|
| 500 |
+
6 1 'CH CT-HSQC' 1
|
| 501 |
+
7 1 '3D HCCH-TOCSY' 1
|
| 502 |
+
8 1 '3D HCCH-TOCSY' 1
|
| 503 |
+
9 1 HCCH-COSY 1
|
| 504 |
+
#
|
| 505 |
+
_pdbx_nmr_refine.entry_id 2U2A
|
| 506 |
+
_pdbx_nmr_refine.method 'molecular dynamics'
|
| 507 |
+
_pdbx_nmr_refine.details
|
| 508 |
+
'REFINEMENT WAS DONE USING TORSION ANGLE MOLECULAR DYNAMICS. DETAILS OF THE PROTOCOL CAN BE FOUND IN THE STRUCTURE CITATION ABOVE.'
|
| 509 |
+
_pdbx_nmr_refine.software_ordinal 1
|
| 510 |
+
#
|
| 511 |
+
loop_
|
| 512 |
+
_pdbx_nmr_software.classification
|
| 513 |
+
_pdbx_nmr_software.name
|
| 514 |
+
_pdbx_nmr_software.version
|
| 515 |
+
_pdbx_nmr_software.authors
|
| 516 |
+
_pdbx_nmr_software.ordinal
|
| 517 |
+
refinement X-PLOR 3.851 BRUNGER 1
|
| 518 |
+
'structure solution' FELIX95 ? ? 2
|
| 519 |
+
'structure solution' XPLOR3.851 ? ? 3
|
| 520 |
+
#
|
| 521 |
+
loop_
|
| 522 |
+
_chem_comp_atom.comp_id
|
| 523 |
+
_chem_comp_atom.atom_id
|
| 524 |
+
_chem_comp_atom.type_symbol
|
| 525 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 526 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 527 |
+
_chem_comp_atom.pdbx_ordinal
|
| 528 |
+
A OP3 O N N 1
|
| 529 |
+
A P P N N 2
|
| 530 |
+
A OP1 O N N 3
|
| 531 |
+
A OP2 O N N 4
|
| 532 |
+
A "O5'" O N N 5
|
| 533 |
+
A "C5'" C N N 6
|
| 534 |
+
A "C4'" C N R 7
|
| 535 |
+
A "O4'" O N N 8
|
| 536 |
+
A "C3'" C N S 9
|
| 537 |
+
A "O3'" O N N 10
|
| 538 |
+
A "C2'" C N R 11
|
| 539 |
+
A "O2'" O N N 12
|
| 540 |
+
A "C1'" C N R 13
|
| 541 |
+
A N9 N Y N 14
|
| 542 |
+
A C8 C Y N 15
|
| 543 |
+
A N7 N Y N 16
|
| 544 |
+
A C5 C Y N 17
|
| 545 |
+
A C6 C Y N 18
|
| 546 |
+
A N6 N N N 19
|
| 547 |
+
A N1 N Y N 20
|
| 548 |
+
A C2 C Y N 21
|
| 549 |
+
A N3 N Y N 22
|
| 550 |
+
A C4 C Y N 23
|
| 551 |
+
A HOP3 H N N 24
|
| 552 |
+
A HOP2 H N N 25
|
| 553 |
+
A "H5'" H N N 26
|
| 554 |
+
A "H5''" H N N 27
|
| 555 |
+
A "H4'" H N N 28
|
| 556 |
+
A "H3'" H N N 29
|
| 557 |
+
A "HO3'" H N N 30
|
| 558 |
+
A "H2'" H N N 31
|
| 559 |
+
A "HO2'" H N N 32
|
| 560 |
+
A "H1'" H N N 33
|
| 561 |
+
A H8 H N N 34
|
| 562 |
+
A H61 H N N 35
|
| 563 |
+
A H62 H N N 36
|
| 564 |
+
A H2 H N N 37
|
| 565 |
+
C OP3 O N N 38
|
| 566 |
+
C P P N N 39
|
| 567 |
+
C OP1 O N N 40
|
| 568 |
+
C OP2 O N N 41
|
| 569 |
+
C "O5'" O N N 42
|
| 570 |
+
C "C5'" C N N 43
|
| 571 |
+
C "C4'" C N R 44
|
| 572 |
+
C "O4'" O N N 45
|
| 573 |
+
C "C3'" C N S 46
|
| 574 |
+
C "O3'" O N N 47
|
| 575 |
+
C "C2'" C N R 48
|
| 576 |
+
C "O2'" O N N 49
|
| 577 |
+
C "C1'" C N R 50
|
| 578 |
+
C N1 N N N 51
|
| 579 |
+
C C2 C N N 52
|
| 580 |
+
C O2 O N N 53
|
| 581 |
+
C N3 N N N 54
|
| 582 |
+
C C4 C N N 55
|
| 583 |
+
C N4 N N N 56
|
| 584 |
+
C C5 C N N 57
|
| 585 |
+
C C6 C N N 58
|
| 586 |
+
C HOP3 H N N 59
|
| 587 |
+
C HOP2 H N N 60
|
| 588 |
+
C "H5'" H N N 61
|
| 589 |
+
C "H5''" H N N 62
|
| 590 |
+
C "H4'" H N N 63
|
| 591 |
+
C "H3'" H N N 64
|
| 592 |
+
C "HO3'" H N N 65
|
| 593 |
+
C "H2'" H N N 66
|
| 594 |
+
C "HO2'" H N N 67
|
| 595 |
+
C "H1'" H N N 68
|
| 596 |
+
C H41 H N N 69
|
| 597 |
+
C H42 H N N 70
|
| 598 |
+
C H5 H N N 71
|
| 599 |
+
C H6 H N N 72
|
| 600 |
+
G OP3 O N N 73
|
| 601 |
+
G P P N N 74
|
| 602 |
+
G OP1 O N N 75
|
| 603 |
+
G OP2 O N N 76
|
| 604 |
+
G "O5'" O N N 77
|
| 605 |
+
G "C5'" C N N 78
|
| 606 |
+
G "C4'" C N R 79
|
| 607 |
+
G "O4'" O N N 80
|
| 608 |
+
G "C3'" C N S 81
|
| 609 |
+
G "O3'" O N N 82
|
| 610 |
+
G "C2'" C N R 83
|
| 611 |
+
G "O2'" O N N 84
|
| 612 |
+
G "C1'" C N R 85
|
| 613 |
+
G N9 N Y N 86
|
| 614 |
+
G C8 C Y N 87
|
| 615 |
+
G N7 N Y N 88
|
| 616 |
+
G C5 C Y N 89
|
| 617 |
+
G C6 C N N 90
|
| 618 |
+
G O6 O N N 91
|
| 619 |
+
G N1 N N N 92
|
| 620 |
+
G C2 C N N 93
|
| 621 |
+
G N2 N N N 94
|
| 622 |
+
G N3 N N N 95
|
| 623 |
+
G C4 C Y N 96
|
| 624 |
+
G HOP3 H N N 97
|
| 625 |
+
G HOP2 H N N 98
|
| 626 |
+
G "H5'" H N N 99
|
| 627 |
+
G "H5''" H N N 100
|
| 628 |
+
G "H4'" H N N 101
|
| 629 |
+
G "H3'" H N N 102
|
| 630 |
+
G "HO3'" H N N 103
|
| 631 |
+
G "H2'" H N N 104
|
| 632 |
+
G "HO2'" H N N 105
|
| 633 |
+
G "H1'" H N N 106
|
| 634 |
+
G H8 H N N 107
|
| 635 |
+
G H1 H N N 108
|
| 636 |
+
G H21 H N N 109
|
| 637 |
+
G H22 H N N 110
|
| 638 |
+
U OP3 O N N 111
|
| 639 |
+
U P P N N 112
|
| 640 |
+
U OP1 O N N 113
|
| 641 |
+
U OP2 O N N 114
|
| 642 |
+
U "O5'" O N N 115
|
| 643 |
+
U "C5'" C N N 116
|
| 644 |
+
U "C4'" C N R 117
|
| 645 |
+
U "O4'" O N N 118
|
| 646 |
+
U "C3'" C N S 119
|
| 647 |
+
U "O3'" O N N 120
|
| 648 |
+
U "C2'" C N R 121
|
| 649 |
+
U "O2'" O N N 122
|
| 650 |
+
U "C1'" C N R 123
|
| 651 |
+
U N1 N N N 124
|
| 652 |
+
U C2 C N N 125
|
| 653 |
+
U O2 O N N 126
|
| 654 |
+
U N3 N N N 127
|
| 655 |
+
U C4 C N N 128
|
| 656 |
+
U O4 O N N 129
|
| 657 |
+
U C5 C N N 130
|
| 658 |
+
U C6 C N N 131
|
| 659 |
+
U HOP3 H N N 132
|
| 660 |
+
U HOP2 H N N 133
|
| 661 |
+
U "H5'" H N N 134
|
| 662 |
+
U "H5''" H N N 135
|
| 663 |
+
U "H4'" H N N 136
|
| 664 |
+
U "H3'" H N N 137
|
| 665 |
+
U "HO3'" H N N 138
|
| 666 |
+
U "H2'" H N N 139
|
| 667 |
+
U "HO2'" H N N 140
|
| 668 |
+
U "H1'" H N N 141
|
| 669 |
+
U H3 H N N 142
|
| 670 |
+
U H5 H N N 143
|
| 671 |
+
U H6 H N N 144
|
| 672 |
+
#
|
| 673 |
+
loop_
|
| 674 |
+
_chem_comp_bond.comp_id
|
| 675 |
+
_chem_comp_bond.atom_id_1
|
| 676 |
+
_chem_comp_bond.atom_id_2
|
| 677 |
+
_chem_comp_bond.value_order
|
| 678 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 679 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 680 |
+
_chem_comp_bond.pdbx_ordinal
|
| 681 |
+
A OP3 P sing N N 1
|
| 682 |
+
A OP3 HOP3 sing N N 2
|
| 683 |
+
A P OP1 doub N N 3
|
| 684 |
+
A P OP2 sing N N 4
|
| 685 |
+
A P "O5'" sing N N 5
|
| 686 |
+
A OP2 HOP2 sing N N 6
|
| 687 |
+
A "O5'" "C5'" sing N N 7
|
| 688 |
+
A "C5'" "C4'" sing N N 8
|
| 689 |
+
A "C5'" "H5'" sing N N 9
|
| 690 |
+
A "C5'" "H5''" sing N N 10
|
| 691 |
+
A "C4'" "O4'" sing N N 11
|
| 692 |
+
A "C4'" "C3'" sing N N 12
|
| 693 |
+
A "C4'" "H4'" sing N N 13
|
| 694 |
+
A "O4'" "C1'" sing N N 14
|
| 695 |
+
A "C3'" "O3'" sing N N 15
|
| 696 |
+
A "C3'" "C2'" sing N N 16
|
| 697 |
+
A "C3'" "H3'" sing N N 17
|
| 698 |
+
A "O3'" "HO3'" sing N N 18
|
| 699 |
+
A "C2'" "O2'" sing N N 19
|
| 700 |
+
A "C2'" "C1'" sing N N 20
|
| 701 |
+
A "C2'" "H2'" sing N N 21
|
| 702 |
+
A "O2'" "HO2'" sing N N 22
|
| 703 |
+
A "C1'" N9 sing N N 23
|
| 704 |
+
A "C1'" "H1'" sing N N 24
|
| 705 |
+
A N9 C8 sing Y N 25
|
| 706 |
+
A N9 C4 sing Y N 26
|
| 707 |
+
A C8 N7 doub Y N 27
|
| 708 |
+
A C8 H8 sing N N 28
|
| 709 |
+
A N7 C5 sing Y N 29
|
| 710 |
+
A C5 C6 sing Y N 30
|
| 711 |
+
A C5 C4 doub Y N 31
|
| 712 |
+
A C6 N6 sing N N 32
|
| 713 |
+
A C6 N1 doub Y N 33
|
| 714 |
+
A N6 H61 sing N N 34
|
| 715 |
+
A N6 H62 sing N N 35
|
| 716 |
+
A N1 C2 sing Y N 36
|
| 717 |
+
A C2 N3 doub Y N 37
|
| 718 |
+
A C2 H2 sing N N 38
|
| 719 |
+
A N3 C4 sing Y N 39
|
| 720 |
+
C OP3 P sing N N 40
|
| 721 |
+
C OP3 HOP3 sing N N 41
|
| 722 |
+
C P OP1 doub N N 42
|
| 723 |
+
C P OP2 sing N N 43
|
| 724 |
+
C P "O5'" sing N N 44
|
| 725 |
+
C OP2 HOP2 sing N N 45
|
| 726 |
+
C "O5'" "C5'" sing N N 46
|
| 727 |
+
C "C5'" "C4'" sing N N 47
|
| 728 |
+
C "C5'" "H5'" sing N N 48
|
| 729 |
+
C "C5'" "H5''" sing N N 49
|
| 730 |
+
C "C4'" "O4'" sing N N 50
|
| 731 |
+
C "C4'" "C3'" sing N N 51
|
| 732 |
+
C "C4'" "H4'" sing N N 52
|
| 733 |
+
C "O4'" "C1'" sing N N 53
|
| 734 |
+
C "C3'" "O3'" sing N N 54
|
| 735 |
+
C "C3'" "C2'" sing N N 55
|
| 736 |
+
C "C3'" "H3'" sing N N 56
|
| 737 |
+
C "O3'" "HO3'" sing N N 57
|
| 738 |
+
C "C2'" "O2'" sing N N 58
|
| 739 |
+
C "C2'" "C1'" sing N N 59
|
| 740 |
+
C "C2'" "H2'" sing N N 60
|
| 741 |
+
C "O2'" "HO2'" sing N N 61
|
| 742 |
+
C "C1'" N1 sing N N 62
|
| 743 |
+
C "C1'" "H1'" sing N N 63
|
| 744 |
+
C N1 C2 sing N N 64
|
| 745 |
+
C N1 C6 sing N N 65
|
| 746 |
+
C C2 O2 doub N N 66
|
| 747 |
+
C C2 N3 sing N N 67
|
| 748 |
+
C N3 C4 doub N N 68
|
| 749 |
+
C C4 N4 sing N N 69
|
| 750 |
+
C C4 C5 sing N N 70
|
| 751 |
+
C N4 H41 sing N N 71
|
| 752 |
+
C N4 H42 sing N N 72
|
| 753 |
+
C C5 C6 doub N N 73
|
| 754 |
+
C C5 H5 sing N N 74
|
| 755 |
+
C C6 H6 sing N N 75
|
| 756 |
+
G OP3 P sing N N 76
|
| 757 |
+
G OP3 HOP3 sing N N 77
|
| 758 |
+
G P OP1 doub N N 78
|
| 759 |
+
G P OP2 sing N N 79
|
| 760 |
+
G P "O5'" sing N N 80
|
| 761 |
+
G OP2 HOP2 sing N N 81
|
| 762 |
+
G "O5'" "C5'" sing N N 82
|
| 763 |
+
G "C5'" "C4'" sing N N 83
|
| 764 |
+
G "C5'" "H5'" sing N N 84
|
| 765 |
+
G "C5'" "H5''" sing N N 85
|
| 766 |
+
G "C4'" "O4'" sing N N 86
|
| 767 |
+
G "C4'" "C3'" sing N N 87
|
| 768 |
+
G "C4'" "H4'" sing N N 88
|
| 769 |
+
G "O4'" "C1'" sing N N 89
|
| 770 |
+
G "C3'" "O3'" sing N N 90
|
| 771 |
+
G "C3'" "C2'" sing N N 91
|
| 772 |
+
G "C3'" "H3'" sing N N 92
|
| 773 |
+
G "O3'" "HO3'" sing N N 93
|
| 774 |
+
G "C2'" "O2'" sing N N 94
|
| 775 |
+
G "C2'" "C1'" sing N N 95
|
| 776 |
+
G "C2'" "H2'" sing N N 96
|
| 777 |
+
G "O2'" "HO2'" sing N N 97
|
| 778 |
+
G "C1'" N9 sing N N 98
|
| 779 |
+
G "C1'" "H1'" sing N N 99
|
| 780 |
+
G N9 C8 sing Y N 100
|
| 781 |
+
G N9 C4 sing Y N 101
|
| 782 |
+
G C8 N7 doub Y N 102
|
| 783 |
+
G C8 H8 sing N N 103
|
| 784 |
+
G N7 C5 sing Y N 104
|
| 785 |
+
G C5 C6 sing N N 105
|
| 786 |
+
G C5 C4 doub Y N 106
|
| 787 |
+
G C6 O6 doub N N 107
|
| 788 |
+
G C6 N1 sing N N 108
|
| 789 |
+
G N1 C2 sing N N 109
|
| 790 |
+
G N1 H1 sing N N 110
|
| 791 |
+
G C2 N2 sing N N 111
|
| 792 |
+
G C2 N3 doub N N 112
|
| 793 |
+
G N2 H21 sing N N 113
|
| 794 |
+
G N2 H22 sing N N 114
|
| 795 |
+
G N3 C4 sing N N 115
|
| 796 |
+
U OP3 P sing N N 116
|
| 797 |
+
U OP3 HOP3 sing N N 117
|
| 798 |
+
U P OP1 doub N N 118
|
| 799 |
+
U P OP2 sing N N 119
|
| 800 |
+
U P "O5'" sing N N 120
|
| 801 |
+
U OP2 HOP2 sing N N 121
|
| 802 |
+
U "O5'" "C5'" sing N N 122
|
| 803 |
+
U "C5'" "C4'" sing N N 123
|
| 804 |
+
U "C5'" "H5'" sing N N 124
|
| 805 |
+
U "C5'" "H5''" sing N N 125
|
| 806 |
+
U "C4'" "O4'" sing N N 126
|
| 807 |
+
U "C4'" "C3'" sing N N 127
|
| 808 |
+
U "C4'" "H4'" sing N N 128
|
| 809 |
+
U "O4'" "C1'" sing N N 129
|
| 810 |
+
U "C3'" "O3'" sing N N 130
|
| 811 |
+
U "C3'" "C2'" sing N N 131
|
| 812 |
+
U "C3'" "H3'" sing N N 132
|
| 813 |
+
U "O3'" "HO3'" sing N N 133
|
| 814 |
+
U "C2'" "O2'" sing N N 134
|
| 815 |
+
U "C2'" "C1'" sing N N 135
|
| 816 |
+
U "C2'" "H2'" sing N N 136
|
| 817 |
+
U "O2'" "HO2'" sing N N 137
|
| 818 |
+
U "C1'" N1 sing N N 138
|
| 819 |
+
U "C1'" "H1'" sing N N 139
|
| 820 |
+
U N1 C2 sing N N 140
|
| 821 |
+
U N1 C6 sing N N 141
|
| 822 |
+
U C2 O2 doub N N 142
|
| 823 |
+
U C2 N3 sing N N 143
|
| 824 |
+
U N3 C4 sing N N 144
|
| 825 |
+
U N3 H3 sing N N 145
|
| 826 |
+
U C4 O4 doub N N 146
|
| 827 |
+
U C4 C5 sing N N 147
|
| 828 |
+
U C5 C6 doub N N 148
|
| 829 |
+
U C5 H5 sing N N 149
|
| 830 |
+
U C6 H6 sing N N 150
|
| 831 |
+
#
|
| 832 |
+
loop_
|
| 833 |
+
_ndb_struct_conf_na.entry_id
|
| 834 |
+
_ndb_struct_conf_na.feature
|
| 835 |
+
2U2A 'double helix'
|
| 836 |
+
2U2A 'a-form double helix'
|
| 837 |
+
2U2A 'hairpin loop'
|
| 838 |
+
2U2A 'mismatched base pair'
|
| 839 |
+
#
|
| 840 |
+
loop_
|
| 841 |
+
_ndb_struct_na_base_pair.model_number
|
| 842 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 843 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 844 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 845 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 846 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 847 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 848 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 849 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 850 |
+
_ndb_struct_na_base_pair.shear
|
| 851 |
+
_ndb_struct_na_base_pair.stretch
|
| 852 |
+
_ndb_struct_na_base_pair.stagger
|
| 853 |
+
_ndb_struct_na_base_pair.buckle
|
| 854 |
+
_ndb_struct_na_base_pair.propeller
|
| 855 |
+
_ndb_struct_na_base_pair.opening
|
| 856 |
+
_ndb_struct_na_base_pair.pair_number
|
| 857 |
+
_ndb_struct_na_base_pair.pair_name
|
| 858 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 859 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 860 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 861 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 862 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 863 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 864 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 865 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 866 |
+
1 A G 1 1_555 A C 20 1_555 -0.185 -0.470 0.010 -1.344 -0.894 -3.056 1 A_G1:C20_A A 1 ? A 20 ? 19 1
|
| 867 |
+
1 A G 2 1_555 A C 19 1_555 -1.077 -0.324 0.029 0.134 -3.198 5.752 2 A_G2:C19_A A 2 ? A 19 ? 19 1
|
| 868 |
+
1 A U 3 1_555 A A 18 1_555 0.109 -0.357 0.017 0.469 -1.228 2.023 3 A_U3:A18_A A 3 ? A 18 ? 20 1
|
| 869 |
+
1 A C 4 1_555 A G 17 1_555 0.905 -0.436 0.019 -0.915 -3.150 2.250 4 A_C4:G17_A A 4 ? A 17 ? 19 1
|
| 870 |
+
1 A A 5 1_555 A U 16 1_555 -0.159 -0.427 -0.068 0.048 -0.702 1.440 5 A_A5:U16_A A 5 ? A 16 ? 20 1
|
| 871 |
+
1 A G 6 1_555 A C 15 1_555 -1.038 -0.356 -0.077 -1.651 -1.047 5.385 6 A_G6:C15_A A 6 ? A 15 ? 19 1
|
| 872 |
+
1 A U 7 1_555 A A 14 1_555 -0.192 -0.301 0.505 -15.501 -2.091 -3.329 7 A_U7:A14_A A 7 ? A 14 ? 20 1
|
| 873 |
+
1 A G 8 1_555 A A 13 1_555 6.052 -3.119 1.775 -0.670 -1.751 -6.704 8 A_G8:A13_A A 8 ? A 13 ? 11 9
|
| 874 |
+
#
|
| 875 |
+
loop_
|
| 876 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 877 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 878 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 879 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 880 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 881 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 882 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 883 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 884 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 885 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 886 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 887 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 888 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 889 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 890 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 891 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 892 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 893 |
+
_ndb_struct_na_base_pair_step.shift
|
| 894 |
+
_ndb_struct_na_base_pair_step.slide
|
| 895 |
+
_ndb_struct_na_base_pair_step.rise
|
| 896 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 897 |
+
_ndb_struct_na_base_pair_step.roll
|
| 898 |
+
_ndb_struct_na_base_pair_step.twist
|
| 899 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 900 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 901 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 902 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 903 |
+
_ndb_struct_na_base_pair_step.tip
|
| 904 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 905 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 906 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 907 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 908 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 909 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 910 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 911 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 912 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 913 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 914 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 915 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 916 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 917 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 918 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 919 |
+
1 A G 1 1_555 A C 20 1_555 A G 2 1_555 A C 19 1_555 0.444 -1.115 3.217 -1.975 17.386 32.542 -3.896 -0.945 2.318 28.594 3.248
|
| 920 |
+
36.835 1 AA_G1G2:C19C20_AA A 1 ? A 20 ? A 2 ? A 19 ?
|
| 921 |
+
1 A G 2 1_555 A C 19 1_555 A U 3 1_555 A A 18 1_555 -0.441 -0.565 3.369 -1.291 18.701 35.203 -3.003 0.499 2.754 28.560 1.972
|
| 922 |
+
39.742 2 AA_G2U3:A18C19_AA A 2 ? A 19 ? A 3 ? A 18 ?
|
| 923 |
+
1 A U 3 1_555 A A 18 1_555 A C 4 1_555 A G 17 1_555 0.359 -0.725 3.446 1.107 19.411 36.079 -3.196 -0.392 2.736 28.905 -1.649
|
| 924 |
+
40.831 3 AA_U3C4:G17A18_AA A 3 ? A 18 ? A 4 ? A 17 ?
|
| 925 |
+
1 A C 4 1_555 A G 17 1_555 A A 5 1_555 A U 16 1_555 0.735 -1.238 3.641 -0.103 -3.296 27.506 -1.682 -1.564 3.758 -6.899 0.217
|
| 926 |
+
27.699 4 AA_C4A5:U16G17_AA A 4 ? A 17 ? A 5 ? A 16 ?
|
| 927 |
+
1 A A 5 1_555 A U 16 1_555 A G 6 1_555 A C 15 1_555 0.100 -1.767 3.960 -0.195 -8.566 25.041 -0.903 -0.287 4.316 -19.057 0.435
|
| 928 |
+
26.444 5 AA_A5G6:C15U16_AA A 5 ? A 16 ? A 6 ? A 15 ?
|
| 929 |
+
1 A G 6 1_555 A C 15 1_555 A U 7 1_555 A A 14 1_555 -1.308 -1.205 3.906 -3.011 16.540 38.084 -3.711 1.480 3.226 23.973 4.364
|
| 930 |
+
41.503 6 AA_G6U7:A14C15_AA A 6 ? A 15 ? A 7 ? A 14 ?
|
| 931 |
+
1 A U 7 1_555 A A 14 1_555 A G 8 1_555 A A 13 1_555 0.066 0.069 2.946 -1.595 14.255 53.953 -0.675 -0.155 2.875 15.407 1.724
|
| 932 |
+
55.689 7 AA_U7G8:A13A14_AA A 7 ? A 14 ? A 8 ? A 13 ?
|
| 933 |
+
#
|
| 934 |
+
loop_
|
| 935 |
+
_pdbx_nmr_spectrometer.spectrometer_id
|
| 936 |
+
_pdbx_nmr_spectrometer.model
|
| 937 |
+
_pdbx_nmr_spectrometer.manufacturer
|
| 938 |
+
_pdbx_nmr_spectrometer.field_strength
|
| 939 |
+
1 OMEGA500 GE 500
|
| 940 |
+
2 UNITY+600 Varian 600
|
| 941 |
+
#
|
| 942 |
+
_atom_sites.entry_id 2U2A
|
| 943 |
+
_atom_sites.fract_transf_matrix[1][1] 1.000000
|
| 944 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 945 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 946 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 947 |
+
_atom_sites.fract_transf_matrix[2][2] 1.000000
|
| 948 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 949 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 950 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 951 |
+
_atom_sites.fract_transf_matrix[3][3] 1.000000
|
| 952 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 953 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 954 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 955 |
+
#
|
| 956 |
+
loop_
|
| 957 |
+
_atom_type.symbol
|
| 958 |
+
C
|
| 959 |
+
H
|
| 960 |
+
N
|
| 961 |
+
O
|
| 962 |
+
P
|
| 963 |
+
#
|
| 964 |
+
loop_
|
| 965 |
+
_atom_site.group_PDB
|
| 966 |
+
_atom_site.id
|
| 967 |
+
_atom_site.type_symbol
|
| 968 |
+
_atom_site.label_atom_id
|
| 969 |
+
_atom_site.label_alt_id
|
| 970 |
+
_atom_site.label_comp_id
|
| 971 |
+
_atom_site.label_asym_id
|
| 972 |
+
_atom_site.label_entity_id
|
| 973 |
+
_atom_site.label_seq_id
|
| 974 |
+
_atom_site.pdbx_PDB_ins_code
|
| 975 |
+
_atom_site.Cartn_x
|
| 976 |
+
_atom_site.Cartn_y
|
| 977 |
+
_atom_site.Cartn_z
|
| 978 |
+
_atom_site.occupancy
|
| 979 |
+
_atom_site.B_iso_or_equiv
|
| 980 |
+
_atom_site.pdbx_formal_charge
|
| 981 |
+
_atom_site.auth_seq_id
|
| 982 |
+
_atom_site.auth_comp_id
|
| 983 |
+
_atom_site.auth_asym_id
|
| 984 |
+
_atom_site.auth_atom_id
|
| 985 |
+
_atom_site.pdbx_PDB_model_num
|
| 986 |
+
ATOM 1 O OP3 . G A 1 1 ? 27.465 -1.589 11.140 1.00 0.00 ? 1 G A OP3 1
|
| 987 |
+
ATOM 2 P P . G A 1 1 ? 26.762 -2.400 9.963 1.00 0.00 ? 1 G A P 1
|
| 988 |
+
ATOM 3 O OP1 . G A 1 1 ? 27.621 -3.564 9.630 1.00 0.00 ? 1 G A OP1 1
|
| 989 |
+
ATOM 4 O OP2 . G A 1 1 ? 26.382 -1.438 8.898 1.00 0.00 ? 1 G A OP2 1
|
| 990 |
+
ATOM 5 O "O5'" . G A 1 1 ? 25.430 -2.929 10.660 1.00 0.00 ? 1 G A "O5'" 1
|
| 991 |
+
ATOM 6 C "C5'" . G A 1 1 ? 25.171 -4.326 10.789 1.00 0.00 ? 1 G A "C5'" 1
|
| 992 |
+
ATOM 7 C "C4'" . G A 1 1 ? 23.906 -4.549 11.585 1.00 0.00 ? 1 G A "C4'" 1
|
| 993 |
+
ATOM 8 O "O4'" . G A 1 1 ? 24.212 -4.379 12.997 1.00 0.00 ? 1 G A "O4'" 1
|
| 994 |
+
ATOM 9 C "C3'" . G A 1 1 ? 22.775 -3.567 11.298 1.00 0.00 ? 1 G A "C3'" 1
|
| 995 |
+
ATOM 10 O "O3'" . G A 1 1 ? 21.929 -4.036 10.253 1.00 0.00 ? 1 G A "O3'" 1
|
| 996 |
+
ATOM 11 C "C2'" . G A 1 1 ? 22.052 -3.488 12.637 1.00 0.00 ? 1 G A "C2'" 1
|
| 997 |
+
ATOM 12 O "O2'" . G A 1 1 ? 21.219 -4.614 12.835 1.00 0.00 ? 1 G A "O2'" 1
|
| 998 |
+
ATOM 13 C "C1'" . G A 1 1 ? 23.226 -3.568 13.608 1.00 0.00 ? 1 G A "C1'" 1
|
| 999 |
+
ATOM 14 N N9 . G A 1 1 ? 23.824 -2.273 13.922 1.00 0.00 ? 1 G A N9 1
|
| 1000 |
+
ATOM 15 C C8 . G A 1 1 ? 24.951 -1.724 13.361 1.00 0.00 ? 1 G A C8 1
|
| 1001 |
+
ATOM 16 N N7 . G A 1 1 ? 25.249 -0.551 13.846 1.00 0.00 ? 1 G A N7 1
|
| 1002 |
+
ATOM 17 C C5 . G A 1 1 ? 24.257 -0.307 14.786 1.00 0.00 ? 1 G A C5 1
|
| 1003 |
+
ATOM 18 C C6 . G A 1 1 ? 24.052 0.808 15.638 1.00 0.00 ? 1 G A C6 1
|
| 1004 |
+
ATOM 19 O O6 . G A 1 1 ? 24.728 1.839 15.736 1.00 0.00 ? 1 G A O6 1
|
| 1005 |
+
ATOM 20 N N1 . G A 1 1 ? 22.925 0.641 16.435 1.00 0.00 ? 1 G A N1 1
|
| 1006 |
+
ATOM 21 C C2 . G A 1 1 ? 22.099 -0.454 16.415 1.00 0.00 ? 1 G A C2 1
|
| 1007 |
+
ATOM 22 N N2 . G A 1 1 ? 21.062 -0.426 17.261 1.00 0.00 ? 1 G A N2 1
|
| 1008 |
+
ATOM 23 N N3 . G A 1 1 ? 22.277 -1.499 15.626 1.00 0.00 ? 1 G A N3 1
|
| 1009 |
+
ATOM 24 C C4 . G A 1 1 ? 23.368 -1.361 14.844 1.00 0.00 ? 1 G A C4 1
|
| 1010 |
+
ATOM 25 H "H5'" . G A 1 1 ? 26.005 -4.810 11.299 1.00 0.00 ? 1 G A "H5'" 1
|
| 1011 |
+
ATOM 26 H "H5''" . G A 1 1 ? 25.052 -4.773 9.803 1.00 0.00 ? 1 G A "H5''" 1
|
| 1012 |
+
ATOM 27 H "H4'" . G A 1 1 ? 23.530 -5.542 11.336 1.00 0.00 ? 1 G A "H4'" 1
|
| 1013 |
+
ATOM 28 H "H3'" . G A 1 1 ? 23.155 -2.600 10.969 1.00 0.00 ? 1 G A "H3'" 1
|
| 1014 |
+
ATOM 29 H "H2'" . G A 1 1 ? 21.515 -2.544 12.731 1.00 0.00 ? 1 G A "H2'" 1
|
| 1015 |
+
ATOM 30 H "HO2'" . G A 1 1 ? 21.063 -4.994 11.970 1.00 0.00 ? 1 G A "HO2'" 1
|
| 1016 |
+
ATOM 31 H "H1'" . G A 1 1 ? 22.951 -4.052 14.547 1.00 0.00 ? 1 G A "H1'" 1
|
| 1017 |
+
ATOM 32 H H8 . G A 1 1 ? 25.532 -2.215 12.595 1.00 0.00 ? 1 G A H8 1
|
| 1018 |
+
ATOM 33 H H1 . G A 1 1 ? 22.698 1.386 17.079 1.00 0.00 ? 1 G A H1 1
|
| 1019 |
+
ATOM 34 H H21 . G A 1 1 ? 20.918 0.369 17.871 1.00 0.00 ? 1 G A H21 1
|
| 1020 |
+
ATOM 35 H H22 . G A 1 1 ? 20.420 -1.205 17.292 1.00 0.00 ? 1 G A H22 1
|
| 1021 |
+
ATOM 36 H "HO5'" . G A 1 1 ? 28.317 -2.005 11.282 1.00 0.00 ? 1 G A "HO5'" 1
|
| 1022 |
+
ATOM 37 P P . G A 1 2 ? 21.058 -2.988 9.400 1.00 0.00 ? 2 G A P 1
|
| 1023 |
+
ATOM 38 O OP1 . G A 1 2 ? 20.245 -3.768 8.432 1.00 0.00 ? 2 G A OP1 1
|
| 1024 |
+
ATOM 39 O OP2 . G A 1 2 ? 21.959 -1.918 8.904 1.00 0.00 ? 2 G A OP2 1
|
| 1025 |
+
ATOM 40 O "O5'" . G A 1 2 ? 20.065 -2.349 10.470 1.00 0.00 ? 2 G A "O5'" 1
|
| 1026 |
+
ATOM 41 C "C5'" . G A 1 2 ? 19.050 -3.134 11.093 1.00 0.00 ? 2 G A "C5'" 1
|
| 1027 |
+
ATOM 42 C "C4'" . G A 1 2 ? 18.057 -2.238 11.793 1.00 0.00 ? 2 G A "C4'" 1
|
| 1028 |
+
ATOM 43 O "O4'" . G A 1 2 ? 18.622 -1.803 13.061 1.00 0.00 ? 2 G A "O4'" 1
|
| 1029 |
+
ATOM 44 C "C3'" . G A 1 2 ? 17.720 -0.951 11.051 1.00 0.00 ? 2 G A "C3'" 1
|
| 1030 |
+
ATOM 45 O "O3'" . G A 1 2 ? 16.642 -1.149 10.141 1.00 0.00 ? 2 G A "O3'" 1
|
| 1031 |
+
ATOM 46 C "C2'" . G A 1 2 ? 17.366 0.004 12.184 1.00 0.00 ? 2 G A "C2'" 1
|
| 1032 |
+
ATOM 47 O "O2'" . G A 1 2 ? 16.059 -0.238 12.668 1.00 0.00 ? 2 G A "O2'" 1
|
| 1033 |
+
ATOM 48 C "C1'" . G A 1 2 ? 18.370 -0.423 13.252 1.00 0.00 ? 2 G A "C1'" 1
|
| 1034 |
+
ATOM 49 N N9 . G A 1 2 ? 19.644 0.288 13.188 1.00 0.00 ? 2 G A N9 1
|
| 1035 |
+
ATOM 50 C C8 . G A 1 2 ? 20.769 -0.090 12.495 1.00 0.00 ? 2 G A C8 1
|
| 1036 |
+
ATOM 51 N N7 . G A 1 2 ? 21.768 0.735 12.645 1.00 0.00 ? 2 G A N7 1
|
| 1037 |
+
ATOM 52 C C5 . G A 1 2 ? 21.271 1.725 13.481 1.00 0.00 ? 2 G A C5 1
|
| 1038 |
+
ATOM 53 C C6 . G A 1 2 ? 21.893 2.893 13.994 1.00 0.00 ? 2 G A C6 1
|
| 1039 |
+
ATOM 54 O O6 . G A 1 2 ? 23.046 3.300 13.809 1.00 0.00 ? 2 G A O6 1
|
| 1040 |
+
ATOM 55 N N1 . G A 1 2 ? 21.026 3.621 14.801 1.00 0.00 ? 2 G A N1 1
|
| 1041 |
+
ATOM 56 C C2 . G A 1 2 ? 19.729 3.274 15.078 1.00 0.00 ? 2 G A C2 1
|
| 1042 |
+
ATOM 57 N N2 . G A 1 2 ? 19.057 4.105 15.881 1.00 0.00 ? 2 G A N2 1
|
| 1043 |
+
ATOM 58 N N3 . G A 1 2 ? 19.135 2.192 14.605 1.00 0.00 ? 2 G A N3 1
|
| 1044 |
+
ATOM 59 C C4 . G A 1 2 ? 19.959 1.467 13.821 1.00 0.00 ? 2 G A C4 1
|
| 1045 |
+
ATOM 60 H "H5'" . G A 1 2 ? 19.501 -3.808 11.823 1.00 0.00 ? 2 G A "H5'" 1
|
| 1046 |
+
ATOM 61 H "H5''" . G A 1 2 ? 18.526 -3.725 10.343 1.00 0.00 ? 2 G A "H5''" 1
|
| 1047 |
+
ATOM 62 H "H4'" . G A 1 2 ? 17.125 -2.795 11.898 1.00 0.00 ? 2 G A "H4'" 1
|
| 1048 |
+
ATOM 63 H "H3'" . G A 1 2 ? 18.561 -0.600 10.454 1.00 0.00 ? 2 G A "H3'" 1
|
| 1049 |
+
ATOM 64 H "H2'" . G A 1 2 ? 17.518 1.040 11.878 1.00 0.00 ? 2 G A "H2'" 1
|
| 1050 |
+
ATOM 65 H "HO2'" . G A 1 2 ? 15.672 -0.894 12.088 1.00 0.00 ? 2 G A "HO2'" 1
|
| 1051 |
+
ATOM 66 H "H1'" . G A 1 2 ? 17.970 -0.309 14.260 1.00 0.00 ? 2 G A "H1'" 1
|
| 1052 |
+
ATOM 67 H H8 . G A 1 2 ? 20.818 -0.977 11.882 1.00 0.00 ? 2 G A H8 1
|
| 1053 |
+
ATOM 68 H H1 . G A 1 2 ? 21.383 4.470 15.213 1.00 0.00 ? 2 G A H1 1
|
| 1054 |
+
ATOM 69 H H21 . G A 1 2 ? 19.515 4.935 16.239 1.00 0.00 ? 2 G A H21 1
|
| 1055 |
+
ATOM 70 H H22 . G A 1 2 ? 18.098 3.907 16.125 1.00 0.00 ? 2 G A H22 1
|
| 1056 |
+
ATOM 71 P P . U A 1 3 ? 16.594 -0.316 8.766 1.00 0.00 ? 3 U A P 1
|
| 1057 |
+
ATOM 72 O OP1 . U A 1 3 ? 15.510 -0.896 7.934 1.00 0.00 ? 3 U A OP1 1
|
| 1058 |
+
ATOM 73 O OP2 . U A 1 3 ? 17.972 -0.227 8.219 1.00 0.00 ? 3 U A OP2 1
|
| 1059 |
+
ATOM 74 O "O5'" . U A 1 3 ? 16.144 1.143 9.222 1.00 0.00 ? 3 U A "O5'" 1
|
| 1060 |
+
ATOM 75 C "C5'" . U A 1 3 ? 14.953 1.339 9.981 1.00 0.00 ? 3 U A "C5'" 1
|
| 1061 |
+
ATOM 76 C "C4'" . U A 1 3 ? 14.803 2.796 10.347 1.00 0.00 ? 3 U A "C4'" 1
|
| 1062 |
+
ATOM 77 O "O4'" . U A 1 3 ? 15.673 3.091 11.473 1.00 0.00 ? 3 U A "O4'" 1
|
| 1063 |
+
ATOM 78 C "C3'" . U A 1 3 ? 15.218 3.779 9.262 1.00 0.00 ? 3 U A "C3'" 1
|
| 1064 |
+
ATOM 79 O "O3'" . U A 1 3 ? 14.137 4.049 8.375 1.00 0.00 ? 3 U A "O3'" 1
|
| 1065 |
+
ATOM 80 C "C2'" . U A 1 3 ? 15.641 5.003 10.064 1.00 0.00 ? 3 U A "C2'" 1
|
| 1066 |
+
ATOM 81 O "O2'" . U A 1 3 ? 14.515 5.744 10.495 1.00 0.00 ? 3 U A "O2'" 1
|
| 1067 |
+
ATOM 82 C "C1'" . U A 1 3 ? 16.293 4.351 11.283 1.00 0.00 ? 3 U A "C1'" 1
|
| 1068 |
+
ATOM 83 N N1 . U A 1 3 ? 17.741 4.135 11.147 1.00 0.00 ? 3 U A N1 1
|
| 1069 |
+
ATOM 84 C C2 . U A 1 3 ? 18.584 5.146 11.568 1.00 0.00 ? 3 U A C2 1
|
| 1070 |
+
ATOM 85 O O2 . U A 1 3 ? 18.178 6.200 12.022 1.00 0.00 ? 3 U A O2 1
|
| 1071 |
+
ATOM 86 N N3 . U A 1 3 ? 19.923 4.879 11.437 1.00 0.00 ? 3 U A N3 1
|
| 1072 |
+
ATOM 87 C C4 . U A 1 3 ? 20.495 3.731 10.937 1.00 0.00 ? 3 U A C4 1
|
| 1073 |
+
ATOM 88 O O4 . U A 1 3 ? 21.722 3.637 10.891 1.00 0.00 ? 3 U A O4 1
|
| 1074 |
+
ATOM 89 C C5 . U A 1 3 ? 19.558 2.737 10.514 1.00 0.00 ? 3 U A C5 1
|
| 1075 |
+
ATOM 90 C C6 . U A 1 3 ? 18.245 2.964 10.626 1.00 0.00 ? 3 U A C6 1
|
| 1076 |
+
ATOM 91 H "H5'" . U A 1 3 ? 14.996 0.742 10.894 1.00 0.00 ? 3 U A "H5'" 1
|
| 1077 |
+
ATOM 92 H "H5''" . U A 1 3 ? 14.087 1.030 9.397 1.00 0.00 ? 3 U A "H5''" 1
|
| 1078 |
+
ATOM 93 H "H4'" . U A 1 3 ? 13.747 2.978 10.551 1.00 0.00 ? 3 U A "H4'" 1
|
| 1079 |
+
ATOM 94 H "H3'" . U A 1 3 ? 16.025 3.382 8.647 1.00 0.00 ? 3 U A "H3'" 1
|
| 1080 |
+
ATOM 95 H "H2'" . U A 1 3 ? 16.353 5.607 9.501 1.00 0.00 ? 3 U A "H2'" 1
|
| 1081 |
+
ATOM 96 H "HO2'" . U A 1 3 ? 13.761 5.395 10.020 1.00 0.00 ? 3 U A "HO2'" 1
|
| 1082 |
+
ATOM 97 H "H1'" . U A 1 3 ? 16.123 4.927 12.193 1.00 0.00 ? 3 U A "H1'" 1
|
| 1083 |
+
ATOM 98 H H3 . U A 1 3 ? 20.557 5.604 11.742 1.00 0.00 ? 3 U A H3 1
|
| 1084 |
+
ATOM 99 H H5 . U A 1 3 ? 19.915 1.794 10.100 1.00 0.00 ? 3 U A H5 1
|
| 1085 |
+
ATOM 100 H H6 . U A 1 3 ? 17.549 2.195 10.291 1.00 0.00 ? 3 U A H6 1
|
| 1086 |
+
ATOM 101 P P . C A 1 4 ? 14.423 4.259 6.807 1.00 0.00 ? 4 C A P 1
|
| 1087 |
+
ATOM 102 O OP1 . C A 1 4 ? 13.121 4.230 6.093 1.00 0.00 ? 4 C A OP1 1
|
| 1088 |
+
ATOM 103 O OP2 . C A 1 4 ? 15.498 3.315 6.409 1.00 0.00 ? 4 C A OP2 1
|
| 1089 |
+
ATOM 104 O "O5'" . C A 1 4 ? 15.004 5.739 6.722 1.00 0.00 ? 4 C A "O5'" 1
|
| 1090 |
+
ATOM 105 C "C5'" . C A 1 4 ? 14.295 6.837 7.290 1.00 0.00 ? 4 C A "C5'" 1
|
| 1091 |
+
ATOM 106 C "C4'" . C A 1 4 ? 15.194 8.047 7.378 1.00 0.00 ? 4 C A "C4'" 1
|
| 1092 |
+
ATOM 107 O "O4'" . C A 1 4 ? 16.151 7.850 8.453 1.00 0.00 ? 4 C A "O4'" 1
|
| 1093 |
+
ATOM 108 C "C3'" . C A 1 4 ? 16.058 8.310 6.154 1.00 0.00 ? 4 C A "C3'" 1
|
| 1094 |
+
ATOM 109 O "O3'" . C A 1 4 ? 15.343 9.030 5.155 1.00 0.00 ? 4 C A "O3'" 1
|
| 1095 |
+
ATOM 110 C "C2'" . C A 1 4 ? 17.217 9.106 6.739 1.00 0.00 ? 4 C A "C2'" 1
|
| 1096 |
+
ATOM 111 O "O2'" . C A 1 4 ? 16.858 10.457 6.965 1.00 0.00 ? 4 C A "O2'" 1
|
| 1097 |
+
ATOM 112 C "C1'" . C A 1 4 ? 17.397 8.421 8.094 1.00 0.00 ? 4 C A "C1'" 1
|
| 1098 |
+
ATOM 113 N N1 . C A 1 4 ? 18.415 7.357 8.091 1.00 0.00 ? 4 C A N1 1
|
| 1099 |
+
ATOM 114 C C2 . C A 1 4 ? 19.744 7.699 8.343 1.00 0.00 ? 4 C A C2 1
|
| 1100 |
+
ATOM 115 O O2 . C A 1 4 ? 20.031 8.888 8.542 1.00 0.00 ? 4 C A O2 1
|
| 1101 |
+
ATOM 116 N N3 . C A 1 4 ? 20.686 6.729 8.363 1.00 0.00 ? 4 C A N3 1
|
| 1102 |
+
ATOM 117 C C4 . C A 1 4 ? 20.340 5.460 8.143 1.00 0.00 ? 4 C A C4 1
|
| 1103 |
+
ATOM 118 N N4 . C A 1 4 ? 21.302 4.537 8.180 1.00 0.00 ? 4 C A N4 1
|
| 1104 |
+
ATOM 119 C C5 . C A 1 4 ? 18.992 5.081 7.876 1.00 0.00 ? 4 C A C5 1
|
| 1105 |
+
ATOM 120 C C6 . C A 1 4 ? 18.071 6.054 7.856 1.00 0.00 ? 4 C A C6 1
|
| 1106 |
+
ATOM 121 H "H5'" . C A 1 4 ? 13.948 6.574 8.290 1.00 0.00 ? 4 C A "H5'" 1
|
| 1107 |
+
ATOM 122 H "H5''" . C A 1 4 ? 13.434 7.081 6.669 1.00 0.00 ? 4 C A "H5''" 1
|
| 1108 |
+
ATOM 123 H "H4'" . C A 1 4 ? 14.559 8.923 7.513 1.00 0.00 ? 4 C A "H4'" 1
|
| 1109 |
+
ATOM 124 H "H3'" . C A 1 4 ? 16.382 7.382 5.685 1.00 0.00 ? 4 C A "H3'" 1
|
| 1110 |
+
ATOM 125 H "H2'" . C A 1 4 ? 18.107 9.005 6.117 1.00 0.00 ? 4 C A "H2'" 1
|
| 1111 |
+
ATOM 126 H "HO2'" . C A 1 4 ? 17.544 10.995 6.567 1.00 0.00 ? 4 C A "HO2'" 1
|
| 1112 |
+
ATOM 127 H "H1'" . C A 1 4 ? 17.658 9.131 8.880 1.00 0.00 ? 4 C A "H1'" 1
|
| 1113 |
+
ATOM 128 H H41 . C A 1 4 ? 22.255 4.815 8.374 1.00 0.00 ? 4 C A H41 1
|
| 1114 |
+
ATOM 129 H H42 . C A 1 4 ? 21.081 3.565 8.019 1.00 0.00 ? 4 C A H42 1
|
| 1115 |
+
ATOM 130 H H5 . C A 1 4 ? 18.721 4.042 7.693 1.00 0.00 ? 4 C A H5 1
|
| 1116 |
+
ATOM 131 H H6 . C A 1 4 ? 17.032 5.801 7.644 1.00 0.00 ? 4 C A H6 1
|
| 1117 |
+
ATOM 132 P P . A A 1 5 ? 15.896 9.063 3.646 1.00 0.00 ? 5 A A P 1
|
| 1118 |
+
ATOM 133 O OP1 . A A 1 5 ? 14.922 9.810 2.809 1.00 0.00 ? 5 A A OP1 1
|
| 1119 |
+
ATOM 134 O OP2 . A A 1 5 ? 16.269 7.674 3.274 1.00 0.00 ? 5 A A OP2 1
|
| 1120 |
+
ATOM 135 O "O5'" . A A 1 5 ? 17.236 9.920 3.744 1.00 0.00 ? 5 A A "O5'" 1
|
| 1121 |
+
ATOM 136 C "C5'" . A A 1 5 ? 17.202 11.296 4.119 1.00 0.00 ? 5 A A "C5'" 1
|
| 1122 |
+
ATOM 137 C "C4'" . A A 1 5 ? 18.585 11.767 4.511 1.00 0.00 ? 5 A A "C4'" 1
|
| 1123 |
+
ATOM 138 O "O4'" . A A 1 5 ? 19.151 10.842 5.474 1.00 0.00 ? 5 A A "O4'" 1
|
| 1124 |
+
ATOM 139 C "C3'" . A A 1 5 ? 19.611 11.797 3.389 1.00 0.00 ? 5 A A "C3'" 1
|
| 1125 |
+
ATOM 140 O "O3'" . A A 1 5 ? 19.499 12.991 2.619 1.00 0.00 ? 5 A A "O3'" 1
|
| 1126 |
+
ATOM 141 C "C2'" . A A 1 5 ? 20.934 11.707 4.146 1.00 0.00 ? 5 A A "C2'" 1
|
| 1127 |
+
ATOM 142 O "O2'" . A A 1 5 ? 21.323 12.964 4.667 1.00 0.00 ? 5 A A "O2'" 1
|
| 1128 |
+
ATOM 143 C "C1'" . A A 1 5 ? 20.558 10.800 5.319 1.00 0.00 ? 5 A A "C1'" 1
|
| 1129 |
+
ATOM 144 N N9 . A A 1 5 ? 20.961 9.406 5.133 1.00 0.00 ? 5 A A N9 1
|
| 1130 |
+
ATOM 145 C C8 . A A 1 5 ? 20.172 8.333 4.798 1.00 0.00 ? 5 A A C8 1
|
| 1131 |
+
ATOM 146 N N7 . A A 1 5 ? 20.826 7.199 4.725 1.00 0.00 ? 5 A A N7 1
|
| 1132 |
+
ATOM 147 C C5 . A A 1 5 ? 22.135 7.550 5.021 1.00 0.00 ? 5 A A C5 1
|
| 1133 |
+
ATOM 148 C C6 . A A 1 5 ? 23.321 6.799 5.105 1.00 0.00 ? 5 A A C6 1
|
| 1134 |
+
ATOM 149 N N6 . A A 1 5 ? 23.383 5.481 4.903 1.00 0.00 ? 5 A A N6 1
|
| 1135 |
+
ATOM 150 N N1 . A A 1 5 ? 24.460 7.458 5.414 1.00 0.00 ? 5 A A N1 1
|
| 1136 |
+
ATOM 151 C C2 . A A 1 5 ? 24.399 8.778 5.630 1.00 0.00 ? 5 A A C2 1
|
| 1137 |
+
ATOM 152 N N3 . A A 1 5 ? 23.346 9.590 5.586 1.00 0.00 ? 5 A A N3 1
|
| 1138 |
+
ATOM 153 C C4 . A A 1 5 ? 22.233 8.907 5.271 1.00 0.00 ? 5 A A C4 1
|
| 1139 |
+
ATOM 154 H "H5'" . A A 1 5 ? 16.525 11.432 4.963 1.00 0.00 ? 5 A A "H5'" 1
|
| 1140 |
+
ATOM 155 H "H5''" . A A 1 5 ? 16.849 11.897 3.282 1.00 0.00 ? 5 A A "H5''" 1
|
| 1141 |
+
ATOM 156 H "H4'" . A A 1 5 ? 18.494 12.786 4.886 1.00 0.00 ? 5 A A "H4'" 1
|
| 1142 |
+
ATOM 157 H "H3'" . A A 1 5 ? 19.470 10.971 2.693 1.00 0.00 ? 5 A A "H3'" 1
|
| 1143 |
+
ATOM 158 H "H2'" . A A 1 5 ? 21.704 11.255 3.519 1.00 0.00 ? 5 A A "H2'" 1
|
| 1144 |
+
ATOM 159 H "HO2'" . A A 1 5 ? 22.198 13.149 4.322 1.00 0.00 ? 5 A A "HO2'" 1
|
| 1145 |
+
ATOM 160 H "H1'" . A A 1 5 ? 20.990 11.149 6.257 1.00 0.00 ? 5 A A "H1'" 1
|
| 1146 |
+
ATOM 161 H H8 . A A 1 5 ? 19.114 8.418 4.602 1.00 0.00 ? 5 A A H8 1
|
| 1147 |
+
ATOM 162 H H61 . A A 1 5 ? 24.269 4.997 4.981 1.00 0.00 ? 5 A A H61 1
|
| 1148 |
+
ATOM 163 H H62 . A A 1 5 ? 22.542 4.970 4.675 1.00 0.00 ? 5 A A H62 1
|
| 1149 |
+
ATOM 164 H H2 . A A 1 5 ? 25.347 9.256 5.877 1.00 0.00 ? 5 A A H2 1
|
| 1150 |
+
ATOM 165 P P . G A 1 6 ? 20.257 13.105 1.205 1.00 0.00 ? 6 G A P 1
|
| 1151 |
+
ATOM 166 O OP1 . G A 1 6 ? 19.890 14.407 0.592 1.00 0.00 ? 6 G A OP1 1
|
| 1152 |
+
ATOM 167 O OP2 . G A 1 6 ? 20.007 11.846 0.457 1.00 0.00 ? 6 G A OP2 1
|
| 1153 |
+
ATOM 168 O "O5'" . G A 1 6 ? 21.801 13.153 1.595 1.00 0.00 ? 6 G A "O5'" 1
|
| 1154 |
+
ATOM 169 C "C5'" . G A 1 6 ? 22.351 14.278 2.277 1.00 0.00 ? 6 G A "C5'" 1
|
| 1155 |
+
ATOM 170 C "C4'" . G A 1 6 ? 23.795 14.017 2.635 1.00 0.00 ? 6 G A "C4'" 1
|
| 1156 |
+
ATOM 171 O "O4'" . G A 1 6 ? 23.899 12.742 3.316 1.00 0.00 ? 6 G A "O4'" 1
|
| 1157 |
+
ATOM 172 C "C3'" . G A 1 6 ? 24.746 13.877 1.456 1.00 0.00 ? 6 G A "C3'" 1
|
| 1158 |
+
ATOM 173 O "O3'" . G A 1 6 ? 25.171 15.149 0.978 1.00 0.00 ? 6 G A "O3'" 1
|
| 1159 |
+
ATOM 174 C "C2'" . G A 1 6 ? 25.895 13.066 2.047 1.00 0.00 ? 6 G A "C2'" 1
|
| 1160 |
+
ATOM 175 O "O2'" . G A 1 6 ? 26.784 13.891 2.773 1.00 0.00 ? 6 G A "O2'" 1
|
| 1161 |
+
ATOM 176 C "C1'" . G A 1 6 ? 25.159 12.158 3.035 1.00 0.00 ? 6 G A "C1'" 1
|
| 1162 |
+
ATOM 177 N N9 . G A 1 6 ? 24.942 10.808 2.526 1.00 0.00 ? 6 G A N9 1
|
| 1163 |
+
ATOM 178 C C8 . G A 1 6 ? 23.771 10.276 2.045 1.00 0.00 ? 6 G A C8 1
|
| 1164 |
+
ATOM 179 N N7 . G A 1 6 ? 23.885 9.031 1.672 1.00 0.00 ? 6 G A N7 1
|
| 1165 |
+
ATOM 180 C C5 . G A 1 6 ? 25.218 8.724 1.914 1.00 0.00 ? 6 G A C5 1
|
| 1166 |
+
ATOM 181 C C6 . G A 1 6 ? 25.938 7.518 1.705 1.00 0.00 ? 6 G A C6 1
|
| 1167 |
+
ATOM 182 O O6 . G A 1 6 ? 25.529 6.441 1.254 1.00 0.00 ? 6 G A O6 1
|
| 1168 |
+
ATOM 183 N N1 . G A 1 6 ? 27.270 7.646 2.085 1.00 0.00 ? 6 G A N1 1
|
| 1169 |
+
ATOM 184 C C2 . G A 1 6 ? 27.837 8.786 2.600 1.00 0.00 ? 6 G A C2 1
|
| 1170 |
+
ATOM 185 N N2 . G A 1 6 ? 29.136 8.716 2.903 1.00 0.00 ? 6 G A N2 1
|
| 1171 |
+
ATOM 186 N N3 . G A 1 6 ? 27.179 9.912 2.801 1.00 0.00 ? 6 G A N3 1
|
| 1172 |
+
ATOM 187 C C4 . G A 1 6 ? 25.883 9.811 2.438 1.00 0.00 ? 6 G A C4 1
|
| 1173 |
+
ATOM 188 H "H5'" . G A 1 6 ? 21.784 14.469 3.189 1.00 0.00 ? 6 G A "H5'" 1
|
| 1174 |
+
ATOM 189 H "H5''" . G A 1 6 ? 22.299 15.159 1.638 1.00 0.00 ? 6 G A "H5''" 1
|
| 1175 |
+
ATOM 190 H "H4'" . G A 1 6 ? 24.148 14.860 3.229 1.00 0.00 ? 6 G A "H4'" 1
|
| 1176 |
+
ATOM 191 H "H3'" . G A 1 6 ? 24.270 13.378 0.613 1.00 0.00 ? 6 G A "H3'" 1
|
| 1177 |
+
ATOM 192 H "H2'" . G A 1 6 ? 26.397 12.488 1.269 1.00 0.00 ? 6 G A "H2'" 1
|
| 1178 |
+
ATOM 193 H "HO2'" . G A 1 6 ? 26.601 14.793 2.509 1.00 0.00 ? 6 G A "HO2'" 1
|
| 1179 |
+
ATOM 194 H "H1'" . G A 1 6 ? 25.688 12.076 3.985 1.00 0.00 ? 6 G A "H1'" 1
|
| 1180 |
+
ATOM 195 H H8 . G A 1 6 ? 22.851 10.837 1.972 1.00 0.00 ? 6 G A H8 1
|
| 1181 |
+
ATOM 196 H H1 . G A 1 6 ? 27.861 6.836 1.971 1.00 0.00 ? 6 G A H1 1
|
| 1182 |
+
ATOM 197 H H21 . G A 1 6 ? 29.643 7.853 2.749 1.00 0.00 ? 6 G A H21 1
|
| 1183 |
+
ATOM 198 H H22 . G A 1 6 ? 29.608 9.523 3.284 1.00 0.00 ? 6 G A H22 1
|
| 1184 |
+
ATOM 199 P P . U A 1 7 ? 25.980 15.252 -0.408 1.00 0.00 ? 7 U A P 1
|
| 1185 |
+
ATOM 200 O OP1 . U A 1 7 ? 26.329 16.677 -0.635 1.00 0.00 ? 7 U A OP1 1
|
| 1186 |
+
ATOM 201 O OP2 . U A 1 7 ? 25.201 14.515 -1.435 1.00 0.00 ? 7 U A OP2 1
|
| 1187 |
+
ATOM 202 O "O5'" . U A 1 7 ? 27.324 14.440 -0.134 1.00 0.00 ? 7 U A "O5'" 1
|
| 1188 |
+
ATOM 203 C "C5'" . U A 1 7 ? 28.410 15.030 0.581 1.00 0.00 ? 7 U A "C5'" 1
|
| 1189 |
+
ATOM 204 C "C4'" . U A 1 7 ? 29.726 14.536 0.028 1.00 0.00 ? 7 U A "C4'" 1
|
| 1190 |
+
ATOM 205 O "O4'" . U A 1 7 ? 29.951 13.181 0.507 1.00 0.00 ? 7 U A "O4'" 1
|
| 1191 |
+
ATOM 206 C "C3'" . U A 1 7 ? 29.797 14.438 -1.491 1.00 0.00 ? 7 U A "C3'" 1
|
| 1192 |
+
ATOM 207 O "O3'" . U A 1 7 ? 30.246 15.660 -2.069 1.00 0.00 ? 7 U A "O3'" 1
|
| 1193 |
+
ATOM 208 C "C2'" . U A 1 7 ? 30.784 13.299 -1.713 1.00 0.00 ? 7 U A "C2'" 1
|
| 1194 |
+
ATOM 209 O "O2'" . U A 1 7 ? 32.119 13.744 -1.562 1.00 0.00 ? 7 U A "O2'" 1
|
| 1195 |
+
ATOM 210 C "C1'" . U A 1 7 ? 30.440 12.373 -0.547 1.00 0.00 ? 7 U A "C1'" 1
|
| 1196 |
+
ATOM 211 N N1 . U A 1 7 ? 29.421 11.363 -0.868 1.00 0.00 ? 7 U A N1 1
|
| 1197 |
+
ATOM 212 C C2 . U A 1 7 ? 29.855 10.132 -1.325 1.00 0.00 ? 7 U A C2 1
|
| 1198 |
+
ATOM 213 O O2 . U A 1 7 ? 31.033 9.858 -1.474 1.00 0.00 ? 7 U A O2 1
|
| 1199 |
+
ATOM 214 N N3 . U A 1 7 ? 28.858 9.232 -1.602 1.00 0.00 ? 7 U A N3 1
|
| 1200 |
+
ATOM 215 C C4 . U A 1 7 ? 27.501 9.429 -1.474 1.00 0.00 ? 7 U A C4 1
|
| 1201 |
+
ATOM 216 O O4 . U A 1 7 ? 26.727 8.514 -1.759 1.00 0.00 ? 7 U A O4 1
|
| 1202 |
+
ATOM 217 C C5 . U A 1 7 ? 27.132 10.726 -1.000 1.00 0.00 ? 7 U A C5 1
|
| 1203 |
+
ATOM 218 C C6 . U A 1 7 ? 28.077 11.630 -0.719 1.00 0.00 ? 7 U A C6 1
|
| 1204 |
+
ATOM 219 H "H5'" . U A 1 7 ? 28.343 14.766 1.636 1.00 0.00 ? 7 U A "H5'" 1
|
| 1205 |
+
ATOM 220 H "H5''" . U A 1 7 ? 28.372 16.115 0.484 1.00 0.00 ? 7 U A "H5''" 1
|
| 1206 |
+
ATOM 221 H "H4'" . U A 1 7 ? 30.499 15.241 0.335 1.00 0.00 ? 7 U A "H4'" 1
|
| 1207 |
+
ATOM 222 H "H3'" . U A 1 7 ? 28.819 14.236 -1.928 1.00 0.00 ? 7 U A "H3'" 1
|
| 1208 |
+
ATOM 223 H "H2'" . U A 1 7 ? 30.606 12.816 -2.676 1.00 0.00 ? 7 U A "H2'" 1
|
| 1209 |
+
ATOM 224 H "HO2'" . U A 1 7 ? 32.097 14.700 -1.615 1.00 0.00 ? 7 U A "HO2'" 1
|
| 1210 |
+
ATOM 225 H "H1'" . U A 1 7 ? 31.320 11.853 -0.165 1.00 0.00 ? 7 U A "H1'" 1
|
| 1211 |
+
ATOM 226 H H3 . U A 1 7 ? 29.150 8.322 -1.929 1.00 0.00 ? 7 U A H3 1
|
| 1212 |
+
ATOM 227 H H5 . U A 1 7 ? 26.080 10.978 -0.866 1.00 0.00 ? 7 U A H5 1
|
| 1213 |
+
ATOM 228 H H6 . U A 1 7 ? 27.774 12.613 -0.360 1.00 0.00 ? 7 U A H6 1
|
| 1214 |
+
ATOM 229 P P . G A 1 8 ? 29.567 16.202 -3.424 1.00 0.00 ? 8 G A P 1
|
| 1215 |
+
ATOM 230 O OP1 . G A 1 8 ? 30.159 17.527 -3.741 1.00 0.00 ? 8 G A OP1 1
|
| 1216 |
+
ATOM 231 O OP2 . G A 1 8 ? 28.096 16.074 -3.270 1.00 0.00 ? 8 G A OP2 1
|
| 1217 |
+
ATOM 232 O "O5'" . G A 1 8 ? 30.039 15.163 -4.536 1.00 0.00 ? 8 G A "O5'" 1
|
| 1218 |
+
ATOM 233 C "C5'" . G A 1 8 ? 31.422 14.880 -4.741 1.00 0.00 ? 8 G A "C5'" 1
|
| 1219 |
+
ATOM 234 C "C4'" . G A 1 8 ? 31.589 13.515 -5.366 1.00 0.00 ? 8 G A "C4'" 1
|
| 1220 |
+
ATOM 235 O "O4'" . G A 1 8 ? 31.042 12.519 -4.461 1.00 0.00 ? 8 G A "O4'" 1
|
| 1221 |
+
ATOM 236 C "C3'" . G A 1 8 ? 30.849 13.304 -6.681 1.00 0.00 ? 8 G A "C3'" 1
|
| 1222 |
+
ATOM 237 O "O3'" . G A 1 8 ? 31.642 13.710 -7.795 1.00 0.00 ? 8 G A "O3'" 1
|
| 1223 |
+
ATOM 238 C "C2'" . G A 1 8 ? 30.581 11.802 -6.683 1.00 0.00 ? 8 G A "C2'" 1
|
| 1224 |
+
ATOM 239 O "O2'" . G A 1 8 ? 31.723 11.079 -7.098 1.00 0.00 ? 8 G A "O2'" 1
|
| 1225 |
+
ATOM 240 C "C1'" . G A 1 8 ? 30.346 11.530 -5.197 1.00 0.00 ? 8 G A "C1'" 1
|
| 1226 |
+
ATOM 241 N N9 . G A 1 8 ? 28.939 11.574 -4.809 1.00 0.00 ? 8 G A N9 1
|
| 1227 |
+
ATOM 242 C C8 . G A 1 8 ? 28.255 12.646 -4.292 1.00 0.00 ? 8 G A C8 1
|
| 1228 |
+
ATOM 243 N N7 . G A 1 8 ? 27.002 12.385 -4.040 1.00 0.00 ? 8 G A N7 1
|
| 1229 |
+
ATOM 244 C C5 . G A 1 8 ? 26.848 11.056 -4.413 1.00 0.00 ? 8 G A C5 1
|
| 1230 |
+
ATOM 245 C C6 . G A 1 8 ? 25.706 10.215 -4.371 1.00 0.00 ? 8 G A C6 1
|
| 1231 |
+
ATOM 246 O O6 . G A 1 8 ? 24.563 10.484 -3.985 1.00 0.00 ? 8 G A O6 1
|
| 1232 |
+
ATOM 247 N N1 . G A 1 8 ? 25.994 8.938 -4.841 1.00 0.00 ? 8 G A N1 1
|
| 1233 |
+
ATOM 248 C C2 . G A 1 8 ? 27.220 8.523 -5.295 1.00 0.00 ? 8 G A C2 1
|
| 1234 |
+
ATOM 249 N N2 . G A 1 8 ? 27.300 7.252 -5.704 1.00 0.00 ? 8 G A N2 1
|
| 1235 |
+
ATOM 250 N N3 . G A 1 8 ? 28.291 9.296 -5.343 1.00 0.00 ? 8 G A N3 1
|
| 1236 |
+
ATOM 251 C C4 . G A 1 8 ? 28.036 10.541 -4.889 1.00 0.00 ? 8 G A C4 1
|
| 1237 |
+
ATOM 252 H "H5'" . G A 1 8 ? 31.949 14.904 -3.786 1.00 0.00 ? 8 G A "H5'" 1
|
| 1238 |
+
ATOM 253 H "H5''" . G A 1 8 ? 31.857 15.628 -5.403 1.00 0.00 ? 8 G A "H5''" 1
|
| 1239 |
+
ATOM 254 H "H4'" . G A 1 8 ? 32.650 13.376 -5.577 1.00 0.00 ? 8 G A "H4'" 1
|
| 1240 |
+
ATOM 255 H "H3'" . G A 1 8 ? 29.934 13.893 -6.728 1.00 0.00 ? 8 G A "H3'" 1
|
| 1241 |
+
ATOM 256 H "H2'" . G A 1 8 ? 29.696 11.570 -7.279 1.00 0.00 ? 8 G A "H2'" 1
|
| 1242 |
+
ATOM 257 H "HO2'" . G A 1 8 ? 32.151 11.611 -7.772 1.00 0.00 ? 8 G A "HO2'" 1
|
| 1243 |
+
ATOM 258 H "H1'" . G A 1 8 ? 30.748 10.563 -4.889 1.00 0.00 ? 8 G A "H1'" 1
|
| 1244 |
+
ATOM 259 H H8 . G A 1 8 ? 28.708 13.609 -4.111 1.00 0.00 ? 8 G A H8 1
|
| 1245 |
+
ATOM 260 H H1 . G A 1 8 ? 25.239 8.268 -4.847 1.00 0.00 ? 8 G A H1 1
|
| 1246 |
+
ATOM 261 H H21 . G A 1 8 ? 26.493 6.647 -5.669 1.00 0.00 ? 8 G A H21 1
|
| 1247 |
+
ATOM 262 H H22 . G A 1 8 ? 28.179 6.893 -6.047 1.00 0.00 ? 8 G A H22 1
|
| 1248 |
+
ATOM 263 P P . U A 1 9 ? 31.107 14.861 -8.784 1.00 0.00 ? 9 U A P 1
|
| 1249 |
+
ATOM 264 O OP1 . U A 1 9 ? 32.124 15.064 -9.848 1.00 0.00 ? 9 U A OP1 1
|
| 1250 |
+
ATOM 265 O OP2 . U A 1 9 ? 30.692 16.010 -7.940 1.00 0.00 ? 9 U A OP2 1
|
| 1251 |
+
ATOM 266 O "O5'" . U A 1 9 ? 29.796 14.234 -9.439 1.00 0.00 ? 9 U A "O5'" 1
|
| 1252 |
+
ATOM 267 C "C5'" . U A 1 9 ? 29.778 13.819 -10.805 1.00 0.00 ? 9 U A "C5'" 1
|
| 1253 |
+
ATOM 268 C "C4'" . U A 1 9 ? 30.499 12.498 -10.961 1.00 0.00 ? 9 U A "C4'" 1
|
| 1254 |
+
ATOM 269 O "O4'" . U A 1 9 ? 30.421 11.776 -9.700 1.00 0.00 ? 9 U A "O4'" 1
|
| 1255 |
+
ATOM 270 C "C3'" . U A 1 9 ? 29.909 11.558 -12.007 1.00 0.00 ? 9 U A "C3'" 1
|
| 1256 |
+
ATOM 271 O "O3'" . U A 1 9 ? 30.529 11.734 -13.277 1.00 0.00 ? 9 U A "O3'" 1
|
| 1257 |
+
ATOM 272 C "C2'" . U A 1 9 ? 30.196 10.178 -11.429 1.00 0.00 ? 9 U A "C2'" 1
|
| 1258 |
+
ATOM 273 O "O2'" . U A 1 9 ? 31.535 9.790 -11.673 1.00 0.00 ? 9 U A "O2'" 1
|
| 1259 |
+
ATOM 274 C "C1'" . U A 1 9 ? 30.028 10.439 -9.934 1.00 0.00 ? 9 U A "C1'" 1
|
| 1260 |
+
ATOM 275 N N1 . U A 1 9 ? 28.652 10.265 -9.443 1.00 0.00 ? 9 U A N1 1
|
| 1261 |
+
ATOM 276 C C2 . U A 1 9 ? 28.153 8.977 -9.374 1.00 0.00 ? 9 U A C2 1
|
| 1262 |
+
ATOM 277 O O2 . U A 1 9 ? 28.796 8.000 -9.710 1.00 0.00 ? 9 U A O2 1
|
| 1263 |
+
ATOM 278 N N3 . U A 1 9 ? 26.870 8.877 -8.898 1.00 0.00 ? 9 U A N3 1
|
| 1264 |
+
ATOM 279 C C4 . U A 1 9 ? 26.054 9.908 -8.493 1.00 0.00 ? 9 U A C4 1
|
| 1265 |
+
ATOM 280 O O4 . U A 1 9 ? 24.927 9.656 -8.067 1.00 0.00 ? 9 U A O4 1
|
| 1266 |
+
ATOM 281 C C5 . U A 1 9 ? 26.639 11.207 -8.601 1.00 0.00 ? 9 U A C5 1
|
| 1267 |
+
ATOM 282 C C6 . U A 1 9 ? 27.886 11.343 -9.061 1.00 0.00 ? 9 U A C6 1
|
| 1268 |
+
ATOM 283 H "H5'" . U A 1 9 ? 30.267 14.570 -11.426 1.00 0.00 ? 9 U A "H5'" 1
|
| 1269 |
+
ATOM 284 H "H5''" . U A 1 9 ? 28.748 13.700 -11.140 1.00 0.00 ? 9 U A "H5''" 1
|
| 1270 |
+
ATOM 285 H "H4'" . U A 1 9 ? 31.520 12.717 -11.276 1.00 0.00 ? 9 U A "H4'" 1
|
| 1271 |
+
ATOM 286 H "H3'" . U A 1 9 ? 28.845 11.737 -12.159 1.00 0.00 ? 9 U A "H3'" 1
|
| 1272 |
+
ATOM 287 H "H2'" . U A 1 9 ? 29.472 9.449 -11.795 1.00 0.00 ? 9 U A "H2'" 1
|
| 1273 |
+
ATOM 288 H "HO2'" . U A 1 9 ? 31.881 10.398 -12.327 1.00 0.00 ? 9 U A "HO2'" 1
|
| 1274 |
+
ATOM 289 H "H1'" . U A 1 9 ? 30.682 9.807 -9.333 1.00 0.00 ? 9 U A "H1'" 1
|
| 1275 |
+
ATOM 290 H H3 . U A 1 9 ? 26.478 7.948 -8.839 1.00 0.00 ? 9 U A H3 1
|
| 1276 |
+
ATOM 291 H H5 . U A 1 9 ? 26.067 12.087 -8.306 1.00 0.00 ? 9 U A H5 1
|
| 1277 |
+
ATOM 292 H H6 . U A 1 9 ? 28.312 12.344 -9.136 1.00 0.00 ? 9 U A H6 1
|
| 1278 |
+
ATOM 293 P P . A A 1 10 ? 29.709 12.416 -14.481 1.00 0.00 ? 10 A A P 1
|
| 1279 |
+
ATOM 294 O OP1 . A A 1 10 ? 30.579 12.421 -15.685 1.00 0.00 ? 10 A A OP1 1
|
| 1280 |
+
ATOM 295 O OP2 . A A 1 10 ? 29.152 13.696 -13.974 1.00 0.00 ? 10 A A OP2 1
|
| 1281 |
+
ATOM 296 O "O5'" . A A 1 10 ? 28.495 11.420 -14.749 1.00 0.00 ? 10 A A "O5'" 1
|
| 1282 |
+
ATOM 297 C "C5'" . A A 1 10 ? 27.426 11.788 -15.622 1.00 0.00 ? 10 A A "C5'" 1
|
| 1283 |
+
ATOM 298 C "C4'" . A A 1 10 ? 26.708 10.555 -16.120 1.00 0.00 ? 10 A A "C4'" 1
|
| 1284 |
+
ATOM 299 O "O4'" . A A 1 10 ? 27.560 9.879 -17.085 1.00 0.00 ? 10 A A "O4'" 1
|
| 1285 |
+
ATOM 300 C "C3'" . A A 1 10 ? 26.397 9.509 -15.057 1.00 0.00 ? 10 A A "C3'" 1
|
| 1286 |
+
ATOM 301 O "O3'" . A A 1 10 ? 25.122 9.736 -14.459 1.00 0.00 ? 10 A A "O3'" 1
|
| 1287 |
+
ATOM 302 C "C2'" . A A 1 10 ? 26.433 8.203 -15.842 1.00 0.00 ? 10 A A "C2'" 1
|
| 1288 |
+
ATOM 303 O "O2'" . A A 1 10 ? 25.227 8.003 -16.555 1.00 0.00 ? 10 A A "O2'" 1
|
| 1289 |
+
ATOM 304 C "C1'" . A A 1 10 ? 27.553 8.486 -16.841 1.00 0.00 ? 10 A A "C1'" 1
|
| 1290 |
+
ATOM 305 N N9 . A A 1 10 ? 28.882 8.096 -16.371 1.00 0.00 ? 10 A A N9 1
|
| 1291 |
+
ATOM 306 C C8 . A A 1 10 ? 29.959 8.910 -16.120 1.00 0.00 ? 10 A A C8 1
|
| 1292 |
+
ATOM 307 N N7 . A A 1 10 ? 31.026 8.264 -15.715 1.00 0.00 ? 10 A A N7 1
|
| 1293 |
+
ATOM 308 C C5 . A A 1 10 ? 30.623 6.936 -15.696 1.00 0.00 ? 10 A A C5 1
|
| 1294 |
+
ATOM 309 C C6 . A A 1 10 ? 31.295 5.749 -15.358 1.00 0.00 ? 10 A A C6 1
|
| 1295 |
+
ATOM 310 N N6 . A A 1 10 ? 32.568 5.705 -14.963 1.00 0.00 ? 10 A A N6 1
|
| 1296 |
+
ATOM 311 N N1 . A A 1 10 ? 30.606 4.591 -15.443 1.00 0.00 ? 10 A A N1 1
|
| 1297 |
+
ATOM 312 C C2 . A A 1 10 ? 29.329 4.633 -15.845 1.00 0.00 ? 10 A A C2 1
|
| 1298 |
+
ATOM 313 N N3 . A A 1 10 ? 28.591 5.684 -16.192 1.00 0.00 ? 10 A A N3 1
|
| 1299 |
+
ATOM 314 C C4 . A A 1 10 ? 29.304 6.818 -16.095 1.00 0.00 ? 10 A A C4 1
|
| 1300 |
+
ATOM 315 H "H5'" . A A 1 10 ? 27.822 12.341 -16.475 1.00 0.00 ? 10 A A "H5'" 1
|
| 1301 |
+
ATOM 316 H "H5''" . A A 1 10 ? 26.716 12.419 -15.089 1.00 0.00 ? 10 A A "H5''" 1
|
| 1302 |
+
ATOM 317 H "H4'" . A A 1 10 ? 25.751 10.877 -16.534 1.00 0.00 ? 10 A A "H4'" 1
|
| 1303 |
+
ATOM 318 H "H3'" . A A 1 10 ? 27.123 9.530 -14.247 1.00 0.00 ? 10 A A "H3'" 1
|
| 1304 |
+
ATOM 319 H "H2'" . A A 1 10 ? 26.679 7.365 -15.186 1.00 0.00 ? 10 A A "H2'" 1
|
| 1305 |
+
ATOM 320 H "HO2'" . A A 1 10 ? 24.545 8.479 -16.077 1.00 0.00 ? 10 A A "HO2'" 1
|
| 1306 |
+
ATOM 321 H "H1'" . A A 1 10 ? 27.378 7.997 -17.800 1.00 0.00 ? 10 A A "H1'" 1
|
| 1307 |
+
ATOM 322 H H8 . A A 1 10 ? 29.929 9.982 -16.242 1.00 0.00 ? 10 A A H8 1
|
| 1308 |
+
ATOM 323 H H61 . A A 1 10 ? 32.990 4.817 -14.735 1.00 0.00 ? 10 A A H61 1
|
| 1309 |
+
ATOM 324 H H62 . A A 1 10 ? 33.102 6.560 -14.895 1.00 0.00 ? 10 A A H62 1
|
| 1310 |
+
ATOM 325 H H2 . A A 1 10 ? 28.822 3.669 -15.893 1.00 0.00 ? 10 A A H2 1
|
| 1311 |
+
ATOM 326 P P . A A 1 11 ? 25.024 10.194 -12.918 1.00 0.00 ? 11 A A P 1
|
| 1312 |
+
ATOM 327 O OP1 . A A 1 11 ? 24.238 11.453 -12.867 1.00 0.00 ? 11 A A OP1 1
|
| 1313 |
+
ATOM 328 O OP2 . A A 1 11 ? 26.384 10.157 -12.321 1.00 0.00 ? 11 A A OP2 1
|
| 1314 |
+
ATOM 329 O "O5'" . A A 1 11 ? 24.159 9.048 -12.226 1.00 0.00 ? 11 A A "O5'" 1
|
| 1315 |
+
ATOM 330 C "C5'" . A A 1 11 ? 23.652 7.943 -12.976 1.00 0.00 ? 11 A A "C5'" 1
|
| 1316 |
+
ATOM 331 C "C4'" . A A 1 11 ? 24.401 6.681 -12.611 1.00 0.00 ? 11 A A "C4'" 1
|
| 1317 |
+
ATOM 332 O "O4'" . A A 1 11 ? 25.683 6.654 -13.268 1.00 0.00 ? 11 A A "O4'" 1
|
| 1318 |
+
ATOM 333 C "C3'" . A A 1 11 ? 24.782 6.538 -11.151 1.00 0.00 ? 11 A A "C3'" 1
|
| 1319 |
+
ATOM 334 O "O3'" . A A 1 11 ? 23.666 6.116 -10.369 1.00 0.00 ? 11 A A "O3'" 1
|
| 1320 |
+
ATOM 335 C "C2'" . A A 1 11 ? 25.895 5.489 -11.208 1.00 0.00 ? 11 A A "C2'" 1
|
| 1321 |
+
ATOM 336 O "O2'" . A A 1 11 ? 25.357 4.181 -11.170 1.00 0.00 ? 11 A A "O2'" 1
|
| 1322 |
+
ATOM 337 C "C1'" . A A 1 11 ? 26.495 5.715 -12.601 1.00 0.00 ? 11 A A "C1'" 1
|
| 1323 |
+
ATOM 338 N N9 . A A 1 11 ? 27.868 6.214 -12.568 1.00 0.00 ? 11 A A N9 1
|
| 1324 |
+
ATOM 339 C C8 . A A 1 11 ? 28.318 7.504 -12.677 1.00 0.00 ? 11 A A C8 1
|
| 1325 |
+
ATOM 340 N N7 . A A 1 11 ? 29.621 7.618 -12.590 1.00 0.00 ? 11 A A N7 1
|
| 1326 |
+
ATOM 341 C C5 . A A 1 11 ? 30.058 6.312 -12.413 1.00 0.00 ? 11 A A C5 1
|
| 1327 |
+
ATOM 342 C C6 . A A 1 11 ? 31.337 5.754 -12.251 1.00 0.00 ? 11 A A C6 1
|
| 1328 |
+
ATOM 343 N N6 . A A 1 11 ? 32.461 6.470 -12.233 1.00 0.00 ? 11 A A N6 1
|
| 1329 |
+
ATOM 344 N N1 . A A 1 11 ? 31.422 4.414 -12.103 1.00 0.00 ? 11 A A N1 1
|
| 1330 |
+
ATOM 345 C C2 . A A 1 11 ? 30.292 3.694 -12.114 1.00 0.00 ? 11 A A C2 1
|
| 1331 |
+
ATOM 346 N N3 . A A 1 11 ? 29.037 4.104 -12.257 1.00 0.00 ? 11 A A N3 1
|
| 1332 |
+
ATOM 347 C C4 . A A 1 11 ? 28.988 5.438 -12.403 1.00 0.00 ? 11 A A C4 1
|
| 1333 |
+
ATOM 348 H "H5'" . A A 1 11 ? 23.771 8.134 -14.043 1.00 0.00 ? 11 A A "H5'" 1
|
| 1334 |
+
ATOM 349 H "H5''" . A A 1 11 ? 22.594 7.802 -12.758 1.00 0.00 ? 11 A A "H5''" 1
|
| 1335 |
+
ATOM 350 H "H4'" . A A 1 11 ? 23.771 5.825 -12.851 1.00 0.00 ? 11 A A "H4'" 1
|
| 1336 |
+
ATOM 351 H "H3'" . A A 1 11 ? 25.116 7.483 -10.725 1.00 0.00 ? 11 A A "H3'" 1
|
| 1337 |
+
ATOM 352 H "H2'" . A A 1 11 ? 26.628 5.666 -10.420 1.00 0.00 ? 11 A A "H2'" 1
|
| 1338 |
+
ATOM 353 H "HO2'" . A A 1 11 ? 24.514 4.244 -10.718 1.00 0.00 ? 11 A A "HO2'" 1
|
| 1339 |
+
ATOM 354 H "H1'" . A A 1 11 ? 26.484 4.804 -13.201 1.00 0.00 ? 11 A A "H1'" 1
|
| 1340 |
+
ATOM 355 H H8 . A A 1 11 ? 27.661 8.348 -12.821 1.00 0.00 ? 11 A A H8 1
|
| 1341 |
+
ATOM 356 H H61 . A A 1 11 ? 33.348 6.004 -12.111 1.00 0.00 ? 11 A A H61 1
|
| 1342 |
+
ATOM 357 H H62 . A A 1 11 ? 32.422 7.474 -12.340 1.00 0.00 ? 11 A A H62 1
|
| 1343 |
+
ATOM 358 H H2 . A A 1 11 ? 30.419 2.620 -11.982 1.00 0.00 ? 11 A A H2 1
|
| 1344 |
+
ATOM 359 P P . C A 1 12 ? 23.105 7.062 -9.193 1.00 0.00 ? 12 C A P 1
|
| 1345 |
+
ATOM 360 O OP1 . C A 1 12 ? 21.897 6.398 -8.639 1.00 0.00 ? 12 C A OP1 1
|
| 1346 |
+
ATOM 361 O OP2 . C A 1 12 ? 23.003 8.449 -9.711 1.00 0.00 ? 12 C A OP2 1
|
| 1347 |
+
ATOM 362 O "O5'" . C A 1 12 ? 24.245 7.025 -8.080 1.00 0.00 ? 12 C A "O5'" 1
|
| 1348 |
+
ATOM 363 C "C5'" . C A 1 12 ? 24.331 5.946 -7.152 1.00 0.00 ? 12 C A "C5'" 1
|
| 1349 |
+
ATOM 364 C "C4'" . C A 1 12 ? 24.872 4.715 -7.837 1.00 0.00 ? 12 C A "C4'" 1
|
| 1350 |
+
ATOM 365 O "O4'" . C A 1 12 ? 26.007 5.075 -8.647 1.00 0.00 ? 12 C A "O4'" 1
|
| 1351 |
+
ATOM 366 C "C3'" . C A 1 12 ? 25.449 3.644 -6.929 1.00 0.00 ? 12 C A "C3'" 1
|
| 1352 |
+
ATOM 367 O "O3'" . C A 1 12 ? 24.421 2.835 -6.367 1.00 0.00 ? 12 C A "O3'" 1
|
| 1353 |
+
ATOM 368 C "C2'" . C A 1 12 ? 26.373 2.856 -7.863 1.00 0.00 ? 12 C A "C2'" 1
|
| 1354 |
+
ATOM 369 O "O2'" . C A 1 12 ? 25.668 1.824 -8.525 1.00 0.00 ? 12 C A "O2'" 1
|
| 1355 |
+
ATOM 370 C "C1'" . C A 1 12 ? 26.765 3.913 -8.905 1.00 0.00 ? 12 C A "C1'" 1
|
| 1356 |
+
ATOM 371 N N1 . C A 1 12 ? 28.192 4.272 -8.875 1.00 0.00 ? 12 C A N1 1
|
| 1357 |
+
ATOM 372 C C2 . C A 1 12 ? 29.129 3.353 -9.354 1.00 0.00 ? 12 C A C2 1
|
| 1358 |
+
ATOM 373 O O2 . C A 1 12 ? 28.733 2.259 -9.780 1.00 0.00 ? 12 C A O2 1
|
| 1359 |
+
ATOM 374 N N3 . C A 1 12 ? 30.441 3.680 -9.341 1.00 0.00 ? 12 C A N3 1
|
| 1360 |
+
ATOM 375 C C4 . C A 1 12 ? 30.828 4.868 -8.875 1.00 0.00 ? 12 C A C4 1
|
| 1361 |
+
ATOM 376 N N4 . C A 1 12 ? 32.131 5.152 -8.893 1.00 0.00 ? 12 C A N4 1
|
| 1362 |
+
ATOM 377 C C5 . C A 1 12 ? 29.896 5.820 -8.372 1.00 0.00 ? 12 C A C5 1
|
| 1363 |
+
ATOM 378 C C6 . C A 1 12 ? 28.600 5.483 -8.390 1.00 0.00 ? 12 C A C6 1
|
| 1364 |
+
ATOM 379 H "H5'" . C A 1 12 ? 23.341 5.727 -6.748 1.00 0.00 ? 12 C A "H5'" 1
|
| 1365 |
+
ATOM 380 H "H5''" . C A 1 12 ? 24.995 6.216 -6.332 1.00 0.00 ? 12 C A "H5''" 1
|
| 1366 |
+
ATOM 381 H "H4'" . C A 1 12 ? 24.059 4.257 -8.401 1.00 0.00 ? 12 C A "H4'" 1
|
| 1367 |
+
ATOM 382 H "H3'" . C A 1 12 ? 25.982 4.083 -6.087 1.00 0.00 ? 12 C A "H3'" 1
|
| 1368 |
+
ATOM 383 H "H2'" . C A 1 12 ? 27.247 2.485 -7.316 1.00 0.00 ? 12 C A "H2'" 1
|
| 1369 |
+
ATOM 384 H "HO2'" . C A 1 12 ? 26.303 1.133 -8.722 1.00 0.00 ? 12 C A "HO2'" 1
|
| 1370 |
+
ATOM 385 H "H1'" . C A 1 12 ? 26.518 3.600 -9.926 1.00 0.00 ? 12 C A "H1'" 1
|
| 1371 |
+
ATOM 386 H H41 . C A 1 12 ? 32.789 4.473 -9.252 1.00 0.00 ? 12 C A H41 1
|
| 1372 |
+
ATOM 387 H H42 . C A 1 12 ? 32.456 6.044 -8.549 1.00 0.00 ? 12 C A H42 1
|
| 1373 |
+
ATOM 388 H H5 . C A 1 12 ? 30.224 6.786 -7.988 1.00 0.00 ? 12 C A H5 1
|
| 1374 |
+
ATOM 389 H H6 . C A 1 12 ? 27.859 6.186 -8.008 1.00 0.00 ? 12 C A H6 1
|
| 1375 |
+
ATOM 390 P P . A A 1 13 ? 24.639 2.152 -4.929 1.00 0.00 ? 13 A A P 1
|
| 1376 |
+
ATOM 391 O OP1 . A A 1 13 ? 23.590 1.113 -4.766 1.00 0.00 ? 13 A A OP1 1
|
| 1377 |
+
ATOM 392 O OP2 . A A 1 13 ? 24.765 3.231 -3.916 1.00 0.00 ? 13 A A OP2 1
|
| 1378 |
+
ATOM 393 O "O5'" . A A 1 13 ? 26.050 1.423 -5.055 1.00 0.00 ? 13 A A "O5'" 1
|
| 1379 |
+
ATOM 394 C "C5'" . A A 1 13 ? 26.247 0.345 -5.969 1.00 0.00 ? 13 A A "C5'" 1
|
| 1380 |
+
ATOM 395 C "C4'" . A A 1 13 ? 27.723 0.061 -6.121 1.00 0.00 ? 13 A A "C4'" 1
|
| 1381 |
+
ATOM 396 O "O4'" . A A 1 13 ? 28.323 1.127 -6.908 1.00 0.00 ? 13 A A "O4'" 1
|
| 1382 |
+
ATOM 397 C "C3'" . A A 1 13 ? 28.504 0.034 -4.814 1.00 0.00 ? 13 A A "C3'" 1
|
| 1383 |
+
ATOM 398 O "O3'" . A A 1 13 ? 28.535 -1.277 -4.258 1.00 0.00 ? 13 A A "O3'" 1
|
| 1384 |
+
ATOM 399 C "C2'" . A A 1 13 ? 29.888 0.519 -5.231 1.00 0.00 ? 13 A A "C2'" 1
|
| 1385 |
+
ATOM 400 O "O2'" . A A 1 13 ? 30.644 -0.525 -5.814 1.00 0.00 ? 13 A A "O2'" 1
|
| 1386 |
+
ATOM 401 C "C1'" . A A 1 13 ? 29.538 1.538 -6.311 1.00 0.00 ? 13 A A "C1'" 1
|
| 1387 |
+
ATOM 402 N N9 . A A 1 13 ? 29.369 2.896 -5.797 1.00 0.00 ? 13 A A N9 1
|
| 1388 |
+
ATOM 403 C C8 . A A 1 13 ? 28.248 3.476 -5.261 1.00 0.00 ? 13 A A C8 1
|
| 1389 |
+
ATOM 404 N N7 . A A 1 13 ? 28.418 4.728 -4.908 1.00 0.00 ? 13 A A N7 1
|
| 1390 |
+
ATOM 405 C C5 . A A 1 13 ? 29.745 4.984 -5.226 1.00 0.00 ? 13 A A C5 1
|
| 1391 |
+
ATOM 406 C C6 . A A 1 13 ? 30.547 6.130 -5.096 1.00 0.00 ? 13 A A C6 1
|
| 1392 |
+
ATOM 407 N N6 . A A 1 13 ? 30.113 7.288 -4.595 1.00 0.00 ? 13 A A N6 1
|
| 1393 |
+
ATOM 408 N N1 . A A 1 13 ? 31.831 6.046 -5.507 1.00 0.00 ? 13 A A N1 1
|
| 1394 |
+
ATOM 409 C C2 . A A 1 13 ? 32.267 4.884 -6.014 1.00 0.00 ? 13 A A C2 1
|
| 1395 |
+
ATOM 410 N N3 . A A 1 13 ? 31.610 3.745 -6.188 1.00 0.00 ? 13 A A N3 1
|
| 1396 |
+
ATOM 411 C C4 . A A 1 13 ? 30.341 3.862 -5.769 1.00 0.00 ? 13 A A C4 1
|
| 1397 |
+
ATOM 412 H "H5'" . A A 1 13 ? 25.829 0.604 -6.943 1.00 0.00 ? 13 A A "H5'" 1
|
| 1398 |
+
ATOM 413 H "H5''" . A A 1 13 ? 25.751 -0.551 -5.597 1.00 0.00 ? 13 A A "H5''" 1
|
| 1399 |
+
ATOM 414 H "H4'" . A A 1 13 ? 27.825 -0.928 -6.572 1.00 0.00 ? 13 A A "H4'" 1
|
| 1400 |
+
ATOM 415 H "H3'" . A A 1 13 ? 28.047 0.673 -4.060 1.00 0.00 ? 13 A A "H3'" 1
|
| 1401 |
+
ATOM 416 H "H2'" . A A 1 13 ? 30.396 0.991 -4.392 1.00 0.00 ? 13 A A "H2'" 1
|
| 1402 |
+
ATOM 417 H "HO2'" . A A 1 13 ? 30.165 -1.338 -5.651 1.00 0.00 ? 13 A A "HO2'" 1
|
| 1403 |
+
ATOM 418 H "H1'" . A A 1 13 ? 30.291 1.572 -7.102 1.00 0.00 ? 13 A A "H1'" 1
|
| 1404 |
+
ATOM 419 H H8 . A A 1 13 ? 27.315 2.948 -5.133 1.00 0.00 ? 13 A A H8 1
|
| 1405 |
+
ATOM 420 H H61 . A A 1 13 ? 30.741 8.077 -4.540 1.00 0.00 ? 13 A A H61 1
|
| 1406 |
+
ATOM 421 H H62 . A A 1 13 ? 29.158 7.381 -4.281 1.00 0.00 ? 13 A A H62 1
|
| 1407 |
+
ATOM 422 H H2 . A A 1 13 ? 33.308 4.871 -6.330 1.00 0.00 ? 13 A A H2 1
|
| 1408 |
+
ATOM 423 P P . A A 1 14 ? 28.438 -1.472 -2.664 1.00 0.00 ? 14 A A P 1
|
| 1409 |
+
ATOM 424 O OP1 . A A 1 14 ? 28.503 -2.930 -2.394 1.00 0.00 ? 14 A A OP1 1
|
| 1410 |
+
ATOM 425 O OP2 . A A 1 14 ? 27.281 -0.685 -2.164 1.00 0.00 ? 14 A A OP2 1
|
| 1411 |
+
ATOM 426 O "O5'" . A A 1 14 ? 29.774 -0.804 -2.112 1.00 0.00 ? 14 A A "O5'" 1
|
| 1412 |
+
ATOM 427 C "C5'" . A A 1 14 ? 31.050 -1.177 -2.630 1.00 0.00 ? 14 A A "C5'" 1
|
| 1413 |
+
ATOM 428 C "C4'" . A A 1 14 ? 32.085 -0.145 -2.254 1.00 0.00 ? 14 A A "C4'" 1
|
| 1414 |
+
ATOM 429 O "O4'" . A A 1 14 ? 31.890 1.039 -3.078 1.00 0.00 ? 14 A A "O4'" 1
|
| 1415 |
+
ATOM 430 C "C3'" . A A 1 14 ? 31.998 0.360 -0.821 1.00 0.00 ? 14 A A "C3'" 1
|
| 1416 |
+
ATOM 431 O "O3'" . A A 1 14 ? 32.738 -0.463 0.073 1.00 0.00 ? 14 A A "O3'" 1
|
| 1417 |
+
ATOM 432 C "C2'" . A A 1 14 ? 32.575 1.766 -0.929 1.00 0.00 ? 14 A A "C2'" 1
|
| 1418 |
+
ATOM 433 O "O2'" . A A 1 14 ? 33.987 1.734 -0.996 1.00 0.00 ? 14 A A "O2'" 1
|
| 1419 |
+
ATOM 434 C "C1'" . A A 1 14 ? 32.027 2.204 -2.285 1.00 0.00 ? 14 A A "C1'" 1
|
| 1420 |
+
ATOM 435 N N9 . A A 1 14 ? 30.725 2.865 -2.205 1.00 0.00 ? 14 A A N9 1
|
| 1421 |
+
ATOM 436 C C8 . A A 1 14 ? 29.483 2.280 -2.208 1.00 0.00 ? 14 A A C8 1
|
| 1422 |
+
ATOM 437 N N7 . A A 1 14 ? 28.495 3.138 -2.120 1.00 0.00 ? 14 A A N7 1
|
| 1423 |
+
ATOM 438 C C5 . A A 1 14 ? 29.130 4.370 -2.054 1.00 0.00 ? 14 A A C5 1
|
| 1424 |
+
ATOM 439 C C6 . A A 1 14 ? 28.638 5.683 -1.950 1.00 0.00 ? 14 A A C6 1
|
| 1425 |
+
ATOM 440 N N6 . A A 1 14 ? 27.340 5.983 -1.888 1.00 0.00 ? 14 A A N6 1
|
| 1426 |
+
ATOM 441 N N1 . A A 1 14 ? 29.538 6.690 -1.910 1.00 0.00 ? 14 A A N1 1
|
| 1427 |
+
ATOM 442 C C2 . A A 1 14 ? 30.841 6.386 -1.970 1.00 0.00 ? 14 A A C2 1
|
| 1428 |
+
ATOM 443 N N3 . A A 1 14 ? 31.425 5.194 -2.067 1.00 0.00 ? 14 A A N3 1
|
| 1429 |
+
ATOM 444 C C4 . A A 1 14 ? 30.503 4.217 -2.106 1.00 0.00 ? 14 A A C4 1
|
| 1430 |
+
ATOM 445 H "H5'" . A A 1 14 ? 30.998 -1.256 -3.716 1.00 0.00 ? 14 A A "H5'" 1
|
| 1431 |
+
ATOM 446 H "H5''" . A A 1 14 ? 31.347 -2.142 -2.219 1.00 0.00 ? 14 A A "H5''" 1
|
| 1432 |
+
ATOM 447 H "H4'" . A A 1 14 ? 33.068 -0.602 -2.371 1.00 0.00 ? 14 A A "H4'" 1
|
| 1433 |
+
ATOM 448 H "H3'" . A A 1 14 ? 30.971 0.354 -0.459 1.00 0.00 ? 14 A A "H3'" 1
|
| 1434 |
+
ATOM 449 H "H2'" . A A 1 14 ? 32.204 2.399 -0.121 1.00 0.00 ? 14 A A "H2'" 1
|
| 1435 |
+
ATOM 450 H "HO2'" . A A 1 14 ? 34.261 0.883 -0.654 1.00 0.00 ? 14 A A "HO2'" 1
|
| 1436 |
+
ATOM 451 H "H1'" . A A 1 14 ? 32.713 2.869 -2.810 1.00 0.00 ? 14 A A "H1'" 1
|
| 1437 |
+
ATOM 452 H H8 . A A 1 14 ? 29.333 1.213 -2.277 1.00 0.00 ? 14 A A H8 1
|
| 1438 |
+
ATOM 453 H H61 . A A 1 14 ? 27.049 6.950 -1.817 1.00 0.00 ? 14 A A H61 1
|
| 1439 |
+
ATOM 454 H H62 . A A 1 14 ? 26.652 5.245 -1.915 1.00 0.00 ? 14 A A H62 1
|
| 1440 |
+
ATOM 455 H H2 . A A 1 14 ? 31.521 7.239 -1.940 1.00 0.00 ? 14 A A H2 1
|
| 1441 |
+
ATOM 456 P P . C A 1 15 ? 32.168 -0.752 1.549 1.00 0.00 ? 15 C A P 1
|
| 1442 |
+
ATOM 457 O OP1 . C A 1 15 ? 33.047 -1.772 2.177 1.00 0.00 ? 15 C A OP1 1
|
| 1443 |
+
ATOM 458 O OP2 . C A 1 15 ? 30.708 -1.005 1.448 1.00 0.00 ? 15 C A OP2 1
|
| 1444 |
+
ATOM 459 O "O5'" . C A 1 15 ? 32.380 0.624 2.323 1.00 0.00 ? 15 C A "O5'" 1
|
| 1445 |
+
ATOM 460 C "C5'" . C A 1 15 ? 33.620 1.325 2.248 1.00 0.00 ? 15 C A "C5'" 1
|
| 1446 |
+
ATOM 461 C "C4'" . C A 1 15 ? 33.441 2.753 2.712 1.00 0.00 ? 15 C A "C4'" 1
|
| 1447 |
+
ATOM 462 O "O4'" . C A 1 15 ? 32.767 3.513 1.674 1.00 0.00 ? 15 C A "O4'" 1
|
| 1448 |
+
ATOM 463 C "C3'" . C A 1 15 ? 32.555 2.940 3.934 1.00 0.00 ? 15 C A "C3'" 1
|
| 1449 |
+
ATOM 464 O "O3'" . C A 1 15 ? 33.269 2.718 5.145 1.00 0.00 ? 15 C A "O3'" 1
|
| 1450 |
+
ATOM 465 C "C2'" . C A 1 15 ? 32.096 4.385 3.782 1.00 0.00 ? 15 C A "C2'" 1
|
| 1451 |
+
ATOM 466 O "O2'" . C A 1 15 ? 33.104 5.297 4.174 1.00 0.00 ? 15 C A "O2'" 1
|
| 1452 |
+
ATOM 467 C "C1'" . C A 1 15 ? 31.916 4.479 2.268 1.00 0.00 ? 15 C A "C1'" 1
|
| 1453 |
+
ATOM 468 N N1 . C A 1 15 ? 30.533 4.223 1.832 1.00 0.00 ? 15 C A N1 1
|
| 1454 |
+
ATOM 469 C C2 . C A 1 15 ? 29.608 5.266 1.889 1.00 0.00 ? 15 C A C2 1
|
| 1455 |
+
ATOM 470 O O2 . C A 1 15 ? 29.979 6.373 2.300 1.00 0.00 ? 15 C A O2 1
|
| 1456 |
+
ATOM 471 N N3 . C A 1 15 ? 28.334 5.045 1.496 1.00 0.00 ? 15 C A N3 1
|
| 1457 |
+
ATOM 472 C C4 . C A 1 15 ? 27.975 3.841 1.048 1.00 0.00 ? 15 C A C4 1
|
| 1458 |
+
ATOM 473 N N4 . C A 1 15 ? 26.710 3.673 0.662 1.00 0.00 ? 15 C A N4 1
|
| 1459 |
+
ATOM 474 C C5 . C A 1 15 ? 28.899 2.757 0.976 1.00 0.00 ? 15 C A C5 1
|
| 1460 |
+
ATOM 475 C C6 . C A 1 15 ? 30.154 2.990 1.381 1.00 0.00 ? 15 C A C6 1
|
| 1461 |
+
ATOM 476 H "H5'" . C A 1 15 ? 33.981 1.326 1.219 1.00 0.00 ? 15 C A "H5'" 1
|
| 1462 |
+
ATOM 477 H "H5''" . C A 1 15 ? 34.358 0.838 2.883 1.00 0.00 ? 15 C A "H5''" 1
|
| 1463 |
+
ATOM 478 H "H4'" . C A 1 15 ? 34.425 3.144 2.970 1.00 0.00 ? 15 C A "H4'" 1
|
| 1464 |
+
ATOM 479 H "H3'" . C A 1 15 ? 31.724 2.236 3.939 1.00 0.00 ? 15 C A "H3'" 1
|
| 1465 |
+
ATOM 480 H "H2'" . C A 1 15 ? 31.154 4.546 4.308 1.00 0.00 ? 15 C A "H2'" 1
|
| 1466 |
+
ATOM 481 H "HO2'" . C A 1 15 ? 32.716 5.877 4.832 1.00 0.00 ? 15 C A "HO2'" 1
|
| 1467 |
+
ATOM 482 H "H1'" . C A 1 15 ? 32.217 5.452 1.878 1.00 0.00 ? 15 C A "H1'" 1
|
| 1468 |
+
ATOM 483 H H41 . C A 1 15 ? 26.064 4.448 0.718 1.00 0.00 ? 15 C A H41 1
|
| 1469 |
+
ATOM 484 H H42 . C A 1 15 ? 26.401 2.776 0.316 1.00 0.00 ? 15 C A H42 1
|
| 1470 |
+
ATOM 485 H H5 . C A 1 15 ? 28.595 1.779 0.605 1.00 0.00 ? 15 C A H5 1
|
| 1471 |
+
ATOM 486 H H6 . C A 1 15 ? 30.881 2.180 1.360 1.00 0.00 ? 15 C A H6 1
|
| 1472 |
+
ATOM 487 P P . U A 1 16 ? 32.464 2.574 6.529 1.00 0.00 ? 16 U A P 1
|
| 1473 |
+
ATOM 488 O OP1 . U A 1 16 ? 33.455 2.237 7.584 1.00 0.00 ? 16 U A OP1 1
|
| 1474 |
+
ATOM 489 O OP2 . U A 1 16 ? 31.300 1.679 6.304 1.00 0.00 ? 16 U A OP2 1
|
| 1475 |
+
ATOM 490 O "O5'" . U A 1 16 ? 31.914 4.043 6.813 1.00 0.00 ? 16 U A "O5'" 1
|
| 1476 |
+
ATOM 491 C "C5'" . U A 1 16 ? 32.804 5.106 7.154 1.00 0.00 ? 16 U A "C5'" 1
|
| 1477 |
+
ATOM 492 C "C4'" . U A 1 16 ? 32.063 6.426 7.177 1.00 0.00 ? 16 U A "C4'" 1
|
| 1478 |
+
ATOM 493 O "O4'" . U A 1 16 ? 31.260 6.550 5.974 1.00 0.00 ? 16 U A "O4'" 1
|
| 1479 |
+
ATOM 494 C "C3'" . U A 1 16 ? 31.058 6.605 8.306 1.00 0.00 ? 16 U A "C3'" 1
|
| 1480 |
+
ATOM 495 O "O3'" . U A 1 16 ? 31.693 7.018 9.512 1.00 0.00 ? 16 U A "O3'" 1
|
| 1481 |
+
ATOM 496 C "C2'" . U A 1 16 ? 30.121 7.667 7.741 1.00 0.00 ? 16 U A "C2'" 1
|
| 1482 |
+
ATOM 497 O "O2'" . U A 1 16 ? 30.685 8.962 7.828 1.00 0.00 ? 16 U A "O2'" 1
|
| 1483 |
+
ATOM 498 C "C1'" . U A 1 16 ? 30.069 7.262 6.268 1.00 0.00 ? 16 U A "C1'" 1
|
| 1484 |
+
ATOM 499 N N1 . U A 1 16 ? 28.918 6.408 5.939 1.00 0.00 ? 16 U A N1 1
|
| 1485 |
+
ATOM 500 C C2 . U A 1 16 ? 27.680 7.015 5.823 1.00 0.00 ? 16 U A C2 1
|
| 1486 |
+
ATOM 501 O O2 . U A 1 16 ? 27.510 8.211 5.982 1.00 0.00 ? 16 U A O2 1
|
| 1487 |
+
ATOM 502 N N3 . U A 1 16 ? 26.648 6.168 5.512 1.00 0.00 ? 16 U A N3 1
|
| 1488 |
+
ATOM 503 C C4 . U A 1 16 ? 26.722 4.810 5.304 1.00 0.00 ? 16 U A C4 1
|
| 1489 |
+
ATOM 504 O O4 . U A 1 16 ? 25.699 4.186 5.015 1.00 0.00 ? 16 U A O4 1
|
| 1490 |
+
ATOM 505 C C5 . U A 1 16 ? 28.032 4.257 5.442 1.00 0.00 ? 16 U A C5 1
|
| 1491 |
+
ATOM 506 C C6 . U A 1 16 ? 29.063 5.051 5.751 1.00 0.00 ? 16 U A C6 1
|
| 1492 |
+
ATOM 507 H "H5'" . U A 1 16 ? 33.609 5.160 6.421 1.00 0.00 ? 16 U A "H5'" 1
|
| 1493 |
+
ATOM 508 H "H5''" . U A 1 16 ? 33.234 4.925 8.138 1.00 0.00 ? 16 U A "H5''" 1
|
| 1494 |
+
ATOM 509 H "H4'" . U A 1 16 ? 32.805 7.218 7.288 1.00 0.00 ? 16 U A "H4'" 1
|
| 1495 |
+
ATOM 510 H "H3'" . U A 1 16 ? 30.543 5.673 8.538 1.00 0.00 ? 16 U A "H3'" 1
|
| 1496 |
+
ATOM 511 H "H2'" . U A 1 16 ? 29.137 7.604 8.210 1.00 0.00 ? 16 U A "H2'" 1
|
| 1497 |
+
ATOM 512 H "HO2'" . U A 1 16 ? 30.006 9.538 8.184 1.00 0.00 ? 16 U A "HO2'" 1
|
| 1498 |
+
ATOM 513 H "H1'" . U A 1 16 ? 30.044 8.128 5.606 1.00 0.00 ? 16 U A "H1'" 1
|
| 1499 |
+
ATOM 514 H H3 . U A 1 16 ? 25.736 6.597 5.426 1.00 0.00 ? 16 U A H3 1
|
| 1500 |
+
ATOM 515 H H5 . U A 1 16 ? 28.192 3.189 5.296 1.00 0.00 ? 16 U A H5 1
|
| 1501 |
+
ATOM 516 H H6 . U A 1 16 ? 30.052 4.607 5.864 1.00 0.00 ? 16 U A H6 1
|
| 1502 |
+
ATOM 517 P P . G A 1 17 ? 30.858 7.043 10.886 1.00 0.00 ? 17 G A P 1
|
| 1503 |
+
ATOM 518 O OP1 . G A 1 17 ? 31.811 7.224 12.012 1.00 0.00 ? 17 G A OP1 1
|
| 1504 |
+
ATOM 519 O OP2 . G A 1 17 ? 29.942 5.875 10.881 1.00 0.00 ? 17 G A OP2 1
|
| 1505 |
+
ATOM 520 O "O5'" . G A 1 17 ? 29.968 8.360 10.772 1.00 0.00 ? 17 G A "O5'" 1
|
| 1506 |
+
ATOM 521 C "C5'" . G A 1 17 ? 30.570 9.646 10.648 1.00 0.00 ? 17 G A "C5'" 1
|
| 1507 |
+
ATOM 522 C "C4'" . G A 1 17 ? 29.508 10.719 10.681 1.00 0.00 ? 17 G A "C4'" 1
|
| 1508 |
+
ATOM 523 O "O4'" . G A 1 17 ? 28.679 10.587 9.494 1.00 0.00 ? 17 G A "O4'" 1
|
| 1509 |
+
ATOM 524 C "C3'" . G A 1 17 ? 28.542 10.636 11.856 1.00 0.00 ? 17 G A "C3'" 1
|
| 1510 |
+
ATOM 525 O "O3'" . G A 1 17 ? 29.025 11.375 12.974 1.00 0.00 ? 17 G A "O3'" 1
|
| 1511 |
+
ATOM 526 C "C2'" . G A 1 17 ? 27.258 11.221 11.282 1.00 0.00 ? 17 G A "C2'" 1
|
| 1512 |
+
ATOM 527 O "O2'" . G A 1 17 ? 27.306 12.635 11.258 1.00 0.00 ? 17 G A "O2'" 1
|
| 1513 |
+
ATOM 528 C "C1'" . G A 1 17 ? 27.313 10.706 9.845 1.00 0.00 ? 17 G A "C1'" 1
|
| 1514 |
+
ATOM 529 N N9 . G A 1 17 ? 26.675 9.407 9.654 1.00 0.00 ? 17 G A N9 1
|
| 1515 |
+
ATOM 530 C C8 . G A 1 17 ? 27.283 8.176 9.678 1.00 0.00 ? 17 G A C8 1
|
| 1516 |
+
ATOM 531 N N7 . G A 1 17 ? 26.461 7.191 9.446 1.00 0.00 ? 17 G A N7 1
|
| 1517 |
+
ATOM 532 C C5 . G A 1 17 ? 25.230 7.807 9.266 1.00 0.00 ? 17 G A C5 1
|
| 1518 |
+
ATOM 533 C C6 . G A 1 17 ? 23.956 7.250 8.989 1.00 0.00 ? 17 G A C6 1
|
| 1519 |
+
ATOM 534 O O6 . G A 1 17 ? 23.651 6.061 8.835 1.00 0.00 ? 17 G A O6 1
|
| 1520 |
+
ATOM 535 N N1 . G A 1 17 ? 22.979 8.233 8.890 1.00 0.00 ? 17 G A N1 1
|
| 1521 |
+
ATOM 536 C C2 . G A 1 17 ? 23.196 9.578 9.039 1.00 0.00 ? 17 G A C2 1
|
| 1522 |
+
ATOM 537 N N2 . G A 1 17 ? 22.121 10.365 8.902 1.00 0.00 ? 17 G A N2 1
|
| 1523 |
+
ATOM 538 N N3 . G A 1 17 ? 24.376 10.113 9.300 1.00 0.00 ? 17 G A N3 1
|
| 1524 |
+
ATOM 539 C C4 . G A 1 17 ? 25.343 9.175 9.399 1.00 0.00 ? 17 G A C4 1
|
| 1525 |
+
ATOM 540 H "H5'" . G A 1 17 ? 31.114 9.709 9.705 1.00 0.00 ? 17 G A "H5'" 1
|
| 1526 |
+
ATOM 541 H "H5''" . G A 1 17 ? 31.265 9.810 11.470 1.00 0.00 ? 17 G A "H5''" 1
|
| 1527 |
+
ATOM 542 H "H4'" . G A 1 17 ? 30.014 11.683 10.756 1.00 0.00 ? 17 G A "H4'" 1
|
| 1528 |
+
ATOM 543 H "H3'" . G A 1 17 ? 28.417 9.610 12.203 1.00 0.00 ? 17 G A "H3'" 1
|
| 1529 |
+
ATOM 544 H "H2'" . G A 1 17 ? 26.386 10.837 11.814 1.00 0.00 ? 17 G A "H2'" 1
|
| 1530 |
+
ATOM 545 H "HO2'" . G A 1 17 ? 28.060 12.894 11.789 1.00 0.00 ? 17 G A "HO2'" 1
|
| 1531 |
+
ATOM 546 H "H1'" . G A 1 17 ? 26.867 11.406 9.140 1.00 0.00 ? 17 G A "H1'" 1
|
| 1532 |
+
ATOM 547 H H8 . G A 1 17 ? 28.335 8.038 9.879 1.00 0.00 ? 17 G A H8 1
|
| 1533 |
+
ATOM 548 H H1 . G A 1 17 ? 22.039 7.925 8.694 1.00 0.00 ? 17 G A H1 1
|
| 1534 |
+
ATOM 549 H H21 . G A 1 17 ? 21.218 9.954 8.704 1.00 0.00 ? 17 G A H21 1
|
| 1535 |
+
ATOM 550 H H22 . G A 1 17 ? 22.214 11.366 8.998 1.00 0.00 ? 17 G A H22 1
|
| 1536 |
+
ATOM 551 P P . A A 1 18 ? 28.582 10.956 14.462 1.00 0.00 ? 18 A A P 1
|
| 1537 |
+
ATOM 552 O OP1 . A A 1 18 ? 29.249 11.874 15.421 1.00 0.00 ? 18 A A OP1 1
|
| 1538 |
+
ATOM 553 O OP2 . A A 1 18 ? 28.774 9.489 14.596 1.00 0.00 ? 18 A A OP2 1
|
| 1539 |
+
ATOM 554 O "O5'" . A A 1 18 ? 27.016 11.248 14.492 1.00 0.00 ? 18 A A "O5'" 1
|
| 1540 |
+
ATOM 555 C "C5'" . A A 1 18 ? 26.515 12.582 14.439 1.00 0.00 ? 18 A A "C5'" 1
|
| 1541 |
+
ATOM 556 C "C4'" . A A 1 18 ? 25.050 12.600 14.803 1.00 0.00 ? 18 A A "C4'" 1
|
| 1542 |
+
ATOM 557 O "O4'" . A A 1 18 ? 24.270 12.175 13.650 1.00 0.00 ? 18 A A "O4'" 1
|
| 1543 |
+
ATOM 558 C "C3'" . A A 1 18 ? 24.655 11.644 15.921 1.00 0.00 ? 18 A A "C3'" 1
|
| 1544 |
+
ATOM 559 O "O3'" . A A 1 18 ? 24.805 12.251 17.200 1.00 0.00 ? 18 A A "O3'" 1
|
| 1545 |
+
ATOM 560 C "C2'" . A A 1 18 ? 23.204 11.327 15.585 1.00 0.00 ? 18 A A "C2'" 1
|
| 1546 |
+
ATOM 561 O "O2'" . A A 1 18 ? 22.348 12.388 15.964 1.00 0.00 ? 18 A A "O2'" 1
|
| 1547 |
+
ATOM 562 C "C1'" . A A 1 18 ? 23.268 11.264 14.061 1.00 0.00 ? 18 A A "C1'" 1
|
| 1548 |
+
ATOM 563 N N9 . A A 1 18 ? 23.604 9.943 13.533 1.00 0.00 ? 18 A A N9 1
|
| 1549 |
+
ATOM 564 C C8 . A A 1 18 ? 24.842 9.392 13.308 1.00 0.00 ? 18 A A C8 1
|
| 1550 |
+
ATOM 565 N N7 . A A 1 18 ? 24.796 8.178 12.813 1.00 0.00 ? 18 A A N7 1
|
| 1551 |
+
ATOM 566 C C5 . A A 1 18 ? 23.437 7.914 12.706 1.00 0.00 ? 18 A A C5 1
|
| 1552 |
+
ATOM 567 C C6 . A A 1 18 ? 22.720 6.794 12.250 1.00 0.00 ? 18 A A C6 1
|
| 1553 |
+
ATOM 568 N N6 . A A 1 18 ? 23.295 5.679 11.796 1.00 0.00 ? 18 A A N6 1
|
| 1554 |
+
ATOM 569 N N1 . A A 1 18 ? 21.371 6.860 12.276 1.00 0.00 ? 18 A A N1 1
|
| 1555 |
+
ATOM 570 C C2 . A A 1 18 ? 20.793 7.980 12.736 1.00 0.00 ? 18 A A C2 1
|
| 1556 |
+
ATOM 571 N N3 . A A 1 18 ? 21.358 9.090 13.192 1.00 0.00 ? 18 A A N3 1
|
| 1557 |
+
ATOM 572 C C4 . A A 1 18 ? 22.695 8.992 13.149 1.00 0.00 ? 18 A A C4 1
|
| 1558 |
+
ATOM 573 H "H5'" . A A 1 18 ? 26.640 12.983 13.433 1.00 0.00 ? 18 A A "H5'" 1
|
| 1559 |
+
ATOM 574 H "H5''" . A A 1 18 ? 27.061 13.211 15.141 1.00 0.00 ? 18 A A "H5''" 1
|
| 1560 |
+
ATOM 575 H "H4'" . A A 1 18 ? 24.808 13.606 15.148 1.00 0.00 ? 18 A A "H4'" 1
|
| 1561 |
+
ATOM 576 H "H3'" . A A 1 18 ? 25.285 10.756 15.930 1.00 0.00 ? 18 A A "H3'" 1
|
| 1562 |
+
ATOM 577 H "H2'" . A A 1 18 ? 22.907 10.370 16.016 1.00 0.00 ? 18 A A "H2'" 1
|
| 1563 |
+
ATOM 578 H "HO2'" . A A 1 18 ? 22.843 12.934 16.576 1.00 0.00 ? 18 A A "HO2'" 1
|
| 1564 |
+
ATOM 579 H "H1'" . A A 1 18 ? 22.331 11.582 13.597 1.00 0.00 ? 18 A A "H1'" 1
|
| 1565 |
+
ATOM 580 H H8 . A A 1 18 ? 25.766 9.910 13.518 1.00 0.00 ? 18 A A H8 1
|
| 1566 |
+
ATOM 581 H H61 . A A 1 18 ? 22.727 4.903 11.480 1.00 0.00 ? 18 A A H61 1
|
| 1567 |
+
ATOM 582 H H62 . A A 1 18 ? 24.302 5.609 11.768 1.00 0.00 ? 18 A A H62 1
|
| 1568 |
+
ATOM 583 H H2 . A A 1 18 ? 19.705 7.983 12.732 1.00 0.00 ? 18 A A H2 1
|
| 1569 |
+
ATOM 584 P P . C A 1 19 ? 25.317 11.373 18.447 1.00 0.00 ? 19 C A P 1
|
| 1570 |
+
ATOM 585 O OP1 . C A 1 19 ? 25.681 12.317 19.533 1.00 0.00 ? 19 C A OP1 1
|
| 1571 |
+
ATOM 586 O OP2 . C A 1 19 ? 26.321 10.392 17.959 1.00 0.00 ? 19 C A OP2 1
|
| 1572 |
+
ATOM 587 O "O5'" . C A 1 19 ? 24.020 10.567 18.902 1.00 0.00 ? 19 C A "O5'" 1
|
| 1573 |
+
ATOM 588 C "C5'" . C A 1 19 ? 22.782 11.238 19.124 1.00 0.00 ? 19 C A "C5'" 1
|
| 1574 |
+
ATOM 589 C "C4'" . C A 1 19 ? 21.644 10.244 19.126 1.00 0.00 ? 19 C A "C4'" 1
|
| 1575 |
+
ATOM 590 O "O4'" . C A 1 19 ? 21.383 9.816 17.761 1.00 0.00 ? 19 C A "O4'" 1
|
| 1576 |
+
ATOM 591 C "C3'" . C A 1 19 ? 21.907 8.947 19.879 1.00 0.00 ? 19 C A "C3'" 1
|
| 1577 |
+
ATOM 592 O "O3'" . C A 1 19 ? 21.656 9.086 21.273 1.00 0.00 ? 19 C A "O3'" 1
|
| 1578 |
+
ATOM 593 C "C2'" . C A 1 19 ? 20.941 7.984 19.203 1.00 0.00 ? 19 C A "C2'" 1
|
| 1579 |
+
ATOM 594 O "O2'" . C A 1 19 ? 19.614 8.197 19.644 1.00 0.00 ? 19 C A "O2'" 1
|
| 1580 |
+
ATOM 595 C "C1'" . C A 1 19 ? 21.055 8.436 17.748 1.00 0.00 ? 19 C A "C1'" 1
|
| 1581 |
+
ATOM 596 N N1 . C A 1 19 ? 22.091 7.717 16.987 1.00 0.00 ? 19 C A N1 1
|
| 1582 |
+
ATOM 597 C C2 . C A 1 19 ? 21.749 6.523 16.349 1.00 0.00 ? 19 C A C2 1
|
| 1583 |
+
ATOM 598 O O2 . C A 1 19 ? 20.589 6.099 16.451 1.00 0.00 ? 19 C A O2 1
|
| 1584 |
+
ATOM 599 N N3 . C A 1 19 ? 22.687 5.861 15.637 1.00 0.00 ? 19 C A N3 1
|
| 1585 |
+
ATOM 600 C C4 . C A 1 19 ? 23.926 6.349 15.551 1.00 0.00 ? 19 C A C4 1
|
| 1586 |
+
ATOM 601 N N4 . C A 1 19 ? 24.818 5.665 14.835 1.00 0.00 ? 19 C A N4 1
|
| 1587 |
+
ATOM 602 C C5 . C A 1 19 ? 24.305 7.562 16.196 1.00 0.00 ? 19 C A C5 1
|
| 1588 |
+
ATOM 603 C C6 . C A 1 19 ? 23.365 8.205 16.900 1.00 0.00 ? 19 C A C6 1
|
| 1589 |
+
ATOM 604 H "H5'" . C A 1 19 ? 22.614 11.973 18.336 1.00 0.00 ? 19 C A "H5'" 1
|
| 1590 |
+
ATOM 605 H "H5''" . C A 1 19 ? 22.806 11.749 20.086 1.00 0.00 ? 19 C A "H5''" 1
|
| 1591 |
+
ATOM 606 H "H4'" . C A 1 19 ? 20.789 10.720 19.605 1.00 0.00 ? 19 C A "H4'" 1
|
| 1592 |
+
ATOM 607 H "H3'" . C A 1 19 ? 22.946 8.633 19.786 1.00 0.00 ? 19 C A "H3'" 1
|
| 1593 |
+
ATOM 608 H "H2'" . C A 1 19 ? 21.270 6.951 19.332 1.00 0.00 ? 19 C A "H2'" 1
|
| 1594 |
+
ATOM 609 H "HO2'" . C A 1 19 ? 19.669 8.771 20.409 1.00 0.00 ? 19 C A "HO2'" 1
|
| 1595 |
+
ATOM 610 H "H1'" . C A 1 19 ? 20.112 8.337 17.210 1.00 0.00 ? 19 C A "H1'" 1
|
| 1596 |
+
ATOM 611 H H41 . C A 1 19 ? 24.541 4.805 14.382 1.00 0.00 ? 19 C A H41 1
|
| 1597 |
+
ATOM 612 H H42 . C A 1 19 ? 25.765 6.005 14.748 1.00 0.00 ? 19 C A H42 1
|
| 1598 |
+
ATOM 613 H H5 . C A 1 19 ? 25.321 7.948 16.123 1.00 0.00 ? 19 C A H5 1
|
| 1599 |
+
ATOM 614 H H6 . C A 1 19 ? 23.623 9.131 17.413 1.00 0.00 ? 19 C A H6 1
|
| 1600 |
+
ATOM 615 P P . C A 1 20 ? 22.316 8.048 22.308 1.00 0.00 ? 20 C A P 1
|
| 1601 |
+
ATOM 616 O OP1 . C A 1 20 ? 22.004 8.530 23.678 1.00 0.00 ? 20 C A OP1 1
|
| 1602 |
+
ATOM 617 O OP2 . C A 1 20 ? 23.730 7.822 21.915 1.00 0.00 ? 20 C A OP2 1
|
| 1603 |
+
ATOM 618 O "O5'" . C A 1 20 ? 21.509 6.696 22.061 1.00 0.00 ? 20 C A "O5'" 1
|
| 1604 |
+
ATOM 619 C "C5'" . C A 1 20 ? 20.133 6.586 22.417 1.00 0.00 ? 20 C A "C5'" 1
|
| 1605 |
+
ATOM 620 C "C4'" . C A 1 20 ? 19.674 5.153 22.286 1.00 0.00 ? 20 C A "C4'" 1
|
| 1606 |
+
ATOM 621 O "O4'" . C A 1 20 ? 19.550 4.831 20.874 1.00 0.00 ? 20 C A "O4'" 1
|
| 1607 |
+
ATOM 622 C "C3'" . C A 1 20 ? 20.634 4.110 22.842 1.00 0.00 ? 20 C A "C3'" 1
|
| 1608 |
+
ATOM 623 O "O3'" . C A 1 20 ? 20.432 3.872 24.237 1.00 0.00 ? 20 C A "O3'" 1
|
| 1609 |
+
ATOM 624 C "C2'" . C A 1 20 ? 20.315 2.883 21.996 1.00 0.00 ? 20 C A "C2'" 1
|
| 1610 |
+
ATOM 625 O "O2'" . C A 1 20 ? 19.139 2.240 22.452 1.00 0.00 ? 20 C A "O2'" 1
|
| 1611 |
+
ATOM 626 C "C1'" . C A 1 20 ? 20.030 3.521 20.637 1.00 0.00 ? 20 C A "C1'" 1
|
| 1612 |
+
ATOM 627 N N1 . C A 1 20 ? 21.210 3.609 19.761 1.00 0.00 ? 20 C A N1 1
|
| 1613 |
+
ATOM 628 C C2 . C A 1 20 ? 21.466 2.567 18.866 1.00 0.00 ? 20 C A C2 1
|
| 1614 |
+
ATOM 629 O O2 . C A 1 20 ? 20.698 1.594 18.840 1.00 0.00 ? 20 C A O2 1
|
| 1615 |
+
ATOM 630 N N3 . C A 1 20 ? 22.544 2.644 18.052 1.00 0.00 ? 20 C A N3 1
|
| 1616 |
+
ATOM 631 C C4 . C A 1 20 ? 23.347 3.709 18.110 1.00 0.00 ? 20 C A C4 1
|
| 1617 |
+
ATOM 632 N N4 . C A 1 20 ? 24.396 3.747 17.288 1.00 0.00 ? 20 C A N4 1
|
| 1618 |
+
ATOM 633 C C5 . C A 1 20 ? 23.111 4.784 19.014 1.00 0.00 ? 20 C A C5 1
|
| 1619 |
+
ATOM 634 C C6 . C A 1 20 ? 22.043 4.692 19.815 1.00 0.00 ? 20 C A C6 1
|
| 1620 |
+
ATOM 635 H "H5'" . C A 1 20 ? 19.531 7.217 21.762 1.00 0.00 ? 20 C A "H5'" 1
|
| 1621 |
+
ATOM 636 H "H5''" . C A 1 20 ? 19.991 6.910 23.448 1.00 0.00 ? 20 C A "H5''" 1
|
| 1622 |
+
ATOM 637 H "H4'" . C A 1 20 ? 18.740 5.053 22.841 1.00 0.00 ? 20 C A "H4'" 1
|
| 1623 |
+
ATOM 638 H "H3'" . C A 1 20 ? 21.671 4.428 22.740 1.00 0.00 ? 20 C A "H3'" 1
|
| 1624 |
+
ATOM 639 H "HO3'" . C A 1 20 ? 20.048 2.995 24.321 1.00 0.00 ? 20 C A "HO3'" 1
|
| 1625 |
+
ATOM 640 H "H2'" . C A 1 20 ? 21.175 2.211 21.953 1.00 0.00 ? 20 C A "H2'" 1
|
| 1626 |
+
ATOM 641 H "HO2'" . C A 1 20 ? 18.394 2.658 22.017 1.00 0.00 ? 20 C A "HO2'" 1
|
| 1627 |
+
ATOM 642 H "H1'" . C A 1 20 ? 19.248 2.991 20.093 1.00 0.00 ? 20 C A "H1'" 1
|
| 1628 |
+
ATOM 643 H H41 . C A 1 20 ? 24.563 2.984 16.642 1.00 0.00 ? 20 C A H41 1
|
| 1629 |
+
ATOM 644 H H42 . C A 1 20 ? 25.023 4.537 17.306 1.00 0.00 ? 20 C A H42 1
|
| 1630 |
+
ATOM 645 H H5 . C A 1 20 ? 23.775 5.648 19.052 1.00 0.00 ? 20 C A H5 1
|
| 1631 |
+
ATOM 646 H H6 . C A 1 20 ? 21.839 5.493 20.525 1.00 0.00 ? 20 C A H6 1
|
| 1632 |
+
#
|
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structures/3fo6.cif
ADDED
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|
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structures/3hox.cif
ADDED
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structures/3j7a.cif
ADDED
|
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|
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|
structures/3mij.cif
ADDED
|
@@ -0,0 +1,1776 @@
|
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|
| 1 |
+
data_3MIJ
|
| 2 |
+
#
|
| 3 |
+
_entry.id 3MIJ
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.379
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 3MIJ pdb_00003mij 10.2210/pdb3mij/pdb
|
| 15 |
+
NDB NA0512 ? ?
|
| 16 |
+
RCSB RCSB058588 ? ?
|
| 17 |
+
WWPDB D_1000058588 ? ?
|
| 18 |
+
#
|
| 19 |
+
_pdbx_database_status.status_code REL
|
| 20 |
+
_pdbx_database_status.entry_id 3MIJ
|
| 21 |
+
_pdbx_database_status.recvd_initial_deposition_date 2010-04-10
|
| 22 |
+
_pdbx_database_status.deposit_site RCSB
|
| 23 |
+
_pdbx_database_status.process_site RCSB
|
| 24 |
+
_pdbx_database_status.status_code_sf REL
|
| 25 |
+
_pdbx_database_status.status_code_mr ?
|
| 26 |
+
_pdbx_database_status.SG_entry ?
|
| 27 |
+
_pdbx_database_status.status_code_cs ?
|
| 28 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 29 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 30 |
+
_pdbx_database_status.methods_development_category ?
|
| 31 |
+
#
|
| 32 |
+
loop_
|
| 33 |
+
_audit_author.name
|
| 34 |
+
_audit_author.pdbx_ordinal
|
| 35 |
+
'Collie, G.W.' 1
|
| 36 |
+
'Neidle, S.' 2
|
| 37 |
+
'Parkinson, G.N.' 3
|
| 38 |
+
#
|
| 39 |
+
_citation.id primary
|
| 40 |
+
_citation.title 'Structural basis of telomeric RNA quadruplex-acridine ligand recognition.'
|
| 41 |
+
_citation.journal_abbrev J.Am.Chem.Soc.
|
| 42 |
+
_citation.journal_volume 133
|
| 43 |
+
_citation.page_first 2721
|
| 44 |
+
_citation.page_last 2728
|
| 45 |
+
_citation.year 2011
|
| 46 |
+
_citation.journal_id_ASTM JACSAT
|
| 47 |
+
_citation.country US
|
| 48 |
+
_citation.journal_id_ISSN 0002-7863
|
| 49 |
+
_citation.journal_id_CSD 0004
|
| 50 |
+
_citation.book_publisher ?
|
| 51 |
+
_citation.pdbx_database_id_PubMed 21291211
|
| 52 |
+
_citation.pdbx_database_id_DOI 10.1021/ja109767y
|
| 53 |
+
#
|
| 54 |
+
loop_
|
| 55 |
+
_citation_author.citation_id
|
| 56 |
+
_citation_author.name
|
| 57 |
+
_citation_author.ordinal
|
| 58 |
+
_citation_author.identifier_ORCID
|
| 59 |
+
primary 'Collie, G.W.' 1 ?
|
| 60 |
+
primary 'Sparapani, S.' 2 ?
|
| 61 |
+
primary 'Parkinson, G.N.' 3 ?
|
| 62 |
+
primary 'Neidle, S.' 4 ?
|
| 63 |
+
#
|
| 64 |
+
_cell.entry_id 3MIJ
|
| 65 |
+
_cell.length_a 56.606
|
| 66 |
+
_cell.length_b 56.606
|
| 67 |
+
_cell.length_c 56.606
|
| 68 |
+
_cell.angle_alpha 90.00
|
| 69 |
+
_cell.angle_beta 90.00
|
| 70 |
+
_cell.angle_gamma 90.00
|
| 71 |
+
_cell.Z_PDB 12
|
| 72 |
+
_cell.pdbx_unique_axis ?
|
| 73 |
+
_cell.length_a_esd ?
|
| 74 |
+
_cell.length_b_esd ?
|
| 75 |
+
_cell.length_c_esd ?
|
| 76 |
+
_cell.angle_alpha_esd ?
|
| 77 |
+
_cell.angle_beta_esd ?
|
| 78 |
+
_cell.angle_gamma_esd ?
|
| 79 |
+
#
|
| 80 |
+
_symmetry.entry_id 3MIJ
|
| 81 |
+
_symmetry.space_group_name_H-M 'P 2 3'
|
| 82 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 83 |
+
_symmetry.cell_setting ?
|
| 84 |
+
_symmetry.Int_Tables_number 195
|
| 85 |
+
_symmetry.space_group_name_Hall ?
|
| 86 |
+
#
|
| 87 |
+
loop_
|
| 88 |
+
_entity.id
|
| 89 |
+
_entity.type
|
| 90 |
+
_entity.src_method
|
| 91 |
+
_entity.pdbx_description
|
| 92 |
+
_entity.formula_weight
|
| 93 |
+
_entity.pdbx_number_of_molecules
|
| 94 |
+
_entity.pdbx_ec
|
| 95 |
+
_entity.pdbx_mutation
|
| 96 |
+
_entity.pdbx_fragment
|
| 97 |
+
_entity.details
|
| 98 |
+
1 polymer syn
|
| 99 |
+
;RNA (5'-R(*UP*AP*GP*GP*GP*UP*UP*AP*GP*GP*GP*U)-3')
|
| 100 |
+
;
|
| 101 |
+
3909.352 1 ? ? ? 'Human telomeric RNA sequence'
|
| 102 |
+
2 non-polymer syn 'POTASSIUM ION' 39.098
|
| 103 |
+
2 ? ? ? ?
|
| 104 |
+
3 non-polymer syn "N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]"
|
| 105 |
+
749.906 1 ? ? ? ?
|
| 106 |
+
4 water nat water 18.015
|
| 107 |
+
16 ? ? ? ?
|
| 108 |
+
#
|
| 109 |
+
_entity_poly.entity_id 1
|
| 110 |
+
_entity_poly.type polyribonucleotide
|
| 111 |
+
_entity_poly.nstd_linkage no
|
| 112 |
+
_entity_poly.nstd_monomer no
|
| 113 |
+
_entity_poly.pdbx_seq_one_letter_code UAGGGUUAGGGU
|
| 114 |
+
_entity_poly.pdbx_seq_one_letter_code_can UAGGGUUAGGGU
|
| 115 |
+
_entity_poly.pdbx_strand_id A
|
| 116 |
+
_entity_poly.pdbx_target_identifier ?
|
| 117 |
+
#
|
| 118 |
+
loop_
|
| 119 |
+
_entity_poly_seq.entity_id
|
| 120 |
+
_entity_poly_seq.num
|
| 121 |
+
_entity_poly_seq.mon_id
|
| 122 |
+
_entity_poly_seq.hetero
|
| 123 |
+
1 1 U n
|
| 124 |
+
1 2 A n
|
| 125 |
+
1 3 G n
|
| 126 |
+
1 4 G n
|
| 127 |
+
1 5 G n
|
| 128 |
+
1 6 U n
|
| 129 |
+
1 7 U n
|
| 130 |
+
1 8 A n
|
| 131 |
+
1 9 G n
|
| 132 |
+
1 10 G n
|
| 133 |
+
1 11 G n
|
| 134 |
+
1 12 U n
|
| 135 |
+
#
|
| 136 |
+
_pdbx_entity_src_syn.entity_id 1
|
| 137 |
+
_pdbx_entity_src_syn.pdbx_src_id 1
|
| 138 |
+
_pdbx_entity_src_syn.pdbx_alt_source_flag sample
|
| 139 |
+
_pdbx_entity_src_syn.pdbx_beg_seq_num ?
|
| 140 |
+
_pdbx_entity_src_syn.pdbx_end_seq_num ?
|
| 141 |
+
_pdbx_entity_src_syn.organism_scientific 'Homo sapiens'
|
| 142 |
+
_pdbx_entity_src_syn.organism_common_name human
|
| 143 |
+
_pdbx_entity_src_syn.ncbi_taxonomy_id 9606
|
| 144 |
+
_pdbx_entity_src_syn.details 'This sequence occurs naturally in humans.'
|
| 145 |
+
#
|
| 146 |
+
_struct_ref.id 1
|
| 147 |
+
_struct_ref.db_name PDB
|
| 148 |
+
_struct_ref.db_code 3MIJ
|
| 149 |
+
_struct_ref.pdbx_db_accession 3MIJ
|
| 150 |
+
_struct_ref.entity_id 1
|
| 151 |
+
_struct_ref.pdbx_align_begin ?
|
| 152 |
+
_struct_ref.pdbx_seq_one_letter_code UAGGGUUAGGGU
|
| 153 |
+
_struct_ref.pdbx_db_isoform ?
|
| 154 |
+
#
|
| 155 |
+
_struct_ref_seq.align_id 1
|
| 156 |
+
_struct_ref_seq.ref_id 1
|
| 157 |
+
_struct_ref_seq.pdbx_PDB_id_code 3MIJ
|
| 158 |
+
_struct_ref_seq.pdbx_strand_id A
|
| 159 |
+
_struct_ref_seq.seq_align_beg 1
|
| 160 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code ?
|
| 161 |
+
_struct_ref_seq.seq_align_end 12
|
| 162 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code ?
|
| 163 |
+
_struct_ref_seq.pdbx_db_accession 3MIJ
|
| 164 |
+
_struct_ref_seq.db_align_beg 1
|
| 165 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code ?
|
| 166 |
+
_struct_ref_seq.db_align_end 12
|
| 167 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code ?
|
| 168 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg 1
|
| 169 |
+
_struct_ref_seq.pdbx_auth_seq_align_end 12
|
| 170 |
+
#
|
| 171 |
+
loop_
|
| 172 |
+
_chem_comp.id
|
| 173 |
+
_chem_comp.type
|
| 174 |
+
_chem_comp.mon_nstd_flag
|
| 175 |
+
_chem_comp.name
|
| 176 |
+
_chem_comp.pdbx_synonyms
|
| 177 |
+
_chem_comp.formula
|
| 178 |
+
_chem_comp.formula_weight
|
| 179 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ?
|
| 180 |
+
'C10 H14 N5 O7 P' 347.221
|
| 181 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ?
|
| 182 |
+
'C10 H14 N5 O8 P' 363.221
|
| 183 |
+
HOH non-polymer . WATER ?
|
| 184 |
+
'H2 O' 18.015
|
| 185 |
+
K non-polymer . 'POTASSIUM ION' ?
|
| 186 |
+
'K 1' 39.098
|
| 187 |
+
R14 non-polymer . "N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]"
|
| 188 |
+
'triazole-acridine conjugate' 'C43 H47 N11 O2' 749.906
|
| 189 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ?
|
| 190 |
+
'C9 H13 N2 O9 P' 324.181
|
| 191 |
+
#
|
| 192 |
+
_exptl.entry_id 3MIJ
|
| 193 |
+
_exptl.method 'X-RAY DIFFRACTION'
|
| 194 |
+
_exptl.crystals_number 1
|
| 195 |
+
#
|
| 196 |
+
_exptl_crystal.id 1
|
| 197 |
+
_exptl_crystal.density_meas ?
|
| 198 |
+
_exptl_crystal.density_Matthews 3.87
|
| 199 |
+
_exptl_crystal.density_percent_sol 68.19
|
| 200 |
+
_exptl_crystal.description ?
|
| 201 |
+
_exptl_crystal.F_000 ?
|
| 202 |
+
_exptl_crystal.preparation ?
|
| 203 |
+
#
|
| 204 |
+
_exptl_crystal_grow.crystal_id 1
|
| 205 |
+
_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
|
| 206 |
+
_exptl_crystal_grow.temp 285
|
| 207 |
+
_exptl_crystal_grow.temp_details ?
|
| 208 |
+
_exptl_crystal_grow.pH 6.5
|
| 209 |
+
_exptl_crystal_grow.pdbx_details
|
| 210 |
+
;MPD, sodium chloride, potassium chloride, sodium cacodylate, potassium cacodylate, spermine, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K
|
| 211 |
+
;
|
| 212 |
+
_exptl_crystal_grow.pdbx_pH_range ?
|
| 213 |
+
#
|
| 214 |
+
_diffrn.id 1
|
| 215 |
+
_diffrn.ambient_temp 100
|
| 216 |
+
_diffrn.ambient_temp_details ?
|
| 217 |
+
_diffrn.crystal_id 1
|
| 218 |
+
#
|
| 219 |
+
_diffrn_detector.diffrn_id 1
|
| 220 |
+
_diffrn_detector.detector CCD
|
| 221 |
+
_diffrn_detector.type 'ADSC QUANTUM 315'
|
| 222 |
+
_diffrn_detector.pdbx_collection_date 2010-02-01
|
| 223 |
+
_diffrn_detector.details Monochromator
|
| 224 |
+
#
|
| 225 |
+
_diffrn_radiation.diffrn_id 1
|
| 226 |
+
_diffrn_radiation.wavelength_id 1
|
| 227 |
+
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
|
| 228 |
+
_diffrn_radiation.monochromator ?
|
| 229 |
+
_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
|
| 230 |
+
_diffrn_radiation.pdbx_scattering_type x-ray
|
| 231 |
+
#
|
| 232 |
+
_diffrn_radiation_wavelength.id 1
|
| 233 |
+
_diffrn_radiation_wavelength.wavelength 0.97630
|
| 234 |
+
_diffrn_radiation_wavelength.wt 1.0
|
| 235 |
+
#
|
| 236 |
+
_diffrn_source.diffrn_id 1
|
| 237 |
+
_diffrn_source.source SYNCHROTRON
|
| 238 |
+
_diffrn_source.type 'DIAMOND BEAMLINE I04'
|
| 239 |
+
_diffrn_source.pdbx_synchrotron_site Diamond
|
| 240 |
+
_diffrn_source.pdbx_synchrotron_beamline I04
|
| 241 |
+
_diffrn_source.pdbx_wavelength ?
|
| 242 |
+
_diffrn_source.pdbx_wavelength_list 0.97630
|
| 243 |
+
#
|
| 244 |
+
_reflns.entry_id 3MIJ
|
| 245 |
+
_reflns.observed_criterion_sigma_I 2.0
|
| 246 |
+
_reflns.observed_criterion_sigma_F 2.0
|
| 247 |
+
_reflns.d_resolution_low 17.90
|
| 248 |
+
_reflns.d_resolution_high 2.40
|
| 249 |
+
_reflns.number_obs 2511
|
| 250 |
+
_reflns.number_all 2511
|
| 251 |
+
_reflns.percent_possible_obs 100
|
| 252 |
+
_reflns.pdbx_Rmerge_I_obs 0.055
|
| 253 |
+
_reflns.pdbx_Rsym_value ?
|
| 254 |
+
_reflns.pdbx_netI_over_sigmaI 16.1
|
| 255 |
+
_reflns.B_iso_Wilson_estimate 26.462
|
| 256 |
+
_reflns.pdbx_redundancy 6.6
|
| 257 |
+
_reflns.R_free_details ?
|
| 258 |
+
_reflns.limit_h_max ?
|
| 259 |
+
_reflns.limit_h_min ?
|
| 260 |
+
_reflns.limit_k_max ?
|
| 261 |
+
_reflns.limit_k_min ?
|
| 262 |
+
_reflns.limit_l_max ?
|
| 263 |
+
_reflns.limit_l_min ?
|
| 264 |
+
_reflns.observed_criterion_F_max ?
|
| 265 |
+
_reflns.observed_criterion_F_min ?
|
| 266 |
+
_reflns.pdbx_chi_squared ?
|
| 267 |
+
_reflns.pdbx_scaling_rejects ?
|
| 268 |
+
_reflns.pdbx_diffrn_id 1
|
| 269 |
+
_reflns.pdbx_ordinal 1
|
| 270 |
+
#
|
| 271 |
+
_reflns_shell.d_res_high 2.40
|
| 272 |
+
_reflns_shell.d_res_low 2.49
|
| 273 |
+
_reflns_shell.percent_possible_all 100
|
| 274 |
+
_reflns_shell.Rmerge_I_obs 0.368
|
| 275 |
+
_reflns_shell.pdbx_Rsym_value ?
|
| 276 |
+
_reflns_shell.meanI_over_sigI_obs 4.3
|
| 277 |
+
_reflns_shell.pdbx_redundancy 6.78
|
| 278 |
+
_reflns_shell.percent_possible_obs ?
|
| 279 |
+
_reflns_shell.number_unique_all ?
|
| 280 |
+
_reflns_shell.number_measured_all ?
|
| 281 |
+
_reflns_shell.number_measured_obs ?
|
| 282 |
+
_reflns_shell.number_unique_obs ?
|
| 283 |
+
_reflns_shell.pdbx_chi_squared ?
|
| 284 |
+
_reflns_shell.pdbx_diffrn_id ?
|
| 285 |
+
_reflns_shell.pdbx_ordinal 1
|
| 286 |
+
#
|
| 287 |
+
_refine.entry_id 3MIJ
|
| 288 |
+
_refine.ls_number_reflns_obs 1901
|
| 289 |
+
_refine.ls_number_reflns_all ?
|
| 290 |
+
_refine.pdbx_ls_sigma_I ?
|
| 291 |
+
_refine.pdbx_ls_sigma_F ?
|
| 292 |
+
_refine.pdbx_data_cutoff_high_absF ?
|
| 293 |
+
_refine.pdbx_data_cutoff_low_absF ?
|
| 294 |
+
_refine.pdbx_data_cutoff_high_rms_absF ?
|
| 295 |
+
_refine.ls_d_res_low 16.34
|
| 296 |
+
_refine.ls_d_res_high 2.60
|
| 297 |
+
_refine.ls_percent_reflns_obs 99.95
|
| 298 |
+
_refine.ls_R_factor_obs 0.23603
|
| 299 |
+
_refine.ls_R_factor_all ?
|
| 300 |
+
_refine.ls_R_factor_R_work 0.23543
|
| 301 |
+
_refine.ls_R_factor_R_free 0.24752
|
| 302 |
+
_refine.ls_R_factor_R_free_error ?
|
| 303 |
+
_refine.ls_R_factor_R_free_error_details ?
|
| 304 |
+
_refine.ls_percent_reflns_R_free 4.6
|
| 305 |
+
_refine.ls_number_reflns_R_free 91
|
| 306 |
+
_refine.ls_number_parameters ?
|
| 307 |
+
_refine.ls_number_restraints ?
|
| 308 |
+
_refine.occupancy_min ?
|
| 309 |
+
_refine.occupancy_max ?
|
| 310 |
+
_refine.correlation_coeff_Fo_to_Fc 0.942
|
| 311 |
+
_refine.correlation_coeff_Fo_to_Fc_free 0.956
|
| 312 |
+
_refine.B_iso_mean 26.462
|
| 313 |
+
_refine.aniso_B[1][1] ?
|
| 314 |
+
_refine.aniso_B[2][2] ?
|
| 315 |
+
_refine.aniso_B[3][3] ?
|
| 316 |
+
_refine.aniso_B[1][2] ?
|
| 317 |
+
_refine.aniso_B[1][3] ?
|
| 318 |
+
_refine.aniso_B[2][3] ?
|
| 319 |
+
_refine.solvent_model_details MASK
|
| 320 |
+
_refine.solvent_model_param_ksol ?
|
| 321 |
+
_refine.solvent_model_param_bsol ?
|
| 322 |
+
_refine.pdbx_solvent_vdw_probe_radii 1.40
|
| 323 |
+
_refine.pdbx_solvent_ion_probe_radii 0.80
|
| 324 |
+
_refine.pdbx_solvent_shrinkage_radii 0.80
|
| 325 |
+
_refine.pdbx_ls_cross_valid_method THROUGHOUT
|
| 326 |
+
_refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS'
|
| 327 |
+
_refine.pdbx_starting_model 'PDB ID 3IBK'
|
| 328 |
+
_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT'
|
| 329 |
+
_refine.pdbx_isotropic_thermal_model ?
|
| 330 |
+
_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD'
|
| 331 |
+
_refine.pdbx_stereochem_target_val_spec_case ?
|
| 332 |
+
_refine.pdbx_R_Free_selection_details RANDOM
|
| 333 |
+
_refine.pdbx_overall_ESU_R 0.476
|
| 334 |
+
_refine.pdbx_overall_ESU_R_Free 0.274
|
| 335 |
+
_refine.overall_SU_ML 0.227
|
| 336 |
+
_refine.overall_SU_B 21.757
|
| 337 |
+
_refine.ls_redundancy_reflns_obs ?
|
| 338 |
+
_refine.B_iso_min ?
|
| 339 |
+
_refine.B_iso_max ?
|
| 340 |
+
_refine.overall_SU_R_Cruickshank_DPI ?
|
| 341 |
+
_refine.overall_SU_R_free ?
|
| 342 |
+
_refine.ls_wR_factor_R_free ?
|
| 343 |
+
_refine.ls_wR_factor_R_work ?
|
| 344 |
+
_refine.overall_FOM_free_R_set ?
|
| 345 |
+
_refine.overall_FOM_work_R_set ?
|
| 346 |
+
_refine.pdbx_overall_phase_error ?
|
| 347 |
+
_refine.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 348 |
+
_refine.pdbx_diffrn_id 1
|
| 349 |
+
_refine.pdbx_TLS_residual_ADP_flag ?
|
| 350 |
+
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
|
| 351 |
+
_refine.pdbx_overall_SU_R_Blow_DPI ?
|
| 352 |
+
_refine.pdbx_overall_SU_R_free_Blow_DPI ?
|
| 353 |
+
#
|
| 354 |
+
_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 355 |
+
_refine_hist.cycle_id LAST
|
| 356 |
+
_refine_hist.pdbx_number_atoms_protein 0
|
| 357 |
+
_refine_hist.pdbx_number_atoms_nucleic_acid 259
|
| 358 |
+
_refine_hist.pdbx_number_atoms_ligand 58
|
| 359 |
+
_refine_hist.number_atoms_solvent 16
|
| 360 |
+
_refine_hist.number_atoms_total 333
|
| 361 |
+
_refine_hist.d_res_high 2.60
|
| 362 |
+
_refine_hist.d_res_low 16.34
|
| 363 |
+
#
|
| 364 |
+
loop_
|
| 365 |
+
_refine_ls_restr.type
|
| 366 |
+
_refine_ls_restr.dev_ideal
|
| 367 |
+
_refine_ls_restr.dev_ideal_target
|
| 368 |
+
_refine_ls_restr.weight
|
| 369 |
+
_refine_ls_restr.number
|
| 370 |
+
_refine_ls_restr.pdbx_refine_id
|
| 371 |
+
_refine_ls_restr.pdbx_restraint_function
|
| 372 |
+
r_bond_refined_d 0.010 0.021 ? 352 'X-RAY DIFFRACTION' ?
|
| 373 |
+
r_angle_refined_deg 1.018 2.994 ? 538 'X-RAY DIFFRACTION' ?
|
| 374 |
+
r_chiral_restr 0.052 0.200 ? 59 'X-RAY DIFFRACTION' ?
|
| 375 |
+
r_gen_planes_refined 0.008 0.021 ? 186 'X-RAY DIFFRACTION' ?
|
| 376 |
+
r_scbond_it 1.244 3.000 ? 352 'X-RAY DIFFRACTION' ?
|
| 377 |
+
r_scangle_it 2.138 4.500 ? 538 'X-RAY DIFFRACTION' ?
|
| 378 |
+
#
|
| 379 |
+
_refine_ls_shell.pdbx_total_number_of_bins_used 20
|
| 380 |
+
_refine_ls_shell.d_res_high 2.600
|
| 381 |
+
_refine_ls_shell.d_res_low 2.666
|
| 382 |
+
_refine_ls_shell.number_reflns_R_work 142
|
| 383 |
+
_refine_ls_shell.R_factor_R_work 0.497
|
| 384 |
+
_refine_ls_shell.percent_reflns_obs 100.00
|
| 385 |
+
_refine_ls_shell.R_factor_R_free 0.456
|
| 386 |
+
_refine_ls_shell.R_factor_R_free_error ?
|
| 387 |
+
_refine_ls_shell.percent_reflns_R_free ?
|
| 388 |
+
_refine_ls_shell.number_reflns_R_free 2
|
| 389 |
+
_refine_ls_shell.number_reflns_all ?
|
| 390 |
+
_refine_ls_shell.R_factor_all ?
|
| 391 |
+
_refine_ls_shell.number_reflns_obs 142
|
| 392 |
+
_refine_ls_shell.redundancy_reflns_obs ?
|
| 393 |
+
_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
|
| 394 |
+
#
|
| 395 |
+
_struct.entry_id 3MIJ
|
| 396 |
+
_struct.title 'Crystal structure of a telomeric RNA G-quadruplex complexed with an acridine-based ligand.'
|
| 397 |
+
_struct.pdbx_model_details ?
|
| 398 |
+
_struct.pdbx_CASP_flag ?
|
| 399 |
+
_struct.pdbx_model_type_details ?
|
| 400 |
+
#
|
| 401 |
+
_struct_keywords.entry_id 3MIJ
|
| 402 |
+
_struct_keywords.pdbx_keywords RNA
|
| 403 |
+
_struct_keywords.text 'Quadruplex, RNA-ligand complex, RNA, telomeric'
|
| 404 |
+
#
|
| 405 |
+
loop_
|
| 406 |
+
_struct_asym.id
|
| 407 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 408 |
+
_struct_asym.pdbx_modified
|
| 409 |
+
_struct_asym.entity_id
|
| 410 |
+
_struct_asym.details
|
| 411 |
+
A N N 1 ?
|
| 412 |
+
B N N 2 ?
|
| 413 |
+
C N N 2 ?
|
| 414 |
+
D N N 3 ?
|
| 415 |
+
E N N 4 ?
|
| 416 |
+
#
|
| 417 |
+
_struct_biol.id 1
|
| 418 |
+
_struct_biol.details ?
|
| 419 |
+
#
|
| 420 |
+
loop_
|
| 421 |
+
_struct_conn.id
|
| 422 |
+
_struct_conn.conn_type_id
|
| 423 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 424 |
+
_struct_conn.pdbx_PDB_id
|
| 425 |
+
_struct_conn.ptnr1_label_asym_id
|
| 426 |
+
_struct_conn.ptnr1_label_comp_id
|
| 427 |
+
_struct_conn.ptnr1_label_seq_id
|
| 428 |
+
_struct_conn.ptnr1_label_atom_id
|
| 429 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 430 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 431 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 432 |
+
_struct_conn.ptnr1_symmetry
|
| 433 |
+
_struct_conn.ptnr2_label_asym_id
|
| 434 |
+
_struct_conn.ptnr2_label_comp_id
|
| 435 |
+
_struct_conn.ptnr2_label_seq_id
|
| 436 |
+
_struct_conn.ptnr2_label_atom_id
|
| 437 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 438 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 439 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 440 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 441 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 442 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 443 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 444 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 445 |
+
_struct_conn.ptnr2_symmetry
|
| 446 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 447 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 448 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 449 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 450 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 451 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 452 |
+
_struct_conn.details
|
| 453 |
+
_struct_conn.pdbx_dist_value
|
| 454 |
+
_struct_conn.pdbx_value_order
|
| 455 |
+
_struct_conn.pdbx_role
|
| 456 |
+
metalc1 metalc ? ? A G 3 O6 ? ? ? 1_555 C K . K ? ? A G 3 A K 22 1_555 ? ? ? ? ? ? ? 2.623 ? ?
|
| 457 |
+
metalc2 metalc ? ? A G 4 O6 ? ? ? 1_555 B K . K ? ? A G 4 A K 21 1_555 ? ? ? ? ? ? ? 2.775 ? ?
|
| 458 |
+
metalc3 metalc ? ? A G 4 O6 ? ? ? 1_555 C K . K ? ? A G 4 A K 22 1_555 ? ? ? ? ? ? ? 3.334 ? ?
|
| 459 |
+
metalc4 metalc ? ? A G 5 O6 ? ? ? 1_555 B K . K ? ? A G 5 A K 21 1_555 ? ? ? ? ? ? ? 2.701 ? ?
|
| 460 |
+
metalc5 metalc ? ? A G 9 O6 ? ? ? 1_555 C K . K ? ? A G 9 A K 22 1_555 ? ? ? ? ? ? ? 2.635 ? ?
|
| 461 |
+
metalc6 metalc ? ? A G 10 O6 ? ? ? 1_555 B K . K ? ? A G 10 A K 21 1_555 ? ? ? ? ? ? ? 2.727 ? ?
|
| 462 |
+
metalc7 metalc ? ? A G 10 O6 ? ? ? 1_555 C K . K ? ? A G 10 A K 22 1_555 ? ? ? ? ? ? ? 2.982 ? ?
|
| 463 |
+
metalc8 metalc ? ? A G 11 O6 ? ? ? 1_555 B K . K ? ? A G 11 A K 21 1_555 ? ? ? ? ? ? ? 2.813 ? ?
|
| 464 |
+
hydrog1 hydrog ? ? A G 3 N1 ? ? ? 1_555 A G 9 O6 ? ? A G 3 A G 9 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
|
| 465 |
+
hydrog2 hydrog ? ? A G 3 N2 ? ? ? 1_555 A G 9 N7 ? ? A G 3 A G 9 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
|
| 466 |
+
hydrog3 hydrog ? ? A G 4 N1 ? ? ? 1_555 A G 10 O6 ? ? A G 4 A G 10 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
|
| 467 |
+
hydrog4 hydrog ? ? A G 4 N2 ? ? ? 1_555 A G 10 N7 ? ? A G 4 A G 10 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
|
| 468 |
+
hydrog5 hydrog ? ? A G 5 N1 ? ? ? 1_555 A G 11 O6 ? ? A G 5 A G 11 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
|
| 469 |
+
hydrog6 hydrog ? ? A G 5 N2 ? ? ? 1_555 A G 11 N7 ? ? A G 5 A G 11 1_555 ? ? ? ? ? ? TYPE_6_PAIR ? ? ?
|
| 470 |
+
#
|
| 471 |
+
loop_
|
| 472 |
+
_struct_conn_type.id
|
| 473 |
+
_struct_conn_type.criteria
|
| 474 |
+
_struct_conn_type.reference
|
| 475 |
+
metalc ? ?
|
| 476 |
+
hydrog ? ?
|
| 477 |
+
#
|
| 478 |
+
loop_
|
| 479 |
+
_struct_site.id
|
| 480 |
+
_struct_site.pdbx_evidence_code
|
| 481 |
+
_struct_site.pdbx_auth_asym_id
|
| 482 |
+
_struct_site.pdbx_auth_comp_id
|
| 483 |
+
_struct_site.pdbx_auth_seq_id
|
| 484 |
+
_struct_site.pdbx_auth_ins_code
|
| 485 |
+
_struct_site.pdbx_num_residues
|
| 486 |
+
_struct_site.details
|
| 487 |
+
AC1 Software A K 21 ? 10 'BINDING SITE FOR RESIDUE K A 21'
|
| 488 |
+
AC2 Software A K 22 ? 10 'BINDING SITE FOR RESIDUE K A 22'
|
| 489 |
+
AC3 Software A R14 30 ? 12 'BINDING SITE FOR RESIDUE R14 A 30'
|
| 490 |
+
#
|
| 491 |
+
loop_
|
| 492 |
+
_struct_site_gen.id
|
| 493 |
+
_struct_site_gen.site_id
|
| 494 |
+
_struct_site_gen.pdbx_num_res
|
| 495 |
+
_struct_site_gen.label_comp_id
|
| 496 |
+
_struct_site_gen.label_asym_id
|
| 497 |
+
_struct_site_gen.label_seq_id
|
| 498 |
+
_struct_site_gen.pdbx_auth_ins_code
|
| 499 |
+
_struct_site_gen.auth_comp_id
|
| 500 |
+
_struct_site_gen.auth_asym_id
|
| 501 |
+
_struct_site_gen.auth_seq_id
|
| 502 |
+
_struct_site_gen.label_atom_id
|
| 503 |
+
_struct_site_gen.label_alt_id
|
| 504 |
+
_struct_site_gen.symmetry
|
| 505 |
+
_struct_site_gen.details
|
| 506 |
+
1 AC1 10 G A 4 ? G A 4 . ? 4_545 ?
|
| 507 |
+
2 AC1 10 G A 4 ? G A 4 . ? 1_555 ?
|
| 508 |
+
3 AC1 10 G A 5 ? G A 5 . ? 4_545 ?
|
| 509 |
+
4 AC1 10 G A 5 ? G A 5 . ? 1_555 ?
|
| 510 |
+
5 AC1 10 G A 10 ? G A 10 . ? 1_555 ?
|
| 511 |
+
6 AC1 10 G A 10 ? G A 10 . ? 4_545 ?
|
| 512 |
+
7 AC1 10 G A 11 ? G A 11 . ? 4_545 ?
|
| 513 |
+
8 AC1 10 G A 11 ? G A 11 . ? 1_555 ?
|
| 514 |
+
9 AC1 10 K C . ? K A 22 . ? 4_545 ?
|
| 515 |
+
10 AC1 10 K C . ? K A 22 . ? 1_555 ?
|
| 516 |
+
11 AC2 10 G A 3 ? G A 3 . ? 4_545 ?
|
| 517 |
+
12 AC2 10 G A 3 ? G A 3 . ? 1_555 ?
|
| 518 |
+
13 AC2 10 G A 4 ? G A 4 . ? 1_555 ?
|
| 519 |
+
14 AC2 10 G A 4 ? G A 4 . ? 4_545 ?
|
| 520 |
+
15 AC2 10 G A 9 ? G A 9 . ? 4_545 ?
|
| 521 |
+
16 AC2 10 G A 9 ? G A 9 . ? 1_555 ?
|
| 522 |
+
17 AC2 10 G A 10 ? G A 10 . ? 1_555 ?
|
| 523 |
+
18 AC2 10 G A 10 ? G A 10 . ? 4_545 ?
|
| 524 |
+
19 AC2 10 K B . ? K A 21 . ? 4_545 ?
|
| 525 |
+
20 AC2 10 K B . ? K A 21 . ? 1_555 ?
|
| 526 |
+
21 AC3 12 U A 1 ? U A 1 . ? 1_555 ?
|
| 527 |
+
22 AC3 12 U A 1 ? U A 1 . ? 3_655 ?
|
| 528 |
+
23 AC3 12 A A 2 ? A A 2 . ? 1_555 ?
|
| 529 |
+
24 AC3 12 G A 3 ? G A 3 . ? 1_555 ?
|
| 530 |
+
25 AC3 12 U A 6 ? U A 6 . ? 10_555 ?
|
| 531 |
+
26 AC3 12 A A 8 ? A A 8 . ? 1_555 ?
|
| 532 |
+
27 AC3 12 G A 9 ? G A 9 . ? 4_545 ?
|
| 533 |
+
28 AC3 12 G A 10 ? G A 10 . ? 10_555 ?
|
| 534 |
+
29 AC3 12 HOH E . ? HOH A 45 . ? 1_555 ?
|
| 535 |
+
30 AC3 12 HOH E . ? HOH A 48 . ? 1_555 ?
|
| 536 |
+
31 AC3 12 HOH E . ? HOH A 54 . ? 1_555 ?
|
| 537 |
+
32 AC3 12 HOH E . ? HOH A 56 . ? 3_655 ?
|
| 538 |
+
#
|
| 539 |
+
_database_PDB_matrix.entry_id 3MIJ
|
| 540 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 541 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 542 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 543 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 544 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 545 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 546 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 547 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 548 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 549 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 550 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 551 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 552 |
+
#
|
| 553 |
+
_atom_sites.entry_id 3MIJ
|
| 554 |
+
_atom_sites.fract_transf_matrix[1][1] 0.017666
|
| 555 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 556 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 557 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 558 |
+
_atom_sites.fract_transf_matrix[2][2] 0.017666
|
| 559 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 560 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 561 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 562 |
+
_atom_sites.fract_transf_matrix[3][3] 0.017666
|
| 563 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 564 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 565 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 566 |
+
#
|
| 567 |
+
loop_
|
| 568 |
+
_atom_type.symbol
|
| 569 |
+
C
|
| 570 |
+
K
|
| 571 |
+
N
|
| 572 |
+
O
|
| 573 |
+
P
|
| 574 |
+
#
|
| 575 |
+
loop_
|
| 576 |
+
_atom_site.group_PDB
|
| 577 |
+
_atom_site.id
|
| 578 |
+
_atom_site.type_symbol
|
| 579 |
+
_atom_site.label_atom_id
|
| 580 |
+
_atom_site.label_alt_id
|
| 581 |
+
_atom_site.label_comp_id
|
| 582 |
+
_atom_site.label_asym_id
|
| 583 |
+
_atom_site.label_entity_id
|
| 584 |
+
_atom_site.label_seq_id
|
| 585 |
+
_atom_site.pdbx_PDB_ins_code
|
| 586 |
+
_atom_site.Cartn_x
|
| 587 |
+
_atom_site.Cartn_y
|
| 588 |
+
_atom_site.Cartn_z
|
| 589 |
+
_atom_site.occupancy
|
| 590 |
+
_atom_site.B_iso_or_equiv
|
| 591 |
+
_atom_site.pdbx_formal_charge
|
| 592 |
+
_atom_site.auth_seq_id
|
| 593 |
+
_atom_site.auth_comp_id
|
| 594 |
+
_atom_site.auth_asym_id
|
| 595 |
+
_atom_site.auth_atom_id
|
| 596 |
+
_atom_site.pdbx_PDB_model_num
|
| 597 |
+
ATOM 1 O "O5'" . U A 1 1 ? 23.282 -12.992 10.030 1.00 28.59 ? 1 U A "O5'" 1
|
| 598 |
+
ATOM 2 C "C5'" . U A 1 1 ? 24.520 -12.299 9.808 1.00 28.04 ? 1 U A "C5'" 1
|
| 599 |
+
ATOM 3 C "C4'" . U A 1 1 ? 25.113 -12.625 8.434 1.00 27.53 ? 1 U A "C4'" 1
|
| 600 |
+
ATOM 4 O "O4'" . U A 1 1 ? 26.303 -13.455 8.594 1.00 27.05 ? 1 U A "O4'" 1
|
| 601 |
+
ATOM 5 C "C3'" . U A 1 1 ? 24.196 -13.395 7.478 1.00 26.67 ? 1 U A "C3'" 1
|
| 602 |
+
ATOM 6 O "O3'" . U A 1 1 ? 23.463 -12.491 6.654 1.00 25.48 ? 1 U A "O3'" 1
|
| 603 |
+
ATOM 7 C "C2'" . U A 1 1 ? 25.192 -14.239 6.679 1.00 26.80 ? 1 U A "C2'" 1
|
| 604 |
+
ATOM 8 O "O2'" . U A 1 1 ? 25.820 -13.512 5.634 1.00 26.48 ? 1 U A "O2'" 1
|
| 605 |
+
ATOM 9 C "C1'" . U A 1 1 ? 26.206 -14.595 7.752 1.00 26.42 ? 1 U A "C1'" 1
|
| 606 |
+
ATOM 10 N N1 . U A 1 1 ? 25.854 -15.818 8.592 1.00 25.35 ? 1 U A N1 1
|
| 607 |
+
ATOM 11 C C2 . U A 1 1 ? 25.991 -17.085 8.051 1.00 24.86 ? 1 U A C2 1
|
| 608 |
+
ATOM 12 O O2 . U A 1 1 ? 26.365 -17.284 6.904 1.00 24.67 ? 1 U A O2 1
|
| 609 |
+
ATOM 13 N N3 . U A 1 1 ? 25.666 -18.118 8.912 1.00 24.25 ? 1 U A N3 1
|
| 610 |
+
ATOM 14 C C4 . U A 1 1 ? 25.232 -18.006 10.231 1.00 24.29 ? 1 U A C4 1
|
| 611 |
+
ATOM 15 O O4 . U A 1 1 ? 24.982 -19.006 10.890 1.00 23.69 ? 1 U A O4 1
|
| 612 |
+
ATOM 16 C C5 . U A 1 1 ? 25.112 -16.662 10.712 1.00 24.51 ? 1 U A C5 1
|
| 613 |
+
ATOM 17 C C6 . U A 1 1 ? 25.427 -15.647 9.899 1.00 25.19 ? 1 U A C6 1
|
| 614 |
+
ATOM 18 P P . A A 1 2 ? 22.602 -13.026 5.417 1.00 25.90 ? 2 A A P 1
|
| 615 |
+
ATOM 19 O OP1 . A A 1 2 ? 22.267 -11.855 4.576 1.00 26.49 ? 2 A A OP1 1
|
| 616 |
+
ATOM 20 O OP2 . A A 1 2 ? 21.518 -13.885 5.943 1.00 25.62 ? 2 A A OP2 1
|
| 617 |
+
ATOM 21 O "O5'" . A A 1 2 ? 23.655 -13.961 4.637 1.00 24.72 ? 2 A A "O5'" 1
|
| 618 |
+
ATOM 22 C "C5'" . A A 1 2 ? 23.513 -14.250 3.256 1.00 23.35 ? 2 A A "C5'" 1
|
| 619 |
+
ATOM 23 C "C4'" . A A 1 2 ? 23.039 -15.674 3.055 1.00 21.42 ? 2 A A "C4'" 1
|
| 620 |
+
ATOM 24 O "O4'" . A A 1 2 ? 23.384 -16.471 4.215 1.00 20.90 ? 2 A A "O4'" 1
|
| 621 |
+
ATOM 25 C "C3'" . A A 1 2 ? 21.524 -15.817 2.869 1.00 21.03 ? 2 A A "C3'" 1
|
| 622 |
+
ATOM 26 O "O3'" . A A 1 2 ? 21.239 -16.641 1.765 1.00 19.71 ? 2 A A "O3'" 1
|
| 623 |
+
ATOM 27 C "C2'" . A A 1 2 ? 21.067 -16.502 4.148 1.00 21.30 ? 2 A A "C2'" 1
|
| 624 |
+
ATOM 28 O "O2'" . A A 1 2 ? 19.948 -17.352 3.934 1.00 22.15 ? 2 A A "O2'" 1
|
| 625 |
+
ATOM 29 C "C1'" . A A 1 2 ? 22.304 -17.316 4.506 1.00 20.21 ? 2 A A "C1'" 1
|
| 626 |
+
ATOM 30 N N9 . A A 1 2 ? 22.348 -17.692 5.914 1.00 19.58 ? 2 A A N9 1
|
| 627 |
+
ATOM 31 C C8 . A A 1 2 ? 22.138 -16.878 6.991 1.00 19.09 ? 2 A A C8 1
|
| 628 |
+
ATOM 32 N N7 . A A 1 2 ? 22.222 -17.494 8.141 1.00 18.94 ? 2 A A N7 1
|
| 629 |
+
ATOM 33 C C5 . A A 1 2 ? 22.492 -18.808 7.798 1.00 18.81 ? 2 A A C5 1
|
| 630 |
+
ATOM 34 C C6 . A A 1 2 ? 22.692 -19.978 8.567 1.00 18.15 ? 2 A A C6 1
|
| 631 |
+
ATOM 35 N N6 . A A 1 2 ? 22.647 -20.002 9.898 1.00 18.86 ? 2 A A N6 1
|
| 632 |
+
ATOM 36 N N1 . A A 1 2 ? 22.942 -21.126 7.916 1.00 17.60 ? 2 A A N1 1
|
| 633 |
+
ATOM 37 C C2 . A A 1 2 ? 23.010 -21.107 6.584 1.00 18.58 ? 2 A A C2 1
|
| 634 |
+
ATOM 38 N N3 . A A 1 2 ? 22.830 -20.081 5.749 1.00 19.82 ? 2 A A N3 1
|
| 635 |
+
ATOM 39 C C4 . A A 1 2 ? 22.569 -18.947 6.428 1.00 19.55 ? 2 A A C4 1
|
| 636 |
+
ATOM 40 P P . G A 1 3 ? 21.399 -16.104 0.287 1.00 17.68 ? 3 G A P 1
|
| 637 |
+
ATOM 41 O OP1 . G A 1 3 ? 22.777 -15.595 0.125 1.00 16.26 ? 3 G A OP1 1
|
| 638 |
+
ATOM 42 O OP2 . G A 1 3 ? 20.234 -15.254 -0.005 1.00 17.22 ? 3 G A OP2 1
|
| 639 |
+
ATOM 43 O "O5'" . G A 1 3 ? 21.290 -17.443 -0.541 1.00 16.73 ? 3 G A "O5'" 1
|
| 640 |
+
ATOM 44 C "C5'" . G A 1 3 ? 22.365 -18.324 -0.496 1.00 16.54 ? 3 G A "C5'" 1
|
| 641 |
+
ATOM 45 C "C4'" . G A 1 3 ? 22.880 -18.590 -1.880 1.00 16.39 ? 3 G A "C4'" 1
|
| 642 |
+
ATOM 46 O "O4'" . G A 1 3 ? 24.056 -19.417 -1.757 1.00 16.65 ? 3 G A "O4'" 1
|
| 643 |
+
ATOM 47 C "C3'" . G A 1 3 ? 21.922 -19.373 -2.775 1.00 16.62 ? 3 G A "C3'" 1
|
| 644 |
+
ATOM 48 O "O3'" . G A 1 3 ? 21.164 -18.499 -3.575 1.00 16.56 ? 3 G A "O3'" 1
|
| 645 |
+
ATOM 49 C "C2'" . G A 1 3 ? 22.879 -20.181 -3.626 1.00 17.41 ? 3 G A "C2'" 1
|
| 646 |
+
ATOM 50 O "O2'" . G A 1 3 ? 23.471 -19.396 -4.653 1.00 17.36 ? 3 G A "O2'" 1
|
| 647 |
+
ATOM 51 C "C1'" . G A 1 3 ? 23.925 -20.550 -2.589 1.00 16.73 ? 3 G A "C1'" 1
|
| 648 |
+
ATOM 52 N N9 . G A 1 3 ? 23.609 -21.709 -1.748 1.00 16.11 ? 3 G A N9 1
|
| 649 |
+
ATOM 53 C C8 . G A 1 3 ? 23.438 -21.704 -0.388 1.00 16.27 ? 3 G A C8 1
|
| 650 |
+
ATOM 54 N N7 . G A 1 3 ? 23.194 -22.887 0.114 1.00 15.73 ? 3 G A N7 1
|
| 651 |
+
ATOM 55 C C5 . G A 1 3 ? 23.224 -23.727 -0.977 1.00 15.83 ? 3 G A C5 1
|
| 652 |
+
ATOM 56 C C6 . G A 1 3 ? 23.038 -25.118 -1.041 1.00 17.46 ? 3 G A C6 1
|
| 653 |
+
ATOM 57 O O6 . G A 1 3 ? 22.782 -25.908 -0.113 1.00 18.98 ? 3 G A O6 1
|
| 654 |
+
ATOM 58 N N1 . G A 1 3 ? 23.146 -25.606 -2.334 1.00 17.53 ? 3 G A N1 1
|
| 655 |
+
ATOM 59 C C2 . G A 1 3 ? 23.395 -24.840 -3.434 1.00 17.10 ? 3 G A C2 1
|
| 656 |
+
ATOM 60 N N2 . G A 1 3 ? 23.461 -25.501 -4.594 1.00 16.08 ? 3 G A N2 1
|
| 657 |
+
ATOM 61 N N3 . G A 1 3 ? 23.582 -23.521 -3.395 1.00 17.08 ? 3 G A N3 1
|
| 658 |
+
ATOM 62 C C4 . G A 1 3 ? 23.480 -23.031 -2.134 1.00 16.23 ? 3 G A C4 1
|
| 659 |
+
ATOM 63 P P . G A 1 4 ? 19.591 -18.728 -3.757 1.00 19.23 ? 4 G A P 1
|
| 660 |
+
ATOM 64 O OP1 . G A 1 4 ? 19.019 -17.471 -4.281 1.00 19.27 ? 4 G A OP1 1
|
| 661 |
+
ATOM 65 O OP2 . G A 1 4 ? 19.035 -19.314 -2.510 1.00 17.43 ? 4 G A OP2 1
|
| 662 |
+
ATOM 66 O "O5'" . G A 1 4 ? 19.529 -19.836 -4.897 1.00 19.42 ? 4 G A "O5'" 1
|
| 663 |
+
ATOM 67 C "C5'" . G A 1 4 ? 20.131 -19.594 -6.147 1.00 19.67 ? 4 G A "C5'" 1
|
| 664 |
+
ATOM 68 C "C4'" . G A 1 4 ? 20.182 -20.869 -6.960 1.00 19.48 ? 4 G A "C4'" 1
|
| 665 |
+
ATOM 69 O "O4'" . G A 1 4 ? 21.081 -21.802 -6.332 1.00 20.10 ? 4 G A "O4'" 1
|
| 666 |
+
ATOM 70 C "C3'" . G A 1 4 ? 18.885 -21.633 -7.042 1.00 18.85 ? 4 G A "C3'" 1
|
| 667 |
+
ATOM 71 O "O3'" . G A 1 4 ? 18.107 -21.107 -8.060 1.00 18.90 ? 4 G A "O3'" 1
|
| 668 |
+
ATOM 72 C "C2'" . G A 1 4 ? 19.400 -23.018 -7.400 1.00 19.36 ? 4 G A "C2'" 1
|
| 669 |
+
ATOM 73 O "O2'" . G A 1 4 ? 19.842 -23.101 -8.737 1.00 20.00 ? 4 G A "O2'" 1
|
| 670 |
+
ATOM 74 C "C1'" . G A 1 4 ? 20.595 -23.121 -6.492 1.00 18.71 ? 4 G A "C1'" 1
|
| 671 |
+
ATOM 75 N N9 . G A 1 4 ? 20.304 -23.661 -5.175 1.00 18.83 ? 4 G A N9 1
|
| 672 |
+
ATOM 76 C C8 . G A 1 4 ? 20.158 -22.947 -4.010 1.00 19.60 ? 4 G A C8 1
|
| 673 |
+
ATOM 77 N N7 . G A 1 4 ? 19.921 -23.694 -2.966 1.00 19.31 ? 4 G A N7 1
|
| 674 |
+
ATOM 78 C C5 . G A 1 4 ? 19.919 -24.979 -3.473 1.00 18.49 ? 4 G A C5 1
|
| 675 |
+
ATOM 79 C C6 . G A 1 4 ? 19.722 -26.193 -2.811 1.00 19.02 ? 4 G A C6 1
|
| 676 |
+
ATOM 80 O O6 . G A 1 4 ? 19.515 -26.379 -1.598 1.00 20.70 ? 4 G A O6 1
|
| 677 |
+
ATOM 81 N N1 . G A 1 4 ? 19.786 -27.279 -3.672 1.00 18.35 ? 4 G A N1 1
|
| 678 |
+
ATOM 82 C C2 . G A 1 4 ? 20.032 -27.194 -5.017 1.00 17.86 ? 4 G A C2 1
|
| 679 |
+
ATOM 83 N N2 . G A 1 4 ? 20.072 -28.350 -5.686 1.00 16.52 ? 4 G A N2 1
|
| 680 |
+
ATOM 84 N N3 . G A 1 4 ? 20.227 -26.052 -5.659 1.00 18.61 ? 4 G A N3 1
|
| 681 |
+
ATOM 85 C C4 . G A 1 4 ? 20.152 -24.984 -4.824 1.00 18.51 ? 4 G A C4 1
|
| 682 |
+
ATOM 86 P P . G A 1 5 ? 16.558 -21.451 -8.131 1.00 19.53 ? 5 G A P 1
|
| 683 |
+
ATOM 87 O OP1 . G A 1 5 ? 16.004 -20.796 -9.328 1.00 20.75 ? 5 G A OP1 1
|
| 684 |
+
ATOM 88 O OP2 . G A 1 5 ? 15.956 -21.185 -6.803 1.00 18.72 ? 5 G A OP2 1
|
| 685 |
+
ATOM 89 O "O5'" . G A 1 5 ? 16.569 -23.017 -8.381 1.00 19.43 ? 5 G A "O5'" 1
|
| 686 |
+
ATOM 90 C "C5'" . G A 1 5 ? 16.790 -23.549 -9.682 1.00 20.88 ? 5 G A "C5'" 1
|
| 687 |
+
ATOM 91 C "C4'" . G A 1 5 ? 16.433 -25.025 -9.686 1.00 21.33 ? 5 G A "C4'" 1
|
| 688 |
+
ATOM 92 O "O4'" . G A 1 5 ? 16.994 -25.628 -8.488 1.00 21.41 ? 5 G A "O4'" 1
|
| 689 |
+
ATOM 93 C "C3'" . G A 1 5 ? 14.926 -25.307 -9.617 1.00 21.63 ? 5 G A "C3'" 1
|
| 690 |
+
ATOM 94 O "O3'" . G A 1 5 ? 14.609 -26.527 -10.240 1.00 21.73 ? 5 G A "O3'" 1
|
| 691 |
+
ATOM 95 C "C2'" . G A 1 5 ? 14.695 -25.418 -8.131 1.00 21.75 ? 5 G A "C2'" 1
|
| 692 |
+
ATOM 96 O "O2'" . G A 1 5 ? 13.550 -26.176 -7.817 1.00 23.29 ? 5 G A "O2'" 1
|
| 693 |
+
ATOM 97 C "C1'" . G A 1 5 ? 15.943 -26.184 -7.729 1.00 21.57 ? 5 G A "C1'" 1
|
| 694 |
+
ATOM 98 N N9 . G A 1 5 ? 16.191 -26.095 -6.294 1.00 21.45 ? 5 G A N9 1
|
| 695 |
+
ATOM 99 C C8 . G A 1 5 ? 16.227 -24.962 -5.518 1.00 21.43 ? 5 G A C8 1
|
| 696 |
+
ATOM 100 N N7 . G A 1 5 ? 16.391 -25.212 -4.250 1.00 21.47 ? 5 G A N7 1
|
| 697 |
+
ATOM 101 C C5 . G A 1 5 ? 16.450 -26.594 -4.182 1.00 21.27 ? 5 G A C5 1
|
| 698 |
+
ATOM 102 C C6 . G A 1 5 ? 16.610 -27.445 -3.068 1.00 21.60 ? 5 G A C6 1
|
| 699 |
+
ATOM 103 O O6 . G A 1 5 ? 16.755 -27.133 -1.872 1.00 22.27 ? 5 G A O6 1
|
| 700 |
+
ATOM 104 N N1 . G A 1 5 ? 16.604 -28.790 -3.433 1.00 21.04 ? 5 G A N1 1
|
| 701 |
+
ATOM 105 C C2 . G A 1 5 ? 16.456 -29.246 -4.723 1.00 21.13 ? 5 G A C2 1
|
| 702 |
+
ATOM 106 N N2 . G A 1 5 ? 16.469 -30.573 -4.900 1.00 20.87 ? 5 G A N2 1
|
| 703 |
+
ATOM 107 N N3 . G A 1 5 ? 16.303 -28.456 -5.771 1.00 20.88 ? 5 G A N3 1
|
| 704 |
+
ATOM 108 C C4 . G A 1 5 ? 16.311 -27.149 -5.427 1.00 21.11 ? 5 G A C4 1
|
| 705 |
+
ATOM 109 P P . U A 1 6 ? 14.006 -26.536 -11.706 1.00 22.10 ? 6 U A P 1
|
| 706 |
+
ATOM 110 O OP1 . U A 1 6 ? 13.566 -25.161 -12.042 1.00 21.76 ? 6 U A OP1 1
|
| 707 |
+
ATOM 111 O OP2 . U A 1 6 ? 13.056 -27.661 -11.797 1.00 22.66 ? 6 U A OP2 1
|
| 708 |
+
ATOM 112 O "O5'" . U A 1 6 ? 15.291 -26.908 -12.564 1.00 22.91 ? 6 U A "O5'" 1
|
| 709 |
+
ATOM 113 C "C5'" . U A 1 6 ? 15.169 -27.480 -13.862 1.00 25.21 ? 6 U A "C5'" 1
|
| 710 |
+
ATOM 114 C "C4'" . U A 1 6 ? 16.008 -26.695 -14.857 1.00 26.21 ? 6 U A "C4'" 1
|
| 711 |
+
ATOM 115 O "O4'" . U A 1 6 ? 15.243 -26.470 -16.070 1.00 26.16 ? 6 U A "O4'" 1
|
| 712 |
+
ATOM 116 C "C3'" . U A 1 6 ? 16.415 -25.326 -14.334 1.00 27.40 ? 6 U A "C3'" 1
|
| 713 |
+
ATOM 117 O "O3'" . U A 1 6 ? 17.742 -25.025 -14.634 1.00 27.47 ? 6 U A "O3'" 1
|
| 714 |
+
ATOM 118 C "C2'" . U A 1 6 ? 15.439 -24.350 -14.992 1.00 27.63 ? 6 U A "C2'" 1
|
| 715 |
+
ATOM 119 O "O2'" . U A 1 6 ? 16.016 -23.100 -15.349 1.00 28.75 ? 6 U A "O2'" 1
|
| 716 |
+
ATOM 120 C "C1'" . U A 1 6 ? 14.949 -25.095 -16.229 1.00 26.41 ? 6 U A "C1'" 1
|
| 717 |
+
ATOM 121 N N1 . U A 1 6 ? 13.501 -24.910 -16.356 1.00 24.85 ? 6 U A N1 1
|
| 718 |
+
ATOM 122 C C2 . U A 1 6 ? 12.931 -24.786 -17.596 1.00 23.69 ? 6 U A C2 1
|
| 719 |
+
ATOM 123 O O2 . U A 1 6 ? 13.557 -24.877 -18.635 1.00 22.81 ? 6 U A O2 1
|
| 720 |
+
ATOM 124 N N3 . U A 1 6 ? 11.579 -24.570 -17.568 1.00 23.60 ? 6 U A N3 1
|
| 721 |
+
ATOM 125 C C4 . U A 1 6 ? 10.773 -24.452 -16.445 1.00 24.02 ? 6 U A C4 1
|
| 722 |
+
ATOM 126 O O4 . U A 1 6 ? 9.576 -24.261 -16.570 1.00 25.51 ? 6 U A O4 1
|
| 723 |
+
ATOM 127 C C5 . U A 1 6 ? 11.448 -24.576 -15.194 1.00 23.81 ? 6 U A C5 1
|
| 724 |
+
ATOM 128 C C6 . U A 1 6 ? 12.757 -24.784 -15.197 1.00 24.45 ? 6 U A C6 1
|
| 725 |
+
ATOM 129 P P . U A 1 7 ? 18.389 -23.734 -13.954 1.00 27.78 ? 7 U A P 1
|
| 726 |
+
ATOM 130 O OP1 . U A 1 7 ? 19.585 -24.192 -13.214 1.00 29.02 ? 7 U A OP1 1
|
| 727 |
+
ATOM 131 O OP2 . U A 1 7 ? 17.339 -22.965 -13.232 1.00 26.84 ? 7 U A OP2 1
|
| 728 |
+
ATOM 132 O "O5'" . U A 1 7 ? 18.801 -22.882 -15.239 1.00 26.40 ? 7 U A "O5'" 1
|
| 729 |
+
ATOM 133 C "C5'" . U A 1 7 ? 20.112 -22.940 -15.749 1.00 25.69 ? 7 U A "C5'" 1
|
| 730 |
+
ATOM 134 C "C4'" . U A 1 7 ? 20.627 -21.540 -15.991 1.00 25.06 ? 7 U A "C4'" 1
|
| 731 |
+
ATOM 135 O "O4'" . U A 1 7 ? 19.803 -20.591 -15.261 1.00 26.29 ? 7 U A "O4'" 1
|
| 732 |
+
ATOM 136 C "C3'" . U A 1 7 ? 22.030 -21.266 -15.498 1.00 23.77 ? 7 U A "C3'" 1
|
| 733 |
+
ATOM 137 O "O3'" . U A 1 7 ? 22.988 -21.744 -16.443 1.00 21.71 ? 7 U A "O3'" 1
|
| 734 |
+
ATOM 138 C "C2'" . U A 1 7 ? 22.003 -19.731 -15.430 1.00 25.59 ? 7 U A "C2'" 1
|
| 735 |
+
ATOM 139 O "O2'" . U A 1 7 ? 22.195 -19.110 -16.694 1.00 25.12 ? 7 U A "O2'" 1
|
| 736 |
+
ATOM 140 C "C1'" . U A 1 7 ? 20.576 -19.447 -14.943 1.00 26.71 ? 7 U A "C1'" 1
|
| 737 |
+
ATOM 141 N N1 . U A 1 7 ? 20.464 -19.129 -13.447 1.00 28.57 ? 7 U A N1 1
|
| 738 |
+
ATOM 142 C C2 . U A 1 7 ? 20.613 -17.812 -13.018 1.00 29.00 ? 7 U A C2 1
|
| 739 |
+
ATOM 143 O O2 . U A 1 7 ? 20.831 -16.881 -13.780 1.00 29.82 ? 7 U A O2 1
|
| 740 |
+
ATOM 144 N N3 . U A 1 7 ? 20.499 -17.623 -11.650 1.00 28.75 ? 7 U A N3 1
|
| 741 |
+
ATOM 145 C C4 . U A 1 7 ? 20.259 -18.593 -10.683 1.00 28.53 ? 7 U A C4 1
|
| 742 |
+
ATOM 146 O O4 . U A 1 7 ? 20.184 -18.272 -9.500 1.00 27.58 ? 7 U A O4 1
|
| 743 |
+
ATOM 147 C C5 . U A 1 7 ? 20.118 -19.940 -11.198 1.00 28.94 ? 7 U A C5 1
|
| 744 |
+
ATOM 148 C C6 . U A 1 7 ? 20.220 -20.152 -12.528 1.00 29.32 ? 7 U A C6 1
|
| 745 |
+
ATOM 149 P P . A A 1 8 ? 23.688 -23.185 -16.301 1.00 20.82 ? 8 A A P 1
|
| 746 |
+
ATOM 150 O OP1 . A A 1 8 ? 24.886 -23.204 -17.164 1.00 20.77 ? 8 A A OP1 1
|
| 747 |
+
ATOM 151 O OP2 . A A 1 8 ? 22.657 -24.233 -16.467 1.00 20.99 ? 8 A A OP2 1
|
| 748 |
+
ATOM 152 O "O5'" . A A 1 8 ? 24.174 -23.213 -14.790 1.00 20.78 ? 8 A A "O5'" 1
|
| 749 |
+
ATOM 153 C "C5'" . A A 1 8 ? 25.049 -24.268 -14.333 1.00 19.03 ? 8 A A "C5'" 1
|
| 750 |
+
ATOM 154 C "C4'" . A A 1 8 ? 24.650 -24.772 -12.941 1.00 16.53 ? 8 A A "C4'" 1
|
| 751 |
+
ATOM 155 O "O4'" . A A 1 8 ? 24.944 -23.771 -11.928 1.00 14.87 ? 8 A A "O4'" 1
|
| 752 |
+
ATOM 156 C "C3'" . A A 1 8 ? 23.180 -25.126 -12.765 1.00 15.15 ? 8 A A "C3'" 1
|
| 753 |
+
ATOM 157 O "O3'" . A A 1 8 ? 23.068 -26.274 -11.964 1.00 17.52 ? 8 A A "O3'" 1
|
| 754 |
+
ATOM 158 C "C2'" . A A 1 8 ? 22.662 -23.911 -12.025 1.00 14.15 ? 8 A A "C2'" 1
|
| 755 |
+
ATOM 159 O "O2'" . A A 1 8 ? 21.503 -24.189 -11.278 1.00 14.10 ? 8 A A "O2'" 1
|
| 756 |
+
ATOM 160 C "C1'" . A A 1 8 ? 23.833 -23.630 -11.108 1.00 14.08 ? 8 A A "C1'" 1
|
| 757 |
+
ATOM 161 N N9 . A A 1 8 ? 23.829 -22.286 -10.588 1.00 15.09 ? 8 A A N9 1
|
| 758 |
+
ATOM 162 C C8 . A A 1 8 ? 23.811 -21.141 -11.308 1.00 15.72 ? 8 A A C8 1
|
| 759 |
+
ATOM 163 N N7 . A A 1 8 ? 23.786 -20.058 -10.573 1.00 16.80 ? 8 A A N7 1
|
| 760 |
+
ATOM 164 C C5 . A A 1 8 ? 23.794 -20.525 -9.280 1.00 15.84 ? 8 A A C5 1
|
| 761 |
+
ATOM 165 C C6 . A A 1 8 ? 23.779 -19.870 -8.034 1.00 16.35 ? 8 A A C6 1
|
| 762 |
+
ATOM 166 N N6 . A A 1 8 ? 23.752 -18.542 -7.896 1.00 15.72 ? 8 A A N6 1
|
| 763 |
+
ATOM 167 N N1 . A A 1 8 ? 23.786 -20.631 -6.930 1.00 16.71 ? 8 A A N1 1
|
| 764 |
+
ATOM 168 C C2 . A A 1 8 ? 23.809 -21.960 -7.069 1.00 17.38 ? 8 A A C2 1
|
| 765 |
+
ATOM 169 N N3 . A A 1 8 ? 23.830 -22.690 -8.185 1.00 17.56 ? 8 A A N3 1
|
| 766 |
+
ATOM 170 C C4 . A A 1 8 ? 23.819 -21.900 -9.268 1.00 16.22 ? 8 A A C4 1
|
| 767 |
+
ATOM 171 P P . G A 1 9 ? 23.294 -27.757 -12.555 1.00 19.72 ? 9 G A P 1
|
| 768 |
+
ATOM 172 O OP1 . G A 1 9 ? 24.566 -27.808 -13.318 1.00 18.24 ? 9 G A OP1 1
|
| 769 |
+
ATOM 173 O OP2 . G A 1 9 ? 22.028 -28.192 -13.179 1.00 19.32 ? 9 G A OP2 1
|
| 770 |
+
ATOM 174 O "O5'" . G A 1 9 ? 23.527 -28.601 -11.225 1.00 20.67 ? 9 G A "O5'" 1
|
| 771 |
+
ATOM 175 C "C5'" . G A 1 9 ? 22.434 -29.021 -10.418 1.00 19.98 ? 9 G A "C5'" 1
|
| 772 |
+
ATOM 176 C "C4'" . G A 1 9 ? 22.791 -30.358 -9.801 1.00 18.68 ? 9 G A "C4'" 1
|
| 773 |
+
ATOM 177 O "O4'" . G A 1 9 ? 23.859 -30.158 -8.853 1.00 17.56 ? 9 G A "O4'" 1
|
| 774 |
+
ATOM 178 C "C3'" . G A 1 9 ? 21.688 -31.038 -9.016 1.00 18.34 ? 9 G A "C3'" 1
|
| 775 |
+
ATOM 179 O "O3'" . G A 1 9 ? 20.925 -31.842 -9.886 1.00 17.60 ? 9 G A "O3'" 1
|
| 776 |
+
ATOM 180 C "C2'" . G A 1 9 ? 22.509 -31.909 -8.094 1.00 17.79 ? 9 G A "C2'" 1
|
| 777 |
+
ATOM 181 O "O2'" . G A 1 9 ? 23.047 -33.003 -8.804 1.00 19.64 ? 9 G A "O2'" 1
|
| 778 |
+
ATOM 182 C "C1'" . G A 1 9 ? 23.644 -30.979 -7.729 1.00 16.23 ? 9 G A "C1'" 1
|
| 779 |
+
ATOM 183 N N9 . G A 1 9 ? 23.453 -30.131 -6.548 1.00 14.16 ? 9 G A N9 1
|
| 780 |
+
ATOM 184 C C8 . G A 1 9 ? 23.468 -28.763 -6.511 1.00 14.59 ? 9 G A C8 1
|
| 781 |
+
ATOM 185 N N7 . G A 1 9 ? 23.328 -28.266 -5.308 1.00 12.83 ? 9 G A N7 1
|
| 782 |
+
ATOM 186 C C5 . G A 1 9 ? 23.255 -29.371 -4.498 1.00 11.61 ? 9 G A C5 1
|
| 783 |
+
ATOM 187 C C6 . G A 1 9 ? 23.103 -29.451 -3.112 1.00 11.21 ? 9 G A C6 1
|
| 784 |
+
ATOM 188 O O6 . G A 1 9 ? 22.997 -28.526 -2.293 1.00 10.50 ? 9 G A O6 1
|
| 785 |
+
ATOM 189 N N1 . G A 1 9 ? 23.046 -30.754 -2.670 1.00 11.84 ? 9 G A N1 1
|
| 786 |
+
ATOM 190 C C2 . G A 1 9 ? 23.146 -31.858 -3.471 1.00 14.31 ? 9 G A C2 1
|
| 787 |
+
ATOM 191 N N2 . G A 1 9 ? 23.083 -33.053 -2.857 1.00 15.37 ? 9 G A N2 1
|
| 788 |
+
ATOM 192 N N3 . G A 1 9 ? 23.298 -31.802 -4.786 1.00 14.60 ? 9 G A N3 1
|
| 789 |
+
ATOM 193 C C4 . G A 1 9 ? 23.335 -30.527 -5.234 1.00 13.51 ? 9 G A C4 1
|
| 790 |
+
ATOM 194 P P . G A 1 10 ? 19.355 -32.007 -9.668 1.00 18.12 ? 10 G A P 1
|
| 791 |
+
ATOM 195 O OP1 . G A 1 10 ? 18.799 -32.627 -10.891 1.00 16.20 ? 10 G A OP1 1
|
| 792 |
+
ATOM 196 O OP2 . G A 1 10 ? 18.836 -30.722 -9.164 1.00 17.24 ? 10 G A OP2 1
|
| 793 |
+
ATOM 197 O "O5'" . G A 1 10 ? 19.258 -33.056 -8.484 1.00 19.36 ? 10 G A "O5'" 1
|
| 794 |
+
ATOM 198 C "C5'" . G A 1 10 ? 19.675 -34.404 -8.693 1.00 21.23 ? 10 G A "C5'" 1
|
| 795 |
+
ATOM 199 C "C4'" . G A 1 10 ? 19.621 -35.189 -7.396 1.00 21.02 ? 10 G A "C4'" 1
|
| 796 |
+
ATOM 200 O "O4'" . G A 1 10 ? 20.527 -34.608 -6.448 1.00 21.18 ? 10 G A "O4'" 1
|
| 797 |
+
ATOM 201 C "C3'" . G A 1 10 ? 18.296 -35.141 -6.688 1.00 21.05 ? 10 G A "C3'" 1
|
| 798 |
+
ATOM 202 O "O3'" . G A 1 10 ? 17.468 -36.106 -7.242 1.00 20.16 ? 10 G A "O3'" 1
|
| 799 |
+
ATOM 203 C "C2'" . G A 1 10 ? 18.700 -35.491 -5.264 1.00 21.96 ? 10 G A "C2'" 1
|
| 800 |
+
ATOM 204 O "O2'" . G A 1 10 ? 18.947 -36.881 -5.106 1.00 23.78 ? 10 G A "O2'" 1
|
| 801 |
+
ATOM 205 C "C1'" . G A 1 10 ? 20.006 -34.737 -5.141 1.00 20.87 ? 10 G A "C1'" 1
|
| 802 |
+
ATOM 206 N N9 . G A 1 10 ? 19.924 -33.409 -4.557 1.00 20.29 ? 10 G A N9 1
|
| 803 |
+
ATOM 207 C C8 . G A 1 10 ? 19.949 -32.214 -5.231 1.00 20.50 ? 10 G A C8 1
|
| 804 |
+
ATOM 208 N N7 . G A 1 10 ? 19.916 -31.174 -4.443 1.00 20.73 ? 10 G A N7 1
|
| 805 |
+
ATOM 209 C C5 . G A 1 10 ? 19.880 -31.719 -3.170 1.00 20.41 ? 10 G A C5 1
|
| 806 |
+
ATOM 210 C C6 . G A 1 10 ? 19.820 -31.084 -1.920 1.00 21.70 ? 10 G A C6 1
|
| 807 |
+
ATOM 211 O O6 . G A 1 10 ? 19.802 -29.859 -1.672 1.00 22.53 ? 10 G A O6 1
|
| 808 |
+
ATOM 212 N N1 . G A 1 10 ? 19.782 -31.990 -0.871 1.00 21.70 ? 10 G A N1 1
|
| 809 |
+
ATOM 213 C C2 . G A 1 10 ? 19.806 -33.348 -1.019 1.00 21.66 ? 10 G A C2 1
|
| 810 |
+
ATOM 214 N N2 . G A 1 10 ? 19.770 -34.063 0.108 1.00 21.54 ? 10 G A N2 1
|
| 811 |
+
ATOM 215 N N3 . G A 1 10 ? 19.860 -33.965 -2.190 1.00 21.59 ? 10 G A N3 1
|
| 812 |
+
ATOM 216 C C4 . G A 1 10 ? 19.893 -33.088 -3.220 1.00 20.45 ? 10 G A C4 1
|
| 813 |
+
ATOM 217 P P . G A 1 11 ? 15.897 -35.926 -7.174 1.00 19.82 ? 11 G A P 1
|
| 814 |
+
ATOM 218 O OP1 . G A 1 11 ? 15.324 -36.914 -8.120 1.00 19.93 ? 11 G A OP1 1
|
| 815 |
+
ATOM 219 O OP2 . G A 1 11 ? 15.549 -34.490 -7.305 1.00 18.89 ? 11 G A OP2 1
|
| 816 |
+
ATOM 220 O "O5'" . G A 1 11 ? 15.584 -36.325 -5.660 1.00 20.00 ? 11 G A "O5'" 1
|
| 817 |
+
ATOM 221 C "C5'" . G A 1 11 ? 15.806 -37.636 -5.169 1.00 20.56 ? 11 G A "C5'" 1
|
| 818 |
+
ATOM 222 C "C4'" . G A 1 11 ? 15.469 -37.670 -3.693 1.00 21.60 ? 11 G A "C4'" 1
|
| 819 |
+
ATOM 223 O "O4'" . G A 1 11 ? 16.514 -36.992 -2.943 1.00 21.19 ? 11 G A "O4'" 1
|
| 820 |
+
ATOM 224 C "C3'" . G A 1 11 ? 14.208 -36.910 -3.311 1.00 22.63 ? 11 G A "C3'" 1
|
| 821 |
+
ATOM 225 O "O3'" . G A 1 11 ? 13.026 -37.678 -3.561 1.00 24.04 ? 11 G A "O3'" 1
|
| 822 |
+
ATOM 226 C "C2'" . G A 1 11 ? 14.455 -36.661 -1.826 1.00 22.40 ? 11 G A "C2'" 1
|
| 823 |
+
ATOM 227 O "O2'" . G A 1 11 ? 14.206 -37.797 -1.017 1.00 22.86 ? 11 G A "O2'" 1
|
| 824 |
+
ATOM 228 C "C1'" . G A 1 11 ? 15.942 -36.314 -1.833 1.00 21.22 ? 11 G A "C1'" 1
|
| 825 |
+
ATOM 229 N N9 . G A 1 11 ? 16.174 -34.879 -1.976 1.00 20.52 ? 11 G A N9 1
|
| 826 |
+
ATOM 230 C C8 . G A 1 11 ? 16.254 -34.165 -3.142 1.00 20.30 ? 11 G A C8 1
|
| 827 |
+
ATOM 231 N N7 . G A 1 11 ? 16.450 -32.886 -2.956 1.00 19.99 ? 11 G A N7 1
|
| 828 |
+
ATOM 232 C C5 . G A 1 11 ? 16.496 -32.740 -1.585 1.00 19.36 ? 11 G A C5 1
|
| 829 |
+
ATOM 233 C C6 . G A 1 11 ? 16.677 -31.578 -0.799 1.00 19.73 ? 11 G A C6 1
|
| 830 |
+
ATOM 234 O O6 . G A 1 11 ? 16.857 -30.402 -1.179 1.00 20.02 ? 11 G A O6 1
|
| 831 |
+
ATOM 235 N N1 . G A 1 11 ? 16.655 -31.862 0.565 1.00 18.79 ? 11 G A N1 1
|
| 832 |
+
ATOM 236 C C2 . G A 1 11 ? 16.473 -33.118 1.100 1.00 18.93 ? 11 G A C2 1
|
| 833 |
+
ATOM 237 N N2 . G A 1 11 ? 16.477 -33.205 2.439 1.00 17.21 ? 11 G A N2 1
|
| 834 |
+
ATOM 238 N N3 . G A 1 11 ? 16.301 -34.219 0.368 1.00 19.57 ? 11 G A N3 1
|
| 835 |
+
ATOM 239 C C4 . G A 1 11 ? 16.324 -33.955 -0.962 1.00 19.81 ? 11 G A C4 1
|
| 836 |
+
ATOM 240 P P . U A 1 12 ? 11.610 -36.942 -3.751 1.00 25.89 ? 12 U A P 1
|
| 837 |
+
ATOM 241 O OP1 . U A 1 12 ? 10.738 -37.840 -4.527 1.00 26.23 ? 12 U A OP1 1
|
| 838 |
+
ATOM 242 O OP2 . U A 1 12 ? 11.838 -35.569 -4.250 1.00 26.14 ? 12 U A OP2 1
|
| 839 |
+
ATOM 243 O "O5'" . U A 1 12 ? 11.076 -36.861 -2.240 1.00 27.89 ? 12 U A "O5'" 1
|
| 840 |
+
ATOM 244 C "C5'" . U A 1 12 ? 10.433 -35.679 -1.742 1.00 31.69 ? 12 U A "C5'" 1
|
| 841 |
+
ATOM 245 C "C4'" . U A 1 12 ? 10.936 -35.334 -0.340 1.00 34.30 ? 12 U A "C4'" 1
|
| 842 |
+
ATOM 246 O "O4'" . U A 1 12 ? 12.356 -34.996 -0.402 1.00 35.70 ? 12 U A "O4'" 1
|
| 843 |
+
ATOM 247 C "C3'" . U A 1 12 ? 10.252 -34.138 0.330 1.00 35.27 ? 12 U A "C3'" 1
|
| 844 |
+
ATOM 248 O "O3'" . U A 1 12 ? 9.190 -34.582 1.184 1.00 35.06 ? 12 U A "O3'" 1
|
| 845 |
+
ATOM 249 C "C2'" . U A 1 12 ? 11.394 -33.471 1.122 1.00 35.82 ? 12 U A "C2'" 1
|
| 846 |
+
ATOM 250 O "O2'" . U A 1 12 ? 11.596 -34.036 2.406 1.00 36.78 ? 12 U A "O2'" 1
|
| 847 |
+
ATOM 251 C "C1'" . U A 1 12 ? 12.608 -33.748 0.238 1.00 34.95 ? 12 U A "C1'" 1
|
| 848 |
+
ATOM 252 N N1 . U A 1 12 ? 12.878 -32.672 -0.811 1.00 33.61 ? 12 U A N1 1
|
| 849 |
+
ATOM 253 C C2 . U A 1 12 ? 13.217 -31.392 -0.401 1.00 33.15 ? 12 U A C2 1
|
| 850 |
+
ATOM 254 O O2 . U A 1 12 ? 13.308 -31.061 0.778 1.00 32.89 ? 12 U A O2 1
|
| 851 |
+
ATOM 255 N N3 . U A 1 12 ? 13.432 -30.504 -1.431 1.00 32.24 ? 12 U A N3 1
|
| 852 |
+
ATOM 256 C C4 . U A 1 12 ? 13.342 -30.765 -2.793 1.00 32.37 ? 12 U A C4 1
|
| 853 |
+
ATOM 257 O O4 . U A 1 12 ? 13.556 -29.870 -3.599 1.00 33.27 ? 12 U A O4 1
|
| 854 |
+
ATOM 258 C C5 . U A 1 12 ? 12.992 -32.114 -3.139 1.00 31.83 ? 12 U A C5 1
|
| 855 |
+
ATOM 259 C C6 . U A 1 12 ? 12.781 -32.992 -2.161 1.00 32.83 ? 12 U A C6 1
|
| 856 |
+
HETATM 260 K K . K B 2 . ? 18.312 -28.303 0.000 0.50 46.56 ? 21 K A K 1
|
| 857 |
+
HETATM 261 K K . K C 2 . ? 21.719 -28.303 0.000 0.50 40.69 ? 22 K A K 1
|
| 858 |
+
HETATM 262 C CAA . R14 D 3 . ? 26.351 -24.584 13.891 1.00 57.77 ? 30 R14 A CAA 1
|
| 859 |
+
HETATM 263 C CAB . R14 D 3 . ? 27.871 -20.382 13.393 1.00 55.11 ? 30 R14 A CAB 1
|
| 860 |
+
HETATM 264 C CAC . R14 D 3 . ? 31.048 -16.128 -17.788 1.00 72.78 ? 30 R14 A CAC 1
|
| 861 |
+
HETATM 265 C CAD . R14 D 3 . ? 30.826 -12.375 -15.954 1.00 72.59 ? 30 R14 A CAD 1
|
| 862 |
+
HETATM 266 O OAE . R14 D 3 . ? 25.691 -21.513 8.887 1.00 48.85 ? 30 R14 A OAE 1
|
| 863 |
+
HETATM 267 O OAF . R14 D 3 . ? 29.242 -14.849 -12.169 1.00 67.59 ? 30 R14 A OAF 1
|
| 864 |
+
HETATM 268 C CAG . R14 D 3 . ? 26.210 -20.972 5.098 1.00 38.34 ? 30 R14 A CAG 1
|
| 865 |
+
HETATM 269 C CAH . R14 D 3 . ? 27.387 -16.132 -8.837 1.00 58.91 ? 30 R14 A CAH 1
|
| 866 |
+
HETATM 270 C CAI . R14 D 3 . ? 26.354 -21.450 6.400 1.00 39.35 ? 30 R14 A CAI 1
|
| 867 |
+
HETATM 271 C CAJ . R14 D 3 . ? 27.870 -15.987 -10.147 1.00 60.11 ? 30 R14 A CAJ 1
|
| 868 |
+
HETATM 272 C CAK . R14 D 3 . ? 26.253 -21.858 4.025 1.00 36.97 ? 30 R14 A CAK 1
|
| 869 |
+
HETATM 273 C CAL . R14 D 3 . ? 27.167 -17.412 -8.303 1.00 57.68 ? 30 R14 A CAL 1
|
| 870 |
+
HETATM 274 C CAM . R14 D 3 . ? 26.422 -26.513 -0.475 1.00 27.48 ? 30 R14 A CAM 1
|
| 871 |
+
HETATM 275 C CAN . R14 D 3 . ? 26.791 -23.928 -7.157 1.00 40.18 ? 30 R14 A CAN 1
|
| 872 |
+
HETATM 276 C CAO . R14 D 3 . ? 26.428 -26.749 -1.841 1.00 28.98 ? 30 R14 A CAO 1
|
| 873 |
+
HETATM 277 C CAP . R14 D 3 . ? 26.679 -25.009 -6.305 1.00 38.04 ? 30 R14 A CAP 1
|
| 874 |
+
HETATM 278 C CAQ . R14 D 3 . ? 26.576 -23.695 5.556 1.00 38.50 ? 30 R14 A CAQ 1
|
| 875 |
+
HETATM 279 C CAR . R14 D 3 . ? 27.916 -18.382 -10.382 1.00 59.04 ? 30 R14 A CAR 1
|
| 876 |
+
HETATM 280 C CAS . R14 D 3 . ? 26.630 -24.152 -0.879 1.00 30.31 ? 30 R14 A CAS 1
|
| 877 |
+
HETATM 281 C CAT . R14 D 3 . ? 26.882 -22.427 -5.281 1.00 39.18 ? 30 R14 A CAT 1
|
| 878 |
+
HETATM 282 C CAU . R14 D 3 . ? 26.554 -25.906 -4.086 1.00 33.42 ? 30 R14 A CAU 1
|
| 879 |
+
HETATM 283 C CAV . R14 D 3 . ? 26.422 -23.815 1.923 1.00 29.89 ? 30 R14 A CAV 1
|
| 880 |
+
HETATM 284 C CAW . R14 D 3 . ? 27.232 -20.328 -7.377 1.00 51.37 ? 30 R14 A CAW 1
|
| 881 |
+
HETATM 285 C CAX . R14 D 3 . ? 27.293 -23.836 12.921 1.00 57.62 ? 30 R14 A CAX 1
|
| 882 |
+
HETATM 286 C CAY . R14 D 3 . ? 27.906 -21.533 12.385 1.00 55.66 ? 30 R14 A CAY 1
|
| 883 |
+
HETATM 287 C CAZ . R14 D 3 . ? 31.938 -15.675 -16.618 1.00 72.68 ? 30 R14 A CAZ 1
|
| 884 |
+
HETATM 288 C CBA . R14 D 3 . ? 31.813 -13.490 -15.575 1.00 72.91 ? 30 R14 A CBA 1
|
| 885 |
+
HETATM 289 C CBB . R14 D 3 . ? 26.471 -23.303 10.296 1.00 50.30 ? 30 R14 A CBB 1
|
| 886 |
+
HETATM 290 C CBC . R14 D 3 . ? 29.699 -16.132 -14.170 1.00 68.54 ? 30 R14 A CBC 1
|
| 887 |
+
HETATM 291 C CBD . R14 D 3 . ? 25.867 -22.480 11.457 1.00 53.45 ? 30 R14 A CBD 1
|
| 888 |
+
HETATM 292 C CBE . R14 D 3 . ? 31.076 -15.456 -14.359 1.00 70.96 ? 30 R14 A CBE 1
|
| 889 |
+
HETATM 293 N NBF . R14 D 3 . ? 26.650 -25.414 3.280 1.00 31.59 ? 30 R14 A NBF 1
|
| 890 |
+
HETATM 294 N NBG . R14 D 3 . ? 27.002 -20.872 -9.419 1.00 53.86 ? 30 R14 A NBG 1
|
| 891 |
+
HETATM 295 N NBH . R14 D 3 . ? 26.661 -25.883 2.132 1.00 30.26 ? 30 R14 A NBH 1
|
| 892 |
+
HETATM 296 N NBI . R14 D 3 . ? 26.873 -21.893 -8.743 1.00 52.14 ? 30 R14 A NBI 1
|
| 893 |
+
HETATM 297 N NBJ . R14 D 3 . ? 26.752 -23.338 -3.089 1.00 33.51 ? 30 R14 A NBJ 1
|
| 894 |
+
HETATM 298 N NBK . R14 D 3 . ? 26.683 -23.284 7.884 1.00 45.16 ? 30 R14 A NBK 1
|
| 895 |
+
HETATM 299 N NBL . R14 D 3 . ? 28.617 -17.050 -12.192 1.00 64.33 ? 30 R14 A NBL 1
|
| 896 |
+
HETATM 300 C CBM . R14 D 3 . ? 26.238 -22.612 8.947 1.00 48.30 ? 30 R14 A CBM 1
|
| 897 |
+
HETATM 301 C CBN . R14 D 3 . ? 29.168 -15.946 -12.732 1.00 66.97 ? 30 R14 A CBN 1
|
| 898 |
+
HETATM 302 C CBO . R14 D 3 . ? 26.538 -22.810 6.634 1.00 41.12 ? 30 R14 A CBO 1
|
| 899 |
+
HETATM 303 C CBP . R14 D 3 . ? 28.138 -17.124 -10.925 1.00 61.16 ? 30 R14 A CBP 1
|
| 900 |
+
HETATM 304 C CBQ . R14 D 3 . ? 26.430 -23.221 4.258 1.00 35.28 ? 30 R14 A CBQ 1
|
| 901 |
+
HETATM 305 C CBR . R14 D 3 . ? 27.441 -18.539 -9.080 1.00 56.51 ? 30 R14 A CBR 1
|
| 902 |
+
HETATM 306 C CBS . R14 D 3 . ? 26.516 -25.214 0.003 1.00 28.59 ? 30 R14 A CBS 1
|
| 903 |
+
HETATM 307 C CBT . R14 D 3 . ? 26.892 -22.637 -6.656 1.00 42.73 ? 30 R14 A CBT 1
|
| 904 |
+
HETATM 308 C CBU . R14 D 3 . ? 26.488 -24.104 3.199 1.00 32.27 ? 30 R14 A CBU 1
|
| 905 |
+
HETATM 309 C CBV . R14 D 3 . ? 27.230 -19.843 -8.620 1.00 54.10 ? 30 R14 A CBV 1
|
| 906 |
+
HETATM 310 C CBW . R14 D 3 . ? 26.541 -25.684 -2.723 1.00 31.43 ? 30 R14 A CBW 1
|
| 907 |
+
HETATM 311 C CBX . R14 D 3 . ? 26.661 -24.813 -4.937 1.00 35.68 ? 30 R14 A CBX 1
|
| 908 |
+
HETATM 312 C CBY . R14 D 3 . ? 26.642 -24.381 -2.242 1.00 31.94 ? 30 R14 A CBY 1
|
| 909 |
+
HETATM 313 C CBZ . R14 D 3 . ? 26.762 -23.525 -4.418 1.00 35.67 ? 30 R14 A CBZ 1
|
| 910 |
+
HETATM 314 N NCA . R14 D 3 . ? 26.776 -22.464 12.631 1.00 55.86 ? 30 R14 A NCA 1
|
| 911 |
+
HETATM 315 N NCB . R14 D 3 . ? 31.156 -14.815 -15.696 1.00 72.68 ? 30 R14 A NCB 1
|
| 912 |
+
HETATM 316 N NCC . R14 D 3 . ? 26.520 -24.978 1.304 1.00 28.98 ? 30 R14 A NCC 1
|
| 913 |
+
HETATM 317 N NCD . R14 D 3 . ? 26.996 -21.639 -7.539 1.00 48.54 ? 30 R14 A NCD 1
|
| 914 |
+
HETATM 318 O O . HOH E 4 . ? 18.875 -19.886 0.082 1.00 14.77 ? 41 HOH A O 1
|
| 915 |
+
HETATM 319 O O . HOH E 4 . ? 22.717 -33.647 -11.695 1.00 34.60 ? 42 HOH A O 1
|
| 916 |
+
HETATM 320 O O . HOH E 4 . ? 23.284 -20.303 2.914 1.00 12.31 ? 43 HOH A O 1
|
| 917 |
+
HETATM 321 O O . HOH E 4 . ? 23.890 -25.760 -8.168 1.00 28.46 ? 44 HOH A O 1
|
| 918 |
+
HETATM 322 O O . HOH E 4 . ? 26.801 -26.177 8.524 1.00 40.93 ? 45 HOH A O 1
|
| 919 |
+
HETATM 323 O O . HOH E 4 . ? 14.487 -30.042 -9.434 1.00 13.48 ? 46 HOH A O 1
|
| 920 |
+
HETATM 324 O O . HOH E 4 . ? 16.963 -15.759 -1.656 1.00 39.00 ? 47 HOH A O 1
|
| 921 |
+
HETATM 325 O O . HOH E 4 . ? 28.832 -25.269 10.352 1.00 39.36 ? 48 HOH A O 1
|
| 922 |
+
HETATM 326 O O . HOH E 4 . ? 25.271 -18.666 2.089 1.00 43.72 ? 49 HOH A O 1
|
| 923 |
+
HETATM 327 O O . HOH E 4 . ? 21.340 -25.341 -8.156 1.00 23.95 ? 50 HOH A O 1
|
| 924 |
+
HETATM 328 O O . HOH E 4 . ? 13.520 -23.208 -5.463 1.00 12.93 ? 51 HOH A O 1
|
| 925 |
+
HETATM 329 O O . HOH E 4 . ? 12.339 -27.377 -4.798 1.00 51.43 ? 52 HOH A O 1
|
| 926 |
+
HETATM 330 O O . HOH E 4 . ? 14.003 -36.809 1.549 1.00 17.26 ? 53 HOH A O 1
|
| 927 |
+
HETATM 331 O O . HOH E 4 . ? 27.409 -27.752 5.058 0.50 19.58 ? 54 HOH A O 1
|
| 928 |
+
HETATM 332 O O . HOH E 4 . ? 28.638 -11.844 9.437 1.00 4.43 ? 55 HOH A O 1
|
| 929 |
+
HETATM 333 O O . HOH E 4 . ? 29.768 -21.101 0.397 1.00 43.14 ? 56 HOH A O 1
|
| 930 |
+
#
|
| 931 |
+
loop_
|
| 932 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 933 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 934 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 935 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 936 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 937 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 938 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 939 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 940 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 941 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 942 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 943 |
+
_pdbx_poly_seq_scheme.hetero
|
| 944 |
+
A 1 1 U 1 1 1 U U A . n
|
| 945 |
+
A 1 2 A 2 2 2 A A A . n
|
| 946 |
+
A 1 3 G 3 3 3 G G A . n
|
| 947 |
+
A 1 4 G 4 4 4 G G A . n
|
| 948 |
+
A 1 5 G 5 5 5 G G A . n
|
| 949 |
+
A 1 6 U 6 6 6 U U A . n
|
| 950 |
+
A 1 7 U 7 7 7 U U A . n
|
| 951 |
+
A 1 8 A 8 8 8 A A A . n
|
| 952 |
+
A 1 9 G 9 9 9 G G A . n
|
| 953 |
+
A 1 10 G 10 10 10 G G A . n
|
| 954 |
+
A 1 11 G 11 11 11 G G A . n
|
| 955 |
+
A 1 12 U 12 12 12 U U A . n
|
| 956 |
+
#
|
| 957 |
+
loop_
|
| 958 |
+
_pdbx_nonpoly_scheme.asym_id
|
| 959 |
+
_pdbx_nonpoly_scheme.entity_id
|
| 960 |
+
_pdbx_nonpoly_scheme.mon_id
|
| 961 |
+
_pdbx_nonpoly_scheme.ndb_seq_num
|
| 962 |
+
_pdbx_nonpoly_scheme.pdb_seq_num
|
| 963 |
+
_pdbx_nonpoly_scheme.auth_seq_num
|
| 964 |
+
_pdbx_nonpoly_scheme.pdb_mon_id
|
| 965 |
+
_pdbx_nonpoly_scheme.auth_mon_id
|
| 966 |
+
_pdbx_nonpoly_scheme.pdb_strand_id
|
| 967 |
+
_pdbx_nonpoly_scheme.pdb_ins_code
|
| 968 |
+
B 2 K 1 21 21 K K A .
|
| 969 |
+
C 2 K 1 22 22 K K A .
|
| 970 |
+
D 3 R14 1 30 30 R14 R14 A .
|
| 971 |
+
E 4 HOH 1 41 41 HOH HOH A .
|
| 972 |
+
E 4 HOH 2 42 42 HOH HOH A .
|
| 973 |
+
E 4 HOH 3 43 43 HOH HOH A .
|
| 974 |
+
E 4 HOH 4 44 44 HOH HOH A .
|
| 975 |
+
E 4 HOH 5 45 45 HOH HOH A .
|
| 976 |
+
E 4 HOH 6 46 46 HOH HOH A .
|
| 977 |
+
E 4 HOH 7 47 47 HOH HOH A .
|
| 978 |
+
E 4 HOH 8 48 48 HOH HOH A .
|
| 979 |
+
E 4 HOH 9 49 49 HOH HOH A .
|
| 980 |
+
E 4 HOH 10 50 50 HOH HOH A .
|
| 981 |
+
E 4 HOH 11 51 51 HOH HOH A .
|
| 982 |
+
E 4 HOH 12 52 52 HOH HOH A .
|
| 983 |
+
E 4 HOH 13 53 53 HOH HOH A .
|
| 984 |
+
E 4 HOH 14 54 54 HOH HOH A .
|
| 985 |
+
E 4 HOH 15 55 55 HOH HOH A .
|
| 986 |
+
E 4 HOH 16 56 56 HOH HOH A .
|
| 987 |
+
#
|
| 988 |
+
_pdbx_struct_assembly.id 1
|
| 989 |
+
_pdbx_struct_assembly.details author_and_software_defined_assembly
|
| 990 |
+
_pdbx_struct_assembly.method_details PISA
|
| 991 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 992 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 993 |
+
#
|
| 994 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 995 |
+
_pdbx_struct_assembly_gen.oper_expression 1,2
|
| 996 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E
|
| 997 |
+
#
|
| 998 |
+
loop_
|
| 999 |
+
_pdbx_struct_assembly_prop.biol_id
|
| 1000 |
+
_pdbx_struct_assembly_prop.type
|
| 1001 |
+
_pdbx_struct_assembly_prop.value
|
| 1002 |
+
_pdbx_struct_assembly_prop.details
|
| 1003 |
+
1 'ABSA (A^2)' 2230 ?
|
| 1004 |
+
1 MORE -17 ?
|
| 1005 |
+
1 'SSA (A^2)' 4880 ?
|
| 1006 |
+
#
|
| 1007 |
+
loop_
|
| 1008 |
+
_pdbx_struct_oper_list.id
|
| 1009 |
+
_pdbx_struct_oper_list.type
|
| 1010 |
+
_pdbx_struct_oper_list.name
|
| 1011 |
+
_pdbx_struct_oper_list.symmetry_operation
|
| 1012 |
+
_pdbx_struct_oper_list.matrix[1][1]
|
| 1013 |
+
_pdbx_struct_oper_list.matrix[1][2]
|
| 1014 |
+
_pdbx_struct_oper_list.matrix[1][3]
|
| 1015 |
+
_pdbx_struct_oper_list.vector[1]
|
| 1016 |
+
_pdbx_struct_oper_list.matrix[2][1]
|
| 1017 |
+
_pdbx_struct_oper_list.matrix[2][2]
|
| 1018 |
+
_pdbx_struct_oper_list.matrix[2][3]
|
| 1019 |
+
_pdbx_struct_oper_list.vector[2]
|
| 1020 |
+
_pdbx_struct_oper_list.matrix[3][1]
|
| 1021 |
+
_pdbx_struct_oper_list.matrix[3][2]
|
| 1022 |
+
_pdbx_struct_oper_list.matrix[3][3]
|
| 1023 |
+
_pdbx_struct_oper_list.vector[3]
|
| 1024 |
+
1 'identity operation' 1_555 x,y,z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000
|
| 1025 |
+
0.0000000000 0.0000000000 0.0000000000 0.0000000000 1.0000000000 0.0000000000
|
| 1026 |
+
2 'crystal symmetry operation' 4_545 x,-y-1,-z 1.0000000000 0.0000000000 0.0000000000 0.0000000000 0.0000000000 -1.0000000000
|
| 1027 |
+
0.0000000000 -56.6060000000 0.0000000000 0.0000000000 -1.0000000000 0.0000000000
|
| 1028 |
+
#
|
| 1029 |
+
loop_
|
| 1030 |
+
_pdbx_struct_special_symmetry.id
|
| 1031 |
+
_pdbx_struct_special_symmetry.PDB_model_num
|
| 1032 |
+
_pdbx_struct_special_symmetry.auth_asym_id
|
| 1033 |
+
_pdbx_struct_special_symmetry.auth_comp_id
|
| 1034 |
+
_pdbx_struct_special_symmetry.auth_seq_id
|
| 1035 |
+
_pdbx_struct_special_symmetry.PDB_ins_code
|
| 1036 |
+
_pdbx_struct_special_symmetry.label_asym_id
|
| 1037 |
+
_pdbx_struct_special_symmetry.label_comp_id
|
| 1038 |
+
_pdbx_struct_special_symmetry.label_seq_id
|
| 1039 |
+
1 1 A K 21 ? B K .
|
| 1040 |
+
2 1 A K 22 ? C K .
|
| 1041 |
+
#
|
| 1042 |
+
loop_
|
| 1043 |
+
_pdbx_struct_conn_angle.id
|
| 1044 |
+
_pdbx_struct_conn_angle.ptnr1_label_atom_id
|
| 1045 |
+
_pdbx_struct_conn_angle.ptnr1_label_alt_id
|
| 1046 |
+
_pdbx_struct_conn_angle.ptnr1_label_asym_id
|
| 1047 |
+
_pdbx_struct_conn_angle.ptnr1_label_comp_id
|
| 1048 |
+
_pdbx_struct_conn_angle.ptnr1_label_seq_id
|
| 1049 |
+
_pdbx_struct_conn_angle.ptnr1_auth_atom_id
|
| 1050 |
+
_pdbx_struct_conn_angle.ptnr1_auth_asym_id
|
| 1051 |
+
_pdbx_struct_conn_angle.ptnr1_auth_comp_id
|
| 1052 |
+
_pdbx_struct_conn_angle.ptnr1_auth_seq_id
|
| 1053 |
+
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code
|
| 1054 |
+
_pdbx_struct_conn_angle.ptnr1_symmetry
|
| 1055 |
+
_pdbx_struct_conn_angle.ptnr2_label_atom_id
|
| 1056 |
+
_pdbx_struct_conn_angle.ptnr2_label_alt_id
|
| 1057 |
+
_pdbx_struct_conn_angle.ptnr2_label_asym_id
|
| 1058 |
+
_pdbx_struct_conn_angle.ptnr2_label_comp_id
|
| 1059 |
+
_pdbx_struct_conn_angle.ptnr2_label_seq_id
|
| 1060 |
+
_pdbx_struct_conn_angle.ptnr2_auth_atom_id
|
| 1061 |
+
_pdbx_struct_conn_angle.ptnr2_auth_asym_id
|
| 1062 |
+
_pdbx_struct_conn_angle.ptnr2_auth_comp_id
|
| 1063 |
+
_pdbx_struct_conn_angle.ptnr2_auth_seq_id
|
| 1064 |
+
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code
|
| 1065 |
+
_pdbx_struct_conn_angle.ptnr2_symmetry
|
| 1066 |
+
_pdbx_struct_conn_angle.ptnr3_label_atom_id
|
| 1067 |
+
_pdbx_struct_conn_angle.ptnr3_label_alt_id
|
| 1068 |
+
_pdbx_struct_conn_angle.ptnr3_label_asym_id
|
| 1069 |
+
_pdbx_struct_conn_angle.ptnr3_label_comp_id
|
| 1070 |
+
_pdbx_struct_conn_angle.ptnr3_label_seq_id
|
| 1071 |
+
_pdbx_struct_conn_angle.ptnr3_auth_atom_id
|
| 1072 |
+
_pdbx_struct_conn_angle.ptnr3_auth_asym_id
|
| 1073 |
+
_pdbx_struct_conn_angle.ptnr3_auth_comp_id
|
| 1074 |
+
_pdbx_struct_conn_angle.ptnr3_auth_seq_id
|
| 1075 |
+
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code
|
| 1076 |
+
_pdbx_struct_conn_angle.ptnr3_symmetry
|
| 1077 |
+
_pdbx_struct_conn_angle.value
|
| 1078 |
+
_pdbx_struct_conn_angle.value_esd
|
| 1079 |
+
1 O6 ? A G 3 ? A G 3 ? 1_555 K ? C K . ? A K 22 ? 1_555 O6 ? A G 4 ? A G 4 ? 1_555 73.8 ?
|
| 1080 |
+
2 O6 ? A G 3 ? A G 3 ? 1_555 K ? C K . ? A K 22 ? 1_555 O6 ? A G 9 ? A G 9 ? 1_555 81.0 ?
|
| 1081 |
+
3 O6 ? A G 4 ? A G 4 ? 1_555 K ? C K . ? A K 22 ? 1_555 O6 ? A G 9 ? A G 9 ? 1_555 87.3 ?
|
| 1082 |
+
4 O6 ? A G 3 ? A G 3 ? 1_555 K ? C K . ? A K 22 ? 1_555 O6 ? A G 10 ? A G 10 ? 1_555 135.5 ?
|
| 1083 |
+
5 O6 ? A G 4 ? A G 4 ? 1_555 K ? C K . ? A K 22 ? 1_555 O6 ? A G 10 ? A G 10 ? 1_555 66.9 ?
|
| 1084 |
+
6 O6 ? A G 9 ? A G 9 ? 1_555 K ? C K . ? A K 22 ? 1_555 O6 ? A G 10 ? A G 10 ? 1_555 77.3 ?
|
| 1085 |
+
7 O6 ? A G 4 ? A G 4 ? 1_555 K ? B K . ? A K 21 ? 1_555 O6 ? A G 5 ? A G 5 ? 1_555 63.3 ?
|
| 1086 |
+
8 O6 ? A G 4 ? A G 4 ? 1_555 K ? B K . ? A K 21 ? 1_555 O6 ? A G 10 ? A G 10 ? 1_555 78.8 ?
|
| 1087 |
+
9 O6 ? A G 5 ? A G 5 ? 1_555 K ? B K . ? A K 21 ? 1_555 O6 ? A G 10 ? A G 10 ? 1_555 97.9 ?
|
| 1088 |
+
10 O6 ? A G 4 ? A G 4 ? 1_555 K ? B K . ? A K 21 ? 1_555 O6 ? A G 11 ? A G 11 ? 1_555 120.0 ?
|
| 1089 |
+
11 O6 ? A G 5 ? A G 5 ? 1_555 K ? B K . ? A K 21 ? 1_555 O6 ? A G 11 ? A G 11 ? 1_555 74.6 ?
|
| 1090 |
+
12 O6 ? A G 10 ? A G 10 ? 1_555 K ? B K . ? A K 21 ? 1_555 O6 ? A G 11 ? A G 11 ? 1_555 66.4 ?
|
| 1091 |
+
#
|
| 1092 |
+
loop_
|
| 1093 |
+
_pdbx_audit_revision_history.ordinal
|
| 1094 |
+
_pdbx_audit_revision_history.data_content_type
|
| 1095 |
+
_pdbx_audit_revision_history.major_revision
|
| 1096 |
+
_pdbx_audit_revision_history.minor_revision
|
| 1097 |
+
_pdbx_audit_revision_history.revision_date
|
| 1098 |
+
1 'Structure model' 1 0 2011-02-16
|
| 1099 |
+
2 'Structure model' 1 1 2011-07-13
|
| 1100 |
+
3 'Structure model' 1 2 2023-09-06
|
| 1101 |
+
#
|
| 1102 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 1103 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 1104 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 1105 |
+
_pdbx_audit_revision_details.provider repository
|
| 1106 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 1107 |
+
_pdbx_audit_revision_details.description ?
|
| 1108 |
+
_pdbx_audit_revision_details.details ?
|
| 1109 |
+
#
|
| 1110 |
+
loop_
|
| 1111 |
+
_pdbx_audit_revision_group.ordinal
|
| 1112 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 1113 |
+
_pdbx_audit_revision_group.data_content_type
|
| 1114 |
+
_pdbx_audit_revision_group.group
|
| 1115 |
+
1 2 'Structure model' 'Version format compliance'
|
| 1116 |
+
2 3 'Structure model' 'Data collection'
|
| 1117 |
+
3 3 'Structure model' 'Database references'
|
| 1118 |
+
4 3 'Structure model' 'Derived calculations'
|
| 1119 |
+
5 3 'Structure model' 'Refinement description'
|
| 1120 |
+
#
|
| 1121 |
+
loop_
|
| 1122 |
+
_pdbx_audit_revision_category.ordinal
|
| 1123 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 1124 |
+
_pdbx_audit_revision_category.data_content_type
|
| 1125 |
+
_pdbx_audit_revision_category.category
|
| 1126 |
+
1 3 'Structure model' chem_comp_atom
|
| 1127 |
+
2 3 'Structure model' chem_comp_bond
|
| 1128 |
+
3 3 'Structure model' database_2
|
| 1129 |
+
4 3 'Structure model' pdbx_initial_refinement_model
|
| 1130 |
+
5 3 'Structure model' pdbx_struct_conn_angle
|
| 1131 |
+
6 3 'Structure model' struct_conn
|
| 1132 |
+
7 3 'Structure model' struct_site
|
| 1133 |
+
#
|
| 1134 |
+
loop_
|
| 1135 |
+
_pdbx_audit_revision_item.ordinal
|
| 1136 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 1137 |
+
_pdbx_audit_revision_item.data_content_type
|
| 1138 |
+
_pdbx_audit_revision_item.item
|
| 1139 |
+
1 3 'Structure model' '_database_2.pdbx_DOI'
|
| 1140 |
+
2 3 'Structure model' '_database_2.pdbx_database_accession'
|
| 1141 |
+
3 3 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_seq_id'
|
| 1142 |
+
4 3 'Structure model' '_pdbx_struct_conn_angle.ptnr1_label_seq_id'
|
| 1143 |
+
5 3 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id'
|
| 1144 |
+
6 3 'Structure model' '_pdbx_struct_conn_angle.ptnr3_label_seq_id'
|
| 1145 |
+
7 3 'Structure model' '_pdbx_struct_conn_angle.value'
|
| 1146 |
+
8 3 'Structure model' '_struct_conn.pdbx_dist_value'
|
| 1147 |
+
9 3 'Structure model' '_struct_conn.ptnr1_auth_seq_id'
|
| 1148 |
+
10 3 'Structure model' '_struct_conn.ptnr1_label_seq_id'
|
| 1149 |
+
11 3 'Structure model' '_struct_conn.ptnr2_auth_seq_id'
|
| 1150 |
+
12 3 'Structure model' '_struct_conn.ptnr2_label_asym_id'
|
| 1151 |
+
13 3 'Structure model' '_struct_site.pdbx_auth_asym_id'
|
| 1152 |
+
14 3 'Structure model' '_struct_site.pdbx_auth_comp_id'
|
| 1153 |
+
15 3 'Structure model' '_struct_site.pdbx_auth_seq_id'
|
| 1154 |
+
#
|
| 1155 |
+
loop_
|
| 1156 |
+
_pdbx_refine_tls.pdbx_refine_id
|
| 1157 |
+
_pdbx_refine_tls.id
|
| 1158 |
+
_pdbx_refine_tls.details
|
| 1159 |
+
_pdbx_refine_tls.method
|
| 1160 |
+
_pdbx_refine_tls.origin_x
|
| 1161 |
+
_pdbx_refine_tls.origin_y
|
| 1162 |
+
_pdbx_refine_tls.origin_z
|
| 1163 |
+
_pdbx_refine_tls.T[1][1]
|
| 1164 |
+
_pdbx_refine_tls.T[2][2]
|
| 1165 |
+
_pdbx_refine_tls.T[3][3]
|
| 1166 |
+
_pdbx_refine_tls.T[1][2]
|
| 1167 |
+
_pdbx_refine_tls.T[1][3]
|
| 1168 |
+
_pdbx_refine_tls.T[2][3]
|
| 1169 |
+
_pdbx_refine_tls.L[1][1]
|
| 1170 |
+
_pdbx_refine_tls.L[2][2]
|
| 1171 |
+
_pdbx_refine_tls.L[3][3]
|
| 1172 |
+
_pdbx_refine_tls.L[1][2]
|
| 1173 |
+
_pdbx_refine_tls.L[1][3]
|
| 1174 |
+
_pdbx_refine_tls.L[2][3]
|
| 1175 |
+
_pdbx_refine_tls.S[1][1]
|
| 1176 |
+
_pdbx_refine_tls.S[2][2]
|
| 1177 |
+
_pdbx_refine_tls.S[3][3]
|
| 1178 |
+
_pdbx_refine_tls.S[1][2]
|
| 1179 |
+
_pdbx_refine_tls.S[1][3]
|
| 1180 |
+
_pdbx_refine_tls.S[2][3]
|
| 1181 |
+
_pdbx_refine_tls.S[2][1]
|
| 1182 |
+
_pdbx_refine_tls.S[3][1]
|
| 1183 |
+
_pdbx_refine_tls.S[3][2]
|
| 1184 |
+
'X-RAY DIFFRACTION' 1 ? refined 19.9659 -21.4686 -2.7363 0.1264 0.1472 0.2204 0.0291 0.0452 0.0420 6.8194 5.0378 2.5129 -1.0818
|
| 1185 |
+
-0.7852 -3.3089 -0.1504 -0.1088 0.2592 -0.0514 0.3473 0.1893 -0.0798 -0.4133 0.0868
|
| 1186 |
+
'X-RAY DIFFRACTION' 2 ? refined 19.1291 -29.4003 -6.8385 0.1336 0.1870 0.1853 0.0498 -0.0186 -0.0234 7.8860 5.3643 5.8467 1.0090
|
| 1187 |
+
0.5586 4.0655 0.0286 0.4676 -0.4961 0.4748 0.4414 0.6362 -0.0921 -0.1051 -0.5266
|
| 1188 |
+
#
|
| 1189 |
+
loop_
|
| 1190 |
+
_pdbx_refine_tls_group.pdbx_refine_id
|
| 1191 |
+
_pdbx_refine_tls_group.id
|
| 1192 |
+
_pdbx_refine_tls_group.refine_tls_id
|
| 1193 |
+
_pdbx_refine_tls_group.beg_auth_asym_id
|
| 1194 |
+
_pdbx_refine_tls_group.beg_auth_seq_id
|
| 1195 |
+
_pdbx_refine_tls_group.end_auth_asym_id
|
| 1196 |
+
_pdbx_refine_tls_group.end_auth_seq_id
|
| 1197 |
+
_pdbx_refine_tls_group.selection_details
|
| 1198 |
+
_pdbx_refine_tls_group.beg_label_asym_id
|
| 1199 |
+
_pdbx_refine_tls_group.beg_label_seq_id
|
| 1200 |
+
_pdbx_refine_tls_group.end_label_asym_id
|
| 1201 |
+
_pdbx_refine_tls_group.end_label_seq_id
|
| 1202 |
+
_pdbx_refine_tls_group.selection
|
| 1203 |
+
'X-RAY DIFFRACTION' 1 1 A 1 A 6 ? . . . . ?
|
| 1204 |
+
'X-RAY DIFFRACTION' 2 2 A 7 A 12 ? . . . . ?
|
| 1205 |
+
#
|
| 1206 |
+
loop_
|
| 1207 |
+
_software.name
|
| 1208 |
+
_software.classification
|
| 1209 |
+
_software.version
|
| 1210 |
+
_software.citation_id
|
| 1211 |
+
_software.pdbx_ordinal
|
| 1212 |
+
DNA 'data collection' . ? 1
|
| 1213 |
+
PHASER phasing . ? 2
|
| 1214 |
+
REFMAC refinement 5.5.0072 ? 3
|
| 1215 |
+
CrystalClear 'data reduction' . ? 4
|
| 1216 |
+
CrystalClear 'data scaling' . ? 5
|
| 1217 |
+
#
|
| 1218 |
+
loop_
|
| 1219 |
+
_chem_comp_atom.comp_id
|
| 1220 |
+
_chem_comp_atom.atom_id
|
| 1221 |
+
_chem_comp_atom.type_symbol
|
| 1222 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 1223 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 1224 |
+
_chem_comp_atom.pdbx_ordinal
|
| 1225 |
+
A OP3 O N N 1
|
| 1226 |
+
A P P N N 2
|
| 1227 |
+
A OP1 O N N 3
|
| 1228 |
+
A OP2 O N N 4
|
| 1229 |
+
A "O5'" O N N 5
|
| 1230 |
+
A "C5'" C N N 6
|
| 1231 |
+
A "C4'" C N R 7
|
| 1232 |
+
A "O4'" O N N 8
|
| 1233 |
+
A "C3'" C N S 9
|
| 1234 |
+
A "O3'" O N N 10
|
| 1235 |
+
A "C2'" C N R 11
|
| 1236 |
+
A "O2'" O N N 12
|
| 1237 |
+
A "C1'" C N R 13
|
| 1238 |
+
A N9 N Y N 14
|
| 1239 |
+
A C8 C Y N 15
|
| 1240 |
+
A N7 N Y N 16
|
| 1241 |
+
A C5 C Y N 17
|
| 1242 |
+
A C6 C Y N 18
|
| 1243 |
+
A N6 N N N 19
|
| 1244 |
+
A N1 N Y N 20
|
| 1245 |
+
A C2 C Y N 21
|
| 1246 |
+
A N3 N Y N 22
|
| 1247 |
+
A C4 C Y N 23
|
| 1248 |
+
A HOP3 H N N 24
|
| 1249 |
+
A HOP2 H N N 25
|
| 1250 |
+
A "H5'" H N N 26
|
| 1251 |
+
A "H5''" H N N 27
|
| 1252 |
+
A "H4'" H N N 28
|
| 1253 |
+
A "H3'" H N N 29
|
| 1254 |
+
A "HO3'" H N N 30
|
| 1255 |
+
A "H2'" H N N 31
|
| 1256 |
+
A "HO2'" H N N 32
|
| 1257 |
+
A "H1'" H N N 33
|
| 1258 |
+
A H8 H N N 34
|
| 1259 |
+
A H61 H N N 35
|
| 1260 |
+
A H62 H N N 36
|
| 1261 |
+
A H2 H N N 37
|
| 1262 |
+
G OP3 O N N 38
|
| 1263 |
+
G P P N N 39
|
| 1264 |
+
G OP1 O N N 40
|
| 1265 |
+
G OP2 O N N 41
|
| 1266 |
+
G "O5'" O N N 42
|
| 1267 |
+
G "C5'" C N N 43
|
| 1268 |
+
G "C4'" C N R 44
|
| 1269 |
+
G "O4'" O N N 45
|
| 1270 |
+
G "C3'" C N S 46
|
| 1271 |
+
G "O3'" O N N 47
|
| 1272 |
+
G "C2'" C N R 48
|
| 1273 |
+
G "O2'" O N N 49
|
| 1274 |
+
G "C1'" C N R 50
|
| 1275 |
+
G N9 N Y N 51
|
| 1276 |
+
G C8 C Y N 52
|
| 1277 |
+
G N7 N Y N 53
|
| 1278 |
+
G C5 C Y N 54
|
| 1279 |
+
G C6 C N N 55
|
| 1280 |
+
G O6 O N N 56
|
| 1281 |
+
G N1 N N N 57
|
| 1282 |
+
G C2 C N N 58
|
| 1283 |
+
G N2 N N N 59
|
| 1284 |
+
G N3 N N N 60
|
| 1285 |
+
G C4 C Y N 61
|
| 1286 |
+
G HOP3 H N N 62
|
| 1287 |
+
G HOP2 H N N 63
|
| 1288 |
+
G "H5'" H N N 64
|
| 1289 |
+
G "H5''" H N N 65
|
| 1290 |
+
G "H4'" H N N 66
|
| 1291 |
+
G "H3'" H N N 67
|
| 1292 |
+
G "HO3'" H N N 68
|
| 1293 |
+
G "H2'" H N N 69
|
| 1294 |
+
G "HO2'" H N N 70
|
| 1295 |
+
G "H1'" H N N 71
|
| 1296 |
+
G H8 H N N 72
|
| 1297 |
+
G H1 H N N 73
|
| 1298 |
+
G H21 H N N 74
|
| 1299 |
+
G H22 H N N 75
|
| 1300 |
+
HOH O O N N 76
|
| 1301 |
+
HOH H1 H N N 77
|
| 1302 |
+
HOH H2 H N N 78
|
| 1303 |
+
K K K N N 79
|
| 1304 |
+
R14 CAA C N N 80
|
| 1305 |
+
R14 CAB C N N 81
|
| 1306 |
+
R14 CAC C N N 82
|
| 1307 |
+
R14 CAD C N N 83
|
| 1308 |
+
R14 OAE O N N 84
|
| 1309 |
+
R14 OAF O N N 85
|
| 1310 |
+
R14 CAG C Y N 86
|
| 1311 |
+
R14 CAH C Y N 87
|
| 1312 |
+
R14 CAI C Y N 88
|
| 1313 |
+
R14 CAJ C Y N 89
|
| 1314 |
+
R14 CAK C Y N 90
|
| 1315 |
+
R14 CAL C Y N 91
|
| 1316 |
+
R14 CAM C Y N 92
|
| 1317 |
+
R14 CAN C Y N 93
|
| 1318 |
+
R14 CAO C Y N 94
|
| 1319 |
+
R14 CAP C Y N 95
|
| 1320 |
+
R14 CAQ C Y N 96
|
| 1321 |
+
R14 CAR C Y N 97
|
| 1322 |
+
R14 CAS C Y N 98
|
| 1323 |
+
R14 CAT C Y N 99
|
| 1324 |
+
R14 CAU C Y N 100
|
| 1325 |
+
R14 CAV C Y N 101
|
| 1326 |
+
R14 CAW C Y N 102
|
| 1327 |
+
R14 CAX C N N 103
|
| 1328 |
+
R14 CAY C N N 104
|
| 1329 |
+
R14 CAZ C N N 105
|
| 1330 |
+
R14 CBA C N N 106
|
| 1331 |
+
R14 CBB C N N 107
|
| 1332 |
+
R14 CBC C N N 108
|
| 1333 |
+
R14 CBD C N N 109
|
| 1334 |
+
R14 CBE C N N 110
|
| 1335 |
+
R14 NBF N Y N 111
|
| 1336 |
+
R14 NBG N Y N 112
|
| 1337 |
+
R14 NBH N Y N 113
|
| 1338 |
+
R14 NBI N Y N 114
|
| 1339 |
+
R14 NBJ N Y N 115
|
| 1340 |
+
R14 NBK N N N 116
|
| 1341 |
+
R14 NBL N N N 117
|
| 1342 |
+
R14 CBM C N N 118
|
| 1343 |
+
R14 CBN C N N 119
|
| 1344 |
+
R14 CBO C Y N 120
|
| 1345 |
+
R14 CBP C Y N 121
|
| 1346 |
+
R14 CBQ C Y N 122
|
| 1347 |
+
R14 CBR C Y N 123
|
| 1348 |
+
R14 CBS C Y N 124
|
| 1349 |
+
R14 CBT C Y N 125
|
| 1350 |
+
R14 CBU C Y N 126
|
| 1351 |
+
R14 CBV C Y N 127
|
| 1352 |
+
R14 CBW C Y N 128
|
| 1353 |
+
R14 CBX C Y N 129
|
| 1354 |
+
R14 CBY C Y N 130
|
| 1355 |
+
R14 CBZ C Y N 131
|
| 1356 |
+
R14 NCA N N N 132
|
| 1357 |
+
R14 NCB N N N 133
|
| 1358 |
+
R14 NCC N Y N 134
|
| 1359 |
+
R14 NCD N Y N 135
|
| 1360 |
+
R14 HAA H N N 136
|
| 1361 |
+
R14 HAAA H N N 137
|
| 1362 |
+
R14 HAAB H N N 138
|
| 1363 |
+
R14 HAB H N N 139
|
| 1364 |
+
R14 HABA H N N 140
|
| 1365 |
+
R14 HABB H N N 141
|
| 1366 |
+
R14 HAC H N N 142
|
| 1367 |
+
R14 HACA H N N 143
|
| 1368 |
+
R14 HACB H N N 144
|
| 1369 |
+
R14 HAD H N N 145
|
| 1370 |
+
R14 HADA H N N 146
|
| 1371 |
+
R14 HADB H N N 147
|
| 1372 |
+
R14 HAG H N N 148
|
| 1373 |
+
R14 HAH H N N 149
|
| 1374 |
+
R14 HAI H N N 150
|
| 1375 |
+
R14 HAJ H N N 151
|
| 1376 |
+
R14 HAK H N N 152
|
| 1377 |
+
R14 HAL H N N 153
|
| 1378 |
+
R14 HAM H N N 154
|
| 1379 |
+
R14 HAN H N N 155
|
| 1380 |
+
R14 HAO H N N 156
|
| 1381 |
+
R14 HAP H N N 157
|
| 1382 |
+
R14 HAQ H N N 158
|
| 1383 |
+
R14 HAR H N N 159
|
| 1384 |
+
R14 HAS H N N 160
|
| 1385 |
+
R14 HAT H N N 161
|
| 1386 |
+
R14 HAU H N N 162
|
| 1387 |
+
R14 HAV H N N 163
|
| 1388 |
+
R14 HAW H N N 164
|
| 1389 |
+
R14 HAX H N N 165
|
| 1390 |
+
R14 HAXA H N N 166
|
| 1391 |
+
R14 HAY H N N 167
|
| 1392 |
+
R14 HAYA H N N 168
|
| 1393 |
+
R14 HAZ H N N 169
|
| 1394 |
+
R14 HAZA H N N 170
|
| 1395 |
+
R14 HBA H N N 171
|
| 1396 |
+
R14 HBAA H N N 172
|
| 1397 |
+
R14 HBB H N N 173
|
| 1398 |
+
R14 HBBA H N N 174
|
| 1399 |
+
R14 HBC H N N 175
|
| 1400 |
+
R14 HBCA H N N 176
|
| 1401 |
+
R14 HBD H N N 177
|
| 1402 |
+
R14 HBDA H N N 178
|
| 1403 |
+
R14 HBE H N N 179
|
| 1404 |
+
R14 HBEA H N N 180
|
| 1405 |
+
R14 HNBK H N N 181
|
| 1406 |
+
R14 HNBL H N N 182
|
| 1407 |
+
U OP3 O N N 183
|
| 1408 |
+
U P P N N 184
|
| 1409 |
+
U OP1 O N N 185
|
| 1410 |
+
U OP2 O N N 186
|
| 1411 |
+
U "O5'" O N N 187
|
| 1412 |
+
U "C5'" C N N 188
|
| 1413 |
+
U "C4'" C N R 189
|
| 1414 |
+
U "O4'" O N N 190
|
| 1415 |
+
U "C3'" C N S 191
|
| 1416 |
+
U "O3'" O N N 192
|
| 1417 |
+
U "C2'" C N R 193
|
| 1418 |
+
U "O2'" O N N 194
|
| 1419 |
+
U "C1'" C N R 195
|
| 1420 |
+
U N1 N N N 196
|
| 1421 |
+
U C2 C N N 197
|
| 1422 |
+
U O2 O N N 198
|
| 1423 |
+
U N3 N N N 199
|
| 1424 |
+
U C4 C N N 200
|
| 1425 |
+
U O4 O N N 201
|
| 1426 |
+
U C5 C N N 202
|
| 1427 |
+
U C6 C N N 203
|
| 1428 |
+
U HOP3 H N N 204
|
| 1429 |
+
U HOP2 H N N 205
|
| 1430 |
+
U "H5'" H N N 206
|
| 1431 |
+
U "H5''" H N N 207
|
| 1432 |
+
U "H4'" H N N 208
|
| 1433 |
+
U "H3'" H N N 209
|
| 1434 |
+
U "HO3'" H N N 210
|
| 1435 |
+
U "H2'" H N N 211
|
| 1436 |
+
U "HO2'" H N N 212
|
| 1437 |
+
U "H1'" H N N 213
|
| 1438 |
+
U H3 H N N 214
|
| 1439 |
+
U H5 H N N 215
|
| 1440 |
+
U H6 H N N 216
|
| 1441 |
+
#
|
| 1442 |
+
loop_
|
| 1443 |
+
_chem_comp_bond.comp_id
|
| 1444 |
+
_chem_comp_bond.atom_id_1
|
| 1445 |
+
_chem_comp_bond.atom_id_2
|
| 1446 |
+
_chem_comp_bond.value_order
|
| 1447 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 1448 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 1449 |
+
_chem_comp_bond.pdbx_ordinal
|
| 1450 |
+
A OP3 P sing N N 1
|
| 1451 |
+
A OP3 HOP3 sing N N 2
|
| 1452 |
+
A P OP1 doub N N 3
|
| 1453 |
+
A P OP2 sing N N 4
|
| 1454 |
+
A P "O5'" sing N N 5
|
| 1455 |
+
A OP2 HOP2 sing N N 6
|
| 1456 |
+
A "O5'" "C5'" sing N N 7
|
| 1457 |
+
A "C5'" "C4'" sing N N 8
|
| 1458 |
+
A "C5'" "H5'" sing N N 9
|
| 1459 |
+
A "C5'" "H5''" sing N N 10
|
| 1460 |
+
A "C4'" "O4'" sing N N 11
|
| 1461 |
+
A "C4'" "C3'" sing N N 12
|
| 1462 |
+
A "C4'" "H4'" sing N N 13
|
| 1463 |
+
A "O4'" "C1'" sing N N 14
|
| 1464 |
+
A "C3'" "O3'" sing N N 15
|
| 1465 |
+
A "C3'" "C2'" sing N N 16
|
| 1466 |
+
A "C3'" "H3'" sing N N 17
|
| 1467 |
+
A "O3'" "HO3'" sing N N 18
|
| 1468 |
+
A "C2'" "O2'" sing N N 19
|
| 1469 |
+
A "C2'" "C1'" sing N N 20
|
| 1470 |
+
A "C2'" "H2'" sing N N 21
|
| 1471 |
+
A "O2'" "HO2'" sing N N 22
|
| 1472 |
+
A "C1'" N9 sing N N 23
|
| 1473 |
+
A "C1'" "H1'" sing N N 24
|
| 1474 |
+
A N9 C8 sing Y N 25
|
| 1475 |
+
A N9 C4 sing Y N 26
|
| 1476 |
+
A C8 N7 doub Y N 27
|
| 1477 |
+
A C8 H8 sing N N 28
|
| 1478 |
+
A N7 C5 sing Y N 29
|
| 1479 |
+
A C5 C6 sing Y N 30
|
| 1480 |
+
A C5 C4 doub Y N 31
|
| 1481 |
+
A C6 N6 sing N N 32
|
| 1482 |
+
A C6 N1 doub Y N 33
|
| 1483 |
+
A N6 H61 sing N N 34
|
| 1484 |
+
A N6 H62 sing N N 35
|
| 1485 |
+
A N1 C2 sing Y N 36
|
| 1486 |
+
A C2 N3 doub Y N 37
|
| 1487 |
+
A C2 H2 sing N N 38
|
| 1488 |
+
A N3 C4 sing Y N 39
|
| 1489 |
+
G OP3 P sing N N 40
|
| 1490 |
+
G OP3 HOP3 sing N N 41
|
| 1491 |
+
G P OP1 doub N N 42
|
| 1492 |
+
G P OP2 sing N N 43
|
| 1493 |
+
G P "O5'" sing N N 44
|
| 1494 |
+
G OP2 HOP2 sing N N 45
|
| 1495 |
+
G "O5'" "C5'" sing N N 46
|
| 1496 |
+
G "C5'" "C4'" sing N N 47
|
| 1497 |
+
G "C5'" "H5'" sing N N 48
|
| 1498 |
+
G "C5'" "H5''" sing N N 49
|
| 1499 |
+
G "C4'" "O4'" sing N N 50
|
| 1500 |
+
G "C4'" "C3'" sing N N 51
|
| 1501 |
+
G "C4'" "H4'" sing N N 52
|
| 1502 |
+
G "O4'" "C1'" sing N N 53
|
| 1503 |
+
G "C3'" "O3'" sing N N 54
|
| 1504 |
+
G "C3'" "C2'" sing N N 55
|
| 1505 |
+
G "C3'" "H3'" sing N N 56
|
| 1506 |
+
G "O3'" "HO3'" sing N N 57
|
| 1507 |
+
G "C2'" "O2'" sing N N 58
|
| 1508 |
+
G "C2'" "C1'" sing N N 59
|
| 1509 |
+
G "C2'" "H2'" sing N N 60
|
| 1510 |
+
G "O2'" "HO2'" sing N N 61
|
| 1511 |
+
G "C1'" N9 sing N N 62
|
| 1512 |
+
G "C1'" "H1'" sing N N 63
|
| 1513 |
+
G N9 C8 sing Y N 64
|
| 1514 |
+
G N9 C4 sing Y N 65
|
| 1515 |
+
G C8 N7 doub Y N 66
|
| 1516 |
+
G C8 H8 sing N N 67
|
| 1517 |
+
G N7 C5 sing Y N 68
|
| 1518 |
+
G C5 C6 sing N N 69
|
| 1519 |
+
G C5 C4 doub Y N 70
|
| 1520 |
+
G C6 O6 doub N N 71
|
| 1521 |
+
G C6 N1 sing N N 72
|
| 1522 |
+
G N1 C2 sing N N 73
|
| 1523 |
+
G N1 H1 sing N N 74
|
| 1524 |
+
G C2 N2 sing N N 75
|
| 1525 |
+
G C2 N3 doub N N 76
|
| 1526 |
+
G N2 H21 sing N N 77
|
| 1527 |
+
G N2 H22 sing N N 78
|
| 1528 |
+
G N3 C4 sing N N 79
|
| 1529 |
+
HOH O H1 sing N N 80
|
| 1530 |
+
HOH O H2 sing N N 81
|
| 1531 |
+
R14 CAX CAA sing N N 82
|
| 1532 |
+
R14 CAA HAA sing N N 83
|
| 1533 |
+
R14 CAA HAAA sing N N 84
|
| 1534 |
+
R14 CAA HAAB sing N N 85
|
| 1535 |
+
R14 CAY CAB sing N N 86
|
| 1536 |
+
R14 CAB HAB sing N N 87
|
| 1537 |
+
R14 CAB HABA sing N N 88
|
| 1538 |
+
R14 CAB HABB sing N N 89
|
| 1539 |
+
R14 CAC CAZ sing N N 90
|
| 1540 |
+
R14 CAC HAC sing N N 91
|
| 1541 |
+
R14 CAC HACA sing N N 92
|
| 1542 |
+
R14 CAC HACB sing N N 93
|
| 1543 |
+
R14 CAD CBA sing N N 94
|
| 1544 |
+
R14 CAD HAD sing N N 95
|
| 1545 |
+
R14 CAD HADA sing N N 96
|
| 1546 |
+
R14 CAD HADB sing N N 97
|
| 1547 |
+
R14 OAE CBM doub N N 98
|
| 1548 |
+
R14 CBN OAF doub N N 99
|
| 1549 |
+
R14 CAK CAG doub Y N 100
|
| 1550 |
+
R14 CAG CAI sing Y N 101
|
| 1551 |
+
R14 CAG HAG sing N N 102
|
| 1552 |
+
R14 CAJ CAH doub Y N 103
|
| 1553 |
+
R14 CAH CAL sing Y N 104
|
| 1554 |
+
R14 CAH HAH sing N N 105
|
| 1555 |
+
R14 CAI CBO doub Y N 106
|
| 1556 |
+
R14 CAI HAI sing N N 107
|
| 1557 |
+
R14 CBP CAJ sing Y N 108
|
| 1558 |
+
R14 CAJ HAJ sing N N 109
|
| 1559 |
+
R14 CAK CBQ sing Y N 110
|
| 1560 |
+
R14 CAK HAK sing N N 111
|
| 1561 |
+
R14 CBR CAL doub Y N 112
|
| 1562 |
+
R14 CAL HAL sing N N 113
|
| 1563 |
+
R14 CAO CAM doub Y N 114
|
| 1564 |
+
R14 CAM CBS sing Y N 115
|
| 1565 |
+
R14 CAM HAM sing N N 116
|
| 1566 |
+
R14 CAN CBT doub Y N 117
|
| 1567 |
+
R14 CAN CAP sing Y N 118
|
| 1568 |
+
R14 CAN HAN sing N N 119
|
| 1569 |
+
R14 CBW CAO sing Y N 120
|
| 1570 |
+
R14 CAO HAO sing N N 121
|
| 1571 |
+
R14 CAP CBX doub Y N 122
|
| 1572 |
+
R14 CAP HAP sing N N 123
|
| 1573 |
+
R14 CBQ CAQ doub Y N 124
|
| 1574 |
+
R14 CAQ CBO sing Y N 125
|
| 1575 |
+
R14 CAQ HAQ sing N N 126
|
| 1576 |
+
R14 CBP CAR doub Y N 127
|
| 1577 |
+
R14 CAR CBR sing Y N 128
|
| 1578 |
+
R14 CAR HAR sing N N 129
|
| 1579 |
+
R14 CBY CAS sing Y N 130
|
| 1580 |
+
R14 CAS CBS doub Y N 131
|
| 1581 |
+
R14 CAS HAS sing N N 132
|
| 1582 |
+
R14 CBT CAT sing Y N 133
|
| 1583 |
+
R14 CAT CBZ doub Y N 134
|
| 1584 |
+
R14 CAT HAT sing N N 135
|
| 1585 |
+
R14 CBX CAU sing Y N 136
|
| 1586 |
+
R14 CAU CBW doub Y N 137
|
| 1587 |
+
R14 CAU HAU sing N N 138
|
| 1588 |
+
R14 NCC CAV sing Y N 139
|
| 1589 |
+
R14 CAV CBU doub Y N 140
|
| 1590 |
+
R14 CAV HAV sing N N 141
|
| 1591 |
+
R14 CBV CAW doub Y N 142
|
| 1592 |
+
R14 NCD CAW sing Y N 143
|
| 1593 |
+
R14 CAW HAW sing N N 144
|
| 1594 |
+
R14 NCA CAX sing N N 145
|
| 1595 |
+
R14 CAX HAX sing N N 146
|
| 1596 |
+
R14 CAX HAXA sing N N 147
|
| 1597 |
+
R14 CAY NCA sing N N 148
|
| 1598 |
+
R14 CAY HAY sing N N 149
|
| 1599 |
+
R14 CAY HAYA sing N N 150
|
| 1600 |
+
R14 CAZ NCB sing N N 151
|
| 1601 |
+
R14 CAZ HAZ sing N N 152
|
| 1602 |
+
R14 CAZ HAZA sing N N 153
|
| 1603 |
+
R14 NCB CBA sing N N 154
|
| 1604 |
+
R14 CBA HBA sing N N 155
|
| 1605 |
+
R14 CBA HBAA sing N N 156
|
| 1606 |
+
R14 CBM CBB sing N N 157
|
| 1607 |
+
R14 CBB CBD sing N N 158
|
| 1608 |
+
R14 CBB HBB sing N N 159
|
| 1609 |
+
R14 CBB HBBA sing N N 160
|
| 1610 |
+
R14 CBE CBC sing N N 161
|
| 1611 |
+
R14 CBC CBN sing N N 162
|
| 1612 |
+
R14 CBC HBC sing N N 163
|
| 1613 |
+
R14 CBC HBCA sing N N 164
|
| 1614 |
+
R14 CBD NCA sing N N 165
|
| 1615 |
+
R14 CBD HBD sing N N 166
|
| 1616 |
+
R14 CBD HBDA sing N N 167
|
| 1617 |
+
R14 NCB CBE sing N N 168
|
| 1618 |
+
R14 CBE HBE sing N N 169
|
| 1619 |
+
R14 CBE HBEA sing N N 170
|
| 1620 |
+
R14 NBH NBF doub Y N 171
|
| 1621 |
+
R14 CBU NBF sing Y N 172
|
| 1622 |
+
R14 NBG NBI doub Y N 173
|
| 1623 |
+
R14 NBG CBV sing Y N 174
|
| 1624 |
+
R14 NCC NBH sing Y N 175
|
| 1625 |
+
R14 NBI NCD sing Y N 176
|
| 1626 |
+
R14 CBZ NBJ sing Y N 177
|
| 1627 |
+
R14 NBJ CBY doub Y N 178
|
| 1628 |
+
R14 CBO NBK sing N N 179
|
| 1629 |
+
R14 NBK CBM sing N N 180
|
| 1630 |
+
R14 NBK HNBK sing N N 181
|
| 1631 |
+
R14 CBN NBL sing N N 182
|
| 1632 |
+
R14 NBL CBP sing N N 183
|
| 1633 |
+
R14 NBL HNBL sing N N 184
|
| 1634 |
+
R14 CBU CBQ sing Y N 185
|
| 1635 |
+
R14 CBR CBV sing Y N 186
|
| 1636 |
+
R14 CBS NCC sing Y N 187
|
| 1637 |
+
R14 NCD CBT sing Y N 188
|
| 1638 |
+
R14 CBW CBY sing Y N 189
|
| 1639 |
+
R14 CBX CBZ sing Y N 190
|
| 1640 |
+
U OP3 P sing N N 191
|
| 1641 |
+
U OP3 HOP3 sing N N 192
|
| 1642 |
+
U P OP1 doub N N 193
|
| 1643 |
+
U P OP2 sing N N 194
|
| 1644 |
+
U P "O5'" sing N N 195
|
| 1645 |
+
U OP2 HOP2 sing N N 196
|
| 1646 |
+
U "O5'" "C5'" sing N N 197
|
| 1647 |
+
U "C5'" "C4'" sing N N 198
|
| 1648 |
+
U "C5'" "H5'" sing N N 199
|
| 1649 |
+
U "C5'" "H5''" sing N N 200
|
| 1650 |
+
U "C4'" "O4'" sing N N 201
|
| 1651 |
+
U "C4'" "C3'" sing N N 202
|
| 1652 |
+
U "C4'" "H4'" sing N N 203
|
| 1653 |
+
U "O4'" "C1'" sing N N 204
|
| 1654 |
+
U "C3'" "O3'" sing N N 205
|
| 1655 |
+
U "C3'" "C2'" sing N N 206
|
| 1656 |
+
U "C3'" "H3'" sing N N 207
|
| 1657 |
+
U "O3'" "HO3'" sing N N 208
|
| 1658 |
+
U "C2'" "O2'" sing N N 209
|
| 1659 |
+
U "C2'" "C1'" sing N N 210
|
| 1660 |
+
U "C2'" "H2'" sing N N 211
|
| 1661 |
+
U "O2'" "HO2'" sing N N 212
|
| 1662 |
+
U "C1'" N1 sing N N 213
|
| 1663 |
+
U "C1'" "H1'" sing N N 214
|
| 1664 |
+
U N1 C2 sing N N 215
|
| 1665 |
+
U N1 C6 sing N N 216
|
| 1666 |
+
U C2 O2 doub N N 217
|
| 1667 |
+
U C2 N3 sing N N 218
|
| 1668 |
+
U N3 C4 sing N N 219
|
| 1669 |
+
U N3 H3 sing N N 220
|
| 1670 |
+
U C4 O4 doub N N 221
|
| 1671 |
+
U C4 C5 sing N N 222
|
| 1672 |
+
U C5 C6 doub N N 223
|
| 1673 |
+
U C5 H5 sing N N 224
|
| 1674 |
+
U C6 H6 sing N N 225
|
| 1675 |
+
#
|
| 1676 |
+
loop_
|
| 1677 |
+
_ndb_struct_conf_na.entry_id
|
| 1678 |
+
_ndb_struct_conf_na.feature
|
| 1679 |
+
3MIJ 'double helix'
|
| 1680 |
+
3MIJ 'parallel strands'
|
| 1681 |
+
3MIJ 'mismatched base pair'
|
| 1682 |
+
#
|
| 1683 |
+
loop_
|
| 1684 |
+
_ndb_struct_na_base_pair.model_number
|
| 1685 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1686 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1687 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1688 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1689 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1690 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1691 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1692 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1693 |
+
_ndb_struct_na_base_pair.shear
|
| 1694 |
+
_ndb_struct_na_base_pair.stretch
|
| 1695 |
+
_ndb_struct_na_base_pair.stagger
|
| 1696 |
+
_ndb_struct_na_base_pair.buckle
|
| 1697 |
+
_ndb_struct_na_base_pair.propeller
|
| 1698 |
+
_ndb_struct_na_base_pair.opening
|
| 1699 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1700 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1701 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1702 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1703 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1704 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1705 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1706 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1707 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1708 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1709 |
+
1 A G 3 1_555 A G 9 1_555 1.799 3.439 0.266 -7.931 2.474 -88.368 1 A_G3:G9_A A 3 ? A 9 ? 6 3
|
| 1710 |
+
1 A G 4 1_555 A G 10 1_555 1.653 3.863 0.510 -8.953 -0.269 -87.937 2 A_G4:G10_A A 4 ? A 10 ? 6 3
|
| 1711 |
+
1 A G 5 1_555 A G 11 1_555 1.793 3.246 -0.011 6.900 -9.546 -92.780 3 A_G5:G11_A A 5 ? A 11 ? 6 3
|
| 1712 |
+
#
|
| 1713 |
+
loop_
|
| 1714 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1715 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1716 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1717 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1718 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1719 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1720 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1721 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1722 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1723 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1724 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1725 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1726 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1727 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1728 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1729 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1730 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1731 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1732 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1733 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1734 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1735 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1736 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1737 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1738 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1739 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1740 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1741 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1742 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1743 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1744 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1745 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1746 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1747 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1748 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1749 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1750 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1751 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1752 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1753 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1754 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1755 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1756 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1757 |
+
1 A G 3 1_555 A G 9 1_555 A G 4 1_555 A G 10 1_555 -0.427 -1.320 3.171 2.164 -0.788 30.571 -2.346 1.220 3.166 -1.492 -4.097
|
| 1758 |
+
30.656 1 AA_G3G4:G10G9_AA A 3 ? A 9 ? A 4 ? A 10 ?
|
| 1759 |
+
1 A G 4 1_555 A G 10 1_555 A G 5 1_555 A G 11 1_555 -0.321 -0.862 2.901 8.836 4.613 26.731 -2.648 2.372 2.490 9.565 -18.321
|
| 1760 |
+
28.497 2 AA_G4G5:G11G10_AA A 4 ? A 10 ? A 5 ? A 11 ?
|
| 1761 |
+
#
|
| 1762 |
+
loop_
|
| 1763 |
+
_pdbx_entity_nonpoly.entity_id
|
| 1764 |
+
_pdbx_entity_nonpoly.name
|
| 1765 |
+
_pdbx_entity_nonpoly.comp_id
|
| 1766 |
+
2 'POTASSIUM ION' K
|
| 1767 |
+
3 "N,N'-[acridine-3,6-diylbis(1H-1,2,3-triazole-1,4-diylbenzene-3,1-diyl)]bis[3-(diethylamino)propanamide]" R14
|
| 1768 |
+
4 water HOH
|
| 1769 |
+
#
|
| 1770 |
+
_pdbx_initial_refinement_model.id 1
|
| 1771 |
+
_pdbx_initial_refinement_model.entity_id_list ?
|
| 1772 |
+
_pdbx_initial_refinement_model.type 'experimental model'
|
| 1773 |
+
_pdbx_initial_refinement_model.source_name PDB
|
| 1774 |
+
_pdbx_initial_refinement_model.accession_code 3IBK
|
| 1775 |
+
_pdbx_initial_refinement_model.details 'PDB ID 3IBK'
|
| 1776 |
+
#
|
structures/3s7c.cif
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structures/3v11.cif
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|
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|
structures/3zgz.cif
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|
structures/4fau.cif
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|
structures/4ftb.cif
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|
structures/4jxz.cif
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|
structures/4m30.cif
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|
structures/4o26.cif
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|
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|
|
structures/4w5q.cif
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|
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|
|
structures/5axn.cif
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|
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|
|
|
structures/5b2r.cif
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|
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|
|
|
structures/5g4v.cif
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|
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|
|
|
structures/5i9h.cif
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|
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|
|
structures/5y36.cif
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|
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|
|
structures/6e1t.cif
ADDED
|
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|
|
structures/6e1u.cif
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|
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|
|
structures/6i3p.cif
ADDED
|
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|
|