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1
+ data_1I4C
2
+ #
3
+ _entry.id 1I4C
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 1I4C pdb_00001i4c 10.2210/pdb1i4c/pdb
15
+ RCSB RCSB012887 ? ?
16
+ WWPDB D_1000012887 ? ?
17
+ #
18
+ loop_
19
+ _pdbx_audit_revision_history.ordinal
20
+ _pdbx_audit_revision_history.data_content_type
21
+ _pdbx_audit_revision_history.major_revision
22
+ _pdbx_audit_revision_history.minor_revision
23
+ _pdbx_audit_revision_history.revision_date
24
+ 1 'Structure model' 1 0 2001-04-21
25
+ 2 'Structure model' 1 1 2008-04-27
26
+ 3 'Structure model' 1 2 2011-07-13
27
+ 4 'Structure model' 2 0 2022-02-23
28
+ 5 'Structure model' 2 1 2024-05-22
29
+ #
30
+ _pdbx_audit_revision_details.ordinal 1
31
+ _pdbx_audit_revision_details.revision_ordinal 1
32
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
33
+ _pdbx_audit_revision_details.provider repository
34
+ _pdbx_audit_revision_details.type 'Initial release'
35
+ _pdbx_audit_revision_details.description ?
36
+ _pdbx_audit_revision_details.details ?
37
+ #
38
+ loop_
39
+ _pdbx_audit_revision_group.ordinal
40
+ _pdbx_audit_revision_group.revision_ordinal
41
+ _pdbx_audit_revision_group.data_content_type
42
+ _pdbx_audit_revision_group.group
43
+ 1 2 'Structure model' 'Version format compliance'
44
+ 2 3 'Structure model' 'Version format compliance'
45
+ 3 4 'Structure model' 'Atomic model'
46
+ 4 4 'Structure model' 'Data collection'
47
+ 5 4 'Structure model' 'Database references'
48
+ 6 4 'Structure model' 'Derived calculations'
49
+ 7 5 'Structure model' 'Data collection'
50
+ #
51
+ loop_
52
+ _pdbx_audit_revision_category.ordinal
53
+ _pdbx_audit_revision_category.revision_ordinal
54
+ _pdbx_audit_revision_category.data_content_type
55
+ _pdbx_audit_revision_category.category
56
+ 1 4 'Structure model' atom_site
57
+ 2 4 'Structure model' database_2
58
+ 3 4 'Structure model' pdbx_nmr_software
59
+ 4 4 'Structure model' pdbx_nmr_spectrometer
60
+ 5 4 'Structure model' pdbx_struct_assembly
61
+ 6 4 'Structure model' pdbx_struct_oper_list
62
+ 7 5 'Structure model' chem_comp_atom
63
+ 8 5 'Structure model' chem_comp_bond
64
+ #
65
+ loop_
66
+ _pdbx_audit_revision_item.ordinal
67
+ _pdbx_audit_revision_item.revision_ordinal
68
+ _pdbx_audit_revision_item.data_content_type
69
+ _pdbx_audit_revision_item.item
70
+ 1 4 'Structure model' '_atom_site.B_iso_or_equiv'
71
+ 2 4 'Structure model' '_atom_site.Cartn_x'
72
+ 3 4 'Structure model' '_atom_site.Cartn_y'
73
+ 4 4 'Structure model' '_atom_site.Cartn_z'
74
+ 5 4 'Structure model' '_atom_site.auth_atom_id'
75
+ 6 4 'Structure model' '_atom_site.label_atom_id'
76
+ 7 4 'Structure model' '_database_2.pdbx_DOI'
77
+ 8 4 'Structure model' '_database_2.pdbx_database_accession'
78
+ 9 4 'Structure model' '_pdbx_nmr_software.name'
79
+ 10 4 'Structure model' '_pdbx_nmr_spectrometer.model'
80
+ #
81
+ _database_PDB_caveat.id 1
82
+ _database_PDB_caveat.text 'incorrect carbon chiral center(s)'
83
+ #
84
+ _pdbx_database_status.status_code REL
85
+ _pdbx_database_status.entry_id 1I4C
86
+ _pdbx_database_status.recvd_initial_deposition_date 2001-02-20
87
+ _pdbx_database_status.deposit_site RCSB
88
+ _pdbx_database_status.process_site RCSB
89
+ _pdbx_database_status.status_code_mr REL
90
+ _pdbx_database_status.SG_entry .
91
+ _pdbx_database_status.pdb_format_compatible Y
92
+ _pdbx_database_status.status_code_sf ?
93
+ _pdbx_database_status.status_code_cs ?
94
+ _pdbx_database_status.status_code_nmr_data ?
95
+ _pdbx_database_status.methods_development_category ?
96
+ #
97
+ loop_
98
+ _pdbx_database_related.db_name
99
+ _pdbx_database_related.db_id
100
+ _pdbx_database_related.details
101
+ _pdbx_database_related.content_type
102
+ PDB 1ESH
103
+ ;the solution structure of the wild type stem loop C 5'AUA3' triloop of Brome Mosaic Virus (+) RNA.
104
+ ;
105
+ unspecified
106
+ PDB 1I46
107
+ ;the solution structure of the mutant stem loop C 5'GUA3' triloop of Brome Mosaic Virus (+) RNA
108
+ ;
109
+ unspecified
110
+ PDB 1I4B
111
+ ;the solution structure of the major family of the mutant stem loop C 5'UUA3' triloop of Brome Mosaic Virus (+) RNA
112
+ ;
113
+ unspecified
114
+ #
115
+ loop_
116
+ _audit_author.name
117
+ _audit_author.pdbx_ordinal
118
+ 'Tinoco Jr., I.' 1
119
+ 'Kim, C.-H.' 2
120
+ #
121
+ loop_
122
+ _citation.id
123
+ _citation.title
124
+ _citation.journal_abbrev
125
+ _citation.journal_volume
126
+ _citation.page_first
127
+ _citation.page_last
128
+ _citation.year
129
+ _citation.journal_id_ASTM
130
+ _citation.country
131
+ _citation.journal_id_ISSN
132
+ _citation.journal_id_CSD
133
+ _citation.book_publisher
134
+ _citation.pdbx_database_id_PubMed
135
+ _citation.pdbx_database_id_DOI
136
+ primary
137
+ 'Structural and thermodynamic studies on mutant RNA motifs that impair the specificity between a viral replicase and its promoter.'
138
+ J.Mol.Biol. 307 827 839 2001 JMOBAK UK 0022-2836 0070 ? 11273704 10.1006/jmbi.2001.4497
139
+ 1 'RNA motifs that determine specificity between a viral replicase and its promoter' Nat.Struct.Biol. 7 415 423 2000
140
+ NSBIEW US 1072-8368 2024 ? ? 10.1038/75202
141
+ #
142
+ loop_
143
+ _citation_author.citation_id
144
+ _citation_author.name
145
+ _citation_author.ordinal
146
+ _citation_author.identifier_ORCID
147
+ primary 'Kim, C.H.' 1 ?
148
+ primary 'Tinoco Jr., I.' 2 ?
149
+ 1 'Kao, C.C.' 3 ?
150
+ #
151
+ _entity.id 1
152
+ _entity.type polymer
153
+ _entity.src_method syn
154
+ _entity.pdbx_description
155
+ ;RNA (5'-R(*GP*GP*UP*GP*CP*UP*UP*AP*GP*CP*AP*CP*C)-3')
156
+ ;
157
+ _entity.formula_weight 4133.501
158
+ _entity.pdbx_number_of_molecules 1
159
+ _entity.pdbx_ec ?
160
+ _entity.pdbx_mutation ?
161
+ _entity.pdbx_fragment ?
162
+ _entity.details
163
+ ;THE MINOR STRUCTURAL FAMILY OF 5'UUA3' MUTANT TRILOOP.
164
+ ;
165
+ #
166
+ _entity_poly.entity_id 1
167
+ _entity_poly.type polyribonucleotide
168
+ _entity_poly.nstd_linkage no
169
+ _entity_poly.nstd_monomer no
170
+ _entity_poly.pdbx_seq_one_letter_code GGUGCUUAGCACC
171
+ _entity_poly.pdbx_seq_one_letter_code_can GGUGCUUAGCACC
172
+ _entity_poly.pdbx_strand_id A
173
+ _entity_poly.pdbx_target_identifier ?
174
+ #
175
+ loop_
176
+ _entity_poly_seq.entity_id
177
+ _entity_poly_seq.num
178
+ _entity_poly_seq.mon_id
179
+ _entity_poly_seq.hetero
180
+ 1 1 G n
181
+ 1 2 G n
182
+ 1 3 U n
183
+ 1 4 G n
184
+ 1 5 C n
185
+ 1 6 U n
186
+ 1 7 U n
187
+ 1 8 A n
188
+ 1 9 G n
189
+ 1 10 C n
190
+ 1 11 A n
191
+ 1 12 C n
192
+ 1 13 C n
193
+ #
194
+ _pdbx_entity_src_syn.entity_id 1
195
+ _pdbx_entity_src_syn.pdbx_src_id 1
196
+ _pdbx_entity_src_syn.pdbx_alt_source_flag sample
197
+ _pdbx_entity_src_syn.pdbx_beg_seq_num ?
198
+ _pdbx_entity_src_syn.pdbx_end_seq_num ?
199
+ _pdbx_entity_src_syn.organism_scientific ?
200
+ _pdbx_entity_src_syn.organism_common_name ?
201
+ _pdbx_entity_src_syn.ncbi_taxonomy_id ?
202
+ _pdbx_entity_src_syn.details
203
+ 'This sequence is a mutant triloop of which wild type sequence is naturally occured in BMV (+) strand RNA'
204
+ #
205
+ loop_
206
+ _chem_comp.id
207
+ _chem_comp.type
208
+ _chem_comp.mon_nstd_flag
209
+ _chem_comp.name
210
+ _chem_comp.pdbx_synonyms
211
+ _chem_comp.formula
212
+ _chem_comp.formula_weight
213
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
214
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
215
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
216
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
217
+ #
218
+ loop_
219
+ _pdbx_poly_seq_scheme.asym_id
220
+ _pdbx_poly_seq_scheme.entity_id
221
+ _pdbx_poly_seq_scheme.seq_id
222
+ _pdbx_poly_seq_scheme.mon_id
223
+ _pdbx_poly_seq_scheme.ndb_seq_num
224
+ _pdbx_poly_seq_scheme.pdb_seq_num
225
+ _pdbx_poly_seq_scheme.auth_seq_num
226
+ _pdbx_poly_seq_scheme.pdb_mon_id
227
+ _pdbx_poly_seq_scheme.auth_mon_id
228
+ _pdbx_poly_seq_scheme.pdb_strand_id
229
+ _pdbx_poly_seq_scheme.pdb_ins_code
230
+ _pdbx_poly_seq_scheme.hetero
231
+ A 1 1 G 1 1 1 G G A . n
232
+ A 1 2 G 2 2 2 G G A . n
233
+ A 1 3 U 3 3 3 U U A . n
234
+ A 1 4 G 4 4 4 G G A . n
235
+ A 1 5 C 5 5 5 C C A . n
236
+ A 1 6 U 6 6 6 U U A . n
237
+ A 1 7 U 7 7 7 U U A . n
238
+ A 1 8 A 8 8 8 A A A . n
239
+ A 1 9 G 9 9 9 G G A . n
240
+ A 1 10 C 10 10 10 C C A . n
241
+ A 1 11 A 11 11 11 A A A . n
242
+ A 1 12 C 12 12 12 C C A . n
243
+ A 1 13 C 13 13 13 C C A . n
244
+ #
245
+ _cell.entry_id 1I4C
246
+ _cell.length_a 1.000
247
+ _cell.length_b 1.000
248
+ _cell.length_c 1.000
249
+ _cell.angle_alpha 90.00
250
+ _cell.angle_beta 90.00
251
+ _cell.angle_gamma 90.00
252
+ _cell.Z_PDB 1
253
+ _cell.pdbx_unique_axis ?
254
+ #
255
+ _symmetry.entry_id 1I4C
256
+ _symmetry.space_group_name_H-M 'P 1'
257
+ _symmetry.pdbx_full_space_group_name_H-M ?
258
+ _symmetry.cell_setting ?
259
+ _symmetry.Int_Tables_number 1
260
+ #
261
+ _exptl.entry_id 1I4C
262
+ _exptl.method 'SOLUTION NMR'
263
+ _exptl.crystals_number ?
264
+ #
265
+ _database_PDB_matrix.entry_id 1I4C
266
+ _database_PDB_matrix.origx[1][1] 1.000000
267
+ _database_PDB_matrix.origx[1][2] 0.000000
268
+ _database_PDB_matrix.origx[1][3] 0.000000
269
+ _database_PDB_matrix.origx[2][1] 0.000000
270
+ _database_PDB_matrix.origx[2][2] 1.000000
271
+ _database_PDB_matrix.origx[2][3] 0.000000
272
+ _database_PDB_matrix.origx[3][1] 0.000000
273
+ _database_PDB_matrix.origx[3][2] 0.000000
274
+ _database_PDB_matrix.origx[3][3] 1.000000
275
+ _database_PDB_matrix.origx_vector[1] 0.00000
276
+ _database_PDB_matrix.origx_vector[2] 0.00000
277
+ _database_PDB_matrix.origx_vector[3] 0.00000
278
+ #
279
+ _struct.entry_id 1I4C
280
+ _struct.title
281
+ ;THE SOLUTION STRUCTURE OF THE MINOR FAMILY OF THE MUTANT STEM LOOP C 5'UUA3' TRILOOP OF BROME MOSAIC VIRUS (+) STRAND RNA
282
+ ;
283
+ _struct.pdbx_model_details ?
284
+ _struct.pdbx_CASP_flag ?
285
+ _struct.pdbx_model_type_details 'minimized average'
286
+ #
287
+ _struct_keywords.entry_id 1I4C
288
+ _struct_keywords.pdbx_keywords RNA
289
+ _struct_keywords.text 'RNA, Stem-loop, Triloop, replication, BMV, Virus'
290
+ #
291
+ _struct_asym.id A
292
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
293
+ _struct_asym.pdbx_modified N
294
+ _struct_asym.entity_id 1
295
+ _struct_asym.details ?
296
+ #
297
+ _struct_ref.id 1
298
+ _struct_ref.entity_id 1
299
+ _struct_ref.db_name PDB
300
+ _struct_ref.db_code 1I4C
301
+ _struct_ref.pdbx_db_accession 1I4C
302
+ _struct_ref.pdbx_db_isoform ?
303
+ _struct_ref.pdbx_seq_one_letter_code ?
304
+ _struct_ref.pdbx_align_begin ?
305
+ #
306
+ _struct_ref_seq.align_id 1
307
+ _struct_ref_seq.ref_id 1
308
+ _struct_ref_seq.pdbx_PDB_id_code 1I4C
309
+ _struct_ref_seq.pdbx_strand_id A
310
+ _struct_ref_seq.seq_align_beg 1
311
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
312
+ _struct_ref_seq.seq_align_end 13
313
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
314
+ _struct_ref_seq.pdbx_db_accession 1I4C
315
+ _struct_ref_seq.db_align_beg 1
316
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
317
+ _struct_ref_seq.db_align_end 13
318
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
319
+ _struct_ref_seq.pdbx_auth_seq_align_beg 1
320
+ _struct_ref_seq.pdbx_auth_seq_align_end 13
321
+ #
322
+ _pdbx_struct_assembly.id 1
323
+ _pdbx_struct_assembly.details author_defined_assembly
324
+ _pdbx_struct_assembly.method_details ?
325
+ _pdbx_struct_assembly.oligomeric_details monomeric
326
+ _pdbx_struct_assembly.oligomeric_count 1
327
+ #
328
+ _pdbx_struct_assembly_gen.assembly_id 1
329
+ _pdbx_struct_assembly_gen.oper_expression 1
330
+ _pdbx_struct_assembly_gen.asym_id_list A
331
+ #
332
+ _pdbx_struct_oper_list.id 1
333
+ _pdbx_struct_oper_list.type 'identity operation'
334
+ _pdbx_struct_oper_list.name 1_555
335
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
336
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
337
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
338
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
339
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
340
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
341
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
342
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
343
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
344
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
345
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
346
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
347
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
348
+ #
349
+ _struct_biol.id 1
350
+ #
351
+ loop_
352
+ _struct_conn.id
353
+ _struct_conn.conn_type_id
354
+ _struct_conn.pdbx_leaving_atom_flag
355
+ _struct_conn.pdbx_PDB_id
356
+ _struct_conn.ptnr1_label_asym_id
357
+ _struct_conn.ptnr1_label_comp_id
358
+ _struct_conn.ptnr1_label_seq_id
359
+ _struct_conn.ptnr1_label_atom_id
360
+ _struct_conn.pdbx_ptnr1_label_alt_id
361
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
362
+ _struct_conn.pdbx_ptnr1_standard_comp_id
363
+ _struct_conn.ptnr1_symmetry
364
+ _struct_conn.ptnr2_label_asym_id
365
+ _struct_conn.ptnr2_label_comp_id
366
+ _struct_conn.ptnr2_label_seq_id
367
+ _struct_conn.ptnr2_label_atom_id
368
+ _struct_conn.pdbx_ptnr2_label_alt_id
369
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
370
+ _struct_conn.ptnr1_auth_asym_id
371
+ _struct_conn.ptnr1_auth_comp_id
372
+ _struct_conn.ptnr1_auth_seq_id
373
+ _struct_conn.ptnr2_auth_asym_id
374
+ _struct_conn.ptnr2_auth_comp_id
375
+ _struct_conn.ptnr2_auth_seq_id
376
+ _struct_conn.ptnr2_symmetry
377
+ _struct_conn.pdbx_ptnr3_label_atom_id
378
+ _struct_conn.pdbx_ptnr3_label_seq_id
379
+ _struct_conn.pdbx_ptnr3_label_comp_id
380
+ _struct_conn.pdbx_ptnr3_label_asym_id
381
+ _struct_conn.pdbx_ptnr3_label_alt_id
382
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
383
+ _struct_conn.details
384
+ _struct_conn.pdbx_dist_value
385
+ _struct_conn.pdbx_value_order
386
+ _struct_conn.pdbx_role
387
+ hydrog1 hydrog ? ? A G 1 N1 ? ? ? 1_555 A C 13 N3 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
388
+ hydrog2 hydrog ? ? A G 1 N2 ? ? ? 1_555 A C 13 O2 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
389
+ hydrog3 hydrog ? ? A G 1 O6 ? ? ? 1_555 A C 13 N4 ? ? A G 1 A C 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
390
+ hydrog4 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 12 N3 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
391
+ hydrog5 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 12 O2 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
392
+ hydrog6 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 12 N4 ? ? A G 2 A C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
393
+ hydrog7 hydrog ? ? A U 3 N3 ? ? ? 1_555 A A 11 N1 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
394
+ hydrog8 hydrog ? ? A U 3 O4 ? ? ? 1_555 A A 11 N6 ? ? A U 3 A A 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
395
+ hydrog9 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 10 N3 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
396
+ hydrog10 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 10 O2 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
397
+ hydrog11 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 10 N4 ? ? A G 4 A C 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
398
+ hydrog12 hydrog ? ? A C 5 N3 ? ? ? 1_555 A G 9 N1 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
399
+ hydrog13 hydrog ? ? A C 5 N4 ? ? ? 1_555 A G 9 O6 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
400
+ hydrog14 hydrog ? ? A C 5 O2 ? ? ? 1_555 A G 9 N2 ? ? A C 5 A G 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
401
+ #
402
+ _struct_conn_type.id hydrog
403
+ _struct_conn_type.criteria ?
404
+ _struct_conn_type.reference ?
405
+ #
406
+ loop_
407
+ _pdbx_validate_close_contact.id
408
+ _pdbx_validate_close_contact.PDB_model_num
409
+ _pdbx_validate_close_contact.auth_atom_id_1
410
+ _pdbx_validate_close_contact.auth_asym_id_1
411
+ _pdbx_validate_close_contact.auth_comp_id_1
412
+ _pdbx_validate_close_contact.auth_seq_id_1
413
+ _pdbx_validate_close_contact.PDB_ins_code_1
414
+ _pdbx_validate_close_contact.label_alt_id_1
415
+ _pdbx_validate_close_contact.auth_atom_id_2
416
+ _pdbx_validate_close_contact.auth_asym_id_2
417
+ _pdbx_validate_close_contact.auth_comp_id_2
418
+ _pdbx_validate_close_contact.auth_seq_id_2
419
+ _pdbx_validate_close_contact.PDB_ins_code_2
420
+ _pdbx_validate_close_contact.label_alt_id_2
421
+ _pdbx_validate_close_contact.dist
422
+ 1 1 "HO2'" A A 11 ? ? "O4'" A C 12 ? ? 1.52
423
+ 2 1 "HO2'" A G 9 ? ? OP1 A C 10 ? ? 1.59
424
+ #
425
+ loop_
426
+ _pdbx_validate_rmsd_bond.id
427
+ _pdbx_validate_rmsd_bond.PDB_model_num
428
+ _pdbx_validate_rmsd_bond.auth_atom_id_1
429
+ _pdbx_validate_rmsd_bond.auth_asym_id_1
430
+ _pdbx_validate_rmsd_bond.auth_comp_id_1
431
+ _pdbx_validate_rmsd_bond.auth_seq_id_1
432
+ _pdbx_validate_rmsd_bond.PDB_ins_code_1
433
+ _pdbx_validate_rmsd_bond.label_alt_id_1
434
+ _pdbx_validate_rmsd_bond.auth_atom_id_2
435
+ _pdbx_validate_rmsd_bond.auth_asym_id_2
436
+ _pdbx_validate_rmsd_bond.auth_comp_id_2
437
+ _pdbx_validate_rmsd_bond.auth_seq_id_2
438
+ _pdbx_validate_rmsd_bond.PDB_ins_code_2
439
+ _pdbx_validate_rmsd_bond.label_alt_id_2
440
+ _pdbx_validate_rmsd_bond.bond_value
441
+ _pdbx_validate_rmsd_bond.bond_target_value
442
+ _pdbx_validate_rmsd_bond.bond_deviation
443
+ _pdbx_validate_rmsd_bond.bond_standard_deviation
444
+ _pdbx_validate_rmsd_bond.linker_flag
445
+ 1 1 "O5'" A G 1 ? ? "C5'" A G 1 ? ? 19.616 1.440 18.176 0.016 N
446
+ 2 1 "C4'" A G 1 ? ? "C3'" A G 1 ? ? 20.136 1.527 18.609 0.011 N
447
+ 3 1 "C2'" A G 1 ? ? "C1'" A G 1 ? ? 20.352 1.529 18.823 0.011 N
448
+ 4 1 "C1'" A G 1 ? ? N9 A G 1 ? ? 20.417 1.483 18.934 0.015 N
449
+ 5 1 "C2'" A G 1 ? ? "O2'" A G 1 ? ? 20.274 1.420 18.854 0.010 N
450
+ 6 1 P A C 10 ? ? OP2 A C 10 ? ? 19.573 1.485 18.088 0.017 N
451
+ 7 1 "O3'" A C 13 ? ? "C3'" A C 13 ? ? 20.432 1.427 19.005 0.012 N
452
+ 8 1 "C2'" A C 13 ? ? "O2'" A C 13 ? ? 19.673 1.420 18.253 0.010 N
453
+ #
454
+ loop_
455
+ _pdbx_validate_rmsd_angle.id
456
+ _pdbx_validate_rmsd_angle.PDB_model_num
457
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
458
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
459
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
460
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
461
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
462
+ _pdbx_validate_rmsd_angle.label_alt_id_1
463
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
464
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
465
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
466
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
467
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
468
+ _pdbx_validate_rmsd_angle.label_alt_id_2
469
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
470
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
471
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
472
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
473
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
474
+ _pdbx_validate_rmsd_angle.label_alt_id_3
475
+ _pdbx_validate_rmsd_angle.angle_value
476
+ _pdbx_validate_rmsd_angle.angle_target_value
477
+ _pdbx_validate_rmsd_angle.angle_deviation
478
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
479
+ _pdbx_validate_rmsd_angle.linker_flag
480
+ 1 1 "O5'" A G 1 ? ? "C5'" A G 1 ? ? "C4'" A G 1 ? ? 101.07 109.40 -8.33 0.80 N
481
+ 2 1 "C5'" A G 1 ? ? "C4'" A G 1 ? ? "C3'" A G 1 ? ? 82.33 115.20 -32.87 1.40 N
482
+ 3 1 "C4'" A G 1 ? ? "C3'" A G 1 ? ? "O3'" A G 1 ? ? 95.95 109.40 -13.45 2.10 N
483
+ 4 1 "C3'" A G 1 ? ? "C2'" A G 1 ? ? "C1'" A G 1 ? ? 80.29 101.30 -21.01 0.70 N
484
+ 5 1 N9 A G 1 ? ? "C1'" A G 1 ? ? "C2'" A G 1 ? ? 7.01 112.00 -104.99 1.10 N
485
+ 6 1 "C1'" A G 1 ? ? "C2'" A G 1 ? ? "O2'" A G 1 ? ? 6.86 110.60 -103.74 3.00 N
486
+ 7 1 "C3'" A G 1 ? ? "C2'" A G 1 ? ? "O2'" A G 1 ? ? 80.75 113.30 -32.55 2.90 N
487
+ 8 1 C8 A G 1 ? ? N9 A G 1 ? ? "C1'" A G 1 ? ? 72.58 127.00 -54.42 1.30 N
488
+ 9 1 C4 A G 1 ? ? N9 A G 1 ? ? "C1'" A G 1 ? ? 74.64 126.50 -51.86 1.30 N
489
+ 10 1 "O3'" A G 9 ? ? P A C 10 ? ? OP2 A C 10 ? ? 44.84 105.20 -60.36 2.20 Y
490
+ 11 1 OP1 A C 10 ? ? P A C 10 ? ? OP2 A C 10 ? ? 85.22 119.60 -34.38 1.50 N
491
+ 12 1 "O5'" A C 10 ? ? P A C 10 ? ? OP2 A C 10 ? ? 74.12 105.70 -31.58 0.90 N
492
+ 13 1 "C4'" A C 13 ? ? "C3'" A C 13 ? ? "O3'" A C 13 ? ? 26.59 109.40 -82.81 2.10 N
493
+ 14 1 "C2'" A C 13 ? ? "C3'" A C 13 ? ? "O3'" A C 13 ? ? 87.86 109.50 -21.64 2.20 N
494
+ 15 1 "C1'" A C 13 ? ? "C2'" A C 13 ? ? "O2'" A C 13 ? ? 12.14 110.60 -98.46 3.00 N
495
+ 16 1 "C3'" A C 13 ? ? "C2'" A C 13 ? ? "O2'" A C 13 ? ? 94.90 113.30 -18.40 2.90 N
496
+ #
497
+ loop_
498
+ _pdbx_validate_chiral.id
499
+ _pdbx_validate_chiral.PDB_model_num
500
+ _pdbx_validate_chiral.auth_atom_id
501
+ _pdbx_validate_chiral.label_alt_id
502
+ _pdbx_validate_chiral.auth_asym_id
503
+ _pdbx_validate_chiral.auth_comp_id
504
+ _pdbx_validate_chiral.auth_seq_id
505
+ _pdbx_validate_chiral.PDB_ins_code
506
+ _pdbx_validate_chiral.details
507
+ _pdbx_validate_chiral.omega
508
+ 1 1 "C4'" ? A G 1 ? 'WRONG HAND' .
509
+ 2 1 "C3'" ? A G 1 ? 'WRONG HAND' .
510
+ 3 1 "C2'" ? A G 1 ? 'WRONG HAND' .
511
+ 4 1 "C1'" ? A G 1 ? 'WRONG HAND' .
512
+ 5 1 "C3'" ? A C 13 ? 'WRONG HAND' .
513
+ #
514
+ _pdbx_validate_planes.id 1
515
+ _pdbx_validate_planes.PDB_model_num 1
516
+ _pdbx_validate_planes.auth_comp_id G
517
+ _pdbx_validate_planes.auth_asym_id A
518
+ _pdbx_validate_planes.auth_seq_id 1
519
+ _pdbx_validate_planes.PDB_ins_code ?
520
+ _pdbx_validate_planes.label_alt_id ?
521
+ _pdbx_validate_planes.rmsd 1.088
522
+ _pdbx_validate_planes.type 'SIDE CHAIN'
523
+ #
524
+ _pdbx_nmr_ensemble.entry_id 1I4C
525
+ _pdbx_nmr_ensemble.conformers_calculated_total_number ?
526
+ _pdbx_nmr_ensemble.conformers_submitted_total_number 1
527
+ _pdbx_nmr_ensemble.conformer_selection_criteria ?
528
+ #
529
+ _pdbx_nmr_representative.entry_id 1I4C
530
+ _pdbx_nmr_representative.conformer_id 1
531
+ _pdbx_nmr_representative.selection_criteria 'minimized average structure'
532
+ #
533
+ _pdbx_nmr_sample_details.solution_id 1
534
+ _pdbx_nmr_sample_details.contents
535
+ ;2mM 5'UUA3' triloop, unlabeled, 5mM Sodium Phosphate buffer pH 6.5
536
+ ;
537
+ _pdbx_nmr_sample_details.solvent_system '90% H2O/10% D2O'
538
+ #
539
+ _pdbx_nmr_exptl_sample_conditions.conditions_id 1
540
+ _pdbx_nmr_exptl_sample_conditions.temperature 283
541
+ _pdbx_nmr_exptl_sample_conditions.pressure ambient
542
+ _pdbx_nmr_exptl_sample_conditions.pH 6.5
543
+ _pdbx_nmr_exptl_sample_conditions.ionic_strength '5mM NaCl'
544
+ _pdbx_nmr_exptl_sample_conditions.pressure_units ?
545
+ _pdbx_nmr_exptl_sample_conditions.temperature_units K
546
+ #
547
+ loop_
548
+ _pdbx_nmr_exptl.experiment_id
549
+ _pdbx_nmr_exptl.solution_id
550
+ _pdbx_nmr_exptl.conditions_id
551
+ _pdbx_nmr_exptl.type
552
+ 1 1 1 '2D NOESY'
553
+ 2 1 1 DQF-COSY
554
+ #
555
+ _pdbx_nmr_refine.entry_id 1I4C
556
+ _pdbx_nmr_refine.method 'simulated annealing'
557
+ _pdbx_nmr_refine.details ?
558
+ _pdbx_nmr_refine.software_ordinal 1
559
+ #
560
+ loop_
561
+ _pdbx_nmr_software.name
562
+ _pdbx_nmr_software.version
563
+ _pdbx_nmr_software.classification
564
+ _pdbx_nmr_software.authors
565
+ _pdbx_nmr_software.ordinal
566
+ Felix 95 'data analysis' ? 1
567
+ X-PLOR 3.1 'structure solution' 'Brunger, A.' 2
568
+ X-PLOR 3.1 refinement 'Brunger, A.' 3
569
+ #
570
+ loop_
571
+ _chem_comp_atom.comp_id
572
+ _chem_comp_atom.atom_id
573
+ _chem_comp_atom.type_symbol
574
+ _chem_comp_atom.pdbx_aromatic_flag
575
+ _chem_comp_atom.pdbx_stereo_config
576
+ _chem_comp_atom.pdbx_ordinal
577
+ A OP3 O N N 1
578
+ A P P N N 2
579
+ A OP1 O N N 3
580
+ A OP2 O N N 4
581
+ A "O5'" O N N 5
582
+ A "C5'" C N N 6
583
+ A "C4'" C N R 7
584
+ A "O4'" O N N 8
585
+ A "C3'" C N S 9
586
+ A "O3'" O N N 10
587
+ A "C2'" C N R 11
588
+ A "O2'" O N N 12
589
+ A "C1'" C N R 13
590
+ A N9 N Y N 14
591
+ A C8 C Y N 15
592
+ A N7 N Y N 16
593
+ A C5 C Y N 17
594
+ A C6 C Y N 18
595
+ A N6 N N N 19
596
+ A N1 N Y N 20
597
+ A C2 C Y N 21
598
+ A N3 N Y N 22
599
+ A C4 C Y N 23
600
+ A HOP3 H N N 24
601
+ A HOP2 H N N 25
602
+ A "H5'" H N N 26
603
+ A "H5''" H N N 27
604
+ A "H4'" H N N 28
605
+ A "H3'" H N N 29
606
+ A "HO3'" H N N 30
607
+ A "H2'" H N N 31
608
+ A "HO2'" H N N 32
609
+ A "H1'" H N N 33
610
+ A H8 H N N 34
611
+ A H61 H N N 35
612
+ A H62 H N N 36
613
+ A H2 H N N 37
614
+ C OP3 O N N 38
615
+ C P P N N 39
616
+ C OP1 O N N 40
617
+ C OP2 O N N 41
618
+ C "O5'" O N N 42
619
+ C "C5'" C N N 43
620
+ C "C4'" C N R 44
621
+ C "O4'" O N N 45
622
+ C "C3'" C N S 46
623
+ C "O3'" O N N 47
624
+ C "C2'" C N R 48
625
+ C "O2'" O N N 49
626
+ C "C1'" C N R 50
627
+ C N1 N N N 51
628
+ C C2 C N N 52
629
+ C O2 O N N 53
630
+ C N3 N N N 54
631
+ C C4 C N N 55
632
+ C N4 N N N 56
633
+ C C5 C N N 57
634
+ C C6 C N N 58
635
+ C HOP3 H N N 59
636
+ C HOP2 H N N 60
637
+ C "H5'" H N N 61
638
+ C "H5''" H N N 62
639
+ C "H4'" H N N 63
640
+ C "H3'" H N N 64
641
+ C "HO3'" H N N 65
642
+ C "H2'" H N N 66
643
+ C "HO2'" H N N 67
644
+ C "H1'" H N N 68
645
+ C H41 H N N 69
646
+ C H42 H N N 70
647
+ C H5 H N N 71
648
+ C H6 H N N 72
649
+ G OP3 O N N 73
650
+ G P P N N 74
651
+ G OP1 O N N 75
652
+ G OP2 O N N 76
653
+ G "O5'" O N N 77
654
+ G "C5'" C N N 78
655
+ G "C4'" C N R 79
656
+ G "O4'" O N N 80
657
+ G "C3'" C N S 81
658
+ G "O3'" O N N 82
659
+ G "C2'" C N R 83
660
+ G "O2'" O N N 84
661
+ G "C1'" C N R 85
662
+ G N9 N Y N 86
663
+ G C8 C Y N 87
664
+ G N7 N Y N 88
665
+ G C5 C Y N 89
666
+ G C6 C N N 90
667
+ G O6 O N N 91
668
+ G N1 N N N 92
669
+ G C2 C N N 93
670
+ G N2 N N N 94
671
+ G N3 N N N 95
672
+ G C4 C Y N 96
673
+ G HOP3 H N N 97
674
+ G HOP2 H N N 98
675
+ G "H5'" H N N 99
676
+ G "H5''" H N N 100
677
+ G "H4'" H N N 101
678
+ G "H3'" H N N 102
679
+ G "HO3'" H N N 103
680
+ G "H2'" H N N 104
681
+ G "HO2'" H N N 105
682
+ G "H1'" H N N 106
683
+ G H8 H N N 107
684
+ G H1 H N N 108
685
+ G H21 H N N 109
686
+ G H22 H N N 110
687
+ U OP3 O N N 111
688
+ U P P N N 112
689
+ U OP1 O N N 113
690
+ U OP2 O N N 114
691
+ U "O5'" O N N 115
692
+ U "C5'" C N N 116
693
+ U "C4'" C N R 117
694
+ U "O4'" O N N 118
695
+ U "C3'" C N S 119
696
+ U "O3'" O N N 120
697
+ U "C2'" C N R 121
698
+ U "O2'" O N N 122
699
+ U "C1'" C N R 123
700
+ U N1 N N N 124
701
+ U C2 C N N 125
702
+ U O2 O N N 126
703
+ U N3 N N N 127
704
+ U C4 C N N 128
705
+ U O4 O N N 129
706
+ U C5 C N N 130
707
+ U C6 C N N 131
708
+ U HOP3 H N N 132
709
+ U HOP2 H N N 133
710
+ U "H5'" H N N 134
711
+ U "H5''" H N N 135
712
+ U "H4'" H N N 136
713
+ U "H3'" H N N 137
714
+ U "HO3'" H N N 138
715
+ U "H2'" H N N 139
716
+ U "HO2'" H N N 140
717
+ U "H1'" H N N 141
718
+ U H3 H N N 142
719
+ U H5 H N N 143
720
+ U H6 H N N 144
721
+ #
722
+ loop_
723
+ _chem_comp_bond.comp_id
724
+ _chem_comp_bond.atom_id_1
725
+ _chem_comp_bond.atom_id_2
726
+ _chem_comp_bond.value_order
727
+ _chem_comp_bond.pdbx_aromatic_flag
728
+ _chem_comp_bond.pdbx_stereo_config
729
+ _chem_comp_bond.pdbx_ordinal
730
+ A OP3 P sing N N 1
731
+ A OP3 HOP3 sing N N 2
732
+ A P OP1 doub N N 3
733
+ A P OP2 sing N N 4
734
+ A P "O5'" sing N N 5
735
+ A OP2 HOP2 sing N N 6
736
+ A "O5'" "C5'" sing N N 7
737
+ A "C5'" "C4'" sing N N 8
738
+ A "C5'" "H5'" sing N N 9
739
+ A "C5'" "H5''" sing N N 10
740
+ A "C4'" "O4'" sing N N 11
741
+ A "C4'" "C3'" sing N N 12
742
+ A "C4'" "H4'" sing N N 13
743
+ A "O4'" "C1'" sing N N 14
744
+ A "C3'" "O3'" sing N N 15
745
+ A "C3'" "C2'" sing N N 16
746
+ A "C3'" "H3'" sing N N 17
747
+ A "O3'" "HO3'" sing N N 18
748
+ A "C2'" "O2'" sing N N 19
749
+ A "C2'" "C1'" sing N N 20
750
+ A "C2'" "H2'" sing N N 21
751
+ A "O2'" "HO2'" sing N N 22
752
+ A "C1'" N9 sing N N 23
753
+ A "C1'" "H1'" sing N N 24
754
+ A N9 C8 sing Y N 25
755
+ A N9 C4 sing Y N 26
756
+ A C8 N7 doub Y N 27
757
+ A C8 H8 sing N N 28
758
+ A N7 C5 sing Y N 29
759
+ A C5 C6 sing Y N 30
760
+ A C5 C4 doub Y N 31
761
+ A C6 N6 sing N N 32
762
+ A C6 N1 doub Y N 33
763
+ A N6 H61 sing N N 34
764
+ A N6 H62 sing N N 35
765
+ A N1 C2 sing Y N 36
766
+ A C2 N3 doub Y N 37
767
+ A C2 H2 sing N N 38
768
+ A N3 C4 sing Y N 39
769
+ C OP3 P sing N N 40
770
+ C OP3 HOP3 sing N N 41
771
+ C P OP1 doub N N 42
772
+ C P OP2 sing N N 43
773
+ C P "O5'" sing N N 44
774
+ C OP2 HOP2 sing N N 45
775
+ C "O5'" "C5'" sing N N 46
776
+ C "C5'" "C4'" sing N N 47
777
+ C "C5'" "H5'" sing N N 48
778
+ C "C5'" "H5''" sing N N 49
779
+ C "C4'" "O4'" sing N N 50
780
+ C "C4'" "C3'" sing N N 51
781
+ C "C4'" "H4'" sing N N 52
782
+ C "O4'" "C1'" sing N N 53
783
+ C "C3'" "O3'" sing N N 54
784
+ C "C3'" "C2'" sing N N 55
785
+ C "C3'" "H3'" sing N N 56
786
+ C "O3'" "HO3'" sing N N 57
787
+ C "C2'" "O2'" sing N N 58
788
+ C "C2'" "C1'" sing N N 59
789
+ C "C2'" "H2'" sing N N 60
790
+ C "O2'" "HO2'" sing N N 61
791
+ C "C1'" N1 sing N N 62
792
+ C "C1'" "H1'" sing N N 63
793
+ C N1 C2 sing N N 64
794
+ C N1 C6 sing N N 65
795
+ C C2 O2 doub N N 66
796
+ C C2 N3 sing N N 67
797
+ C N3 C4 doub N N 68
798
+ C C4 N4 sing N N 69
799
+ C C4 C5 sing N N 70
800
+ C N4 H41 sing N N 71
801
+ C N4 H42 sing N N 72
802
+ C C5 C6 doub N N 73
803
+ C C5 H5 sing N N 74
804
+ C C6 H6 sing N N 75
805
+ G OP3 P sing N N 76
806
+ G OP3 HOP3 sing N N 77
807
+ G P OP1 doub N N 78
808
+ G P OP2 sing N N 79
809
+ G P "O5'" sing N N 80
810
+ G OP2 HOP2 sing N N 81
811
+ G "O5'" "C5'" sing N N 82
812
+ G "C5'" "C4'" sing N N 83
813
+ G "C5'" "H5'" sing N N 84
814
+ G "C5'" "H5''" sing N N 85
815
+ G "C4'" "O4'" sing N N 86
816
+ G "C4'" "C3'" sing N N 87
817
+ G "C4'" "H4'" sing N N 88
818
+ G "O4'" "C1'" sing N N 89
819
+ G "C3'" "O3'" sing N N 90
820
+ G "C3'" "C2'" sing N N 91
821
+ G "C3'" "H3'" sing N N 92
822
+ G "O3'" "HO3'" sing N N 93
823
+ G "C2'" "O2'" sing N N 94
824
+ G "C2'" "C1'" sing N N 95
825
+ G "C2'" "H2'" sing N N 96
826
+ G "O2'" "HO2'" sing N N 97
827
+ G "C1'" N9 sing N N 98
828
+ G "C1'" "H1'" sing N N 99
829
+ G N9 C8 sing Y N 100
830
+ G N9 C4 sing Y N 101
831
+ G C8 N7 doub Y N 102
832
+ G C8 H8 sing N N 103
833
+ G N7 C5 sing Y N 104
834
+ G C5 C6 sing N N 105
835
+ G C5 C4 doub Y N 106
836
+ G C6 O6 doub N N 107
837
+ G C6 N1 sing N N 108
838
+ G N1 C2 sing N N 109
839
+ G N1 H1 sing N N 110
840
+ G C2 N2 sing N N 111
841
+ G C2 N3 doub N N 112
842
+ G N2 H21 sing N N 113
843
+ G N2 H22 sing N N 114
844
+ G N3 C4 sing N N 115
845
+ U OP3 P sing N N 116
846
+ U OP3 HOP3 sing N N 117
847
+ U P OP1 doub N N 118
848
+ U P OP2 sing N N 119
849
+ U P "O5'" sing N N 120
850
+ U OP2 HOP2 sing N N 121
851
+ U "O5'" "C5'" sing N N 122
852
+ U "C5'" "C4'" sing N N 123
853
+ U "C5'" "H5'" sing N N 124
854
+ U "C5'" "H5''" sing N N 125
855
+ U "C4'" "O4'" sing N N 126
856
+ U "C4'" "C3'" sing N N 127
857
+ U "C4'" "H4'" sing N N 128
858
+ U "O4'" "C1'" sing N N 129
859
+ U "C3'" "O3'" sing N N 130
860
+ U "C3'" "C2'" sing N N 131
861
+ U "C3'" "H3'" sing N N 132
862
+ U "O3'" "HO3'" sing N N 133
863
+ U "C2'" "O2'" sing N N 134
864
+ U "C2'" "C1'" sing N N 135
865
+ U "C2'" "H2'" sing N N 136
866
+ U "O2'" "HO2'" sing N N 137
867
+ U "C1'" N1 sing N N 138
868
+ U "C1'" "H1'" sing N N 139
869
+ U N1 C2 sing N N 140
870
+ U N1 C6 sing N N 141
871
+ U C2 O2 doub N N 142
872
+ U C2 N3 sing N N 143
873
+ U N3 C4 sing N N 144
874
+ U N3 H3 sing N N 145
875
+ U C4 O4 doub N N 146
876
+ U C4 C5 sing N N 147
877
+ U C5 C6 doub N N 148
878
+ U C5 H5 sing N N 149
879
+ U C6 H6 sing N N 150
880
+ #
881
+ loop_
882
+ _ndb_struct_conf_na.entry_id
883
+ _ndb_struct_conf_na.feature
884
+ 1I4C 'double helix'
885
+ 1I4C 'hairpin loop'
886
+ #
887
+ loop_
888
+ _ndb_struct_na_base_pair.model_number
889
+ _ndb_struct_na_base_pair.i_label_asym_id
890
+ _ndb_struct_na_base_pair.i_label_comp_id
891
+ _ndb_struct_na_base_pair.i_label_seq_id
892
+ _ndb_struct_na_base_pair.i_symmetry
893
+ _ndb_struct_na_base_pair.j_label_asym_id
894
+ _ndb_struct_na_base_pair.j_label_comp_id
895
+ _ndb_struct_na_base_pair.j_label_seq_id
896
+ _ndb_struct_na_base_pair.j_symmetry
897
+ _ndb_struct_na_base_pair.shear
898
+ _ndb_struct_na_base_pair.stretch
899
+ _ndb_struct_na_base_pair.stagger
900
+ _ndb_struct_na_base_pair.buckle
901
+ _ndb_struct_na_base_pair.propeller
902
+ _ndb_struct_na_base_pair.opening
903
+ _ndb_struct_na_base_pair.pair_number
904
+ _ndb_struct_na_base_pair.pair_name
905
+ _ndb_struct_na_base_pair.i_auth_asym_id
906
+ _ndb_struct_na_base_pair.i_auth_seq_id
907
+ _ndb_struct_na_base_pair.i_PDB_ins_code
908
+ _ndb_struct_na_base_pair.j_auth_asym_id
909
+ _ndb_struct_na_base_pair.j_auth_seq_id
910
+ _ndb_struct_na_base_pair.j_PDB_ins_code
911
+ _ndb_struct_na_base_pair.hbond_type_28
912
+ _ndb_struct_na_base_pair.hbond_type_12
913
+ 1 A G 1 1_555 A C 13 1_555 -0.290 -0.208 -0.669 -20.727 -9.417 -3.087 1 A_G1:C13_A A 1 ? A 13 ? 19 1
914
+ 1 A G 2 1_555 A C 12 1_555 -0.339 -0.227 -0.307 -9.624 -23.274 -3.092 2 A_G2:C12_A A 2 ? A 12 ? 19 1
915
+ 1 A U 3 1_555 A A 11 1_555 -0.219 -0.282 -0.573 9.349 -28.382 -5.288 3 A_U3:A11_A A 3 ? A 11 ? 20 1
916
+ 1 A G 4 1_555 A C 10 1_555 -0.178 -0.279 -0.075 -2.848 -30.462 -1.705 4 A_G4:C10_A A 4 ? A 10 ? 19 1
917
+ 1 A C 5 1_555 A G 9 1_555 0.255 -0.335 -0.358 -7.173 -14.007 4.029 5 A_C5:G9_A A 5 ? A 9 ? 19 1
918
+ #
919
+ loop_
920
+ _ndb_struct_na_base_pair_step.model_number
921
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
922
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
923
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
924
+ _ndb_struct_na_base_pair_step.i_symmetry_1
925
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
926
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
927
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
928
+ _ndb_struct_na_base_pair_step.j_symmetry_1
929
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
930
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
931
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
932
+ _ndb_struct_na_base_pair_step.i_symmetry_2
933
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
934
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
935
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
936
+ _ndb_struct_na_base_pair_step.j_symmetry_2
937
+ _ndb_struct_na_base_pair_step.shift
938
+ _ndb_struct_na_base_pair_step.slide
939
+ _ndb_struct_na_base_pair_step.rise
940
+ _ndb_struct_na_base_pair_step.tilt
941
+ _ndb_struct_na_base_pair_step.roll
942
+ _ndb_struct_na_base_pair_step.twist
943
+ _ndb_struct_na_base_pair_step.x_displacement
944
+ _ndb_struct_na_base_pair_step.y_displacement
945
+ _ndb_struct_na_base_pair_step.helical_rise
946
+ _ndb_struct_na_base_pair_step.inclination
947
+ _ndb_struct_na_base_pair_step.tip
948
+ _ndb_struct_na_base_pair_step.helical_twist
949
+ _ndb_struct_na_base_pair_step.step_number
950
+ _ndb_struct_na_base_pair_step.step_name
951
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
952
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
953
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
954
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
955
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
956
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
957
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
958
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
959
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
960
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
961
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
962
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
963
+ 1 A G 1 1_555 A C 13 1_555 A G 2 1_555 A C 12 1_555 -1.425 -0.899 2.963 -1.253 3.699 34.156 -2.041 2.235 2.902 6.273 2.125
964
+ 34.372 1 AA_G1G2:C12C13_AA A 1 ? A 13 ? A 2 ? A 12 ?
965
+ 1 A G 2 1_555 A C 12 1_555 A U 3 1_555 A A 11 1_555 -0.163 -0.411 2.941 0.997 0.855 30.020 -0.950 0.498 2.922 1.649 -1.924
966
+ 30.049 2 AA_G2U3:A11C12_AA A 2 ? A 12 ? A 3 ? A 11 ?
967
+ 1 A U 3 1_555 A A 11 1_555 A G 4 1_555 A C 10 1_555 -0.122 -1.341 3.322 -4.006 31.965 31.258 -4.327 -0.160 1.432 46.623 5.842
968
+ 44.597 3 AA_U3G4:C10A11_AA A 3 ? A 11 ? A 4 ? A 10 ?
969
+ 1 A G 4 1_555 A C 10 1_555 A C 5 1_555 A G 9 1_555 1.511 -0.201 2.909 10.059 1.252 39.457 -0.420 -1.118 3.177 1.818 -14.609
970
+ 40.688 4 AA_G4C5:G9C10_AA A 4 ? A 10 ? A 5 ? A 9 ?
971
+ #
972
+ loop_
973
+ _pdbx_nmr_spectrometer.spectrometer_id
974
+ _pdbx_nmr_spectrometer.type
975
+ _pdbx_nmr_spectrometer.manufacturer
976
+ _pdbx_nmr_spectrometer.model
977
+ _pdbx_nmr_spectrometer.field_strength
978
+ 1 ? Bruker AVANCE 500
979
+ 2 ? Bruker AMX 600
980
+ #
981
+ _atom_sites.entry_id 1I4C
982
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
983
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
984
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
985
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
986
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
987
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
988
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
989
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
990
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
991
+ _atom_sites.fract_transf_vector[1] 0.00000
992
+ _atom_sites.fract_transf_vector[2] 0.00000
993
+ _atom_sites.fract_transf_vector[3] 0.00000
994
+ #
995
+ loop_
996
+ _atom_type.symbol
997
+ C
998
+ H
999
+ N
1000
+ O
1001
+ P
1002
+ #
1003
+ loop_
1004
+ _atom_site.group_PDB
1005
+ _atom_site.id
1006
+ _atom_site.type_symbol
1007
+ _atom_site.label_atom_id
1008
+ _atom_site.label_alt_id
1009
+ _atom_site.label_comp_id
1010
+ _atom_site.label_asym_id
1011
+ _atom_site.label_entity_id
1012
+ _atom_site.label_seq_id
1013
+ _atom_site.pdbx_PDB_ins_code
1014
+ _atom_site.Cartn_x
1015
+ _atom_site.Cartn_y
1016
+ _atom_site.Cartn_z
1017
+ _atom_site.occupancy
1018
+ _atom_site.B_iso_or_equiv
1019
+ _atom_site.pdbx_formal_charge
1020
+ _atom_site.auth_seq_id
1021
+ _atom_site.auth_comp_id
1022
+ _atom_site.auth_asym_id
1023
+ _atom_site.auth_atom_id
1024
+ _atom_site.pdbx_PDB_model_num
1025
+ ATOM 1 O "O5'" . G A 1 1 ? -7.699 -9.220 -1.077 1.00 1.77 ? 1 G A "O5'" 1
1026
+ ATOM 2 C "C5'" . G A 1 1 ? -7.667 10.378 -0.239 1.00 1.82 ? 1 G A "C5'" 1
1027
+ ATOM 3 C "C4'" . G A 1 1 ? -6.263 10.646 0.293 1.00 1.68 ? 1 G A "C4'" 1
1028
+ ATOM 4 O "O4'" . G A 1 1 ? -5.391 10.920 -0.799 1.00 1.66 ? 1 G A "O4'" 1
1029
+ ATOM 5 C "C3'" . G A 1 1 ? -5.607 -9.467 0.986 1.00 1.48 ? 1 G A "C3'" 1
1030
+ ATOM 6 O "O3'" . G A 1 1 ? -5.905 -9.577 2.380 1.00 1.49 ? 1 G A "O3'" 1
1031
+ ATOM 7 C "C2'" . G A 1 1 ? -4.115 -9.740 0.828 1.00 1.39 ? 1 G A "C2'" 1
1032
+ ATOM 8 O "O2'" . G A 1 1 ? -3.627 10.498 1.938 1.00 1.43 ? 1 G A "O2'" 1
1033
+ ATOM 9 C "C1'" . G A 1 1 ? -4.042 10.571 -0.458 1.00 1.50 ? 1 G A "C1'" 1
1034
+ ATOM 10 N N9 . G A 1 1 ? -3.455 -9.807 -1.574 1.00 1.40 ? 1 G A N9 1
1035
+ ATOM 11 C C8 . G A 1 1 ? -4.064 -9.351 -2.714 1.00 1.43 ? 1 G A C8 1
1036
+ ATOM 12 N N7 . G A 1 1 ? -3.264 -8.696 -3.509 1.00 1.32 ? 1 G A N7 1
1037
+ ATOM 13 C C5 . G A 1 1 ? -2.040 -8.720 -2.849 1.00 1.21 ? 1 G A C5 1
1038
+ ATOM 14 C C6 . G A 1 1 ? -0.787 -8.166 -3.230 1.00 1.09 ? 1 G A C6 1
1039
+ ATOM 15 O O6 . G A 1 1 ? -0.510 -7.534 -4.247 1.00 1.04 ? 1 G A O6 1
1040
+ ATOM 16 N N1 . G A 1 1 ? 0.191 -8.416 -2.280 1.00 1.05 ? 1 G A N1 1
1041
+ ATOM 17 C C2 . G A 1 1 ? -0.005 -9.111 -1.108 1.00 1.12 ? 1 G A C2 1
1042
+ ATOM 18 N N2 . G A 1 1 ? 1.049 -9.256 -0.306 1.00 1.11 ? 1 G A N2 1
1043
+ ATOM 19 N N3 . G A 1 1 ? -1.177 -9.634 -0.741 1.00 1.22 ? 1 G A N3 1
1044
+ ATOM 20 C C4 . G A 1 1 ? -2.146 -9.400 -1.660 1.00 1.26 ? 1 G A C4 1
1045
+ ATOM 21 H "H5'" . G A 1 1 ? -8.343 10.227 0.602 1.00 1.83 ? 1 G A "H5'" 1
1046
+ ATOM 22 H "H5''" . G A 1 1 ? -8.001 11.242 -0.813 1.00 1.96 ? 1 G A "H5''" 1
1047
+ ATOM 23 H "H4'" . G A 1 1 ? -6.292 11.513 0.953 1.00 1.75 ? 1 G A "H4'" 1
1048
+ ATOM 24 H "H3'" . G A 1 1 ? -5.914 -8.503 0.581 1.00 1.44 ? 1 G A "H3'" 1
1049
+ ATOM 25 H "H2'" . G A 1 1 ? -3.561 -8.809 0.716 1.00 1.25 ? 1 G A "H2'" 1
1050
+ ATOM 26 H "HO2'" . G A 1 1 ? -3.276 -9.874 2.578 1.00 1.42 ? 1 G A "HO2'" 1
1051
+ ATOM 27 H "H1'" . G A 1 1 ? -3.463 11.481 -0.302 1.00 1.57 ? 1 G A "H1'" 1
1052
+ ATOM 28 H H8 . G A 1 1 ? -5.118 -9.517 -2.932 1.00 1.55 ? 1 G A H8 1
1053
+ ATOM 29 H H1 . G A 1 1 ? 1.116 -8.057 -2.469 1.00 0.99 ? 1 G A H1 1
1054
+ ATOM 30 H H21 . G A 1 1 ? 1.942 -8.865 -0.570 1.00 1.07 ? 1 G A H21 1
1055
+ ATOM 31 H H22 . G A 1 1 ? 0.956 -9.757 0.565 1.00 1.18 ? 1 G A H22 1
1056
+ ATOM 32 H "HO5'" . G A 1 1 ? -6.933 -9.265 -1.655 1.00 1.86 ? 1 G A "HO5'" 1
1057
+ ATOM 33 P P . G A 1 2 ? -5.623 -8.342 3.375 1.00 1.35 ? 2 G A P 1
1058
+ ATOM 34 O OP1 . G A 1 2 ? -6.296 -8.623 4.663 1.00 1.44 ? 2 G A OP1 1
1059
+ ATOM 35 O OP2 . G A 1 2 ? -5.915 -7.086 2.649 1.00 1.32 ? 2 G A OP2 1
1060
+ ATOM 36 O "O5'" . G A 1 2 ? -4.031 -8.431 3.609 1.00 1.20 ? 2 G A "O5'" 1
1061
+ ATOM 37 C "C5'" . G A 1 2 ? -3.500 -9.159 4.719 1.00 1.25 ? 2 G A "C5'" 1
1062
+ ATOM 38 C "C4'" . G A 1 2 ? -2.051 -8.776 5.006 1.00 1.16 ? 2 G A "C4'" 1
1063
+ ATOM 39 O "O4'" . G A 1 2 ? -1.252 -9.040 3.846 1.00 1.11 ? 2 G A "O4'" 1
1064
+ ATOM 40 C "C3'" . G A 1 2 ? -1.816 -7.302 5.279 1.00 1.05 ? 2 G A "C3'" 1
1065
+ ATOM 41 O "O3'" . G A 1 2 ? -1.921 -7.102 6.691 1.00 1.11 ? 2 G A "O3'" 1
1066
+ ATOM 42 C "C2'" . G A 1 2 ? -0.355 -7.125 4.909 1.00 0.99 ? 2 G A "C2'" 1
1067
+ ATOM 43 O "O2'" . G A 1 2 ? 0.494 -7.584 5.964 1.00 1.06 ? 2 G A "O2'" 1
1068
+ ATOM 44 C "C1'" . G A 1 2 ? -0.236 -8.033 3.688 1.00 1.01 ? 2 G A "C1'" 1
1069
+ ATOM 45 N N9 . G A 1 2 ? -0.479 -7.304 2.428 1.00 0.94 ? 2 G A N9 1
1070
+ ATOM 46 C C8 . G A 1 2 ? -1.676 -7.003 1.831 1.00 0.96 ? 2 G A C8 1
1071
+ ATOM 47 N N7 . G A 1 2 ? -1.553 -6.332 0.719 1.00 0.89 ? 2 G A N7 1
1072
+ ATOM 48 C C5 . G A 1 2 ? -0.180 -6.178 0.569 1.00 0.83 ? 2 G A C5 1
1073
+ ATOM 49 C C6 . G A 1 2 ? 0.557 -5.528 -0.459 1.00 0.77 ? 2 G A C6 1
1074
+ ATOM 50 O O6 . G A 1 2 ? 0.128 -4.950 -1.456 1.00 0.74 ? 2 G A O6 1
1075
+ ATOM 51 N N1 . G A 1 2 ? 1.922 -5.599 -0.233 1.00 0.76 ? 2 G A N1 1
1076
+ ATOM 52 C C2 . G A 1 2 ? 2.513 -6.217 0.846 1.00 0.80 ? 2 G A C2 1
1077
+ ATOM 53 N N2 . G A 1 2 ? 3.844 -6.187 0.906 1.00 0.82 ? 2 G A N2 1
1078
+ ATOM 54 N N3 . G A 1 2 ? 1.830 -6.831 1.818 1.00 0.85 ? 2 G A N3 1
1079
+ ATOM 55 C C4 . G A 1 2 ? 0.491 -6.771 1.612 1.00 0.86 ? 2 G A C4 1
1080
+ ATOM 56 H "H5'" . G A 1 2 ? -4.104 -8.950 5.603 1.00 1.31 ? 2 G A "H5'" 1
1081
+ ATOM 57 H "H5''" . G A 1 2 ? -3.549 10.226 4.500 1.00 1.33 ? 2 G A "H5''" 1
1082
+ ATOM 58 H "H4'" . G A 1 2 ? -1.683 -9.382 5.834 1.00 1.23 ? 2 G A "H4'" 1
1083
+ ATOM 59 H "H3'" . G A 1 2 ? -2.487 -6.645 4.725 1.00 1.01 ? 2 G A "H3'" 1
1084
+ ATOM 60 H "H2'" . G A 1 2 ? -0.139 -6.091 4.649 1.00 0.92 ? 2 G A "H2'" 1
1085
+ ATOM 61 H "HO2'" . G A 1 2 ? 1.052 -6.847 6.223 1.00 1.19 ? 2 G A "HO2'" 1
1086
+ ATOM 62 H "H1'" . G A 1 2 ? 0.744 -8.509 3.648 1.00 1.03 ? 2 G A "H1'" 1
1087
+ ATOM 63 H H8 . G A 1 2 ? -2.639 -7.294 2.248 1.00 1.03 ? 2 G A H8 1
1088
+ ATOM 64 H H1 . G A 1 2 ? 2.525 -5.162 -0.916 1.00 0.74 ? 2 G A H1 1
1089
+ ATOM 65 H H21 . G A 1 2 ? 4.371 -5.693 0.198 1.00 0.81 ? 2 G A H21 1
1090
+ ATOM 66 H H22 . G A 1 2 ? 4.327 -6.657 1.658 1.00 0.86 ? 2 G A H22 1
1091
+ ATOM 67 P P . U A 1 3 ? -2.084 -5.617 7.292 1.00 1.13 ? 3 U A P 1
1092
+ ATOM 68 O OP1 . U A 1 3 ? -2.160 -5.719 8.766 1.00 1.27 ? 3 U A OP1 1
1093
+ ATOM 69 O OP2 . U A 1 3 ? -3.161 -4.931 6.543 1.00 1.09 ? 3 U A OP2 1
1094
+ ATOM 70 O "O5'" . U A 1 3 ? -0.682 -4.923 6.905 1.00 1.04 ? 3 U A "O5'" 1
1095
+ ATOM 71 C "C5'" . U A 1 3 ? 0.359 -4.806 7.878 1.00 1.10 ? 3 U A "C5'" 1
1096
+ ATOM 72 C "C4'" . U A 1 3 ? 1.695 -4.422 7.240 1.00 1.03 ? 3 U A "C4'" 1
1097
+ ATOM 73 O "O4'" . U A 1 3 ? 1.783 -4.985 5.926 1.00 0.98 ? 3 U A "O4'" 1
1098
+ ATOM 74 C "C3'" . U A 1 3 ? 1.893 -2.940 6.993 1.00 0.93 ? 3 U A "C3'" 1
1099
+ ATOM 75 O "O3'" . U A 1 3 ? 2.457 -2.373 8.177 1.00 1.00 ? 3 U A "O3'" 1
1100
+ ATOM 76 C "C2'" . U A 1 3 ? 2.974 -2.939 5.927 1.00 0.87 ? 3 U A "C2'" 1
1101
+ ATOM 77 O "O2'" . U A 1 3 ? 4.256 -3.194 6.507 1.00 0.96 ? 3 U A "O2'" 1
1102
+ ATOM 78 C "C1'" . U A 1 3 ? 2.533 -4.114 5.056 1.00 0.88 ? 3 U A "C1'" 1
1103
+ ATOM 79 N N1 . U A 1 3 ? 1.652 -3.675 3.949 1.00 0.80 ? 3 U A N1 1
1104
+ ATOM 80 C C2 . U A 1 3 ? 2.238 -3.378 2.728 1.00 0.75 ? 3 U A C2 1
1105
+ ATOM 81 O O2 . U A 1 3 ? 3.447 -3.485 2.533 1.00 0.80 ? 3 U A O2 1
1106
+ ATOM 82 N N3 . U A 1 3 ? 1.380 -2.951 1.733 1.00 0.70 ? 3 U A N3 1
1107
+ ATOM 83 C C4 . U A 1 3 ? 0.011 -2.797 1.849 1.00 0.68 ? 3 U A C4 1
1108
+ ATOM 84 O O4 . U A 1 3 ? -0.647 -2.404 0.889 1.00 0.66 ? 3 U A O4 1
1109
+ ATOM 85 C C5 . U A 1 3 ? -0.524 -3.127 3.149 1.00 0.74 ? 3 U A C5 1
1110
+ ATOM 86 C C6 . U A 1 3 ? 0.301 -3.548 4.139 1.00 0.80 ? 3 U A C6 1
1111
+ ATOM 87 H "H5'" . U A 1 3 ? 0.468 -5.762 8.393 1.00 1.17 ? 3 U A "H5'" 1
1112
+ ATOM 88 H "H5''" . U A 1 3 ? 0.081 -4.043 8.605 1.00 1.16 ? 3 U A "H5''" 1
1113
+ ATOM 89 H "H4'" . U A 1 3 ? 2.509 -4.817 7.850 1.00 1.10 ? 3 U A "H4'" 1
1114
+ ATOM 90 H "H3'" . U A 1 3 ? 0.982 -2.425 6.688 1.00 0.88 ? 3 U A "H3'" 1
1115
+ ATOM 91 H "H2'" . U A 1 3 ? 2.972 -2.007 5.363 1.00 0.78 ? 3 U A "H2'" 1
1116
+ ATOM 92 H "HO2'" . U A 1 3 ? 4.370 -2.575 7.232 1.00 0.95 ? 3 U A "HO2'" 1
1117
+ ATOM 93 H "H1'" . U A 1 3 ? 3.394 -4.656 4.659 1.00 0.93 ? 3 U A "H1'" 1
1118
+ ATOM 94 H H3 . U A 1 3 ? 1.792 -2.731 0.837 1.00 0.70 ? 3 U A H3 1
1119
+ ATOM 95 H H5 . U A 1 3 ? -1.594 -3.037 3.335 1.00 0.78 ? 3 U A H5 1
1120
+ ATOM 96 H H6 . U A 1 3 ? -0.122 -3.794 5.113 1.00 0.88 ? 3 U A H6 1
1121
+ ATOM 97 P P . G A 1 4 ? 1.983 -0.920 8.684 1.00 1.00 ? 4 G A P 1
1122
+ ATOM 98 O OP1 . G A 1 4 ? 2.643 -0.645 9.980 1.00 1.15 ? 4 G A OP1 1
1123
+ ATOM 99 O OP2 . G A 1 4 ? 0.509 -0.850 8.577 1.00 1.01 ? 4 G A OP2 1
1124
+ ATOM 100 O "O5'" . G A 1 4 ? 2.618 0.063 7.577 1.00 0.87 ? 4 G A "O5'" 1
1125
+ ATOM 101 C "C5'" . G A 1 4 ? 3.989 0.457 7.663 1.00 0.93 ? 4 G A "C5'" 1
1126
+ ATOM 102 C "C4'" . G A 1 4 ? 4.437 1.232 6.428 1.00 0.82 ? 4 G A "C4'" 1
1127
+ ATOM 103 O "O4'" . G A 1 4 ? 4.198 0.452 5.256 1.00 0.71 ? 4 G A "O4'" 1
1128
+ ATOM 104 C "C3'" . G A 1 4 ? 3.675 2.513 6.155 1.00 0.72 ? 4 G A "C3'" 1
1129
+ ATOM 105 O "O3'" . G A 1 4 ? 4.334 3.564 6.866 1.00 0.86 ? 4 G A "O3'" 1
1130
+ ATOM 106 C "C2'" . G A 1 4 ? 3.934 2.742 4.674 1.00 0.59 ? 4 G A "C2'" 1
1131
+ ATOM 107 O "O2'" . G A 1 4 ? 5.195 3.387 4.481 1.00 0.69 ? 4 G A "O2'" 1
1132
+ ATOM 108 C "C1'" . G A 1 4 ? 3.972 1.312 4.124 1.00 0.60 ? 4 G A "C1'" 1
1133
+ ATOM 109 N N9 . G A 1 4 ? 2.704 0.930 3.474 1.00 0.53 ? 4 G A N9 1
1134
+ ATOM 110 C C8 . G A 1 4 ? 1.643 0.238 4.000 1.00 0.56 ? 4 G A C8 1
1135
+ ATOM 111 N N7 . G A 1 4 ? 0.662 0.063 3.158 1.00 0.53 ? 4 G A N7 1
1136
+ ATOM 112 C C5 . G A 1 4 ? 1.103 0.684 1.994 1.00 0.47 ? 4 G A C5 1
1137
+ ATOM 113 C C6 . G A 1 4 ? 0.460 0.819 0.732 1.00 0.47 ? 4 G A C6 1
1138
+ ATOM 114 O O6 . G A 1 4 ? -0.646 0.405 0.390 1.00 0.52 ? 4 G A O6 1
1139
+ ATOM 115 N N1 . G A 1 4 ? 1.248 1.515 -0.171 1.00 0.49 ? 4 G A N1 1
1140
+ ATOM 116 C C2 . G A 1 4 ? 2.500 2.020 0.099 1.00 0.49 ? 4 G A C2 1
1141
+ ATOM 117 N N2 . G A 1 4 ? 3.117 2.668 -0.891 1.00 0.57 ? 4 G A N2 1
1142
+ ATOM 118 N N3 . G A 1 4 ? 3.113 1.898 1.279 1.00 0.48 ? 4 G A N3 1
1143
+ ATOM 119 C C4 . G A 1 4 ? 2.355 1.219 2.176 1.00 0.47 ? 4 G A C4 1
1144
+ ATOM 120 H "H5'" . G A 1 4 ? 4.608 -0.434 7.766 1.00 1.00 ? 4 G A "H5'" 1
1145
+ ATOM 121 H "H5''" . G A 1 4 ? 4.123 1.085 8.544 1.00 1.05 ? 4 G A "H5''" 1
1146
+ ATOM 122 H "H4'" . G A 1 4 ? 5.506 1.433 6.506 1.00 0.91 ? 4 G A "H4'" 1
1147
+ ATOM 123 H "H3'" . G A 1 4 ? 2.616 2.450 6.406 1.00 0.71 ? 4 G A "H3'" 1
1148
+ ATOM 124 H "H2'" . G A 1 4 ? 3.125 3.314 4.219 1.00 0.47 ? 4 G A "H2'" 1
1149
+ ATOM 125 H "HO2'" . G A 1 4 ? 5.646 3.392 5.329 1.00 0.94 ? 4 G A "HO2'" 1
1150
+ ATOM 126 H "H1'" . G A 1 4 ? 4.790 1.192 3.414 1.00 0.64 ? 4 G A "H1'" 1
1151
+ ATOM 127 H H8 . G A 1 4 ? 1.620 -0.128 5.026 1.00 0.65 ? 4 G A H8 1
1152
+ ATOM 128 H H1 . G A 1 4 ? 0.870 1.658 -1.095 1.00 0.55 ? 4 G A H1 1
1153
+ ATOM 129 H H21 . G A 1 4 ? 2.634 2.839 -1.762 1.00 0.62 ? 4 G A H21 1
1154
+ ATOM 130 H H22 . G A 1 4 ? 4.066 2.990 -0.768 1.00 0.61 ? 4 G A H22 1
1155
+ ATOM 131 P P . C A 1 5 ? 3.487 4.787 7.482 1.00 0.88 ? 5 C A P 1
1156
+ ATOM 132 O OP1 . C A 1 5 ? 4.387 5.586 8.344 1.00 1.08 ? 5 C A OP1 1
1157
+ ATOM 133 O OP2 . C A 1 5 ? 2.226 4.245 8.034 1.00 1.03 ? 5 C A OP2 1
1158
+ ATOM 134 O "O5'" . C A 1 5 ? 3.128 5.664 6.179 1.00 0.60 ? 5 C A "O5'" 1
1159
+ ATOM 135 C "C5'" . C A 1 5 ? 4.153 6.083 5.273 1.00 0.44 ? 5 C A "C5'" 1
1160
+ ATOM 136 C "C4'" . C A 1 5 ? 3.636 6.145 3.838 1.00 0.16 ? 5 C A "C4'" 1
1161
+ ATOM 137 O "O4'" . C A 1 5 ? 2.887 4.970 3.571 1.00 0.22 ? 5 C A "O4'" 1
1162
+ ATOM 138 C "C3'" . C A 1 5 ? 2.673 7.295 3.552 1.00 0.25 ? 5 C A "C3'" 1
1163
+ ATOM 139 O "O3'" . C A 1 5 ? 3.376 8.207 2.704 1.00 0.56 ? 5 C A "O3'" 1
1164
+ ATOM 140 C "C2'" . C A 1 5 ? 1.538 6.696 2.709 1.00 0.22 ? 5 C A "C2'" 1
1165
+ ATOM 141 O "O2'" . C A 1 5 ? 1.490 7.334 1.434 1.00 0.47 ? 5 C A "O2'" 1
1166
+ ATOM 142 C "C1'" . C A 1 5 ? 1.929 5.226 2.550 1.00 0.19 ? 5 C A "C1'" 1
1167
+ ATOM 143 N N1 . C A 1 5 ? 0.788 4.302 2.756 1.00 0.19 ? 5 C A N1 1
1168
+ ATOM 144 C C2 . C A 1 5 ? 0.068 3.890 1.642 1.00 0.32 ? 5 C A C2 1
1169
+ ATOM 145 O O2 . C A 1 5 ? 0.369 4.305 0.525 1.00 0.48 ? 5 C A O2 1
1170
+ ATOM 146 N N3 . C A 1 5 ? -0.967 3.024 1.817 1.00 0.37 ? 5 C A N3 1
1171
+ ATOM 147 C C4 . C A 1 5 ? -1.288 2.578 3.037 1.00 0.33 ? 5 C A C4 1
1172
+ ATOM 148 N N4 . C A 1 5 ? -2.314 1.731 3.140 1.00 0.42 ? 5 C A N4 1
1173
+ ATOM 149 C C5 . C A 1 5 ? -0.555 2.998 4.190 1.00 0.34 ? 5 C A C5 1
1174
+ ATOM 150 C C6 . C A 1 5 ? 0.468 3.854 4.006 1.00 0.27 ? 5 C A C6 1
1175
+ ATOM 151 H "H5'" . C A 1 5 ? 4.983 5.379 5.323 1.00 0.56 ? 5 C A "H5'" 1
1176
+ ATOM 152 H "H5''" . C A 1 5 ? 4.505 7.072 5.567 1.00 0.55 ? 5 C A "H5''" 1
1177
+ ATOM 153 H "H4'" . C A 1 5 ? 4.488 6.183 3.159 1.00 0.35 ? 5 C A "H4'" 1
1178
+ ATOM 154 H "H3'" . C A 1 5 ? 2.315 7.791 4.456 1.00 0.51 ? 5 C A "H3'" 1
1179
+ ATOM 155 H "H2'" . C A 1 5 ? 0.584 6.788 3.223 1.00 0.40 ? 5 C A "H2'" 1
1180
+ ATOM 156 H "HO2'" . C A 1 5 ? 0.615 7.719 1.340 1.00 0.88 ? 5 C A "HO2'" 1
1181
+ ATOM 157 H "H1'" . C A 1 5 ? 2.381 5.047 1.573 1.00 0.27 ? 5 C A "H1'" 1
1182
+ ATOM 158 H H41 . C A 1 5 ? -2.771 1.389 2.306 1.00 0.48 ? 5 C A H41 1
1183
+ ATOM 159 H H42 . C A 1 5 ? -2.633 1.433 4.050 1.00 0.48 ? 5 C A H42 1
1184
+ ATOM 160 H H5 . C A 1 5 ? -0.809 2.643 5.189 1.00 0.47 ? 5 C A H5 1
1185
+ ATOM 161 H H6 . C A 1 5 ? 1.048 4.193 4.864 1.00 0.37 ? 5 C A H6 1
1186
+ ATOM 162 P P . U A 1 6 ? 2.814 9.694 2.451 1.00 0.82 ? 6 U A P 1
1187
+ ATOM 163 O OP1 . U A 1 6 ? 3.884 10.658 2.793 1.00 1.33 ? 6 U A OP1 1
1188
+ ATOM 164 O OP2 . U A 1 6 ? 1.487 9.804 3.097 1.00 1.13 ? 6 U A OP2 1
1189
+ ATOM 165 O "O5'" . U A 1 6 ? 2.601 9.719 0.854 1.00 0.72 ? 6 U A "O5'" 1
1190
+ ATOM 166 C "C5'" . U A 1 6 ? 1.306 9.975 0.302 1.00 0.61 ? 6 U A "C5'" 1
1191
+ ATOM 167 C "C4'" . U A 1 6 ? 1.129 9.296 -1.072 1.00 0.50 ? 6 U A "C4'" 1
1192
+ ATOM 168 O "O4'" . U A 1 6 ? 2.399 8.785 -1.506 1.00 0.44 ? 6 U A "O4'" 1
1193
+ ATOM 169 C "C3'" . U A 1 6 ? 0.180 8.093 -1.106 1.00 0.69 ? 6 U A "C3'" 1
1194
+ ATOM 170 O "O3'" . U A 1 6 ? -0.455 8.115 -2.382 1.00 1.01 ? 6 U A "O3'" 1
1195
+ ATOM 171 C "C2'" . U A 1 6 ? 1.101 6.885 -1.098 1.00 0.73 ? 6 U A "C2'" 1
1196
+ ATOM 172 O "O2'" . U A 1 6 ? 0.494 5.785 -1.779 1.00 1.15 ? 6 U A "O2'" 1
1197
+ ATOM 173 C "C1'" . U A 1 6 ? 2.291 7.409 -1.882 1.00 0.64 ? 6 U A "C1'" 1
1198
+ ATOM 174 N N1 . U A 1 6 ? 3.555 6.713 -1.528 1.00 0.90 ? 6 U A N1 1
1199
+ ATOM 175 C C2 . U A 1 6 ? 4.193 5.970 -2.513 1.00 1.30 ? 6 U A C2 1
1200
+ ATOM 176 O O2 . U A 1 6 ? 3.744 5.864 -3.652 1.00 1.37 ? 6 U A O2 1
1201
+ ATOM 177 N N3 . U A 1 6 ? 5.368 5.348 -2.140 1.00 1.67 ? 6 U A N3 1
1202
+ ATOM 178 C C4 . U A 1 6 ? 5.955 5.399 -0.891 1.00 1.73 ? 6 U A C4 1
1203
+ ATOM 179 O O4 . U A 1 6 ? 7.008 4.801 -0.682 1.00 2.14 ? 6 U A O4 1
1204
+ ATOM 180 C C5 . U A 1 6 ? 5.234 6.189 0.083 1.00 1.31 ? 6 U A C5 1
1205
+ ATOM 181 C C6 . U A 1 6 ? 4.076 6.808 -0.262 1.00 0.89 ? 6 U A C6 1
1206
+ ATOM 182 H "H5'" . U A 1 6 ? 1.182 11.055 0.192 1.00 1.13 ? 6 U A "H5'" 1
1207
+ ATOM 183 H "H5''" . U A 1 6 ? 0.551 9.606 0.996 1.00 1.10 ? 6 U A "H5''" 1
1208
+ ATOM 184 H "H4'" . U A 1 6 ? 0.795 10.041 -1.799 1.00 0.73 ? 6 U A "H4'" 1
1209
+ ATOM 185 H "H3'" . U A 1 6 ? -0.549 8.083 -0.297 1.00 0.79 ? 6 U A "H3'" 1
1210
+ ATOM 186 H "H2'" . U A 1 6 ? 1.386 6.615 -0.082 1.00 0.69 ? 6 U A "H2'" 1
1211
+ ATOM 187 H "HO2'" . U A 1 6 ? -0.096 6.150 -2.443 1.00 1.52 ? 6 U A "HO2'" 1
1212
+ ATOM 188 H "H1'" . U A 1 6 ? 2.105 7.346 -2.957 1.00 0.86 ? 6 U A "H1'" 1
1213
+ ATOM 189 H H3 . U A 1 6 ? 5.841 4.803 -2.846 1.00 1.97 ? 6 U A H3 1
1214
+ ATOM 190 H H5 . U A 1 6 ? 5.623 6.288 1.096 1.00 1.37 ? 6 U A H5 1
1215
+ ATOM 191 H H6 . U A 1 6 ? 3.538 7.389 0.492 1.00 0.60 ? 6 U A H6 1
1216
+ ATOM 192 P P . U A 1 7 ? -1.769 9.009 -2.626 1.00 1.66 ? 7 U A P 1
1217
+ ATOM 193 O OP1 . U A 1 7 ? -1.638 9.680 -3.939 1.00 2.18 ? 7 U A OP1 1
1218
+ ATOM 194 O OP2 . U A 1 7 ? -2.020 9.810 -1.407 1.00 2.35 ? 7 U A OP2 1
1219
+ ATOM 195 O "O5'" . U A 1 7 ? -2.925 7.891 -2.746 1.00 1.57 ? 7 U A "O5'" 1
1220
+ ATOM 196 C "C5'" . U A 1 7 ? -4.067 7.900 -1.885 1.00 0.57 ? 7 U A "C5'" 1
1221
+ ATOM 197 C "C4'" . U A 1 7 ? -5.341 8.244 -2.673 1.00 0.41 ? 7 U A "C4'" 1
1222
+ ATOM 198 O "O4'" . U A 1 7 ? -4.955 8.868 -3.907 1.00 0.37 ? 7 U A "O4'" 1
1223
+ ATOM 199 C "C3'" . U A 1 7 ? -6.195 7.053 -3.098 1.00 0.47 ? 7 U A "C3'" 1
1224
+ ATOM 200 O "O3'" . U A 1 7 ? -7.524 7.534 -3.323 1.00 0.56 ? 7 U A "O3'" 1
1225
+ ATOM 201 C "C2'" . U A 1 7 ? -5.638 6.669 -4.456 1.00 0.55 ? 7 U A "C2'" 1
1226
+ ATOM 202 O "O2'" . U A 1 7 ? -6.650 6.049 -5.254 1.00 0.72 ? 7 U A "O2'" 1
1227
+ ATOM 203 C "C1'" . U A 1 7 ? -5.262 8.031 -5.037 1.00 0.45 ? 7 U A "C1'" 1
1228
+ ATOM 204 N N1 . U A 1 7 ? -4.050 7.951 -5.901 1.00 0.54 ? 7 U A N1 1
1229
+ ATOM 205 C C2 . U A 1 7 ? -4.158 8.316 -7.236 1.00 0.66 ? 7 U A C2 1
1230
+ ATOM 206 O O2 . U A 1 7 ? -5.217 8.692 -7.734 1.00 0.70 ? 7 U A O2 1
1231
+ ATOM 207 N N3 . U A 1 7 ? -2.997 8.229 -7.983 1.00 0.81 ? 7 U A N3 1
1232
+ ATOM 208 C C4 . U A 1 7 ? -1.760 7.818 -7.522 1.00 0.85 ? 7 U A C4 1
1233
+ ATOM 209 O O4 . U A 1 7 ? -0.797 7.785 -8.286 1.00 1.01 ? 7 U A O4 1
1234
+ ATOM 210 C C5 . U A 1 7 ? -1.730 7.456 -6.124 1.00 0.74 ? 7 U A C5 1
1235
+ ATOM 211 C C6 . U A 1 7 ? -2.855 7.533 -5.378 1.00 0.61 ? 7 U A C6 1
1236
+ ATOM 212 H "H5'" . U A 1 7 ? -3.916 8.641 -1.095 1.00 0.79 ? 7 U A "H5'" 1
1237
+ ATOM 213 H "H5''" . U A 1 7 ? -4.175 6.916 -1.429 1.00 0.78 ? 7 U A "H5''" 1
1238
+ ATOM 214 H "H4'" . U A 1 7 ? -5.938 8.946 -2.090 1.00 0.50 ? 7 U A "H4'" 1
1239
+ ATOM 215 H "H3'" . U A 1 7 ? -6.181 6.234 -2.380 1.00 0.57 ? 7 U A "H3'" 1
1240
+ ATOM 216 H "H2'" . U A 1 7 ? -4.767 6.024 -4.355 1.00 0.65 ? 7 U A "H2'" 1
1241
+ ATOM 217 H "HO2'" . U A 1 7 ? -7.031 6.730 -5.813 1.00 1.03 ? 7 U A "HO2'" 1
1242
+ ATOM 218 H "H1'" . U A 1 7 ? -6.100 8.465 -5.590 1.00 0.55 ? 7 U A "H1'" 1
1243
+ ATOM 219 H H3 . U A 1 7 ? -3.059 8.488 -8.957 1.00 0.94 ? 7 U A H3 1
1244
+ ATOM 220 H H5 . U A 1 7 ? -0.798 7.122 -5.664 1.00 0.82 ? 7 U A H5 1
1245
+ ATOM 221 H H6 . U A 1 7 ? -2.809 7.248 -4.328 1.00 0.62 ? 7 U A H6 1
1246
+ ATOM 222 P P . A A 1 8 ? -8.660 7.369 -2.194 1.00 0.52 ? 8 A A P 1
1247
+ ATOM 223 O OP1 . A A 1 8 ? -9.592 8.513 -2.310 1.00 0.63 ? 8 A A OP1 1
1248
+ ATOM 224 O OP2 . A A 1 8 ? -7.991 7.094 -0.903 1.00 0.59 ? 8 A A OP2 1
1249
+ ATOM 225 O "O5'" . A A 1 8 ? -9.445 6.034 -2.652 1.00 0.62 ? 8 A A "O5'" 1
1250
+ ATOM 226 C "C5'" . A A 1 8 ? -8.867 5.120 -3.589 1.00 0.64 ? 8 A A "C5'" 1
1251
+ ATOM 227 C "C4'" . A A 1 8 ? -7.811 4.233 -2.929 1.00 0.49 ? 8 A A "C4'" 1
1252
+ ATOM 228 O "O4'" . A A 1 8 ? -7.232 4.939 -1.850 1.00 0.50 ? 8 A A "O4'" 1
1253
+ ATOM 229 C "C3'" . A A 1 8 ? -8.340 2.962 -2.277 1.00 0.44 ? 8 A A "C3'" 1
1254
+ ATOM 230 O "O3'" . A A 1 8 ? -8.084 1.892 -3.194 1.00 0.68 ? 8 A A "O3'" 1
1255
+ ATOM 231 C "C2'" . A A 1 8 ? -7.428 2.731 -1.057 1.00 0.48 ? 8 A A "C2'" 1
1256
+ ATOM 232 O "O2'" . A A 1 8 ? -6.581 1.602 -1.283 1.00 0.71 ? 8 A A "O2'" 1
1257
+ ATOM 233 C "C1'" . A A 1 8 ? -6.586 4.017 -0.986 1.00 0.45 ? 8 A A "C1'" 1
1258
+ ATOM 234 N N9 . A A 1 8 ? -6.511 4.626 0.361 1.00 0.39 ? 8 A A N9 1
1259
+ ATOM 235 C C8 . A A 1 8 ? -7.470 4.704 1.348 1.00 0.45 ? 8 A A C8 1
1260
+ ATOM 236 N N7 . A A 1 8 ? -7.074 5.349 2.409 1.00 0.47 ? 8 A A N7 1
1261
+ ATOM 237 C C5 . A A 1 8 ? -5.772 5.727 2.105 1.00 0.40 ? 8 A A C5 1
1262
+ ATOM 238 C C6 . A A 1 8 ? -4.802 6.446 2.820 1.00 0.45 ? 8 A A C6 1
1263
+ ATOM 239 N N6 . A A 1 8 ? -5.004 6.940 4.041 1.00 0.55 ? 8 A A N6 1
1264
+ ATOM 240 N N1 . A A 1 8 ? -3.612 6.647 2.230 1.00 0.48 ? 8 A A N1 1
1265
+ ATOM 241 C C2 . A A 1 8 ? -3.406 6.166 1.010 1.00 0.47 ? 8 A A C2 1
1266
+ ATOM 242 N N3 . A A 1 8 ? -4.233 5.477 0.238 1.00 0.43 ? 8 A A N3 1
1267
+ ATOM 243 C C4 . A A 1 8 ? -5.418 5.293 0.862 1.00 0.37 ? 8 A A C4 1
1268
+ ATOM 244 H "H5'" . A A 1 8 ? -8.406 5.689 -4.399 1.00 1.15 ? 8 A A "H5'" 1
1269
+ ATOM 245 H "H5''" . A A 1 8 ? -9.654 4.489 -4.001 1.00 1.30 ? 8 A A "H5''" 1
1270
+ ATOM 246 H "H4'" . A A 1 8 ? -7.033 3.994 -3.657 1.00 0.67 ? 8 A A "H4'" 1
1271
+ ATOM 247 H "H3'" . A A 1 8 ? -9.396 3.022 -2.017 1.00 0.53 ? 8 A A "H3'" 1
1272
+ ATOM 248 H "H2'" . A A 1 8 ? -8.018 2.592 -0.157 1.00 0.53 ? 8 A A "H2'" 1
1273
+ ATOM 249 H "HO2'" . A A 1 8 ? -6.436 1.539 -2.229 1.00 0.72 ? 8 A A "HO2'" 1
1274
+ ATOM 250 H "H1'" . A A 1 8 ? -5.576 3.835 -1.351 1.00 0.64 ? 8 A A "H1'" 1
1275
+ ATOM 251 H H8 . A A 1 8 ? -8.473 4.293 1.247 1.00 0.53 ? 8 A A H8 1
1276
+ ATOM 252 H H61 . A A 1 8 ? -4.267 7.450 4.507 1.00 0.61 ? 8 A A H61 1
1277
+ ATOM 253 H H62 . A A 1 8 ? -5.894 6.806 4.498 1.00 0.60 ? 8 A A H62 1
1278
+ ATOM 254 H H2 . A A 1 8 ? -2.424 6.374 0.582 1.00 0.57 ? 8 A A H2 1
1279
+ ATOM 255 P P . G A 1 9 ? -8.924 1.764 -4.564 1.00 0.69 ? 9 G A P 1
1280
+ ATOM 256 O OP1 . G A 1 9 ? -10.220 2.462 -4.381 1.00 0.81 ? 9 G A OP1 1
1281
+ ATOM 257 O OP2 . G A 1 9 ? -8.905 0.346 -4.987 1.00 0.88 ? 9 G A OP2 1
1282
+ ATOM 258 O "O5'" . G A 1 9 ? -8.036 2.614 -5.609 1.00 0.65 ? 9 G A "O5'" 1
1283
+ ATOM 259 C "C5'" . G A 1 9 ? -7.265 1.965 -6.630 1.00 0.50 ? 9 G A "C5'" 1
1284
+ ATOM 260 C "C4'" . G A 1 9 ? -5.858 2.548 -6.712 1.00 0.45 ? 9 G A "C4'" 1
1285
+ ATOM 261 O "O4'" . G A 1 9 ? -5.380 2.763 -5.381 1.00 0.40 ? 9 G A "O4'" 1
1286
+ ATOM 262 C "C3'" . G A 1 9 ? -4.821 1.649 -7.382 1.00 0.46 ? 9 G A "C3'" 1
1287
+ ATOM 263 O "O3'" . G A 1 9 ? -3.873 2.510 -8.018 1.00 0.50 ? 9 G A "O3'" 1
1288
+ ATOM 264 C "C2'" . G A 1 9 ? -4.098 0.976 -6.226 1.00 0.41 ? 9 G A "C2'" 1
1289
+ ATOM 265 O "O2'" . G A 1 9 ? -2.740 0.705 -6.579 1.00 0.45 ? 9 G A "O2'" 1
1290
+ ATOM 266 C "C1'" . G A 1 9 ? -4.165 2.052 -5.144 1.00 0.38 ? 9 G A "C1'" 1
1291
+ ATOM 267 N N9 . G A 1 9 ? -4.209 1.505 -3.768 1.00 0.36 ? 9 G A N9 1
1292
+ ATOM 268 C C8 . G A 1 9 ? -4.885 0.407 -3.282 1.00 0.48 ? 9 G A C8 1
1293
+ ATOM 269 N N7 . G A 1 9 ? -4.725 0.219 -2.003 1.00 0.46 ? 9 G A N7 1
1294
+ ATOM 270 C C5 . G A 1 9 ? -3.892 1.259 -1.611 1.00 0.34 ? 9 G A C5 1
1295
+ ATOM 271 C C6 . G A 1 9 ? -3.373 1.575 -0.326 1.00 0.35 ? 9 G A C6 1
1296
+ ATOM 272 O O6 . G A 1 9 ? -3.554 0.983 0.735 1.00 0.37 ? 9 G A O6 1
1297
+ ATOM 273 N N1 . G A 1 9 ? -2.574 2.706 -0.363 1.00 0.46 ? 9 G A N1 1
1298
+ ATOM 274 C C2 . G A 1 9 ? -2.304 3.446 -1.492 1.00 0.53 ? 9 G A C2 1
1299
+ ATOM 275 N N2 . G A 1 9 ? -1.520 4.514 -1.346 1.00 0.74 ? 9 G A N2 1
1300
+ ATOM 276 N N3 . G A 1 9 ? -2.785 3.157 -2.702 1.00 0.44 ? 9 G A N3 1
1301
+ ATOM 277 C C4 . G A 1 9 ? -3.569 2.053 -2.684 1.00 0.33 ? 9 G A C4 1
1302
+ ATOM 278 H "H5'" . G A 1 9 ? -7.762 2.098 -7.591 1.00 0.90 ? 9 G A "H5'" 1
1303
+ ATOM 279 H "H5''" . G A 1 9 ? -7.196 0.899 -6.410 1.00 0.92 ? 9 G A "H5''" 1
1304
+ ATOM 280 H "H4'" . G A 1 9 ? -5.904 3.509 -7.223 1.00 0.50 ? 9 G A "H4'" 1
1305
+ ATOM 281 H "H3'" . G A 1 9 ? -5.257 0.941 -8.086 1.00 0.50 ? 9 G A "H3'" 1
1306
+ ATOM 282 H "H2'" . G A 1 9 ? -4.612 0.070 -5.924 1.00 0.42 ? 9 G A "H2'" 1
1307
+ ATOM 283 H "HO2'" . G A 1 9 ? -2.753 0.197 -7.393 1.00 0.59 ? 9 G A "HO2'" 1
1308
+ ATOM 284 H "H1'" . G A 1 9 ? -3.324 2.745 -5.230 1.00 0.38 ? 9 G A "H1'" 1
1309
+ ATOM 285 H H8 . G A 1 9 ? -5.515 -0.234 -3.897 1.00 0.62 ? 9 G A H8 1
1310
+ ATOM 286 H H1 . G A 1 9 ? -2.162 3.005 0.508 1.00 0.56 ? 9 G A H1 1
1311
+ ATOM 287 H H21 . G A 1 9 ? -1.211 4.793 -0.427 1.00 0.82 ? 9 G A H21 1
1312
+ ATOM 288 H H22 . G A 1 9 ? -1.238 5.048 -2.156 1.00 0.83 ? 9 G A H22 1
1313
+ ATOM 289 P P . C A 1 10 ? -2.855 1.934 -9.124 1.00 0.58 ? 10 C A P 1
1314
+ ATOM 290 O OP1 . C A 1 10 ? -2.766 0.466 -8.956 1.00 0.58 ? 10 C A OP1 1
1315
+ ATOM 291 O OP2 . C A 1 10 ? -3.228 2.505 10.437 1.00 0.66 ? 10 C A OP2 1
1316
+ ATOM 292 O "O5'" . C A 1 10 ? -1.449 2.579 -8.675 1.00 0.59 ? 10 C A "O5'" 1
1317
+ ATOM 293 C "C5'" . C A 1 10 ? -1.255 3.994 -8.723 1.00 0.65 ? 10 C A "C5'" 1
1318
+ ATOM 294 C "C4'" . C A 1 10 ? -0.099 4.436 -7.829 1.00 0.67 ? 10 C A "C4'" 1
1319
+ ATOM 295 O "O4'" . C A 1 10 ? -0.558 4.536 -6.478 1.00 0.57 ? 10 C A "O4'" 1
1320
+ ATOM 296 C "C3'" . C A 1 10 ? 1.057 3.459 -7.742 1.00 0.72 ? 10 C A "C3'" 1
1321
+ ATOM 297 O "O3'" . C A 1 10 ? 1.984 3.801 -8.775 1.00 0.87 ? 10 C A "O3'" 1
1322
+ ATOM 298 C "C2'" . C A 1 10 ? 1.705 3.825 -6.417 1.00 0.72 ? 10 C A "C2'" 1
1323
+ ATOM 299 O "O2'" . C A 1 10 ? 2.565 4.958 -6.573 1.00 0.86 ? 10 C A "O2'" 1
1324
+ ATOM 300 C "C1'" . C A 1 10 ? 0.492 4.187 -5.558 1.00 0.59 ? 10 C A "C1'" 1
1325
+ ATOM 301 N N1 . C A 1 10 ? 0.036 3.043 -4.733 1.00 0.50 ? 10 C A N1 1
1326
+ ATOM 302 C C2 . C A 1 10 ? 0.456 2.978 -3.409 1.00 0.52 ? 10 C A C2 1
1327
+ ATOM 303 O O2 . C A 1 10 ? 1.187 3.853 -2.949 1.00 0.60 ? 10 C A O2 1
1328
+ ATOM 304 N N3 . C A 1 10 ? 0.050 1.929 -2.645 1.00 0.49 ? 10 C A N3 1
1329
+ ATOM 305 C C4 . C A 1 10 ? -0.734 0.974 -3.157 1.00 0.45 ? 10 C A C4 1
1330
+ ATOM 306 N N4 . C A 1 10 ? -1.114 -0.017 -2.353 1.00 0.49 ? 10 C A N4 1
1331
+ ATOM 307 C C5 . C A 1 10 ? -1.165 1.028 -4.517 1.00 0.44 ? 10 C A C5 1
1332
+ ATOM 308 C C6 . C A 1 10 ? -0.765 2.074 -5.265 1.00 0.46 ? 10 C A C6 1
1333
+ ATOM 309 H "H5'" . C A 1 10 ? -2.168 4.489 -8.393 1.00 0.62 ? 10 C A "H5'" 1
1334
+ ATOM 310 H "H5''" . C A 1 10 ? -1.043 4.289 -9.751 1.00 0.74 ? 10 C A "H5''" 1
1335
+ ATOM 311 H "H4'" . C A 1 10 ? 0.250 5.415 -8.158 1.00 0.75 ? 10 C A "H4'" 1
1336
+ ATOM 312 H "H3'" . C A 1 10 ? 0.748 2.416 -7.801 1.00 0.68 ? 10 C A "H3'" 1
1337
+ ATOM 313 H "H2'" . C A 1 10 ? 2.243 2.976 -5.997 1.00 0.73 ? 10 C A "H2'" 1
1338
+ ATOM 314 H "HO2'" . C A 1 10 ? 2.305 5.404 -7.382 1.00 1.23 ? 10 C A "HO2'" 1
1339
+ ATOM 315 H "H1'" . C A 1 10 ? 0.709 5.046 -4.920 1.00 0.62 ? 10 C A "H1'" 1
1340
+ ATOM 316 H H41 . C A 1 10 ? -0.862 0.002 -1.373 1.00 0.52 ? 10 C A H41 1
1341
+ ATOM 317 H H42 . C A 1 10 ? -1.654 -0.787 -2.721 1.00 0.51 ? 10 C A H42 1
1342
+ ATOM 318 H H5 . C A 1 10 ? -1.774 0.238 -4.953 1.00 0.46 ? 10 C A H5 1
1343
+ ATOM 319 H H6 . C A 1 10 ? -1.102 2.157 -6.300 1.00 0.49 ? 10 C A H6 1
1344
+ ATOM 320 P P . A A 1 11 ? 3.135 2.762 -9.212 1.00 1.01 ? 11 A A P 1
1345
+ ATOM 321 O OP1 . A A 1 11 ? 4.220 3.524 -9.870 1.00 1.21 ? 11 A A OP1 1
1346
+ ATOM 322 O OP2 . A A 1 11 ? 2.494 1.631 -9.919 1.00 1.00 ? 11 A A OP2 1
1347
+ ATOM 323 O "O5'" . A A 1 11 ? 3.682 2.227 -7.794 1.00 0.98 ? 11 A A "O5'" 1
1348
+ ATOM 324 C "C5'" . A A 1 11 ? 4.745 2.912 -7.126 1.00 1.06 ? 11 A A "C5'" 1
1349
+ ATOM 325 C "C4'" . A A 1 11 ? 5.420 2.030 -6.079 1.00 1.00 ? 11 A A "C4'" 1
1350
+ ATOM 326 O "O4'" . A A 1 11 ? 4.659 2.051 -4.870 1.00 0.91 ? 11 A A "O4'" 1
1351
+ ATOM 327 C "C3'" . A A 1 11 ? 5.495 0.556 -6.424 1.00 0.95 ? 11 A A "C3'" 1
1352
+ ATOM 328 O "O3'" . A A 1 11 ? 6.725 0.345 -7.124 1.00 1.06 ? 11 A A "O3'" 1
1353
+ ATOM 329 C "C2'" . A A 1 11 ? 5.641 -0.107 -5.062 1.00 0.89 ? 11 A A "C2'" 1
1354
+ ATOM 330 O "O2'" . A A 1 11 ? 7.015 -0.158 -4.670 1.00 0.98 ? 11 A A "O2'" 1
1355
+ ATOM 331 C "C1'" . A A 1 11 ? 4.852 0.827 -4.142 1.00 0.84 ? 11 A A "C1'" 1
1356
+ ATOM 332 N N9 . A A 1 11 ? 3.547 0.248 -3.778 1.00 0.72 ? 11 A A N9 1
1357
+ ATOM 333 C C8 . A A 1 11 ? 2.444 0.044 -4.568 1.00 0.68 ? 11 A A C8 1
1358
+ ATOM 334 N N7 . A A 1 11 ? 1.474 -0.583 -3.959 1.00 0.61 ? 11 A A N7 1
1359
+ ATOM 335 C C5 . A A 1 11 ? 1.972 -0.803 -2.679 1.00 0.60 ? 11 A A C5 1
1360
+ ATOM 336 C C6 . A A 1 11 ? 1.434 -1.425 -1.540 1.00 0.59 ? 11 A A C6 1
1361
+ ATOM 337 N N6 . A A 1 11 ? 0.230 -1.994 -1.510 1.00 0.59 ? 11 A A N6 1
1362
+ ATOM 338 N N1 . A A 1 11 ? 2.193 -1.468 -0.434 1.00 0.63 ? 11 A A N1 1
1363
+ ATOM 339 C C2 . A A 1 11 ? 3.406 -0.930 -0.462 1.00 0.68 ? 11 A A C2 1
1364
+ ATOM 340 N N3 . A A 1 11 ? 4.024 -0.324 -1.463 1.00 0.71 ? 11 A A N3 1
1365
+ ATOM 341 C C4 . A A 1 11 ? 3.233 -0.297 -2.557 1.00 0.67 ? 11 A A C4 1
1366
+ ATOM 342 H "H5'" . A A 1 11 ? 4.344 3.799 -6.637 1.00 1.09 ? 11 A A "H5'" 1
1367
+ ATOM 343 H "H5''" . A A 1 11 ? 5.487 3.218 -7.864 1.00 1.16 ? 11 A A "H5''" 1
1368
+ ATOM 344 H "H4'" . A A 1 11 ? 6.415 2.425 -5.874 1.00 1.09 ? 11 A A "H4'" 1
1369
+ ATOM 345 H "H3'" . A A 1 11 ? 4.637 0.198 -6.991 1.00 0.91 ? 11 A A "H3'" 1
1370
+ ATOM 346 H "H2'" . A A 1 11 ? 5.194 -1.101 -5.070 1.00 0.85 ? 11 A A "H2'" 1
1371
+ ATOM 347 H "HO2'" . A A 1 11 ? 7.144 -0.976 -4.185 1.00 0.97 ? 11 A A "HO2'" 1
1372
+ ATOM 348 H "H1'" . A A 1 11 ? 5.415 1.039 -3.233 1.00 0.88 ? 11 A A "H1'" 1
1373
+ ATOM 349 H H8 . A A 1 11 ? 2.385 0.372 -5.605 1.00 0.73 ? 11 A A H8 1
1374
+ ATOM 350 H H61 . A A 1 11 ? -0.071 -2.494 -0.687 1.00 0.62 ? 11 A A H61 1
1375
+ ATOM 351 H H62 . A A 1 11 ? -0.380 -1.928 -2.312 1.00 0.59 ? 11 A A H62 1
1376
+ ATOM 352 H H2 . A A 1 11 ? 3.971 -0.996 0.468 1.00 0.73 ? 11 A A H2 1
1377
+ ATOM 353 P P . C A 1 12 ? 7.080 -1.103 -7.735 1.00 1.09 ? 12 C A P 1
1378
+ ATOM 354 O OP1 . C A 1 12 ? 8.375 -1.001 -8.445 1.00 1.23 ? 12 C A OP1 1
1379
+ ATOM 355 O OP2 . C A 1 12 ? 5.886 -1.612 -8.447 1.00 1.05 ? 12 C A OP2 1
1380
+ ATOM 356 O "O5'" . C A 1 12 ? 7.300 -2.000 -6.414 1.00 1.03 ? 12 C A "O5'" 1
1381
+ ATOM 357 C "C5'" . C A 1 12 ? 8.604 -2.141 -5.846 1.00 1.09 ? 12 C A "C5'" 1
1382
+ ATOM 358 C "C4'" . C A 1 12 ? 8.560 -2.845 -4.490 1.00 1.04 ? 12 C A "C4'" 1
1383
+ ATOM 359 O "O4'" . C A 1 12 ? 7.409 -2.415 -3.763 1.00 0.92 ? 12 C A "O4'" 1
1384
+ ATOM 360 C "C3'" . C A 1 12 ? 8.393 -4.349 -4.551 1.00 1.05 ? 12 C A "C3'" 1
1385
+ ATOM 361 O "O3'" . C A 1 12 ? 9.702 -4.919 -4.625 1.00 1.17 ? 12 C A "O3'" 1
1386
+ ATOM 362 C "C2'" . C A 1 12 ? 7.836 -4.678 -3.175 1.00 0.98 ? 12 C A "C2'" 1
1387
+ ATOM 363 O "O2'" . C A 1 12 ? 8.894 -4.777 -2.219 1.00 1.05 ? 12 C A "O2'" 1
1388
+ ATOM 364 C "C1'" . C A 1 12 ? 6.957 -3.458 -2.878 1.00 0.88 ? 12 C A "C1'" 1
1389
+ ATOM 365 N N1 . C A 1 12 ? 5.524 -3.724 -3.156 1.00 0.80 ? 12 C A N1 1
1390
+ ATOM 366 C C2 . C A 1 12 ? 4.691 -4.038 -2.085 1.00 0.76 ? 12 C A C2 1
1391
+ ATOM 367 O O2 . C A 1 12 ? 5.146 -4.094 -0.944 1.00 0.79 ? 12 C A O2 1
1392
+ ATOM 368 N N3 . C A 1 12 ? 3.374 -4.282 -2.330 1.00 0.72 ? 12 C A N3 1
1393
+ ATOM 369 C C4 . C A 1 12 ? 2.889 -4.222 -3.577 1.00 0.72 ? 12 C A C4 1
1394
+ ATOM 370 N N4 . C A 1 12 ? 1.590 -4.467 -3.753 1.00 0.71 ? 12 C A N4 1
1395
+ ATOM 371 C C5 . C A 1 12 ? 3.738 -3.903 -4.682 1.00 0.75 ? 12 C A C5 1
1396
+ ATOM 372 C C6 . C A 1 12 ? 5.038 -3.662 -4.428 1.00 0.79 ? 12 C A C6 1
1397
+ ATOM 373 H "H5'" . C A 1 12 ? 9.043 -1.151 -5.719 1.00 1.12 ? 12 C A "H5'" 1
1398
+ ATOM 374 H "H5''" . C A 1 12 ? 9.227 -2.721 -6.527 1.00 1.19 ? 12 C A "H5''" 1
1399
+ ATOM 375 H "H4'" . C A 1 12 ? 9.456 -2.583 -3.925 1.00 1.10 ? 12 C A "H4'" 1
1400
+ ATOM 376 H "H3'" . C A 1 12 ? 7.755 -4.683 -5.370 1.00 1.04 ? 12 C A "H3'" 1
1401
+ ATOM 377 H "H2'" . C A 1 12 ? 7.242 -5.590 -3.199 1.00 0.99 ? 12 C A "H2'" 1
1402
+ ATOM 378 H "HO2'" . C A 1 12 ? 9.653 -5.148 -2.673 1.00 1.28 ? 12 C A "HO2'" 1
1403
+ ATOM 379 H "H1'" . C A 1 12 ? 7.086 -3.128 -1.845 1.00 0.87 ? 12 C A "H1'" 1
1404
+ ATOM 380 H H41 . C A 1 12 ? 1.004 -4.678 -2.958 1.00 0.71 ? 12 C A H41 1
1405
+ ATOM 381 H H42 . C A 1 12 ? 1.192 -4.441 -4.681 1.00 0.72 ? 12 C A H42 1
1406
+ ATOM 382 H H5 . C A 1 12 ? 3.354 -3.854 -5.701 1.00 0.77 ? 12 C A H5 1
1407
+ ATOM 383 H H6 . C A 1 12 ? 5.712 -3.418 -5.249 1.00 0.84 ? 12 C A H6 1
1408
+ ATOM 384 P P . C A 1 13 ? 9.924 -6.368 -5.291 1.00 1.25 ? 13 C A P 1
1409
+ ATOM 385 O OP1 . C A 1 13 ? 11.343 -6.749 -5.106 1.00 1.39 ? 13 C A OP1 1
1410
+ ATOM 386 O OP2 . C A 1 13 ? 9.336 -6.349 -6.649 1.00 1.21 ? 13 C A OP2 1
1411
+ ATOM 387 O "O5'" . C A 1 13 ? 9.020 -7.324 -4.363 1.00 1.24 ? 13 C A "O5'" 1
1412
+ ATOM 388 C "C5'" . C A 1 13 ? 9.553 -7.876 -3.156 1.00 1.28 ? 13 C A "C5'" 1
1413
+ ATOM 389 C "C4'" . C A 1 13 ? 8.445 -8.335 -2.211 1.00 1.24 ? 13 C A "C4'" 1
1414
+ ATOM 390 O "O4'" . C A 1 13 ? 7.362 -7.418 -2.272 1.00 1.10 ? 13 C A "O4'" 1
1415
+ ATOM 391 C "C3'" . C A 1 13 ? 7.800 -9.660 -2.573 1.00 1.31 ? 13 C A "C3'" 1
1416
+ ATOM 392 O "O3'" . C A 1 13 ? 8.578 10.751 -2.076 1.00 1.45 ? 13 C A "O3'" 1
1417
+ ATOM 393 C "C2'" . C A 1 13 ? 6.464 -9.570 -1.833 1.00 1.24 ? 13 C A "C2'" 1
1418
+ ATOM 394 O "O2'" . C A 1 13 ? 6.604 10.057 -0.496 1.00 1.30 ? 13 C A "O2'" 1
1419
+ ATOM 395 C "C1'" . C A 1 13 ? 6.165 -8.063 -1.823 1.00 1.09 ? 13 C A "C1'" 1
1420
+ ATOM 396 N N1 . C A 1 13 ? 5.062 -7.705 -2.744 1.00 1.02 ? 13 C A N1 1
1421
+ ATOM 397 C C2 . C A 1 13 ? 3.766 -7.726 -2.246 1.00 0.98 ? 13 C A C2 1
1422
+ ATOM 398 O O2 . C A 1 13 ? 3.561 -8.029 -1.073 1.00 0.99 ? 13 C A O2 1
1423
+ ATOM 399 N N3 . C A 1 13 ? 2.739 -7.404 -3.080 1.00 0.95 ? 13 C A N3 1
1424
+ ATOM 400 C C4 . C A 1 13 ? 2.974 -7.073 -4.357 1.00 0.94 ? 13 C A C4 1
1425
+ ATOM 401 N N4 . C A 1 13 ? 1.928 -6.767 -5.124 1.00 0.93 ? 13 C A N4 1
1426
+ ATOM 402 C C5 . C A 1 13 ? 4.306 -7.050 -4.877 1.00 0.98 ? 13 C A C5 1
1427
+ ATOM 403 C C6 . C A 1 13 ? 5.313 -7.371 -4.043 1.00 1.02 ? 13 C A C6 1
1428
+ ATOM 404 H "H5'" . C A 1 13 ? 10.157 -7.119 -2.656 1.00 1.25 ? 13 C A "H5'" 1
1429
+ ATOM 405 H "H5''" . C A 1 13 ? 10.185 -8.729 -3.404 1.00 1.40 ? 13 C A "H5''" 1
1430
+ ATOM 406 H "H4'" . C A 1 13 ? 8.832 -8.363 -1.192 1.00 1.27 ? 13 C A "H4'" 1
1431
+ ATOM 407 H "H3'" . C A 1 13 ? 7.647 -9.741 -3.649 1.00 1.31 ? 13 C A "H3'" 1
1432
+ ATOM 408 H "HO3'" . C A 1 13 ? 8.376 10.844 -1.142 1.00 1.59 ? 13 C A "HO3'" 1
1433
+ ATOM 409 H "HO2'" . C A 1 13 ? 7.167 -9.439 -0.024 1.00 1.32 ? 13 C A "HO2'" 1
1434
+ ATOM 410 H "H1'" . C A 1 13 ? 5.932 -7.719 -0.813 1.00 1.05 ? 13 C A "H1'" 1
1435
+ ATOM 411 H H41 . C A 1 13 ? 0.996 -6.778 -4.735 1.00 0.94 ? 13 C A H41 1
1436
+ ATOM 412 H H42 . C A 1 13 ? 2.067 -6.523 -6.094 1.00 0.94 ? 13 C A H42 1
1437
+ ATOM 413 H H5 . C A 1 13 ? 4.509 -6.781 -5.913 1.00 0.99 ? 13 C A H5 1
1438
+ ATOM 414 H H6 . C A 1 13 ? 6.339 -7.367 -4.410 1.00 1.08 ? 13 C A H6 1
1439
+ ATOM 415 H "H2''" . C A 1 13 ? 5.687 10.115 -2.369 1.00 1.27 ? 13 C A "H2''" 1
1440
+ #
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structures/2n6w.cif ADDED
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structures/2nuf.cif ADDED
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structures/3a6p.cif ADDED
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structures/3am1.cif ADDED
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structures/3jd5.cif ADDED
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structures/3ouy.cif ADDED
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structures/3sqw.cif ADDED
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structures/3vyx.cif ADDED
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structures/4m59.cif ADDED
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structures/4x4s.cif ADDED
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