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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
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21
+ _pdbx_audit_revision_history.minor_revision
22
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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
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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
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203
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204
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205
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206
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207
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208
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209
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210
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211
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212
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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
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+ _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
+ #
structures/2ykr.cif ADDED
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structures/3fo6.cif ADDED
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structures/3hox.cif ADDED
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structures/3j7a.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/3mij.cif ADDED
@@ -0,0 +1,1776 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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 ADDED
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