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structures/1r4h.cif ADDED
@@ -0,0 +1,1183 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1R4H
2
+ #
3
+ _entry.id 1R4H
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 1R4H pdb_00001r4h 10.2210/pdb1r4h/pdb
15
+ RCSB RCSB020425 ? ?
16
+ WWPDB D_1000020425 ? ?
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 2004-10-19
25
+ 2 'Structure model' 1 1 2008-04-29
26
+ 3 'Structure model' 1 2 2011-07-13
27
+ 4 'Structure model' 1 3 2022-03-02
28
+ 5 'Structure model' 1 4 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' 'Data collection'
46
+ 4 4 'Structure model' 'Database references'
47
+ 5 4 'Structure model' 'Derived calculations'
48
+ 6 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_nmr_software
57
+ 3 4 'Structure model' pdbx_struct_assembly
58
+ 4 4 'Structure model' pdbx_struct_oper_list
59
+ 5 5 'Structure model' chem_comp_atom
60
+ 6 5 'Structure model' chem_comp_bond
61
+ #
62
+ loop_
63
+ _pdbx_audit_revision_item.ordinal
64
+ _pdbx_audit_revision_item.revision_ordinal
65
+ _pdbx_audit_revision_item.data_content_type
66
+ _pdbx_audit_revision_item.item
67
+ 1 4 'Structure model' '_database_2.pdbx_DOI'
68
+ 2 4 'Structure model' '_database_2.pdbx_database_accession'
69
+ 3 4 'Structure model' '_pdbx_nmr_software.name'
70
+ #
71
+ _pdbx_database_status.status_code REL
72
+ _pdbx_database_status.entry_id 1R4H
73
+ _pdbx_database_status.recvd_initial_deposition_date 2003-10-06
74
+ _pdbx_database_status.deposit_site RCSB
75
+ _pdbx_database_status.process_site RCSB
76
+ _pdbx_database_status.status_code_sf ?
77
+ _pdbx_database_status.status_code_mr REL
78
+ _pdbx_database_status.SG_entry ?
79
+ _pdbx_database_status.pdb_format_compatible Y
80
+ _pdbx_database_status.status_code_cs ?
81
+ _pdbx_database_status.status_code_nmr_data ?
82
+ _pdbx_database_status.methods_development_category ?
83
+ #
84
+ loop_
85
+ _audit_author.name
86
+ _audit_author.pdbx_ordinal
87
+ 'Kaluarachchi, K.' 1
88
+ 'Thiviyanathan, V.' 2
89
+ 'Rijinbrand, R.' 3
90
+ 'Lemon, S.M.' 4
91
+ 'Gorenstein, D.G.' 5
92
+ #
93
+ _citation.id primary
94
+ _citation.title
95
+ 'Mutational and structural analysis of stem-loop IIIC of the hepatitis C virus and GB virus B internal ribosome entry sites.'
96
+ _citation.journal_abbrev J.Mol.Biol.
97
+ _citation.journal_volume 343
98
+ _citation.page_first 805
99
+ _citation.page_last 817
100
+ _citation.year 2004
101
+ _citation.journal_id_ASTM JMOBAK
102
+ _citation.country UK
103
+ _citation.journal_id_ISSN 0022-2836
104
+ _citation.journal_id_CSD 0070
105
+ _citation.book_publisher ?
106
+ _citation.pdbx_database_id_PubMed 15476802
107
+ _citation.pdbx_database_id_DOI 10.1016/j.jmb.2004.08.095
108
+ #
109
+ loop_
110
+ _citation_author.citation_id
111
+ _citation_author.name
112
+ _citation_author.ordinal
113
+ _citation_author.identifier_ORCID
114
+ primary 'Rijnbrand, R.' 1 ?
115
+ primary 'Thiviyanathan, V.' 2 ?
116
+ primary 'Kaluarachchi, K.' 3 ?
117
+ primary 'Lemon, S.M.' 4 ?
118
+ primary 'Gorenstein, D.G.' 5 ?
119
+ #
120
+ _entity.id 1
121
+ _entity.type polymer
122
+ _entity.src_method syn
123
+ _entity.pdbx_description "5'-R(*GP*GP*GP*CP*AP*AP*GP*CP*CP*C)-3'"
124
+ _entity.formula_weight 3215.005
125
+ _entity.pdbx_number_of_molecules 1
126
+ _entity.pdbx_ec ?
127
+ _entity.pdbx_mutation ?
128
+ _entity.pdbx_fragment ?
129
+ _entity.details ?
130
+ #
131
+ _entity_poly.entity_id 1
132
+ _entity_poly.type polyribonucleotide
133
+ _entity_poly.nstd_linkage no
134
+ _entity_poly.nstd_monomer no
135
+ _entity_poly.pdbx_seq_one_letter_code GGGCAAGCCC
136
+ _entity_poly.pdbx_seq_one_letter_code_can GGGCAAGCCC
137
+ _entity_poly.pdbx_strand_id A
138
+ _entity_poly.pdbx_target_identifier ?
139
+ #
140
+ loop_
141
+ _entity_poly_seq.entity_id
142
+ _entity_poly_seq.num
143
+ _entity_poly_seq.mon_id
144
+ _entity_poly_seq.hetero
145
+ 1 1 G n
146
+ 1 2 G n
147
+ 1 3 G n
148
+ 1 4 C n
149
+ 1 5 A n
150
+ 1 6 A n
151
+ 1 7 G n
152
+ 1 8 C n
153
+ 1 9 C n
154
+ 1 10 C n
155
+ #
156
+ _pdbx_entity_src_syn.entity_id 1
157
+ _pdbx_entity_src_syn.pdbx_src_id 1
158
+ _pdbx_entity_src_syn.pdbx_alt_source_flag sample
159
+ _pdbx_entity_src_syn.pdbx_beg_seq_num ?
160
+ _pdbx_entity_src_syn.pdbx_end_seq_num ?
161
+ _pdbx_entity_src_syn.organism_scientific ?
162
+ _pdbx_entity_src_syn.organism_common_name ?
163
+ _pdbx_entity_src_syn.ncbi_taxonomy_id ?
164
+ _pdbx_entity_src_syn.details
165
+ 'The SEQUENCE OCCURS NATURALLY IN GB Virus B AND WAS SYNTHESIZED In vitro trancription using T7 RNA Polymerase.'
166
+ #
167
+ loop_
168
+ _chem_comp.id
169
+ _chem_comp.type
170
+ _chem_comp.mon_nstd_flag
171
+ _chem_comp.name
172
+ _chem_comp.pdbx_synonyms
173
+ _chem_comp.formula
174
+ _chem_comp.formula_weight
175
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
176
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
177
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
178
+ #
179
+ loop_
180
+ _pdbx_poly_seq_scheme.asym_id
181
+ _pdbx_poly_seq_scheme.entity_id
182
+ _pdbx_poly_seq_scheme.seq_id
183
+ _pdbx_poly_seq_scheme.mon_id
184
+ _pdbx_poly_seq_scheme.ndb_seq_num
185
+ _pdbx_poly_seq_scheme.pdb_seq_num
186
+ _pdbx_poly_seq_scheme.auth_seq_num
187
+ _pdbx_poly_seq_scheme.pdb_mon_id
188
+ _pdbx_poly_seq_scheme.auth_mon_id
189
+ _pdbx_poly_seq_scheme.pdb_strand_id
190
+ _pdbx_poly_seq_scheme.pdb_ins_code
191
+ _pdbx_poly_seq_scheme.hetero
192
+ A 1 1 G 1 1 1 G GUA A . n
193
+ A 1 2 G 2 2 2 G GUA A . n
194
+ A 1 3 G 3 3 3 G GUA A . n
195
+ A 1 4 C 4 4 4 C CYT A . n
196
+ A 1 5 A 5 5 5 A ADE A . n
197
+ A 1 6 A 6 6 6 A ADE A . n
198
+ A 1 7 G 7 7 7 G GUA A . n
199
+ A 1 8 C 8 8 8 C CYT A . n
200
+ A 1 9 C 9 9 9 C CYT A . n
201
+ A 1 10 C 10 10 10 C CYT A . n
202
+ #
203
+ _exptl.entry_id 1R4H
204
+ _exptl.method 'SOLUTION NMR'
205
+ _exptl.crystals_number ?
206
+ #
207
+ _exptl_crystal.id 1
208
+ _exptl_crystal.density_meas ?
209
+ _exptl_crystal.density_Matthews ?
210
+ _exptl_crystal.density_percent_sol ?
211
+ _exptl_crystal.description ?
212
+ #
213
+ _diffrn.id 1
214
+ _diffrn.ambient_temp ?
215
+ _diffrn.ambient_temp_details ?
216
+ _diffrn.crystal_id 1
217
+ #
218
+ _diffrn_radiation.diffrn_id 1
219
+ _diffrn_radiation.wavelength_id 1
220
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
221
+ _diffrn_radiation.monochromator ?
222
+ _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
223
+ _diffrn_radiation.pdbx_scattering_type ?
224
+ #
225
+ _diffrn_radiation_wavelength.id 1
226
+ _diffrn_radiation_wavelength.wavelength .
227
+ _diffrn_radiation_wavelength.wt 1.0
228
+ #
229
+ _database_PDB_matrix.entry_id 1R4H
230
+ _database_PDB_matrix.origx[1][1] 1.000000
231
+ _database_PDB_matrix.origx[1][2] 0.000000
232
+ _database_PDB_matrix.origx[1][3] 0.000000
233
+ _database_PDB_matrix.origx[2][1] 0.000000
234
+ _database_PDB_matrix.origx[2][2] 1.000000
235
+ _database_PDB_matrix.origx[2][3] 0.000000
236
+ _database_PDB_matrix.origx[3][1] 0.000000
237
+ _database_PDB_matrix.origx[3][2] 0.000000
238
+ _database_PDB_matrix.origx[3][3] 1.000000
239
+ _database_PDB_matrix.origx_vector[1] 0.00000
240
+ _database_PDB_matrix.origx_vector[2] 0.00000
241
+ _database_PDB_matrix.origx_vector[3] 0.00000
242
+ #
243
+ _struct.entry_id 1R4H
244
+ _struct.title 'NMR Solution structure of the IIIc domain of GB Virus B IRES Element'
245
+ _struct.pdbx_model_details ?
246
+ _struct.pdbx_CASP_flag ?
247
+ _struct.pdbx_model_type_details 'minimized average'
248
+ #
249
+ _struct_keywords.entry_id 1R4H
250
+ _struct_keywords.pdbx_keywords RNA
251
+ _struct_keywords.text 'GB Virus B, IRES, HAIRPIN Loop, RNA'
252
+ #
253
+ _struct_asym.id A
254
+ _struct_asym.pdbx_blank_PDB_chainid_flag N
255
+ _struct_asym.pdbx_modified N
256
+ _struct_asym.entity_id 1
257
+ _struct_asym.details ?
258
+ #
259
+ _struct_ref.id 1
260
+ _struct_ref.entity_id 1
261
+ _struct_ref.db_name PDB
262
+ _struct_ref.db_code 1R4H
263
+ _struct_ref.pdbx_db_accession 1R4H
264
+ _struct_ref.pdbx_db_isoform ?
265
+ _struct_ref.pdbx_seq_one_letter_code ?
266
+ _struct_ref.pdbx_align_begin ?
267
+ #
268
+ _struct_ref_seq.align_id 1
269
+ _struct_ref_seq.ref_id 1
270
+ _struct_ref_seq.pdbx_PDB_id_code 1R4H
271
+ _struct_ref_seq.pdbx_strand_id A
272
+ _struct_ref_seq.seq_align_beg 1
273
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code ?
274
+ _struct_ref_seq.seq_align_end 10
275
+ _struct_ref_seq.pdbx_seq_align_end_ins_code ?
276
+ _struct_ref_seq.pdbx_db_accession 1R4H
277
+ _struct_ref_seq.db_align_beg 1
278
+ _struct_ref_seq.pdbx_db_align_beg_ins_code ?
279
+ _struct_ref_seq.db_align_end 10
280
+ _struct_ref_seq.pdbx_db_align_end_ins_code ?
281
+ _struct_ref_seq.pdbx_auth_seq_align_beg 1
282
+ _struct_ref_seq.pdbx_auth_seq_align_end 10
283
+ #
284
+ _pdbx_struct_assembly.id 1
285
+ _pdbx_struct_assembly.details author_defined_assembly
286
+ _pdbx_struct_assembly.method_details ?
287
+ _pdbx_struct_assembly.oligomeric_details monomeric
288
+ _pdbx_struct_assembly.oligomeric_count 1
289
+ #
290
+ _pdbx_struct_assembly_gen.assembly_id 1
291
+ _pdbx_struct_assembly_gen.oper_expression 1
292
+ _pdbx_struct_assembly_gen.asym_id_list A
293
+ #
294
+ _pdbx_struct_oper_list.id 1
295
+ _pdbx_struct_oper_list.type 'identity operation'
296
+ _pdbx_struct_oper_list.name 1_555
297
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
298
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
299
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
300
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
301
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
302
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
303
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
304
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
305
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
306
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
307
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
308
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
309
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
310
+ #
311
+ _struct_biol.id 1
312
+ #
313
+ loop_
314
+ _struct_conn.id
315
+ _struct_conn.conn_type_id
316
+ _struct_conn.pdbx_leaving_atom_flag
317
+ _struct_conn.pdbx_PDB_id
318
+ _struct_conn.ptnr1_label_asym_id
319
+ _struct_conn.ptnr1_label_comp_id
320
+ _struct_conn.ptnr1_label_seq_id
321
+ _struct_conn.ptnr1_label_atom_id
322
+ _struct_conn.pdbx_ptnr1_label_alt_id
323
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
324
+ _struct_conn.pdbx_ptnr1_standard_comp_id
325
+ _struct_conn.ptnr1_symmetry
326
+ _struct_conn.ptnr2_label_asym_id
327
+ _struct_conn.ptnr2_label_comp_id
328
+ _struct_conn.ptnr2_label_seq_id
329
+ _struct_conn.ptnr2_label_atom_id
330
+ _struct_conn.pdbx_ptnr2_label_alt_id
331
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
332
+ _struct_conn.ptnr1_auth_asym_id
333
+ _struct_conn.ptnr1_auth_comp_id
334
+ _struct_conn.ptnr1_auth_seq_id
335
+ _struct_conn.ptnr2_auth_asym_id
336
+ _struct_conn.ptnr2_auth_comp_id
337
+ _struct_conn.ptnr2_auth_seq_id
338
+ _struct_conn.ptnr2_symmetry
339
+ _struct_conn.pdbx_ptnr3_label_atom_id
340
+ _struct_conn.pdbx_ptnr3_label_seq_id
341
+ _struct_conn.pdbx_ptnr3_label_comp_id
342
+ _struct_conn.pdbx_ptnr3_label_asym_id
343
+ _struct_conn.pdbx_ptnr3_label_alt_id
344
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
345
+ _struct_conn.details
346
+ _struct_conn.pdbx_dist_value
347
+ _struct_conn.pdbx_value_order
348
+ _struct_conn.pdbx_role
349
+ hydrog1 hydrog ? ? A G 2 N1 ? ? ? 1_555 A C 9 N3 ? ? A G 2 A C 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
350
+ hydrog2 hydrog ? ? A G 2 N2 ? ? ? 1_555 A C 9 O2 ? ? A G 2 A C 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
351
+ hydrog3 hydrog ? ? A G 2 O6 ? ? ? 1_555 A C 9 N4 ? ? A G 2 A C 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
352
+ hydrog4 hydrog ? ? A G 3 N1 ? ? ? 1_555 A C 8 N3 ? ? A G 3 A C 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
353
+ hydrog5 hydrog ? ? A G 3 N2 ? ? ? 1_555 A C 8 O2 ? ? A G 3 A C 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
354
+ hydrog6 hydrog ? ? A G 3 O6 ? ? ? 1_555 A C 8 N4 ? ? A G 3 A C 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
355
+ hydrog7 hydrog ? ? A C 4 N3 ? ? ? 1_555 A G 7 N1 ? ? A C 4 A G 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
356
+ hydrog8 hydrog ? ? A C 4 N4 ? ? ? 1_555 A G 7 O6 ? ? A C 4 A G 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
357
+ hydrog9 hydrog ? ? A C 4 O2 ? ? ? 1_555 A G 7 N2 ? ? A C 4 A G 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
358
+ #
359
+ _struct_conn_type.id hydrog
360
+ _struct_conn_type.criteria ?
361
+ _struct_conn_type.reference ?
362
+ #
363
+ loop_
364
+ _pdbx_validate_close_contact.id
365
+ _pdbx_validate_close_contact.PDB_model_num
366
+ _pdbx_validate_close_contact.auth_atom_id_1
367
+ _pdbx_validate_close_contact.auth_asym_id_1
368
+ _pdbx_validate_close_contact.auth_comp_id_1
369
+ _pdbx_validate_close_contact.auth_seq_id_1
370
+ _pdbx_validate_close_contact.PDB_ins_code_1
371
+ _pdbx_validate_close_contact.label_alt_id_1
372
+ _pdbx_validate_close_contact.auth_atom_id_2
373
+ _pdbx_validate_close_contact.auth_asym_id_2
374
+ _pdbx_validate_close_contact.auth_comp_id_2
375
+ _pdbx_validate_close_contact.auth_seq_id_2
376
+ _pdbx_validate_close_contact.PDB_ins_code_2
377
+ _pdbx_validate_close_contact.label_alt_id_2
378
+ _pdbx_validate_close_contact.dist
379
+ 1 1 "H1'" A A 5 ? ? "H5'" A A 6 ? ? 1.12
380
+ 2 1 H41 A C 4 ? ? O6 A G 7 ? ? 1.40
381
+ #
382
+ loop_
383
+ _pdbx_validate_rmsd_angle.id
384
+ _pdbx_validate_rmsd_angle.PDB_model_num
385
+ _pdbx_validate_rmsd_angle.auth_atom_id_1
386
+ _pdbx_validate_rmsd_angle.auth_asym_id_1
387
+ _pdbx_validate_rmsd_angle.auth_comp_id_1
388
+ _pdbx_validate_rmsd_angle.auth_seq_id_1
389
+ _pdbx_validate_rmsd_angle.PDB_ins_code_1
390
+ _pdbx_validate_rmsd_angle.label_alt_id_1
391
+ _pdbx_validate_rmsd_angle.auth_atom_id_2
392
+ _pdbx_validate_rmsd_angle.auth_asym_id_2
393
+ _pdbx_validate_rmsd_angle.auth_comp_id_2
394
+ _pdbx_validate_rmsd_angle.auth_seq_id_2
395
+ _pdbx_validate_rmsd_angle.PDB_ins_code_2
396
+ _pdbx_validate_rmsd_angle.label_alt_id_2
397
+ _pdbx_validate_rmsd_angle.auth_atom_id_3
398
+ _pdbx_validate_rmsd_angle.auth_asym_id_3
399
+ _pdbx_validate_rmsd_angle.auth_comp_id_3
400
+ _pdbx_validate_rmsd_angle.auth_seq_id_3
401
+ _pdbx_validate_rmsd_angle.PDB_ins_code_3
402
+ _pdbx_validate_rmsd_angle.label_alt_id_3
403
+ _pdbx_validate_rmsd_angle.angle_value
404
+ _pdbx_validate_rmsd_angle.angle_target_value
405
+ _pdbx_validate_rmsd_angle.angle_deviation
406
+ _pdbx_validate_rmsd_angle.angle_standard_deviation
407
+ _pdbx_validate_rmsd_angle.linker_flag
408
+ 1 1 N7 A G 1 ? ? C8 A G 1 ? ? N9 A G 1 ? ? 117.54 113.10 4.44 0.50 N
409
+ 2 1 C8 A G 1 ? ? N9 A G 1 ? ? C4 A G 1 ? ? 103.51 106.40 -2.89 0.40 N
410
+ 3 1 N7 A G 2 ? ? C8 A G 2 ? ? N9 A G 2 ? ? 117.61 113.10 4.51 0.50 N
411
+ 4 1 C8 A G 2 ? ? N9 A G 2 ? ? C4 A G 2 ? ? 103.48 106.40 -2.92 0.40 N
412
+ 5 1 N7 A G 3 ? ? C8 A G 3 ? ? N9 A G 3 ? ? 117.68 113.10 4.58 0.50 N
413
+ 6 1 C8 A G 3 ? ? N9 A G 3 ? ? C4 A G 3 ? ? 103.57 106.40 -2.83 0.40 N
414
+ 7 1 N7 A A 5 ? ? C8 A A 5 ? ? N9 A A 5 ? ? 117.53 113.80 3.73 0.50 N
415
+ 8 1 N7 A A 6 ? ? C8 A A 6 ? ? N9 A A 6 ? ? 117.47 113.80 3.67 0.50 N
416
+ 9 1 N7 A G 7 ? ? C8 A G 7 ? ? N9 A G 7 ? ? 117.50 113.10 4.40 0.50 N
417
+ 10 1 C8 A G 7 ? ? N9 A G 7 ? ? C4 A G 7 ? ? 103.68 106.40 -2.72 0.40 N
418
+ #
419
+ _pdbx_nmr_ensemble.entry_id 1R4H
420
+ _pdbx_nmr_ensemble.conformers_calculated_total_number 10
421
+ _pdbx_nmr_ensemble.conformers_submitted_total_number 1
422
+ _pdbx_nmr_ensemble.conformer_selection_criteria
423
+ 'structures with acceptable covalent geometry,structures with favorable non-bond energy'
424
+ _pdbx_nmr_ensemble.average_constraints_per_residue ?
425
+ _pdbx_nmr_ensemble.average_constraint_violations_per_residue ?
426
+ _pdbx_nmr_ensemble.maximum_distance_constraint_violation ?
427
+ _pdbx_nmr_ensemble.average_distance_constraint_violation ?
428
+ _pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ?
429
+ _pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ?
430
+ _pdbx_nmr_ensemble.distance_constraint_violation_method ?
431
+ _pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ?
432
+ _pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ?
433
+ _pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ?
434
+ #
435
+ _pdbx_nmr_representative.entry_id 1R4H
436
+ _pdbx_nmr_representative.conformer_id 1
437
+ _pdbx_nmr_representative.selection_criteria 'minimized average structure'
438
+ #
439
+ _pdbx_nmr_sample_details.solution_id 1
440
+ _pdbx_nmr_sample_details.contents '10 mM phosphate, 10 mM KCL, 0.05 mM EDTA pH 6.8, 90% H2O, 10% D2O'
441
+ _pdbx_nmr_sample_details.solvent_system '90% H2O/10% D2O'
442
+ #
443
+ _pdbx_nmr_exptl_sample_conditions.conditions_id 1
444
+ _pdbx_nmr_exptl_sample_conditions.temperature 298
445
+ _pdbx_nmr_exptl_sample_conditions.pressure ambient
446
+ _pdbx_nmr_exptl_sample_conditions.pH 6.8
447
+ _pdbx_nmr_exptl_sample_conditions.ionic_strength '10 mM KCl'
448
+ _pdbx_nmr_exptl_sample_conditions.pressure_units ?
449
+ _pdbx_nmr_exptl_sample_conditions.temperature_units K
450
+ #
451
+ loop_
452
+ _pdbx_nmr_exptl.experiment_id
453
+ _pdbx_nmr_exptl.solution_id
454
+ _pdbx_nmr_exptl.conditions_id
455
+ _pdbx_nmr_exptl.type
456
+ 1 1 1 '2D NOESY'
457
+ 2 1 1 '2D TOCSY'
458
+ 3 1 1 DQF-COSY
459
+ #
460
+ _pdbx_nmr_details.entry_id 1R4H
461
+ _pdbx_nmr_details.text 'This structure was determined using standard 2D homonuclear techniques.'
462
+ #
463
+ _pdbx_nmr_refine.entry_id 1R4H
464
+ _pdbx_nmr_refine.method
465
+ 'distance geometry simulated annealing restrained molecular dynamics complete relaxation matrix'
466
+ _pdbx_nmr_refine.details ?
467
+ _pdbx_nmr_refine.software_ordinal 1
468
+ #
469
+ loop_
470
+ _pdbx_nmr_software.name
471
+ _pdbx_nmr_software.version
472
+ _pdbx_nmr_software.classification
473
+ _pdbx_nmr_software.authors
474
+ _pdbx_nmr_software.ordinal
475
+ X-PLOR 3.1 refinement 'BRUNGER, A' 1
476
+ Felix 97 'data analysis' BIOSYM 2
477
+ #
478
+ loop_
479
+ _chem_comp_atom.comp_id
480
+ _chem_comp_atom.atom_id
481
+ _chem_comp_atom.type_symbol
482
+ _chem_comp_atom.pdbx_aromatic_flag
483
+ _chem_comp_atom.pdbx_stereo_config
484
+ _chem_comp_atom.pdbx_ordinal
485
+ A OP3 O N N 1
486
+ A P P N N 2
487
+ A OP1 O N N 3
488
+ A OP2 O N N 4
489
+ A "O5'" O N N 5
490
+ A "C5'" C N N 6
491
+ A "C4'" C N R 7
492
+ A "O4'" O N N 8
493
+ A "C3'" C N S 9
494
+ A "O3'" O N N 10
495
+ A "C2'" C N R 11
496
+ A "O2'" O N N 12
497
+ A "C1'" C N R 13
498
+ A N9 N Y N 14
499
+ A C8 C Y N 15
500
+ A N7 N Y N 16
501
+ A C5 C Y N 17
502
+ A C6 C Y N 18
503
+ A N6 N N N 19
504
+ A N1 N Y N 20
505
+ A C2 C Y N 21
506
+ A N3 N Y N 22
507
+ A C4 C Y N 23
508
+ A HOP3 H N N 24
509
+ A HOP2 H N N 25
510
+ A "H5'" H N N 26
511
+ A "H5''" H N N 27
512
+ A "H4'" H N N 28
513
+ A "H3'" H N N 29
514
+ A "HO3'" H N N 30
515
+ A "H2'" H N N 31
516
+ A "HO2'" H N N 32
517
+ A "H1'" H N N 33
518
+ A H8 H N N 34
519
+ A H61 H N N 35
520
+ A H62 H N N 36
521
+ A H2 H N N 37
522
+ C OP3 O N N 38
523
+ C P P N N 39
524
+ C OP1 O N N 40
525
+ C OP2 O N N 41
526
+ C "O5'" O N N 42
527
+ C "C5'" C N N 43
528
+ C "C4'" C N R 44
529
+ C "O4'" O N N 45
530
+ C "C3'" C N S 46
531
+ C "O3'" O N N 47
532
+ C "C2'" C N R 48
533
+ C "O2'" O N N 49
534
+ C "C1'" C N R 50
535
+ C N1 N N N 51
536
+ C C2 C N N 52
537
+ C O2 O N N 53
538
+ C N3 N N N 54
539
+ C C4 C N N 55
540
+ C N4 N N N 56
541
+ C C5 C N N 57
542
+ C C6 C N N 58
543
+ C HOP3 H N N 59
544
+ C HOP2 H N N 60
545
+ C "H5'" H N N 61
546
+ C "H5''" H N N 62
547
+ C "H4'" H N N 63
548
+ C "H3'" H N N 64
549
+ C "HO3'" H N N 65
550
+ C "H2'" H N N 66
551
+ C "HO2'" H N N 67
552
+ C "H1'" H N N 68
553
+ C H41 H N N 69
554
+ C H42 H N N 70
555
+ C H5 H N N 71
556
+ C H6 H N N 72
557
+ G OP3 O N N 73
558
+ G P P N N 74
559
+ G OP1 O N N 75
560
+ G OP2 O N N 76
561
+ G "O5'" O N N 77
562
+ G "C5'" C N N 78
563
+ G "C4'" C N R 79
564
+ G "O4'" O N N 80
565
+ G "C3'" C N S 81
566
+ G "O3'" O N N 82
567
+ G "C2'" C N R 83
568
+ G "O2'" O N N 84
569
+ G "C1'" C N R 85
570
+ G N9 N Y N 86
571
+ G C8 C Y N 87
572
+ G N7 N Y N 88
573
+ G C5 C Y N 89
574
+ G C6 C N N 90
575
+ G O6 O N N 91
576
+ G N1 N N N 92
577
+ G C2 C N N 93
578
+ G N2 N N N 94
579
+ G N3 N N N 95
580
+ G C4 C Y N 96
581
+ G HOP3 H N N 97
582
+ G HOP2 H N N 98
583
+ G "H5'" H N N 99
584
+ G "H5''" H N N 100
585
+ G "H4'" H N N 101
586
+ G "H3'" H N N 102
587
+ G "HO3'" H N N 103
588
+ G "H2'" H N N 104
589
+ G "HO2'" H N N 105
590
+ G "H1'" H N N 106
591
+ G H8 H N N 107
592
+ G H1 H N N 108
593
+ G H21 H N N 109
594
+ G H22 H N N 110
595
+ #
596
+ loop_
597
+ _chem_comp_bond.comp_id
598
+ _chem_comp_bond.atom_id_1
599
+ _chem_comp_bond.atom_id_2
600
+ _chem_comp_bond.value_order
601
+ _chem_comp_bond.pdbx_aromatic_flag
602
+ _chem_comp_bond.pdbx_stereo_config
603
+ _chem_comp_bond.pdbx_ordinal
604
+ A OP3 P sing N N 1
605
+ A OP3 HOP3 sing N N 2
606
+ A P OP1 doub N N 3
607
+ A P OP2 sing N N 4
608
+ A P "O5'" sing N N 5
609
+ A OP2 HOP2 sing N N 6
610
+ A "O5'" "C5'" sing N N 7
611
+ A "C5'" "C4'" sing N N 8
612
+ A "C5'" "H5'" sing N N 9
613
+ A "C5'" "H5''" sing N N 10
614
+ A "C4'" "O4'" sing N N 11
615
+ A "C4'" "C3'" sing N N 12
616
+ A "C4'" "H4'" sing N N 13
617
+ A "O4'" "C1'" sing N N 14
618
+ A "C3'" "O3'" sing N N 15
619
+ A "C3'" "C2'" sing N N 16
620
+ A "C3'" "H3'" sing N N 17
621
+ A "O3'" "HO3'" sing N N 18
622
+ A "C2'" "O2'" sing N N 19
623
+ A "C2'" "C1'" sing N N 20
624
+ A "C2'" "H2'" sing N N 21
625
+ A "O2'" "HO2'" sing N N 22
626
+ A "C1'" N9 sing N N 23
627
+ A "C1'" "H1'" sing N N 24
628
+ A N9 C8 sing Y N 25
629
+ A N9 C4 sing Y N 26
630
+ A C8 N7 doub Y N 27
631
+ A C8 H8 sing N N 28
632
+ A N7 C5 sing Y N 29
633
+ A C5 C6 sing Y N 30
634
+ A C5 C4 doub Y N 31
635
+ A C6 N6 sing N N 32
636
+ A C6 N1 doub Y N 33
637
+ A N6 H61 sing N N 34
638
+ A N6 H62 sing N N 35
639
+ A N1 C2 sing Y N 36
640
+ A C2 N3 doub Y N 37
641
+ A C2 H2 sing N N 38
642
+ A N3 C4 sing Y N 39
643
+ C OP3 P sing N N 40
644
+ C OP3 HOP3 sing N N 41
645
+ C P OP1 doub N N 42
646
+ C P OP2 sing N N 43
647
+ C P "O5'" sing N N 44
648
+ C OP2 HOP2 sing N N 45
649
+ C "O5'" "C5'" sing N N 46
650
+ C "C5'" "C4'" sing N N 47
651
+ C "C5'" "H5'" sing N N 48
652
+ C "C5'" "H5''" sing N N 49
653
+ C "C4'" "O4'" sing N N 50
654
+ C "C4'" "C3'" sing N N 51
655
+ C "C4'" "H4'" sing N N 52
656
+ C "O4'" "C1'" sing N N 53
657
+ C "C3'" "O3'" sing N N 54
658
+ C "C3'" "C2'" sing N N 55
659
+ C "C3'" "H3'" sing N N 56
660
+ C "O3'" "HO3'" sing N N 57
661
+ C "C2'" "O2'" sing N N 58
662
+ C "C2'" "C1'" sing N N 59
663
+ C "C2'" "H2'" sing N N 60
664
+ C "O2'" "HO2'" sing N N 61
665
+ C "C1'" N1 sing N N 62
666
+ C "C1'" "H1'" sing N N 63
667
+ C N1 C2 sing N N 64
668
+ C N1 C6 sing N N 65
669
+ C C2 O2 doub N N 66
670
+ C C2 N3 sing N N 67
671
+ C N3 C4 doub N N 68
672
+ C C4 N4 sing N N 69
673
+ C C4 C5 sing N N 70
674
+ C N4 H41 sing N N 71
675
+ C N4 H42 sing N N 72
676
+ C C5 C6 doub N N 73
677
+ C C5 H5 sing N N 74
678
+ C C6 H6 sing N N 75
679
+ G OP3 P sing N N 76
680
+ G OP3 HOP3 sing N N 77
681
+ G P OP1 doub N N 78
682
+ G P OP2 sing N N 79
683
+ G P "O5'" sing N N 80
684
+ G OP2 HOP2 sing N N 81
685
+ G "O5'" "C5'" sing N N 82
686
+ G "C5'" "C4'" sing N N 83
687
+ G "C5'" "H5'" sing N N 84
688
+ G "C5'" "H5''" sing N N 85
689
+ G "C4'" "O4'" sing N N 86
690
+ G "C4'" "C3'" sing N N 87
691
+ G "C4'" "H4'" sing N N 88
692
+ G "O4'" "C1'" sing N N 89
693
+ G "C3'" "O3'" sing N N 90
694
+ G "C3'" "C2'" sing N N 91
695
+ G "C3'" "H3'" sing N N 92
696
+ G "O3'" "HO3'" sing N N 93
697
+ G "C2'" "O2'" sing N N 94
698
+ G "C2'" "C1'" sing N N 95
699
+ G "C2'" "H2'" sing N N 96
700
+ G "O2'" "HO2'" sing N N 97
701
+ G "C1'" N9 sing N N 98
702
+ G "C1'" "H1'" sing N N 99
703
+ G N9 C8 sing Y N 100
704
+ G N9 C4 sing Y N 101
705
+ G C8 N7 doub Y N 102
706
+ G C8 H8 sing N N 103
707
+ G N7 C5 sing Y N 104
708
+ G C5 C6 sing N N 105
709
+ G C5 C4 doub Y N 106
710
+ G C6 O6 doub N N 107
711
+ G C6 N1 sing N N 108
712
+ G N1 C2 sing N N 109
713
+ G N1 H1 sing N N 110
714
+ G C2 N2 sing N N 111
715
+ G C2 N3 doub N N 112
716
+ G N2 H21 sing N N 113
717
+ G N2 H22 sing N N 114
718
+ G N3 C4 sing N N 115
719
+ #
720
+ loop_
721
+ _ndb_struct_conf_na.entry_id
722
+ _ndb_struct_conf_na.feature
723
+ 1R4H 'double helix'
724
+ 1R4H 'hairpin loop'
725
+ #
726
+ loop_
727
+ _ndb_struct_na_base_pair.model_number
728
+ _ndb_struct_na_base_pair.i_label_asym_id
729
+ _ndb_struct_na_base_pair.i_label_comp_id
730
+ _ndb_struct_na_base_pair.i_label_seq_id
731
+ _ndb_struct_na_base_pair.i_symmetry
732
+ _ndb_struct_na_base_pair.j_label_asym_id
733
+ _ndb_struct_na_base_pair.j_label_comp_id
734
+ _ndb_struct_na_base_pair.j_label_seq_id
735
+ _ndb_struct_na_base_pair.j_symmetry
736
+ _ndb_struct_na_base_pair.shear
737
+ _ndb_struct_na_base_pair.stretch
738
+ _ndb_struct_na_base_pair.stagger
739
+ _ndb_struct_na_base_pair.buckle
740
+ _ndb_struct_na_base_pair.propeller
741
+ _ndb_struct_na_base_pair.opening
742
+ _ndb_struct_na_base_pair.pair_number
743
+ _ndb_struct_na_base_pair.pair_name
744
+ _ndb_struct_na_base_pair.i_auth_asym_id
745
+ _ndb_struct_na_base_pair.i_auth_seq_id
746
+ _ndb_struct_na_base_pair.i_PDB_ins_code
747
+ _ndb_struct_na_base_pair.j_auth_asym_id
748
+ _ndb_struct_na_base_pair.j_auth_seq_id
749
+ _ndb_struct_na_base_pair.j_PDB_ins_code
750
+ _ndb_struct_na_base_pair.hbond_type_28
751
+ _ndb_struct_na_base_pair.hbond_type_12
752
+ 1 A G 2 1_555 A C 9 1_555 -0.271 -0.145 -0.353 40.101 12.405 -6.493 1 A_G2:C9_A A 2 ? A 9 ? 19 1
753
+ 1 A G 3 1_555 A C 8 1_555 -0.201 0.278 1.031 46.809 22.121 -9.012 2 A_G3:C8_A A 3 ? A 8 ? 19 1
754
+ 1 A C 4 1_555 A G 7 1_555 0.283 -0.552 0.907 55.681 -3.665 -18.422 3 A_C4:G7_A A 4 ? A 7 ? 19 1
755
+ #
756
+ loop_
757
+ _ndb_struct_na_base_pair_step.model_number
758
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
759
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
760
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
761
+ _ndb_struct_na_base_pair_step.i_symmetry_1
762
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
763
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
764
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
765
+ _ndb_struct_na_base_pair_step.j_symmetry_1
766
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
767
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
768
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
769
+ _ndb_struct_na_base_pair_step.i_symmetry_2
770
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
771
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
772
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
773
+ _ndb_struct_na_base_pair_step.j_symmetry_2
774
+ _ndb_struct_na_base_pair_step.shift
775
+ _ndb_struct_na_base_pair_step.slide
776
+ _ndb_struct_na_base_pair_step.rise
777
+ _ndb_struct_na_base_pair_step.tilt
778
+ _ndb_struct_na_base_pair_step.roll
779
+ _ndb_struct_na_base_pair_step.twist
780
+ _ndb_struct_na_base_pair_step.x_displacement
781
+ _ndb_struct_na_base_pair_step.y_displacement
782
+ _ndb_struct_na_base_pair_step.helical_rise
783
+ _ndb_struct_na_base_pair_step.inclination
784
+ _ndb_struct_na_base_pair_step.tip
785
+ _ndb_struct_na_base_pair_step.helical_twist
786
+ _ndb_struct_na_base_pair_step.step_number
787
+ _ndb_struct_na_base_pair_step.step_name
788
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
789
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
790
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
791
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
792
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
793
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
794
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
795
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
796
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
797
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
798
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
799
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
800
+ 1 A G 2 1_555 A C 9 1_555 A G 3 1_555 A C 8 1_555 0.069 -0.624 3.670 -8.719 22.491 25.381 -4.673 -1.523 2.277 41.216 15.977
801
+ 34.878 1 AA_G2G3:C8C9_AA A 2 ? A 9 ? A 3 ? A 8 ?
802
+ 1 A G 3 1_555 A C 8 1_555 A C 4 1_555 A G 7 1_555 -0.878 -0.463 3.610 4.144 6.632 22.007 -3.547 3.673 3.123 16.709 -10.441
803
+ 23.339 2 AA_G3C4:G7C8_AA A 3 ? A 8 ? A 4 ? A 7 ?
804
+ #
805
+ loop_
806
+ _pdbx_nmr_spectrometer.spectrometer_id
807
+ _pdbx_nmr_spectrometer.type
808
+ _pdbx_nmr_spectrometer.manufacturer
809
+ _pdbx_nmr_spectrometer.model
810
+ _pdbx_nmr_spectrometer.field_strength
811
+ 1 ? Varian UNITYPLUS 750
812
+ 2 ? Varian UNITYPLUS 600
813
+ #
814
+ _atom_sites.entry_id 1R4H
815
+ _atom_sites.fract_transf_matrix[1][1] 1.000000
816
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
817
+ _atom_sites.fract_transf_matrix[1][3] 0.000000
818
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
819
+ _atom_sites.fract_transf_matrix[2][2] 1.000000
820
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
821
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
822
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
823
+ _atom_sites.fract_transf_matrix[3][3] 1.000000
824
+ _atom_sites.fract_transf_vector[1] 0.00000
825
+ _atom_sites.fract_transf_vector[2] 0.00000
826
+ _atom_sites.fract_transf_vector[3] 0.00000
827
+ #
828
+ loop_
829
+ _atom_type.symbol
830
+ C
831
+ H
832
+ N
833
+ O
834
+ P
835
+ #
836
+ loop_
837
+ _atom_site.group_PDB
838
+ _atom_site.id
839
+ _atom_site.type_symbol
840
+ _atom_site.label_atom_id
841
+ _atom_site.label_alt_id
842
+ _atom_site.label_comp_id
843
+ _atom_site.label_asym_id
844
+ _atom_site.label_entity_id
845
+ _atom_site.label_seq_id
846
+ _atom_site.pdbx_PDB_ins_code
847
+ _atom_site.Cartn_x
848
+ _atom_site.Cartn_y
849
+ _atom_site.Cartn_z
850
+ _atom_site.occupancy
851
+ _atom_site.B_iso_or_equiv
852
+ _atom_site.pdbx_formal_charge
853
+ _atom_site.auth_seq_id
854
+ _atom_site.auth_comp_id
855
+ _atom_site.auth_asym_id
856
+ _atom_site.auth_atom_id
857
+ _atom_site.pdbx_PDB_model_num
858
+ ATOM 1 O "O5'" . G A 1 1 ? -7.527 -6.263 13.857 1.00 0.00 ? 1 G A "O5'" 1
859
+ ATOM 2 C "C5'" . G A 1 1 ? -8.654 -5.503 14.317 1.00 0.00 ? 1 G A "C5'" 1
860
+ ATOM 3 C "C4'" . G A 1 1 ? -8.883 -4.244 13.490 1.00 0.00 ? 1 G A "C4'" 1
861
+ ATOM 4 O "O4'" . G A 1 1 ? -9.090 -3.101 14.330 1.00 0.00 ? 1 G A "O4'" 1
862
+ ATOM 5 C "C3'" . G A 1 1 ? -7.663 -3.910 12.642 1.00 0.00 ? 1 G A "C3'" 1
863
+ ATOM 6 O "O3'" . G A 1 1 ? -7.670 -4.565 11.360 1.00 0.00 ? 1 G A "O3'" 1
864
+ ATOM 7 C "C2'" . G A 1 1 ? -7.791 -2.404 12.475 1.00 0.00 ? 1 G A "C2'" 1
865
+ ATOM 8 O "O2'" . G A 1 1 ? -8.621 -2.068 11.359 1.00 0.00 ? 1 G A "O2'" 1
866
+ ATOM 9 C "C1'" . G A 1 1 ? -8.425 -1.950 13.787 1.00 0.00 ? 1 G A "C1'" 1
867
+ ATOM 10 N N9 . G A 1 1 ? -7.430 -1.391 14.737 1.00 0.00 ? 1 G A N9 1
868
+ ATOM 11 C C8 . G A 1 1 ? -6.105 -1.661 14.892 1.00 0.00 ? 1 G A C8 1
869
+ ATOM 12 N N7 . G A 1 1 ? -5.463 -1.001 15.798 1.00 0.00 ? 1 G A N7 1
870
+ ATOM 13 C C5 . G A 1 1 ? -6.467 -0.183 16.325 1.00 0.00 ? 1 G A C5 1
871
+ ATOM 14 C C6 . G A 1 1 ? -6.402 0.786 17.363 1.00 0.00 ? 1 G A C6 1
872
+ ATOM 15 O O6 . G A 1 1 ? -5.423 1.132 18.026 1.00 0.00 ? 1 G A O6 1
873
+ ATOM 16 N N1 . G A 1 1 ? -7.639 1.381 17.583 1.00 0.00 ? 1 G A N1 1
874
+ ATOM 17 C C2 . G A 1 1 ? -8.797 1.088 16.892 1.00 0.00 ? 1 G A C2 1
875
+ ATOM 18 N N2 . G A 1 1 ? -9.885 1.774 17.245 1.00 0.00 ? 1 G A N2 1
876
+ ATOM 19 N N3 . G A 1 1 ? -8.866 0.179 15.915 1.00 0.00 ? 1 G A N3 1
877
+ ATOM 20 C C4 . G A 1 1 ? -7.673 -0.417 15.682 1.00 0.00 ? 1 G A C4 1
878
+ ATOM 21 H "H5'" . G A 1 1 ? -8.481 -5.183 15.335 1.00 0.00 ? 1 G A "H5'" 1
879
+ ATOM 22 H "H5''" . G A 1 1 ? -9.546 -6.147 14.279 1.00 0.00 ? 1 G A "H5''" 1
880
+ ATOM 23 H "H4'" . G A 1 1 ? -9.753 -4.381 12.848 1.00 0.00 ? 1 G A "H4'" 1
881
+ ATOM 24 H "H3'" . G A 1 1 ? -6.750 -4.151 13.192 1.00 0.00 ? 1 G A "H3'" 1
882
+ ATOM 25 H "H2'" . G A 1 1 ? -6.800 -1.956 12.365 1.00 0.00 ? 1 G A "H2'" 1
883
+ ATOM 26 H "HO2'" . G A 1 1 ? -8.666 -1.110 11.314 1.00 0.00 ? 1 G A "HO2'" 1
884
+ ATOM 27 H "H1'" . G A 1 1 ? -9.172 -1.185 13.566 1.00 0.00 ? 1 G A "H1'" 1
885
+ ATOM 28 H H8 . G A 1 1 ? -5.599 -2.403 14.276 1.00 0.00 ? 1 G A H8 1
886
+ ATOM 29 H H1 . G A 1 1 ? -7.672 2.076 18.314 1.00 0.00 ? 1 G A H1 1
887
+ ATOM 30 H H21 . G A 1 1 ? -9.832 2.463 17.983 1.00 0.00 ? 1 G A H21 1
888
+ ATOM 31 H H22 . G A 1 1 ? -10.763 1.606 16.774 1.00 0.00 ? 1 G A H22 1
889
+ ATOM 32 H "HO5'" . G A 1 1 ? -7.586 -7.133 14.259 1.00 0.00 ? 1 G A "HO5'" 1
890
+ ATOM 33 P P . G A 1 2 ? -8.982 -4.562 10.417 1.00 0.00 ? 2 G A P 1
891
+ ATOM 34 O OP1 . G A 1 2 ? -10.180 -4.456 11.282 1.00 0.00 ? 2 G A OP1 1
892
+ ATOM 35 O OP2 . G A 1 2 ? -8.864 -5.684 9.459 1.00 0.00 ? 2 G A OP2 1
893
+ ATOM 36 O "O5'" . G A 1 2 ? -8.828 -3.182 9.596 1.00 0.00 ? 2 G A "O5'" 1
894
+ ATOM 37 C "C5'" . G A 1 2 ? -9.983 -2.401 9.249 1.00 0.00 ? 2 G A "C5'" 1
895
+ ATOM 38 C "C4'" . G A 1 2 ? -9.615 -1.053 8.640 1.00 0.00 ? 2 G A "C4'" 1
896
+ ATOM 39 O "O4'" . G A 1 2 ? -9.386 -0.065 9.652 1.00 0.00 ? 2 G A "O4'" 1
897
+ ATOM 40 C "C3'" . G A 1 2 ? -8.311 -1.135 7.859 1.00 0.00 ? 2 G A "C3'" 1
898
+ ATOM 41 O "O3'" . G A 1 2 ? -8.558 -1.566 6.514 1.00 0.00 ? 2 G A "O3'" 1
899
+ ATOM 42 C "C2'" . G A 1 2 ? -7.812 0.298 7.929 1.00 0.00 ? 2 G A "C2'" 1
900
+ ATOM 43 O "O2'" . G A 1 2 ? -8.380 1.098 6.885 1.00 0.00 ? 2 G A "O2'" 1
901
+ ATOM 44 C "C1'" . G A 1 2 ? -8.277 0.775 9.300 1.00 0.00 ? 2 G A "C1'" 1
902
+ ATOM 45 N N9 . G A 1 2 ? -7.199 0.700 10.318 1.00 0.00 ? 2 G A N9 1
903
+ ATOM 46 C C8 . G A 1 2 ? -6.283 -0.277 10.557 1.00 0.00 ? 2 G A C8 1
904
+ ATOM 47 N N7 . G A 1 2 ? -5.450 -0.092 11.525 1.00 0.00 ? 2 G A N7 1
905
+ ATOM 48 C C5 . G A 1 2 ? -5.842 1.160 12.007 1.00 0.00 ? 2 G A C5 1
906
+ ATOM 49 C C6 . G A 1 2 ? -5.312 1.927 13.080 1.00 0.00 ? 2 G A C6 1
907
+ ATOM 50 O O6 . G A 1 2 ? -4.380 1.647 13.830 1.00 0.00 ? 2 G A O6 1
908
+ ATOM 51 N N1 . G A 1 2 ? -5.994 3.128 13.233 1.00 0.00 ? 2 G A N1 1
909
+ ATOM 52 C C2 . G A 1 2 ? -7.057 3.544 12.455 1.00 0.00 ? 2 G A C2 1
910
+ ATOM 53 N N2 . G A 1 2 ? -7.586 4.729 12.761 1.00 0.00 ? 2 G A N2 1
911
+ ATOM 54 N N3 . G A 1 2 ? -7.561 2.827 11.444 1.00 0.00 ? 2 G A N3 1
912
+ ATOM 55 C C4 . G A 1 2 ? -6.911 1.652 11.275 1.00 0.00 ? 2 G A C4 1
913
+ ATOM 56 H "H5'" . G A 1 2 ? -10.558 -2.194 10.143 1.00 0.00 ? 2 G A "H5'" 1
914
+ ATOM 57 H "H5''" . G A 1 2 ? -10.596 -2.980 8.542 1.00 0.00 ? 2 G A "H5''" 1
915
+ ATOM 58 H "H4'" . G A 1 2 ? -10.417 -0.717 7.982 1.00 0.00 ? 2 G A "H4'" 1
916
+ ATOM 59 H "H3'" . G A 1 2 ? -7.608 -1.804 8.362 1.00 0.00 ? 2 G A "H3'" 1
917
+ ATOM 60 H "H2'" . G A 1 2 ? -6.723 0.316 7.876 1.00 0.00 ? 2 G A "H2'" 1
918
+ ATOM 61 H "HO2'" . G A 1 2 ? -7.925 1.943 6.894 1.00 0.00 ? 2 G A "HO2'" 1
919
+ ATOM 62 H "H1'" . G A 1 2 ? -8.618 1.805 9.214 1.00 0.00 ? 2 G A "H1'" 1
920
+ ATOM 63 H H8 . G A 1 2 ? -6.259 -1.189 9.962 1.00 0.00 ? 2 G A H8 1
921
+ ATOM 64 H H1 . G A 1 2 ? -5.668 3.730 13.977 1.00 0.00 ? 2 G A H1 1
922
+ ATOM 65 H H21 . G A 1 2 ? -7.206 5.270 13.524 1.00 0.00 ? 2 G A H21 1
923
+ ATOM 66 H H22 . G A 1 2 ? -8.367 5.086 12.229 1.00 0.00 ? 2 G A H22 1
924
+ ATOM 67 P P . G A 1 3 ? -7.426 -2.351 5.677 1.00 0.00 ? 3 G A P 1
925
+ ATOM 68 O OP1 . G A 1 3 ? -8.022 -3.598 5.148 1.00 0.00 ? 3 G A OP1 1
926
+ ATOM 69 O OP2 . G A 1 3 ? -6.197 -2.412 6.500 1.00 0.00 ? 3 G A OP2 1
927
+ ATOM 70 O "O5'" . G A 1 3 ? -7.153 -1.357 4.439 1.00 0.00 ? 3 G A "O5'" 1
928
+ ATOM 71 C "C5'" . G A 1 3 ? -7.957 -0.182 4.251 1.00 0.00 ? 3 G A "C5'" 1
929
+ ATOM 72 C "C4'" . G A 1 3 ? -7.117 1.068 4.028 1.00 0.00 ? 3 G A "C4'" 1
930
+ ATOM 73 O "O4'" . G A 1 3 ? -6.997 1.841 5.228 1.00 0.00 ? 3 G A "O4'" 1
931
+ ATOM 74 C "C3'" . G A 1 3 ? -5.695 0.713 3.624 1.00 0.00 ? 3 G A "C3'" 1
932
+ ATOM 75 O "O3'" . G A 1 3 ? -5.739 0.504 2.206 1.00 0.00 ? 3 G A "O3'" 1
933
+ ATOM 76 C "C2'" . G A 1 3 ? -4.920 1.934 4.089 1.00 0.00 ? 3 G A "C2'" 1
934
+ ATOM 77 O "O2'" . G A 1 3 ? -4.925 2.965 3.096 1.00 0.00 ? 3 G A "O2'" 1
935
+ ATOM 78 C "C1'" . G A 1 3 ? -5.669 2.373 5.342 1.00 0.00 ? 3 G A "C1'" 1
936
+ ATOM 79 N N9 . G A 1 3 ? -5.006 1.912 6.585 1.00 0.00 ? 3 G A N9 1
937
+ ATOM 80 C C8 . G A 1 3 ? -4.877 0.660 7.092 1.00 0.00 ? 3 G A C8 1
938
+ ATOM 81 N N7 . G A 1 3 ? -4.269 0.531 8.223 1.00 0.00 ? 3 G A N7 1
939
+ ATOM 82 C C5 . G A 1 3 ? -3.947 1.856 8.529 1.00 0.00 ? 3 G A C5 1
940
+ ATOM 83 C C6 . G A 1 3 ? -3.268 2.391 9.658 1.00 0.00 ? 3 G A C6 1
941
+ ATOM 84 O O6 . G A 1 3 ? -2.811 1.790 10.627 1.00 0.00 ? 3 G A O6 1
942
+ ATOM 85 N N1 . G A 1 3 ? -3.152 3.774 9.576 1.00 0.00 ? 3 G A N1 1
943
+ ATOM 86 C C2 . G A 1 3 ? -3.630 4.551 8.539 1.00 0.00 ? 3 G A C2 1
944
+ ATOM 87 N N2 . G A 1 3 ? -3.425 5.865 8.639 1.00 0.00 ? 3 G A N2 1
945
+ ATOM 88 N N3 . G A 1 3 ? -4.270 4.055 7.474 1.00 0.00 ? 3 G A N3 1
946
+ ATOM 89 C C4 . G A 1 3 ? -4.394 2.709 7.531 1.00 0.00 ? 3 G A C4 1
947
+ ATOM 90 H "H5'" . G A 1 3 ? -8.553 -0.007 5.136 1.00 0.00 ? 3 G A "H5'" 1
948
+ ATOM 91 H "H5''" . G A 1 3 ? -8.620 -0.350 3.388 1.00 0.00 ? 3 G A "H5''" 1
949
+ ATOM 92 H "H4'" . G A 1 3 ? -7.575 1.681 3.251 1.00 0.00 ? 3 G A "H4'" 1
950
+ ATOM 93 H "H3'" . G A 1 3 ? -5.354 -0.183 4.148 1.00 0.00 ? 3 G A "H3'" 1
951
+ ATOM 94 H "H2'" . G A 1 3 ? -3.898 1.651 4.346 1.00 0.00 ? 3 G A "H2'" 1
952
+ ATOM 95 H "HO2'" . G A 1 3 ? -4.363 3.674 3.417 1.00 0.00 ? 3 G A "HO2'" 1
953
+ ATOM 96 H "H1'" . G A 1 3 ? -5.719 3.458 5.349 1.00 0.00 ? 3 G A "H1'" 1
954
+ ATOM 97 H H8 . G A 1 3 ? -5.290 -0.204 6.574 1.00 0.00 ? 3 G A H8 1
955
+ ATOM 98 H H1 . G A 1 3 ? -2.676 4.226 10.346 1.00 0.00 ? 3 G A H1 1
956
+ ATOM 99 H H21 . G A 1 3 ? -2.942 6.242 9.442 1.00 0.00 ? 3 G A H21 1
957
+ ATOM 100 H H22 . G A 1 3 ? -3.753 6.484 7.911 1.00 0.00 ? 3 G A H22 1
958
+ ATOM 101 P P . C A 1 4 ? -4.559 -0.278 1.440 1.00 0.00 ? 4 C A P 1
959
+ ATOM 102 O OP1 . C A 1 4 ? -5.162 -1.401 0.687 1.00 0.00 ? 4 C A OP1 1
960
+ ATOM 103 O OP2 . C A 1 4 ? -3.468 -0.539 2.405 1.00 0.00 ? 4 C A OP2 1
961
+ ATOM 104 O "O5'" . C A 1 4 ? -4.045 0.823 0.380 1.00 0.00 ? 4 C A "O5'" 1
962
+ ATOM 105 C "C5'" . C A 1 4 ? -4.461 2.192 0.478 1.00 0.00 ? 4 C A "C5'" 1
963
+ ATOM 106 C "C4'" . C A 1 4 ? -3.266 3.134 0.630 1.00 0.00 ? 4 C A "C4'" 1
964
+ ATOM 107 O "O4'" . C A 1 4 ? -3.273 3.823 1.894 1.00 0.00 ? 4 C A "O4'" 1
965
+ ATOM 108 C "C3'" . C A 1 4 ? -1.954 2.364 0.637 1.00 0.00 ? 4 C A "C3'" 1
966
+ ATOM 109 O "O3'" . C A 1 4 ? -1.512 1.929 -0.658 1.00 0.00 ? 4 C A "O3'" 1
967
+ ATOM 110 C "C2'" . C A 1 4 ? -1.066 3.441 1.234 1.00 0.00 ? 4 C A "C2'" 1
968
+ ATOM 111 O "O2'" . C A 1 4 ? -0.765 4.465 0.278 1.00 0.00 ? 4 C A "O2'" 1
969
+ ATOM 112 C "C1'" . C A 1 4 ? -1.922 3.975 2.365 1.00 0.00 ? 4 C A "C1'" 1
970
+ ATOM 113 N N1 . C A 1 4 ? -1.679 3.220 3.616 1.00 0.00 ? 4 C A N1 1
971
+ ATOM 114 C C2 . C A 1 4 ? -1.183 3.922 4.707 1.00 0.00 ? 4 C A C2 1
972
+ ATOM 115 O O2 . C A 1 4 ? -1.075 5.147 4.659 1.00 0.00 ? 4 C A O2 1
973
+ ATOM 116 N N3 . C A 1 4 ? -0.837 3.220 5.822 1.00 0.00 ? 4 C A N3 1
974
+ ATOM 117 C C4 . C A 1 4 ? -0.970 1.888 5.864 1.00 0.00 ? 4 C A C4 1
975
+ ATOM 118 N N4 . C A 1 4 ? -0.610 1.226 6.962 1.00 0.00 ? 4 C A N4 1
976
+ ATOM 119 C C5 . C A 1 4 ? -1.485 1.167 4.747 1.00 0.00 ? 4 C A C5 1
977
+ ATOM 120 C C6 . C A 1 4 ? -1.835 1.866 3.657 1.00 0.00 ? 4 C A C6 1
978
+ ATOM 121 H "H5'" . C A 1 4 ? -5.117 2.307 1.340 1.00 0.00 ? 4 C A "H5'" 1
979
+ ATOM 122 H "H5''" . C A 1 4 ? -5.012 2.459 -0.425 1.00 0.00 ? 4 C A "H5''" 1
980
+ ATOM 123 H "H4'" . C A 1 4 ? -3.264 3.862 -0.180 1.00 0.00 ? 4 C A "H4'" 1
981
+ ATOM 124 H "H3'" . C A 1 4 ? -2.026 1.518 1.331 1.00 0.00 ? 4 C A "H3'" 1
982
+ ATOM 125 H "H2'" . C A 1 4 ? -0.153 3.006 1.640 1.00 0.00 ? 4 C A "H2'" 1
983
+ ATOM 126 H "HO2'" . C A 1 4 ? -0.472 4.029 -0.526 1.00 0.00 ? 4 C A "HO2'" 1
984
+ ATOM 127 H "H1'" . C A 1 4 ? -1.685 5.021 2.517 1.00 0.00 ? 4 C A "H1'" 1
985
+ ATOM 128 H H41 . C A 1 4 ? -0.245 1.727 7.755 1.00 0.00 ? 4 C A H41 1
986
+ ATOM 129 H H42 . C A 1 4 ? -0.702 0.221 6.999 1.00 0.00 ? 4 C A H42 1
987
+ ATOM 130 H H5 . C A 1 4 ? -1.525 0.081 4.748 1.00 0.00 ? 4 C A H5 1
988
+ ATOM 131 H H6 . C A 1 4 ? -2.301 1.351 2.819 1.00 0.00 ? 4 C A H6 1
989
+ ATOM 132 P P . A A 1 5 ? -1.010 0.410 -0.880 1.00 0.00 ? 5 A A P 1
990
+ ATOM 133 O OP1 . A A 1 5 ? 0.030 0.413 -1.933 1.00 0.00 ? 5 A A OP1 1
991
+ ATOM 134 O OP2 . A A 1 5 ? -2.202 -0.456 -1.026 1.00 0.00 ? 5 A A OP2 1
992
+ ATOM 135 O "O5'" . A A 1 5 ? -0.302 0.063 0.531 1.00 0.00 ? 5 A A "O5'" 1
993
+ ATOM 136 C "C5'" . A A 1 5 ? 0.325 -1.208 0.751 1.00 0.00 ? 5 A A "C5'" 1
994
+ ATOM 137 C "C4'" . A A 1 5 ? 1.379 -1.143 1.865 1.00 0.00 ? 5 A A "C4'" 1
995
+ ATOM 138 O "O4'" . A A 1 5 ? 2.461 -0.278 1.512 1.00 0.00 ? 5 A A "O4'" 1
996
+ ATOM 139 C "C3'" . A A 1 5 ? 0.807 -0.566 3.156 1.00 0.00 ? 5 A A "C3'" 1
997
+ ATOM 140 O "O3'" . A A 1 5 ? 1.395 -0.990 4.403 1.00 0.00 ? 5 A A "O3'" 1
998
+ ATOM 141 C "C2'" . A A 1 5 ? 1.050 0.926 3.017 1.00 0.00 ? 5 A A "C2'" 1
999
+ ATOM 142 O "O2'" . A A 1 5 ? 1.243 1.541 4.296 1.00 0.00 ? 5 A A "O2'" 1
1000
+ ATOM 143 C "C1'" . A A 1 5 ? 2.321 0.980 2.191 1.00 0.00 ? 5 A A "C1'" 1
1001
+ ATOM 144 N N9 . A A 1 5 ? 2.260 2.075 1.212 1.00 0.00 ? 5 A A N9 1
1002
+ ATOM 145 C C8 . A A 1 5 ? 1.367 2.282 0.222 1.00 0.00 ? 5 A A C8 1
1003
+ ATOM 146 N N7 . A A 1 5 ? 1.543 3.315 -0.535 1.00 0.00 ? 5 A A N7 1
1004
+ ATOM 147 C C5 . A A 1 5 ? 2.701 3.874 0.022 1.00 0.00 ? 5 A A C5 1
1005
+ ATOM 148 C C6 . A A 1 5 ? 3.456 5.010 -0.295 1.00 0.00 ? 5 A A C6 1
1006
+ ATOM 149 N N6 . A A 1 5 ? 3.153 5.832 -1.300 1.00 0.00 ? 5 A A N6 1
1007
+ ATOM 150 N N1 . A A 1 5 ? 4.537 5.264 0.466 1.00 0.00 ? 5 A A N1 1
1008
+ ATOM 151 C C2 . A A 1 5 ? 4.858 4.453 1.476 1.00 0.00 ? 5 A A C2 1
1009
+ ATOM 152 N N3 . A A 1 5 ? 4.216 3.356 1.859 1.00 0.00 ? 5 A A N3 1
1010
+ ATOM 153 C C4 . A A 1 5 ? 3.140 3.123 1.086 1.00 0.00 ? 5 A A C4 1
1011
+ ATOM 154 H "H5'" . A A 1 5 ? 0.807 -1.530 -0.173 1.00 0.00 ? 5 A A "H5'" 1
1012
+ ATOM 155 H "H5''" . A A 1 5 ? -0.438 -1.938 1.025 1.00 0.00 ? 5 A A "H5''" 1
1013
+ ATOM 156 H "H4'" . A A 1 5 ? 1.769 -2.143 2.055 1.00 0.00 ? 5 A A "H4'" 1
1014
+ ATOM 157 H "H3'" . A A 1 5 ? -0.271 -0.742 3.168 1.00 0.00 ? 5 A A "H3'" 1
1015
+ ATOM 158 H "H2'" . A A 1 5 ? 0.235 1.401 2.483 1.00 0.00 ? 5 A A "H2'" 1
1016
+ ATOM 159 H "HO2'" . A A 1 5 ? 1.425 0.839 4.926 1.00 0.00 ? 5 A A "HO2'" 1
1017
+ ATOM 160 H "H1'" . A A 1 5 ? 3.157 1.139 2.850 1.00 0.00 ? 5 A A "H1'" 1
1018
+ ATOM 161 H H8 . A A 1 5 ? 0.514 1.610 0.088 1.00 0.00 ? 5 A A H8 1
1019
+ ATOM 162 H H61 . A A 1 5 ? 3.733 6.638 -1.485 1.00 0.00 ? 5 A A H61 1
1020
+ ATOM 163 H H62 . A A 1 5 ? 2.345 5.648 -1.876 1.00 0.00 ? 5 A A H62 1
1021
+ ATOM 164 H H2 . A A 1 5 ? 5.739 4.722 2.056 1.00 0.00 ? 5 A A H2 1
1022
+ ATOM 165 P P . A A 1 6 ? 2.957 -1.389 4.529 1.00 0.00 ? 6 A A P 1
1023
+ ATOM 166 O OP1 . A A 1 6 ? 3.428 -1.865 3.209 1.00 0.00 ? 6 A A OP1 1
1024
+ ATOM 167 O OP2 . A A 1 6 ? 3.113 -2.257 5.718 1.00 0.00 ? 6 A A OP2 1
1025
+ ATOM 168 O "O5'" . A A 1 6 ? 3.672 0.025 4.846 1.00 0.00 ? 6 A A "O5'" 1
1026
+ ATOM 169 C "C5'" . A A 1 6 ? 4.683 0.542 3.970 1.00 0.00 ? 6 A A "C5'" 1
1027
+ ATOM 170 C "C4'" . A A 1 6 ? 5.749 1.349 4.716 1.00 0.00 ? 6 A A "C4'" 1
1028
+ ATOM 171 O "O4'" . A A 1 6 ? 5.729 2.733 4.344 1.00 0.00 ? 6 A A "O4'" 1
1029
+ ATOM 172 C "C3'" . A A 1 6 ? 5.543 1.342 6.225 1.00 0.00 ? 6 A A "C3'" 1
1030
+ ATOM 173 O "O3'" . A A 1 6 ? 6.885 1.296 6.738 1.00 0.00 ? 6 A A "O3'" 1
1031
+ ATOM 174 C "C2'" . A A 1 6 ? 4.674 2.560 6.463 1.00 0.00 ? 6 A A "C2'" 1
1032
+ ATOM 175 O "O2'" . A A 1 6 ? 4.903 3.112 7.762 1.00 0.00 ? 6 A A "O2'" 1
1033
+ ATOM 176 C "C1'" . A A 1 6 ? 5.106 3.528 5.368 1.00 0.00 ? 6 A A "C1'" 1
1034
+ ATOM 177 N N9 . A A 1 6 ? 3.931 4.243 4.837 1.00 0.00 ? 6 A A N9 1
1035
+ ATOM 178 C C8 . A A 1 6 ? 2.698 3.762 4.544 1.00 0.00 ? 6 A A C8 1
1036
+ ATOM 179 N N7 . A A 1 6 ? 1.822 4.600 4.098 1.00 0.00 ? 6 A A N7 1
1037
+ ATOM 180 C C5 . A A 1 6 ? 2.551 5.794 4.089 1.00 0.00 ? 6 A A C5 1
1038
+ ATOM 181 C C6 . A A 1 6 ? 2.221 7.104 3.723 1.00 0.00 ? 6 A A C6 1
1039
+ ATOM 182 N N6 . A A 1 6 ? 1.015 7.453 3.274 1.00 0.00 ? 6 A A N6 1
1040
+ ATOM 183 N N1 . A A 1 6 ? 3.180 8.039 3.838 1.00 0.00 ? 6 A A N1 1
1041
+ ATOM 184 C C2 . A A 1 6 ? 4.393 7.711 4.287 1.00 0.00 ? 6 A A C2 1
1042
+ ATOM 185 N N3 . A A 1 6 ? 4.814 6.506 4.661 1.00 0.00 ? 6 A A N3 1
1043
+ ATOM 186 C C4 . A A 1 6 ? 3.836 5.586 4.537 1.00 0.00 ? 6 A A C4 1
1044
+ ATOM 187 H "H5'" . A A 1 6 ? 4.213 1.186 3.229 1.00 0.00 ? 6 A A "H5'" 1
1045
+ ATOM 188 H "H5''" . A A 1 6 ? 5.166 -0.291 3.458 1.00 0.00 ? 6 A A "H5''" 1
1046
+ ATOM 189 H "H4'" . A A 1 6 ? 6.733 0.940 4.487 1.00 0.00 ? 6 A A "H4'" 1
1047
+ ATOM 190 H "H3'" . A A 1 6 ? 4.984 0.451 6.510 1.00 0.00 ? 6 A A "H3'" 1
1048
+ ATOM 191 H "H2'" . A A 1 6 ? 3.621 2.296 6.339 1.00 0.00 ? 6 A A "H2'" 1
1049
+ ATOM 192 H "HO2'" . A A 1 6 ? 5.715 3.622 7.717 1.00 0.00 ? 6 A A "HO2'" 1
1050
+ ATOM 193 H "H1'" . A A 1 6 ? 5.824 4.244 5.768 1.00 0.00 ? 6 A A "H1'" 1
1051
+ ATOM 194 H H8 . A A 1 6 ? 2.456 2.703 4.682 1.00 0.00 ? 6 A A H8 1
1052
+ ATOM 195 H H61 . A A 1 6 ? 0.828 8.413 3.022 1.00 0.00 ? 6 A A H61 1
1053
+ ATOM 196 H H62 . A A 1 6 ? 0.288 6.757 3.185 1.00 0.00 ? 6 A A H62 1
1054
+ ATOM 197 H H2 . A A 1 6 ? 5.120 8.521 4.354 1.00 0.00 ? 6 A A H2 1
1055
+ ATOM 198 P P . G A 1 7 ? 7.229 1.710 8.259 1.00 0.00 ? 7 G A P 1
1056
+ ATOM 199 O OP1 . G A 1 7 ? 8.413 0.934 8.691 1.00 0.00 ? 7 G A OP1 1
1057
+ ATOM 200 O OP2 . G A 1 7 ? 5.982 1.654 9.055 1.00 0.00 ? 7 G A OP2 1
1058
+ ATOM 201 O "O5'" . G A 1 7 ? 7.668 3.254 8.107 1.00 0.00 ? 7 G A "O5'" 1
1059
+ ATOM 202 C "C5'" . G A 1 7 ? 7.928 4.065 9.264 1.00 0.00 ? 7 G A "C5'" 1
1060
+ ATOM 203 C "C4'" . G A 1 7 ? 7.053 5.313 9.300 1.00 0.00 ? 7 G A "C4'" 1
1061
+ ATOM 204 O "O4'" . G A 1 7 ? 5.951 5.194 8.392 1.00 0.00 ? 7 G A "O4'" 1
1062
+ ATOM 205 C "C3'" . G A 1 7 ? 6.422 5.508 10.675 1.00 0.00 ? 7 G A "C3'" 1
1063
+ ATOM 206 O "O3'" . G A 1 7 ? 7.223 6.294 11.570 1.00 0.00 ? 7 G A "O3'" 1
1064
+ ATOM 207 C "C2'" . G A 1 7 ? 5.167 6.288 10.334 1.00 0.00 ? 7 G A "C2'" 1
1065
+ ATOM 208 O "O2'" . G A 1 7 ? 5.431 7.695 10.264 1.00 0.00 ? 7 G A "O2'" 1
1066
+ ATOM 209 C "C1'" . G A 1 7 ? 4.758 5.740 8.975 1.00 0.00 ? 7 G A "C1'" 1
1067
+ ATOM 210 N N9 . G A 1 7 ? 3.695 4.716 9.079 1.00 0.00 ? 7 G A N9 1
1068
+ ATOM 211 C C8 . G A 1 7 ? 3.755 3.425 9.502 1.00 0.00 ? 7 G A C8 1
1069
+ ATOM 212 N N7 . G A 1 7 ? 2.664 2.738 9.474 1.00 0.00 ? 7 G A N7 1
1070
+ ATOM 213 C C5 . G A 1 7 ? 1.751 3.670 8.971 1.00 0.00 ? 7 G A C5 1
1071
+ ATOM 214 C C6 . G A 1 7 ? 0.364 3.532 8.701 1.00 0.00 ? 7 G A C6 1
1072
+ ATOM 215 O O6 . G A 1 7 ? -0.351 2.551 8.880 1.00 0.00 ? 7 G A O6 1
1073
+ ATOM 216 N N1 . G A 1 7 ? -0.178 4.707 8.197 1.00 0.00 ? 7 G A N1 1
1074
+ ATOM 217 C C2 . G A 1 7 ? 0.521 5.877 7.983 1.00 0.00 ? 7 G A C2 1
1075
+ ATOM 218 N N2 . G A 1 7 ? -0.177 6.903 7.498 1.00 0.00 ? 7 G A N2 1
1076
+ ATOM 219 N N3 . G A 1 7 ? 1.824 6.017 8.238 1.00 0.00 ? 7 G A N3 1
1077
+ ATOM 220 C C4 . G A 1 7 ? 2.375 4.882 8.726 1.00 0.00 ? 7 G A C4 1
1078
+ ATOM 221 H "H5'" . G A 1 7 ? 8.955 4.401 9.245 1.00 0.00 ? 7 G A "H5'" 1
1079
+ ATOM 222 H "H5''" . G A 1 7 ? 7.756 3.455 10.164 1.00 0.00 ? 7 G A "H5''" 1
1080
+ ATOM 223 H "H4'" . G A 1 7 ? 7.647 6.189 9.037 1.00 0.00 ? 7 G A "H4'" 1
1081
+ ATOM 224 H "H3'" . G A 1 7 ? 6.162 4.544 11.120 1.00 0.00 ? 7 G A "H3'" 1
1082
+ ATOM 225 H "H2'" . G A 1 7 ? 4.391 6.079 11.068 1.00 0.00 ? 7 G A "H2'" 1
1083
+ ATOM 226 H "HO2'" . G A 1 7 ? 6.072 7.831 9.561 1.00 0.00 ? 7 G A "HO2'" 1
1084
+ ATOM 227 H "H1'" . G A 1 7 ? 4.396 6.562 8.365 1.00 0.00 ? 7 G A "H1'" 1
1085
+ ATOM 228 H H8 . G A 1 7 ? 4.695 2.976 9.827 1.00 0.00 ? 7 G A H8 1
1086
+ ATOM 229 H H1 . G A 1 7 ? -1.161 4.679 7.971 1.00 0.00 ? 7 G A H1 1
1087
+ ATOM 230 H H21 . G A 1 7 ? -1.161 6.793 7.294 1.00 0.00 ? 7 G A H21 1
1088
+ ATOM 231 H H22 . G A 1 7 ? 0.279 7.788 7.326 1.00 0.00 ? 7 G A H22 1
1089
+ ATOM 232 P P . C A 1 8 ? 6.587 6.934 12.909 1.00 0.00 ? 8 C A P 1
1090
+ ATOM 233 O OP1 . C A 1 8 ? 7.514 7.974 13.408 1.00 0.00 ? 8 C A OP1 1
1091
+ ATOM 234 O OP2 . C A 1 8 ? 6.177 5.825 13.800 1.00 0.00 ? 8 C A OP2 1
1092
+ ATOM 235 O "O5'" . C A 1 8 ? 5.252 7.667 12.367 1.00 0.00 ? 8 C A "O5'" 1
1093
+ ATOM 236 C "C5'" . C A 1 8 ? 4.313 8.240 13.287 1.00 0.00 ? 8 C A "C5'" 1
1094
+ ATOM 237 C "C4'" . C A 1 8 ? 3.075 8.806 12.579 1.00 0.00 ? 8 C A "C4'" 1
1095
+ ATOM 238 O "O4'" . C A 1 8 ? 2.652 7.974 11.488 1.00 0.00 ? 8 C A "O4'" 1
1096
+ ATOM 239 C "C3'" . C A 1 8 ? 1.876 8.840 13.520 1.00 0.00 ? 8 C A "C3'" 1
1097
+ ATOM 240 O "O3'" . C A 1 8 ? 1.857 10.053 14.288 1.00 0.00 ? 8 C A "O3'" 1
1098
+ ATOM 241 C "C2'" . C A 1 8 ? 0.705 8.767 12.557 1.00 0.00 ? 8 C A "C2'" 1
1099
+ ATOM 242 O "O2'" . C A 1 8 ? 0.352 10.066 12.067 1.00 0.00 ? 8 C A "O2'" 1
1100
+ ATOM 243 C "C1'" . C A 1 8 ? 1.217 7.874 11.434 1.00 0.00 ? 8 C A "C1'" 1
1101
+ ATOM 244 N N1 . C A 1 8 ? 0.782 6.469 11.598 1.00 0.00 ? 8 C A N1 1
1102
+ ATOM 245 C C2 . C A 1 8 ? -0.565 6.181 11.426 1.00 0.00 ? 8 C A C2 1
1103
+ ATOM 246 O O2 . C A 1 8 ? -1.359 7.078 11.148 1.00 0.00 ? 8 C A O2 1
1104
+ ATOM 247 N N3 . C A 1 8 ? -0.972 4.888 11.570 1.00 0.00 ? 8 C A N3 1
1105
+ ATOM 248 C C4 . C A 1 8 ? -0.093 3.921 11.871 1.00 0.00 ? 8 C A C4 1
1106
+ ATOM 249 N N4 . C A 1 8 ? -0.523 2.666 12.011 1.00 0.00 ? 8 C A N4 1
1107
+ ATOM 250 C C5 . C A 1 8 ? 1.295 4.217 12.045 1.00 0.00 ? 8 C A C5 1
1108
+ ATOM 251 C C6 . C A 1 8 ? 1.686 5.495 11.898 1.00 0.00 ? 8 C A C6 1
1109
+ ATOM 252 H "H5'" . C A 1 8 ? 4.804 9.045 13.837 1.00 0.00 ? 8 C A "H5'" 1
1110
+ ATOM 253 H "H5''" . C A 1 8 ? 3.998 7.472 13.993 1.00 0.00 ? 8 C A "H5''" 1
1111
+ ATOM 254 H "H4'" . C A 1 8 ? 3.286 9.810 12.211 1.00 0.00 ? 8 C A "H4'" 1
1112
+ ATOM 255 H "H3'" . C A 1 8 ? 1.882 7.962 14.173 1.00 0.00 ? 8 C A "H3'" 1
1113
+ ATOM 256 H "H2'" . C A 1 8 ? -0.146 8.298 13.043 1.00 0.00 ? 8 C A "H2'" 1
1114
+ ATOM 257 H "HO2'" . C A 1 8 ? -0.455 9.969 11.557 1.00 0.00 ? 8 C A "HO2'" 1
1115
+ ATOM 258 H "H1'" . C A 1 8 ? 0.852 8.254 10.486 1.00 0.00 ? 8 C A "H1'" 1
1116
+ ATOM 259 H H41 . C A 1 8 ? -1.502 2.452 11.889 1.00 0.00 ? 8 C A H41 1
1117
+ ATOM 260 H H42 . C A 1 8 ? 0.131 1.931 12.239 1.00 0.00 ? 8 C A H42 1
1118
+ ATOM 261 H H5 . C A 1 8 ? 2.013 3.436 12.284 1.00 0.00 ? 8 C A H5 1
1119
+ ATOM 262 H H6 . C A 1 8 ? 2.740 5.751 11.992 1.00 0.00 ? 8 C A H6 1
1120
+ ATOM 263 P P . C A 1 9 ? 0.982 10.165 15.638 1.00 0.00 ? 9 C A P 1
1121
+ ATOM 264 O OP1 . C A 1 9 ? 1.518 11.285 16.444 1.00 0.00 ? 9 C A OP1 1
1122
+ ATOM 265 O OP2 . C A 1 9 ? 0.870 8.815 16.235 1.00 0.00 ? 9 C A OP2 1
1123
+ ATOM 266 O "O5'" . C A 1 9 ? -0.470 10.595 15.083 1.00 0.00 ? 9 C A "O5'" 1
1124
+ ATOM 267 C "C5'" . C A 1 9 ? -1.593 10.695 15.966 1.00 0.00 ? 9 C A "C5'" 1
1125
+ ATOM 268 C "C4'" . C A 1 9 ? -2.917 10.548 15.211 1.00 0.00 ? 9 C A "C4'" 1
1126
+ ATOM 269 O "O4'" . C A 1 9 ? -2.765 9.730 14.047 1.00 0.00 ? 9 C A "O4'" 1
1127
+ ATOM 270 C "C3'" . C A 1 9 ? -3.966 9.830 16.054 1.00 0.00 ? 9 C A "C3'" 1
1128
+ ATOM 271 O "O3'" . C A 1 9 ? -4.668 10.761 16.888 1.00 0.00 ? 9 C A "O3'" 1
1129
+ ATOM 272 C "C2'" . C A 1 9 ? -4.865 9.216 14.994 1.00 0.00 ? 9 C A "C2'" 1
1130
+ ATOM 273 O "O2'" . C A 1 9 ? -5.843 10.154 14.530 1.00 0.00 ? 9 C A "O2'" 1
1131
+ ATOM 274 C "C1'" . C A 1 9 ? -3.882 8.844 13.886 1.00 0.00 ? 9 C A "C1'" 1
1132
+ ATOM 275 N N1 . C A 1 9 ? -3.451 7.433 13.989 1.00 0.00 ? 9 C A N1 1
1133
+ ATOM 276 C C2 . C A 1 9 ? -4.406 6.444 13.797 1.00 0.00 ? 9 C A C2 1
1134
+ ATOM 277 O O2 . C A 1 9 ? -5.578 6.749 13.586 1.00 0.00 ? 9 C A O2 1
1135
+ ATOM 278 N N3 . C A 1 9 ? -4.005 5.143 13.849 1.00 0.00 ? 9 C A N3 1
1136
+ ATOM 279 C C4 . C A 1 9 ? -2.722 4.827 14.076 1.00 0.00 ? 9 C A C4 1
1137
+ ATOM 280 N N4 . C A 1 9 ? -2.363 3.544 14.123 1.00 0.00 ? 9 C A N4 1
1138
+ ATOM 281 C C5 . C A 1 9 ? -1.736 5.848 14.271 1.00 0.00 ? 9 C A C5 1
1139
+ ATOM 282 C C6 . C A 1 9 ? -2.145 7.125 14.226 1.00 0.00 ? 9 C A C6 1
1140
+ ATOM 283 H "H5'" . C A 1 9 ? -1.571 11.667 16.461 1.00 0.00 ? 9 C A "H5'" 1
1141
+ ATOM 284 H "H5''" . C A 1 9 ? -1.523 9.911 16.721 1.00 0.00 ? 9 C A "H5''" 1
1142
+ ATOM 285 H "H4'" . C A 1 9 ? -3.285 11.530 14.918 1.00 0.00 ? 9 C A "H4'" 1
1143
+ ATOM 286 H "H3'" . C A 1 9 ? -3.499 9.041 16.651 1.00 0.00 ? 9 C A "H3'" 1
1144
+ ATOM 287 H "H2'" . C A 1 9 ? -5.346 8.317 15.387 1.00 0.00 ? 9 C A "H2'" 1
1145
+ ATOM 288 H "HO2'" . C A 1 9 ? -6.661 9.670 14.394 1.00 0.00 ? 9 C A "HO2'" 1
1146
+ ATOM 289 H "H1'" . C A 1 9 ? -4.342 9.014 12.913 1.00 0.00 ? 9 C A "H1'" 1
1147
+ ATOM 290 H H41 . C A 1 9 ? -3.055 2.821 13.985 1.00 0.00 ? 9 C A H41 1
1148
+ ATOM 291 H H42 . C A 1 9 ? -1.400 3.295 14.295 1.00 0.00 ? 9 C A H42 1
1149
+ ATOM 292 H H5 . C A 1 9 ? -0.682 5.602 14.405 1.00 0.00 ? 9 C A H5 1
1150
+ ATOM 293 H H6 . C A 1 9 ? -1.429 7.923 14.405 1.00 0.00 ? 9 C A H6 1
1151
+ ATOM 294 P P . C A 1 10 ? -5.010 10.398 18.421 1.00 0.00 ? 10 C A P 1
1152
+ ATOM 295 O OP1 . C A 1 10 ? -5.250 11.662 19.153 1.00 0.00 ? 10 C A OP1 1
1153
+ ATOM 296 O OP2 . C A 1 10 ? -3.990 9.444 18.912 1.00 0.00 ? 10 C A OP2 1
1154
+ ATOM 297 O "O5'" . C A 1 10 ? -6.412 9.614 18.293 1.00 0.00 ? 10 C A "O5'" 1
1155
+ ATOM 298 C "C5'" . C A 1 10 ? -7.522 10.206 17.607 1.00 0.00 ? 10 C A "C5'" 1
1156
+ ATOM 299 C "C4'" . C A 1 10 ? -8.693 9.232 17.487 1.00 0.00 ? 10 C A "C4'" 1
1157
+ ATOM 300 O "O4'" . C A 1 10 ? -8.336 8.075 16.721 1.00 0.00 ? 10 C A "O4'" 1
1158
+ ATOM 301 C "C3'" . C A 1 10 ? -9.105 8.690 18.850 1.00 0.00 ? 10 C A "C3'" 1
1159
+ ATOM 302 O "O3'" . C A 1 10 ? -10.046 9.556 19.497 1.00 0.00 ? 10 C A "O3'" 1
1160
+ ATOM 303 C "C2'" . C A 1 10 ? -9.732 7.355 18.488 1.00 0.00 ? 10 C A "C2'" 1
1161
+ ATOM 304 O "O2'" . C A 1 10 ? -11.113 7.507 18.137 1.00 0.00 ? 10 C A "O2'" 1
1162
+ ATOM 305 C "C1'" . C A 1 10 ? -8.905 6.886 17.292 1.00 0.00 ? 10 C A "C1'" 1
1163
+ ATOM 306 N N1 . C A 1 10 ? -7.849 5.929 17.699 1.00 0.00 ? 10 C A N1 1
1164
+ ATOM 307 C C2 . C A 1 10 ? -8.195 4.943 18.614 1.00 0.00 ? 10 C A C2 1
1165
+ ATOM 308 O O2 . C A 1 10 ? -9.339 4.888 19.062 1.00 0.00 ? 10 C A O2 1
1166
+ ATOM 309 N N3 . C A 1 10 ? -7.243 4.045 18.988 1.00 0.00 ? 10 C A N3 1
1167
+ ATOM 310 C C4 . C A 1 10 ? -6.004 4.104 18.487 1.00 0.00 ? 10 C A C4 1
1168
+ ATOM 311 N N4 . C A 1 10 ? -5.113 3.182 18.854 1.00 0.00 ? 10 C A N4 1
1169
+ ATOM 312 C C5 . C A 1 10 ? -5.638 5.118 17.544 1.00 0.00 ? 10 C A C5 1
1170
+ ATOM 313 C C6 . C A 1 10 ? -6.586 6.006 17.180 1.00 0.00 ? 10 C A C6 1
1171
+ ATOM 314 H "H5'" . C A 1 10 ? -7.204 10.503 16.607 1.00 0.00 ? 10 C A "H5'" 1
1172
+ ATOM 315 H "H5''" . C A 1 10 ? -7.848 11.092 18.154 1.00 0.00 ? 10 C A "H5''" 1
1173
+ ATOM 316 H "H4'" . C A 1 10 ? -9.541 9.731 17.016 1.00 0.00 ? 10 C A "H4'" 1
1174
+ ATOM 317 H "H3'" . C A 1 10 ? -8.222 8.534 19.476 1.00 0.00 ? 10 C A "H3'" 1
1175
+ ATOM 318 H "HO3'" . C A 1 10 ? -10.835 9.582 18.949 1.00 0.00 ? 10 C A "HO3'" 1
1176
+ ATOM 319 H "H2'" . C A 1 10 ? -9.621 6.654 19.319 1.00 0.00 ? 10 C A "H2'" 1
1177
+ ATOM 320 H "HO2'" . C A 1 10 ? -11.509 6.632 18.151 1.00 0.00 ? 10 C A "HO2'" 1
1178
+ ATOM 321 H "H1'" . C A 1 10 ? -9.563 6.414 16.560 1.00 0.00 ? 10 C A "H1'" 1
1179
+ ATOM 322 H H41 . C A 1 10 ? -5.371 2.469 19.521 1.00 0.00 ? 10 C A H41 1
1180
+ ATOM 323 H H42 . C A 1 10 ? -4.187 3.185 18.454 1.00 0.00 ? 10 C A H42 1
1181
+ ATOM 324 H H5 . C A 1 10 ? -4.629 5.170 17.136 1.00 0.00 ? 10 C A H5 1
1182
+ ATOM 325 H H6 . C A 1 10 ? -6.340 6.795 16.464 1.00 0.00 ? 10 C A H6 1
1183
+ #
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structures/7v2m.cif ADDED
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structures/8ea4.cif ADDED
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structures/8gxb.cif ADDED
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structures/8ity.cif ADDED
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structures/8pzp.cif ADDED
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structures/8rao.cif ADDED
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structures/8ud3.cif ADDED
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