Hugging Face's logo

Datasets:
StarLiu714
/
RNAcentral-Struct

Tasks:
Text Generation
Fill-Mask
Other
Size:
1K<n<10K
Tags:
RNA
RNAcentral
PDB
mmCIF
structural-biology
inverse-folding
License:
Dataset card Data Studio Files
xet
 Community
StarLiu714 commited on
Commit
01f58aa
·
verified ·
1 Parent(s): aca6a3a

Add files using upload-large-folder tool

Browse files
Files changed (20) hide show
  1. structures/1i9x.cif +1694 -0
  2. structures/1il2.cif +0 -0
  3. structures/2bcz.cif +0 -0
  4. structures/2e2h.cif +0 -0
  5. structures/3f30.cif +0 -0
  6. structures/3v7e.cif +0 -0
  7. structures/5eeu.cif +0 -0
  8. structures/5u4j.cif +0 -0
  9. structures/5wzi.cif +0 -0
  10. structures/6kwr.cif +0 -0
  11. structures/7ofw.cif +0 -0
  12. structures/7qxb.cif +0 -0
  13. structures/7t3k.cif +0 -0
  14. structures/7xsl.cif +0 -0
  15. structures/8g5o.cif +0 -0
  16. structures/8p4f.cif +0 -0
  17. structures/8r8p.cif +0 -0
  18. structures/8wf9.cif +0 -0
  19. structures/8wfx.cif +0 -0
  20. structures/9jm0.cif +0 -0
structures/1i9x.cif ADDED
@@ -0,0 +1,1694 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ data_1I9X
2
+ #
3
+ _entry.id 1I9X
4
+ #
5
+ _audit_conform.dict_name mmcif_pdbx.dic
6
+ _audit_conform.dict_version 5.386
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 1I9X pdb_00001i9x 10.2210/pdb1i9x/pdb
15
+ NDB AR0032 ? ?
16
+ RCSB RCSB013088 ? ?
17
+ WWPDB D_1000013088 ? ?
18
+ #
19
+ loop_
20
+ _pdbx_audit_revision_history.ordinal
21
+ _pdbx_audit_revision_history.data_content_type
22
+ _pdbx_audit_revision_history.major_revision
23
+ _pdbx_audit_revision_history.minor_revision
24
+ _pdbx_audit_revision_history.revision_date
25
+ 1 'Structure model' 1 0 2001-09-05
26
+ 2 'Structure model' 1 1 2008-04-27
27
+ 3 'Structure model' 1 2 2011-07-13
28
+ 4 'Structure model' 1 3 2018-04-04
29
+ 5 'Structure model' 1 4 2024-02-07
30
+ #
31
+ _pdbx_audit_revision_details.ordinal 1
32
+ _pdbx_audit_revision_details.revision_ordinal 1
33
+ _pdbx_audit_revision_details.data_content_type 'Structure model'
34
+ _pdbx_audit_revision_details.provider repository
35
+ _pdbx_audit_revision_details.type 'Initial release'
36
+ _pdbx_audit_revision_details.description ?
37
+ _pdbx_audit_revision_details.details ?
38
+ #
39
+ loop_
40
+ _pdbx_audit_revision_group.ordinal
41
+ _pdbx_audit_revision_group.revision_ordinal
42
+ _pdbx_audit_revision_group.data_content_type
43
+ _pdbx_audit_revision_group.group
44
+ 1 2 'Structure model' 'Version format compliance'
45
+ 2 3 'Structure model' 'Version format compliance'
46
+ 3 4 'Structure model' 'Data collection'
47
+ 4 5 'Structure model' 'Data collection'
48
+ 5 5 'Structure model' 'Database references'
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' diffrn_source
56
+ 2 5 'Structure model' chem_comp_atom
57
+ 3 5 'Structure model' chem_comp_bond
58
+ 4 5 'Structure model' database_2
59
+ #
60
+ loop_
61
+ _pdbx_audit_revision_item.ordinal
62
+ _pdbx_audit_revision_item.revision_ordinal
63
+ _pdbx_audit_revision_item.data_content_type
64
+ _pdbx_audit_revision_item.item
65
+ 1 4 'Structure model' '_diffrn_source.type'
66
+ 2 5 'Structure model' '_database_2.pdbx_DOI'
67
+ 3 5 'Structure model' '_database_2.pdbx_database_accession'
68
+ #
69
+ _pdbx_database_status.status_code REL
70
+ _pdbx_database_status.entry_id 1I9X
71
+ _pdbx_database_status.recvd_initial_deposition_date 2001-03-21
72
+ _pdbx_database_status.deposit_site RCSB
73
+ _pdbx_database_status.process_site RCSB
74
+ _pdbx_database_status.status_code_sf REL
75
+ _pdbx_database_status.SG_entry .
76
+ _pdbx_database_status.pdb_format_compatible Y
77
+ _pdbx_database_status.status_code_mr ?
78
+ _pdbx_database_status.status_code_cs ?
79
+ _pdbx_database_status.methods_development_category ?
80
+ _pdbx_database_status.status_code_nmr_data ?
81
+ #
82
+ loop_
83
+ _audit_author.name
84
+ _audit_author.pdbx_ordinal
85
+ 'Berglund, J.A.' 1
86
+ 'Rosbash, M.' 2
87
+ 'Schultz, S.C.' 3
88
+ #
89
+ _citation.id primary
90
+ _citation.title 'Crystal structure of a model branchpoint-U2 snRNA duplex containing bulged adenosines.'
91
+ _citation.journal_abbrev RNA
92
+ _citation.journal_volume 7
93
+ _citation.page_first 682
94
+ _citation.page_last 691
95
+ _citation.year 2001
96
+ _citation.journal_id_ASTM RNARFU
97
+ _citation.country UK
98
+ _citation.journal_id_ISSN 1355-8382
99
+ _citation.journal_id_CSD 2122
100
+ _citation.book_publisher ?
101
+ _citation.pdbx_database_id_PubMed 11350032
102
+ _citation.pdbx_database_id_DOI 10.1017/S1355838201002187
103
+ #
104
+ loop_
105
+ _citation_author.citation_id
106
+ _citation_author.name
107
+ _citation_author.ordinal
108
+ _citation_author.identifier_ORCID
109
+ primary 'Berglund, J.A.' 1 ?
110
+ primary 'Rosbash, M.' 2 ?
111
+ primary 'Schultz, S.C.' 3 ?
112
+ #
113
+ loop_
114
+ _entity.id
115
+ _entity.type
116
+ _entity.src_method
117
+ _entity.pdbx_description
118
+ _entity.formula_weight
119
+ _entity.pdbx_number_of_molecules
120
+ _entity.pdbx_ec
121
+ _entity.pdbx_mutation
122
+ _entity.pdbx_fragment
123
+ _entity.details
124
+ 1 polymer syn "5'-R(*UP*AP*CP*UP*AP*AP*CP*GP*UP*AP*GP*UP*A)-3'" 4126.509 2 ? ? ? 'BPS - U2 SNRNA DUPLEX'
125
+ 2 water nat water 18.015 22 ? ? ? ?
126
+ #
127
+ _entity_poly.entity_id 1
128
+ _entity_poly.type polyribonucleotide
129
+ _entity_poly.nstd_linkage no
130
+ _entity_poly.nstd_monomer no
131
+ _entity_poly.pdbx_seq_one_letter_code UACUAACGUAGUA
132
+ _entity_poly.pdbx_seq_one_letter_code_can UACUAACGUAGUA
133
+ _entity_poly.pdbx_strand_id A,B
134
+ _entity_poly.pdbx_target_identifier ?
135
+ #
136
+ _pdbx_entity_nonpoly.entity_id 2
137
+ _pdbx_entity_nonpoly.name water
138
+ _pdbx_entity_nonpoly.comp_id HOH
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 U n
146
+ 1 2 A n
147
+ 1 3 C n
148
+ 1 4 U n
149
+ 1 5 A n
150
+ 1 6 A n
151
+ 1 7 C n
152
+ 1 8 G n
153
+ 1 9 U n
154
+ 1 10 A n
155
+ 1 11 G n
156
+ 1 12 U n
157
+ 1 13 A n
158
+ #
159
+ _pdbx_entity_src_syn.entity_id 1
160
+ _pdbx_entity_src_syn.pdbx_src_id 1
161
+ _pdbx_entity_src_syn.pdbx_alt_source_flag sample
162
+ _pdbx_entity_src_syn.pdbx_beg_seq_num ?
163
+ _pdbx_entity_src_syn.pdbx_end_seq_num ?
164
+ _pdbx_entity_src_syn.organism_scientific ?
165
+ _pdbx_entity_src_syn.organism_common_name ?
166
+ _pdbx_entity_src_syn.ncbi_taxonomy_id ?
167
+ _pdbx_entity_src_syn.details
168
+ 'The UACUAAC is the conserved branchpoint sequence in budding yeast and the GUAGUA is conserved in the U2 snRNP particle.'
169
+ #
170
+ loop_
171
+ _chem_comp.id
172
+ _chem_comp.type
173
+ _chem_comp.mon_nstd_flag
174
+ _chem_comp.name
175
+ _chem_comp.pdbx_synonyms
176
+ _chem_comp.formula
177
+ _chem_comp.formula_weight
178
+ A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
179
+ C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
180
+ G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
181
+ HOH non-polymer . WATER ? 'H2 O' 18.015
182
+ U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
183
+ #
184
+ loop_
185
+ _pdbx_poly_seq_scheme.asym_id
186
+ _pdbx_poly_seq_scheme.entity_id
187
+ _pdbx_poly_seq_scheme.seq_id
188
+ _pdbx_poly_seq_scheme.mon_id
189
+ _pdbx_poly_seq_scheme.ndb_seq_num
190
+ _pdbx_poly_seq_scheme.pdb_seq_num
191
+ _pdbx_poly_seq_scheme.auth_seq_num
192
+ _pdbx_poly_seq_scheme.pdb_mon_id
193
+ _pdbx_poly_seq_scheme.auth_mon_id
194
+ _pdbx_poly_seq_scheme.pdb_strand_id
195
+ _pdbx_poly_seq_scheme.pdb_ins_code
196
+ _pdbx_poly_seq_scheme.hetero
197
+ A 1 1 U 1 1 1 U U A . n
198
+ A 1 2 A 2 2 2 A A A . n
199
+ A 1 3 C 3 3 3 C C A . n
200
+ A 1 4 U 4 4 4 U U A . n
201
+ A 1 5 A 5 5 5 A A A . n
202
+ A 1 6 A 6 6 6 A A A . n
203
+ A 1 7 C 7 7 7 C C A . n
204
+ A 1 8 G 8 8 8 G G A . n
205
+ A 1 9 U 9 9 9 U U A . n
206
+ A 1 10 A 10 10 10 A A A . n
207
+ A 1 11 G 11 11 11 G G A . n
208
+ A 1 12 U 12 12 12 U U A . n
209
+ A 1 13 A 13 13 13 A A A . n
210
+ B 1 1 U 1 1 1 U U B . n
211
+ B 1 2 A 2 2 2 A A B . n
212
+ B 1 3 C 3 3 3 C C B . n
213
+ B 1 4 U 4 4 4 U U B . n
214
+ B 1 5 A 5 5 5 A A B . n
215
+ B 1 6 A 6 6 6 A A B . n
216
+ B 1 7 C 7 7 7 C C B . n
217
+ B 1 8 G 8 8 8 G G B . n
218
+ B 1 9 U 9 9 9 U U B . n
219
+ B 1 10 A 10 10 10 A A B . n
220
+ B 1 11 G 11 11 11 G G B . n
221
+ B 1 12 U 12 12 12 U U B . n
222
+ B 1 13 A 13 13 13 A A B . n
223
+ #
224
+ loop_
225
+ _pdbx_nonpoly_scheme.asym_id
226
+ _pdbx_nonpoly_scheme.entity_id
227
+ _pdbx_nonpoly_scheme.mon_id
228
+ _pdbx_nonpoly_scheme.ndb_seq_num
229
+ _pdbx_nonpoly_scheme.pdb_seq_num
230
+ _pdbx_nonpoly_scheme.auth_seq_num
231
+ _pdbx_nonpoly_scheme.pdb_mon_id
232
+ _pdbx_nonpoly_scheme.auth_mon_id
233
+ _pdbx_nonpoly_scheme.pdb_strand_id
234
+ _pdbx_nonpoly_scheme.pdb_ins_code
235
+ C 2 HOH 1 25 25 HOH HOH A .
236
+ C 2 HOH 2 26 26 HOH HOH A .
237
+ C 2 HOH 3 27 27 HOH HOH A .
238
+ C 2 HOH 4 28 28 HOH HOH A .
239
+ C 2 HOH 5 29 29 HOH HOH A .
240
+ C 2 HOH 6 34 34 HOH HOH A .
241
+ C 2 HOH 7 35 35 HOH HOH A .
242
+ C 2 HOH 8 36 36 HOH HOH A .
243
+ C 2 HOH 9 40 40 HOH HOH A .
244
+ C 2 HOH 10 41 41 HOH HOH A .
245
+ D 2 HOH 1 21 21 HOH HOH B .
246
+ D 2 HOH 2 22 22 HOH HOH B .
247
+ D 2 HOH 3 23 23 HOH HOH B .
248
+ D 2 HOH 4 24 24 HOH HOH B .
249
+ D 2 HOH 5 30 30 HOH HOH B .
250
+ D 2 HOH 6 31 31 HOH HOH B .
251
+ D 2 HOH 7 32 32 HOH HOH B .
252
+ D 2 HOH 8 33 33 HOH HOH B .
253
+ D 2 HOH 9 37 37 HOH HOH B .
254
+ D 2 HOH 10 38 38 HOH HOH B .
255
+ D 2 HOH 11 39 39 HOH HOH B .
256
+ D 2 HOH 12 42 42 HOH HOH B .
257
+ #
258
+ loop_
259
+ _software.name
260
+ _software.classification
261
+ _software.version
262
+ _software.citation_id
263
+ _software.pdbx_ordinal
264
+ MLPHARE phasing . ? 1
265
+ CNS refinement . ? 2
266
+ DENZO 'data reduction' . ? 3
267
+ SCALEPACK 'data scaling' . ? 4
268
+ #
269
+ _cell.entry_id 1I9X
270
+ _cell.length_a 28.75
271
+ _cell.length_b 42.40
272
+ _cell.length_c 33.14
273
+ _cell.angle_alpha 90.00
274
+ _cell.angle_beta 92.87
275
+ _cell.angle_gamma 90.00
276
+ _cell.Z_PDB 4
277
+ _cell.pdbx_unique_axis ?
278
+ #
279
+ _symmetry.entry_id 1I9X
280
+ _symmetry.space_group_name_H-M 'P 1 21 1'
281
+ _symmetry.pdbx_full_space_group_name_H-M ?
282
+ _symmetry.cell_setting ?
283
+ _symmetry.Int_Tables_number 4
284
+ #
285
+ _exptl.entry_id 1I9X
286
+ _exptl.method 'X-RAY DIFFRACTION'
287
+ _exptl.crystals_number 1
288
+ #
289
+ _exptl_crystal.id 1
290
+ _exptl_crystal.density_meas ?
291
+ _exptl_crystal.density_Matthews 2.44
292
+ _exptl_crystal.density_percent_sol 49.68
293
+ _exptl_crystal.description ?
294
+ #
295
+ _exptl_crystal_grow.crystal_id 1
296
+ _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP'
297
+ _exptl_crystal_grow.temp ?
298
+ _exptl_crystal_grow.temp_details '303.0 then shifted to 287.0'
299
+ _exptl_crystal_grow.pH 7.5
300
+ _exptl_crystal_grow.pdbx_details 'MPD, Spermine, Glycerol, tris, pH 7.5, VAPOR DIFFUSION, HANGING DROP'
301
+ _exptl_crystal_grow.pdbx_pH_range ?
302
+ #
303
+ loop_
304
+ _exptl_crystal_grow_comp.crystal_id
305
+ _exptl_crystal_grow_comp.id
306
+ _exptl_crystal_grow_comp.sol_id
307
+ _exptl_crystal_grow_comp.name
308
+ _exptl_crystal_grow_comp.volume
309
+ _exptl_crystal_grow_comp.conc
310
+ _exptl_crystal_grow_comp.details
311
+ 1 1 1 MPD ? ? ?
312
+ 1 2 1 Spermine ? ? ?
313
+ 1 3 1 Glycerol ? ? ?
314
+ 1 4 1 tris ? ? ?
315
+ 1 5 2 MPD ? ? ?
316
+ #
317
+ _diffrn.id 1
318
+ _diffrn.ambient_temp 298.0
319
+ _diffrn.ambient_temp_details ?
320
+ _diffrn.crystal_id 1
321
+ #
322
+ _diffrn_detector.diffrn_id 1
323
+ _diffrn_detector.detector 'IMAGE PLATE'
324
+ _diffrn_detector.type 'RIGAKU RAXIS IIC'
325
+ _diffrn_detector.pdbx_collection_date 1999-02-10
326
+ _diffrn_detector.details 'Yale mirrors'
327
+ #
328
+ _diffrn_radiation.diffrn_id 1
329
+ _diffrn_radiation.wavelength_id 1
330
+ _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M
331
+ _diffrn_radiation.monochromator 'Yale Mirrors'
332
+ _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH'
333
+ _diffrn_radiation.pdbx_scattering_type x-ray
334
+ #
335
+ _diffrn_radiation_wavelength.id 1
336
+ _diffrn_radiation_wavelength.wavelength 1.5418
337
+ _diffrn_radiation_wavelength.wt 1.0
338
+ #
339
+ _diffrn_source.diffrn_id 1
340
+ _diffrn_source.source 'ROTATING ANODE'
341
+ _diffrn_source.type 'RIGAKU RU200'
342
+ _diffrn_source.pdbx_synchrotron_site ?
343
+ _diffrn_source.pdbx_synchrotron_beamline ?
344
+ _diffrn_source.pdbx_wavelength ?
345
+ _diffrn_source.pdbx_wavelength_list 1.5418
346
+ #
347
+ _reflns.entry_id 1I9X
348
+ _reflns.observed_criterion_sigma_I 0.0
349
+ _reflns.observed_criterion_sigma_F 0.0
350
+ _reflns.d_resolution_low 30.0
351
+ _reflns.d_resolution_high 2.0
352
+ _reflns.number_obs 4125
353
+ _reflns.number_all 4369
354
+ _reflns.percent_possible_obs 96.0
355
+ _reflns.pdbx_Rmerge_I_obs 0.0480000
356
+ _reflns.pdbx_Rsym_value 4.7000000
357
+ _reflns.pdbx_netI_over_sigmaI 30.1
358
+ _reflns.B_iso_Wilson_estimate 41.4
359
+ _reflns.pdbx_redundancy 4.9
360
+ _reflns.R_free_details ?
361
+ _reflns.pdbx_diffrn_id 1
362
+ _reflns.pdbx_ordinal 1
363
+ #
364
+ _reflns_shell.d_res_high 2.18
365
+ _reflns_shell.d_res_low 2.26
366
+ _reflns_shell.percent_possible_all 94.0
367
+ _reflns_shell.Rmerge_I_obs 0.3840000
368
+ _reflns_shell.pdbx_Rsym_value 27.7000000
369
+ _reflns_shell.meanI_over_sigI_obs 2.6
370
+ _reflns_shell.pdbx_redundancy 4.1
371
+ _reflns_shell.percent_possible_obs ?
372
+ _reflns_shell.number_unique_all 440
373
+ _reflns_shell.pdbx_diffrn_id ?
374
+ _reflns_shell.pdbx_ordinal 1
375
+ #
376
+ _refine.entry_id 1I9X
377
+ _refine.ls_number_reflns_obs 3980
378
+ _refine.ls_number_reflns_all 4145
379
+ _refine.pdbx_ls_sigma_I 0.0
380
+ _refine.pdbx_ls_sigma_F 0.0
381
+ _refine.pdbx_data_cutoff_high_absF ?
382
+ _refine.pdbx_data_cutoff_low_absF ?
383
+ _refine.ls_d_res_low 8.0
384
+ _refine.ls_d_res_high 2.18
385
+ _refine.ls_percent_reflns_obs 96.0
386
+ _refine.ls_R_factor_obs ?
387
+ _refine.ls_R_factor_all ?
388
+ _refine.ls_R_factor_R_work 0.2530000
389
+ _refine.ls_R_factor_R_free 0.2760000
390
+ _refine.ls_R_factor_R_free_error ?
391
+ _refine.ls_R_factor_R_free_error_details ?
392
+ _refine.ls_percent_reflns_R_free ?
393
+ _refine.ls_number_reflns_R_free 410
394
+ _refine.ls_number_parameters ?
395
+ _refine.ls_number_restraints ?
396
+ _refine.occupancy_min ?
397
+ _refine.occupancy_max ?
398
+ _refine.B_iso_mean 58
399
+ _refine.aniso_B[1][1] 22.18
400
+ _refine.aniso_B[2][2] -15.43
401
+ _refine.aniso_B[3][3] -6.75
402
+ _refine.aniso_B[1][2] 0.00
403
+ _refine.aniso_B[1][3] 12.48
404
+ _refine.aniso_B[2][3] 0.00
405
+ _refine.solvent_model_details ?
406
+ _refine.solvent_model_param_ksol ?
407
+ _refine.solvent_model_param_bsol ?
408
+ _refine.pdbx_ls_cross_valid_method THROUGHOUT
409
+ _refine.details 'Bulk solvent was not used in the refinement.'
410
+ _refine.pdbx_starting_model ?
411
+ _refine.pdbx_method_to_determine_struct MIR
412
+ _refine.pdbx_isotropic_thermal_model Anistropic
413
+ _refine.pdbx_stereochemistry_target_values
414
+ ;G. Parkinson, J. Vojtechovsky, L. Clowney, A.T. Brunger, H.M. Berman,
415
+ New Parameters for the Refinement of Nucleic Acid Containing Structures,
416
+ Acta Cryst. D, 52, 57-64 (1996).
417
+ ;
418
+ _refine.pdbx_stereochem_target_val_spec_case ?
419
+ _refine.pdbx_R_Free_selection_details Random
420
+ _refine.pdbx_overall_ESU_R_Free ?
421
+ _refine.overall_SU_B ?
422
+ _refine.ls_redundancy_reflns_obs ?
423
+ _refine.correlation_coeff_Fo_to_Fc ?
424
+ _refine.correlation_coeff_Fo_to_Fc_free ?
425
+ _refine.overall_SU_R_Cruickshank_DPI ?
426
+ _refine.overall_SU_R_free ?
427
+ _refine.overall_SU_ML ?
428
+ _refine.pdbx_overall_ESU_R ?
429
+ _refine.pdbx_data_cutoff_high_rms_absF ?
430
+ _refine.pdbx_refine_id 'X-RAY DIFFRACTION'
431
+ _refine.pdbx_diffrn_id 1
432
+ _refine.pdbx_TLS_residual_ADP_flag ?
433
+ _refine.pdbx_solvent_vdw_probe_radii ?
434
+ _refine.pdbx_solvent_ion_probe_radii ?
435
+ _refine.pdbx_solvent_shrinkage_radii ?
436
+ _refine.pdbx_overall_phase_error ?
437
+ _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ?
438
+ _refine.pdbx_overall_SU_R_Blow_DPI ?
439
+ _refine.pdbx_overall_SU_R_free_Blow_DPI ?
440
+ #
441
+ _refine_analyze.entry_id 1I9X
442
+ _refine_analyze.Luzzati_coordinate_error_obs 0.36
443
+ _refine_analyze.Luzzati_sigma_a_obs 0.54
444
+ _refine_analyze.Luzzati_d_res_low_obs 5.0
445
+ _refine_analyze.Luzzati_coordinate_error_free 0.47
446
+ _refine_analyze.Luzzati_sigma_a_free 0.56
447
+ _refine_analyze.Luzzati_d_res_low_free ?
448
+ _refine_analyze.number_disordered_residues ?
449
+ _refine_analyze.occupancy_sum_hydrogen ?
450
+ _refine_analyze.occupancy_sum_non_hydrogen ?
451
+ _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION'
452
+ #
453
+ _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION'
454
+ _refine_hist.cycle_id LAST
455
+ _refine_hist.pdbx_number_atoms_protein 0
456
+ _refine_hist.pdbx_number_atoms_nucleic_acid 546
457
+ _refine_hist.pdbx_number_atoms_ligand 0
458
+ _refine_hist.number_atoms_solvent 22
459
+ _refine_hist.number_atoms_total 568
460
+ _refine_hist.d_res_high 2.18
461
+ _refine_hist.d_res_low 8.0
462
+ #
463
+ loop_
464
+ _refine_ls_restr.type
465
+ _refine_ls_restr.dev_ideal
466
+ _refine_ls_restr.dev_ideal_target
467
+ _refine_ls_restr.weight
468
+ _refine_ls_restr.number
469
+ _refine_ls_restr.pdbx_refine_id
470
+ _refine_ls_restr.pdbx_restraint_function
471
+ c_bond_d 0.005 ? ? ? 'X-RAY DIFFRACTION' ?
472
+ c_angle_deg 1.2 ? ? ? 'X-RAY DIFFRACTION' ?
473
+ c_dihedral_angle_d 12.7 ? ? ? 'X-RAY DIFFRACTION' ?
474
+ c_improper_angle_d 1.49 ? ? ? 'X-RAY DIFFRACTION' ?
475
+ #
476
+ _refine_ls_shell.pdbx_total_number_of_bins_used ?
477
+ _refine_ls_shell.d_res_high 2.18
478
+ _refine_ls_shell.d_res_low 2.31
479
+ _refine_ls_shell.number_reflns_R_work ?
480
+ _refine_ls_shell.R_factor_R_work 0.4270000
481
+ _refine_ls_shell.percent_reflns_obs 93.2
482
+ _refine_ls_shell.R_factor_R_free 0.4570000
483
+ _refine_ls_shell.R_factor_R_free_error 0.055
484
+ _refine_ls_shell.percent_reflns_R_free ?
485
+ _refine_ls_shell.number_reflns_R_free 69
486
+ _refine_ls_shell.redundancy_reflns_obs ?
487
+ _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION'
488
+ _refine_ls_shell.number_reflns_all ?
489
+ _refine_ls_shell.R_factor_all ?
490
+ #
491
+ _database_PDB_matrix.entry_id 1I9X
492
+ _database_PDB_matrix.origx[1][1] 1.000000
493
+ _database_PDB_matrix.origx[1][2] 0.000000
494
+ _database_PDB_matrix.origx[1][3] 0.000000
495
+ _database_PDB_matrix.origx[2][1] 0.000000
496
+ _database_PDB_matrix.origx[2][2] 1.000000
497
+ _database_PDB_matrix.origx[2][3] 0.000000
498
+ _database_PDB_matrix.origx[3][1] 0.000000
499
+ _database_PDB_matrix.origx[3][2] 0.000000
500
+ _database_PDB_matrix.origx[3][3] 1.000000
501
+ _database_PDB_matrix.origx_vector[1] 0.00000
502
+ _database_PDB_matrix.origx_vector[2] 0.00000
503
+ _database_PDB_matrix.origx_vector[3] 0.00000
504
+ #
505
+ _struct.entry_id 1I9X
506
+ _struct.title 'CRYSTAL STRUCTURE OF BPS-U2 SNRNA DUPLEX'
507
+ _struct.pdbx_model_details ?
508
+ _struct.pdbx_CASP_flag ?
509
+ _struct.pdbx_model_type_details ?
510
+ #
511
+ _struct_keywords.entry_id 1I9X
512
+ _struct_keywords.pdbx_keywords RNA
513
+ _struct_keywords.text 'pre-mRNA splicing, bulged adenosine, three helix junction, RNA'
514
+ #
515
+ loop_
516
+ _struct_asym.id
517
+ _struct_asym.pdbx_blank_PDB_chainid_flag
518
+ _struct_asym.pdbx_modified
519
+ _struct_asym.entity_id
520
+ _struct_asym.details
521
+ A N N 1 ?
522
+ B N N 1 ?
523
+ C N N 2 ?
524
+ D N N 2 ?
525
+ #
526
+ _struct_ref.id 1
527
+ _struct_ref.entity_id 1
528
+ _struct_ref.db_name PDB
529
+ _struct_ref.db_code 1I9X
530
+ _struct_ref.pdbx_db_accession 1I9X
531
+ _struct_ref.pdbx_db_isoform ?
532
+ _struct_ref.pdbx_seq_one_letter_code ?
533
+ _struct_ref.pdbx_align_begin ?
534
+ #
535
+ loop_
536
+ _struct_ref_seq.align_id
537
+ _struct_ref_seq.ref_id
538
+ _struct_ref_seq.pdbx_PDB_id_code
539
+ _struct_ref_seq.pdbx_strand_id
540
+ _struct_ref_seq.seq_align_beg
541
+ _struct_ref_seq.pdbx_seq_align_beg_ins_code
542
+ _struct_ref_seq.seq_align_end
543
+ _struct_ref_seq.pdbx_seq_align_end_ins_code
544
+ _struct_ref_seq.pdbx_db_accession
545
+ _struct_ref_seq.db_align_beg
546
+ _struct_ref_seq.pdbx_db_align_beg_ins_code
547
+ _struct_ref_seq.db_align_end
548
+ _struct_ref_seq.pdbx_db_align_end_ins_code
549
+ _struct_ref_seq.pdbx_auth_seq_align_beg
550
+ _struct_ref_seq.pdbx_auth_seq_align_end
551
+ 1 1 1I9X A 1 ? 13 ? 1I9X 1 ? 13 ? 1 13
552
+ 2 1 1I9X B 1 ? 13 ? 1I9X 1 ? 13 ? 1 13
553
+ #
554
+ _pdbx_struct_assembly.id 1
555
+ _pdbx_struct_assembly.details author_defined_assembly
556
+ _pdbx_struct_assembly.method_details ?
557
+ _pdbx_struct_assembly.oligomeric_details dimeric
558
+ _pdbx_struct_assembly.oligomeric_count 2
559
+ #
560
+ _pdbx_struct_assembly_gen.assembly_id 1
561
+ _pdbx_struct_assembly_gen.oper_expression 1
562
+ _pdbx_struct_assembly_gen.asym_id_list A,B,C,D
563
+ #
564
+ _pdbx_struct_oper_list.id 1
565
+ _pdbx_struct_oper_list.type 'identity operation'
566
+ _pdbx_struct_oper_list.name 1_555
567
+ _pdbx_struct_oper_list.symmetry_operation x,y,z
568
+ _pdbx_struct_oper_list.matrix[1][1] 1.0000000000
569
+ _pdbx_struct_oper_list.matrix[1][2] 0.0000000000
570
+ _pdbx_struct_oper_list.matrix[1][3] 0.0000000000
571
+ _pdbx_struct_oper_list.vector[1] 0.0000000000
572
+ _pdbx_struct_oper_list.matrix[2][1] 0.0000000000
573
+ _pdbx_struct_oper_list.matrix[2][2] 1.0000000000
574
+ _pdbx_struct_oper_list.matrix[2][3] 0.0000000000
575
+ _pdbx_struct_oper_list.vector[2] 0.0000000000
576
+ _pdbx_struct_oper_list.matrix[3][1] 0.0000000000
577
+ _pdbx_struct_oper_list.matrix[3][2] 0.0000000000
578
+ _pdbx_struct_oper_list.matrix[3][3] 1.0000000000
579
+ _pdbx_struct_oper_list.vector[3] 0.0000000000
580
+ #
581
+ _struct_biol.id 1
582
+ _struct_biol.pdbx_parent_biol_id ?
583
+ _struct_biol.details ?
584
+ #
585
+ loop_
586
+ _struct_conn.id
587
+ _struct_conn.conn_type_id
588
+ _struct_conn.pdbx_leaving_atom_flag
589
+ _struct_conn.pdbx_PDB_id
590
+ _struct_conn.ptnr1_label_asym_id
591
+ _struct_conn.ptnr1_label_comp_id
592
+ _struct_conn.ptnr1_label_seq_id
593
+ _struct_conn.ptnr1_label_atom_id
594
+ _struct_conn.pdbx_ptnr1_label_alt_id
595
+ _struct_conn.pdbx_ptnr1_PDB_ins_code
596
+ _struct_conn.pdbx_ptnr1_standard_comp_id
597
+ _struct_conn.ptnr1_symmetry
598
+ _struct_conn.ptnr2_label_asym_id
599
+ _struct_conn.ptnr2_label_comp_id
600
+ _struct_conn.ptnr2_label_seq_id
601
+ _struct_conn.ptnr2_label_atom_id
602
+ _struct_conn.pdbx_ptnr2_label_alt_id
603
+ _struct_conn.pdbx_ptnr2_PDB_ins_code
604
+ _struct_conn.ptnr1_auth_asym_id
605
+ _struct_conn.ptnr1_auth_comp_id
606
+ _struct_conn.ptnr1_auth_seq_id
607
+ _struct_conn.ptnr2_auth_asym_id
608
+ _struct_conn.ptnr2_auth_comp_id
609
+ _struct_conn.ptnr2_auth_seq_id
610
+ _struct_conn.ptnr2_symmetry
611
+ _struct_conn.pdbx_ptnr3_label_atom_id
612
+ _struct_conn.pdbx_ptnr3_label_seq_id
613
+ _struct_conn.pdbx_ptnr3_label_comp_id
614
+ _struct_conn.pdbx_ptnr3_label_asym_id
615
+ _struct_conn.pdbx_ptnr3_label_alt_id
616
+ _struct_conn.pdbx_ptnr3_PDB_ins_code
617
+ _struct_conn.details
618
+ _struct_conn.pdbx_dist_value
619
+ _struct_conn.pdbx_value_order
620
+ _struct_conn.pdbx_role
621
+ hydrog1 hydrog ? ? A U 1 N3 ? ? ? 1_555 B A 13 N1 ? ? A U 1 B A 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
622
+ hydrog2 hydrog ? ? A U 1 O4 ? ? ? 1_555 B A 13 N6 ? ? A U 1 B A 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
623
+ hydrog3 hydrog ? ? A A 2 N1 ? ? ? 1_555 B U 12 N3 ? ? A A 2 B U 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
624
+ hydrog4 hydrog ? ? A A 2 N6 ? ? ? 1_555 B U 12 O4 ? ? A A 2 B U 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
625
+ hydrog5 hydrog ? ? A C 3 N3 ? ? ? 1_555 B G 11 N1 ? ? A C 3 B G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
626
+ hydrog6 hydrog ? ? A C 3 N4 ? ? ? 1_555 B G 11 O6 ? ? A C 3 B G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
627
+ hydrog7 hydrog ? ? A C 3 O2 ? ? ? 1_555 B G 11 N2 ? ? A C 3 B G 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
628
+ hydrog8 hydrog ? ? A U 4 N3 ? ? ? 1_555 B A 10 N1 ? ? A U 4 B A 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
629
+ hydrog9 hydrog ? ? A U 4 O4 ? ? ? 1_555 B A 10 N6 ? ? A U 4 B A 10 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
630
+ hydrog10 hydrog ? ? A A 6 N1 ? ? ? 1_555 B U 9 N3 ? ? A A 6 B U 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
631
+ hydrog11 hydrog ? ? A A 6 N6 ? ? ? 1_555 B U 9 O4 ? ? A A 6 B U 9 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
632
+ hydrog12 hydrog ? ? A C 7 N3 ? ? ? 1_555 B G 8 N1 ? ? A C 7 B G 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
633
+ hydrog13 hydrog ? ? A C 7 N4 ? ? ? 1_555 B G 8 O6 ? ? A C 7 B G 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
634
+ hydrog14 hydrog ? ? A C 7 O2 ? ? ? 1_555 B G 8 N2 ? ? A C 7 B G 8 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
635
+ hydrog15 hydrog ? ? A G 8 N1 ? ? ? 1_555 B C 7 N3 ? ? A G 8 B C 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
636
+ hydrog16 hydrog ? ? A G 8 N2 ? ? ? 1_555 B C 7 O2 ? ? A G 8 B C 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
637
+ hydrog17 hydrog ? ? A G 8 O6 ? ? ? 1_555 B C 7 N4 ? ? A G 8 B C 7 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
638
+ hydrog18 hydrog ? ? A U 9 N3 ? ? ? 1_555 B A 6 N1 ? ? A U 9 B A 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
639
+ hydrog19 hydrog ? ? A U 9 O4 ? ? ? 1_555 B A 6 N6 ? ? A U 9 B A 6 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
640
+ hydrog20 hydrog ? ? A A 10 N1 ? ? ? 1_555 B U 4 N3 ? ? A A 10 B U 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
641
+ hydrog21 hydrog ? ? A A 10 N6 ? ? ? 1_555 B U 4 O4 ? ? A A 10 B U 4 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
642
+ hydrog22 hydrog ? ? A G 11 N1 ? ? ? 1_555 B C 3 N3 ? ? A G 11 B C 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
643
+ hydrog23 hydrog ? ? A G 11 N2 ? ? ? 1_555 B C 3 O2 ? ? A G 11 B C 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
644
+ hydrog24 hydrog ? ? A G 11 O6 ? ? ? 1_555 B C 3 N4 ? ? A G 11 B C 3 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
645
+ hydrog25 hydrog ? ? A U 12 N3 ? ? ? 1_555 B A 2 N1 ? ? A U 12 B A 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
646
+ hydrog26 hydrog ? ? A U 12 O4 ? ? ? 1_555 B A 2 N6 ? ? A U 12 B A 2 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
647
+ hydrog27 hydrog ? ? A A 13 N1 ? ? ? 1_555 B U 1 N3 ? ? A A 13 B U 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
648
+ hydrog28 hydrog ? ? A A 13 N6 ? ? ? 1_555 B U 1 O4 ? ? A A 13 B U 1 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
649
+ #
650
+ _struct_conn_type.id hydrog
651
+ _struct_conn_type.criteria ?
652
+ _struct_conn_type.reference ?
653
+ #
654
+ loop_
655
+ _chem_comp_atom.comp_id
656
+ _chem_comp_atom.atom_id
657
+ _chem_comp_atom.type_symbol
658
+ _chem_comp_atom.pdbx_aromatic_flag
659
+ _chem_comp_atom.pdbx_stereo_config
660
+ _chem_comp_atom.pdbx_ordinal
661
+ A OP3 O N N 1
662
+ A P P N N 2
663
+ A OP1 O N N 3
664
+ A OP2 O N N 4
665
+ A "O5'" O N N 5
666
+ A "C5'" C N N 6
667
+ A "C4'" C N R 7
668
+ A "O4'" O N N 8
669
+ A "C3'" C N S 9
670
+ A "O3'" O N N 10
671
+ A "C2'" C N R 11
672
+ A "O2'" O N N 12
673
+ A "C1'" C N R 13
674
+ A N9 N Y N 14
675
+ A C8 C Y N 15
676
+ A N7 N Y N 16
677
+ A C5 C Y N 17
678
+ A C6 C Y N 18
679
+ A N6 N N N 19
680
+ A N1 N Y N 20
681
+ A C2 C Y N 21
682
+ A N3 N Y N 22
683
+ A C4 C Y N 23
684
+ A HOP3 H N N 24
685
+ A HOP2 H N N 25
686
+ A "H5'" H N N 26
687
+ A "H5''" H N N 27
688
+ A "H4'" H N N 28
689
+ A "H3'" H N N 29
690
+ A "HO3'" H N N 30
691
+ A "H2'" H N N 31
692
+ A "HO2'" H N N 32
693
+ A "H1'" H N N 33
694
+ A H8 H N N 34
695
+ A H61 H N N 35
696
+ A H62 H N N 36
697
+ A H2 H N N 37
698
+ C OP3 O N N 38
699
+ C P P N N 39
700
+ C OP1 O N N 40
701
+ C OP2 O N N 41
702
+ C "O5'" O N N 42
703
+ C "C5'" C N N 43
704
+ C "C4'" C N R 44
705
+ C "O4'" O N N 45
706
+ C "C3'" C N S 46
707
+ C "O3'" O N N 47
708
+ C "C2'" C N R 48
709
+ C "O2'" O N N 49
710
+ C "C1'" C N R 50
711
+ C N1 N N N 51
712
+ C C2 C N N 52
713
+ C O2 O N N 53
714
+ C N3 N N N 54
715
+ C C4 C N N 55
716
+ C N4 N N N 56
717
+ C C5 C N N 57
718
+ C C6 C N N 58
719
+ C HOP3 H N N 59
720
+ C HOP2 H N N 60
721
+ C "H5'" H N N 61
722
+ C "H5''" H N N 62
723
+ C "H4'" H N N 63
724
+ C "H3'" H N N 64
725
+ C "HO3'" H N N 65
726
+ C "H2'" H N N 66
727
+ C "HO2'" H N N 67
728
+ C "H1'" H N N 68
729
+ C H41 H N N 69
730
+ C H42 H N N 70
731
+ C H5 H N N 71
732
+ C H6 H N N 72
733
+ G OP3 O N N 73
734
+ G P P N N 74
735
+ G OP1 O N N 75
736
+ G OP2 O N N 76
737
+ G "O5'" O N N 77
738
+ G "C5'" C N N 78
739
+ G "C4'" C N R 79
740
+ G "O4'" O N N 80
741
+ G "C3'" C N S 81
742
+ G "O3'" O N N 82
743
+ G "C2'" C N R 83
744
+ G "O2'" O N N 84
745
+ G "C1'" C N R 85
746
+ G N9 N Y N 86
747
+ G C8 C Y N 87
748
+ G N7 N Y N 88
749
+ G C5 C Y N 89
750
+ G C6 C N N 90
751
+ G O6 O N N 91
752
+ G N1 N N N 92
753
+ G C2 C N N 93
754
+ G N2 N N N 94
755
+ G N3 N N N 95
756
+ G C4 C Y N 96
757
+ G HOP3 H N N 97
758
+ G HOP2 H N N 98
759
+ G "H5'" H N N 99
760
+ G "H5''" H N N 100
761
+ G "H4'" H N N 101
762
+ G "H3'" H N N 102
763
+ G "HO3'" H N N 103
764
+ G "H2'" H N N 104
765
+ G "HO2'" H N N 105
766
+ G "H1'" H N N 106
767
+ G H8 H N N 107
768
+ G H1 H N N 108
769
+ G H21 H N N 109
770
+ G H22 H N N 110
771
+ HOH O O N N 111
772
+ HOH H1 H N N 112
773
+ HOH H2 H N N 113
774
+ U OP3 O N N 114
775
+ U P P N N 115
776
+ U OP1 O N N 116
777
+ U OP2 O N N 117
778
+ U "O5'" O N N 118
779
+ U "C5'" C N N 119
780
+ U "C4'" C N R 120
781
+ U "O4'" O N N 121
782
+ U "C3'" C N S 122
783
+ U "O3'" O N N 123
784
+ U "C2'" C N R 124
785
+ U "O2'" O N N 125
786
+ U "C1'" C N R 126
787
+ U N1 N N N 127
788
+ U C2 C N N 128
789
+ U O2 O N N 129
790
+ U N3 N N N 130
791
+ U C4 C N N 131
792
+ U O4 O N N 132
793
+ U C5 C N N 133
794
+ U C6 C N N 134
795
+ U HOP3 H N N 135
796
+ U HOP2 H N N 136
797
+ U "H5'" H N N 137
798
+ U "H5''" H N N 138
799
+ U "H4'" H N N 139
800
+ U "H3'" H N N 140
801
+ U "HO3'" H N N 141
802
+ U "H2'" H N N 142
803
+ U "HO2'" H N N 143
804
+ U "H1'" H N N 144
805
+ U H3 H N N 145
806
+ U H5 H N N 146
807
+ U H6 H N N 147
808
+ #
809
+ loop_
810
+ _chem_comp_bond.comp_id
811
+ _chem_comp_bond.atom_id_1
812
+ _chem_comp_bond.atom_id_2
813
+ _chem_comp_bond.value_order
814
+ _chem_comp_bond.pdbx_aromatic_flag
815
+ _chem_comp_bond.pdbx_stereo_config
816
+ _chem_comp_bond.pdbx_ordinal
817
+ A OP3 P sing N N 1
818
+ A OP3 HOP3 sing N N 2
819
+ A P OP1 doub N N 3
820
+ A P OP2 sing N N 4
821
+ A P "O5'" sing N N 5
822
+ A OP2 HOP2 sing N N 6
823
+ A "O5'" "C5'" sing N N 7
824
+ A "C5'" "C4'" sing N N 8
825
+ A "C5'" "H5'" sing N N 9
826
+ A "C5'" "H5''" sing N N 10
827
+ A "C4'" "O4'" sing N N 11
828
+ A "C4'" "C3'" sing N N 12
829
+ A "C4'" "H4'" sing N N 13
830
+ A "O4'" "C1'" sing N N 14
831
+ A "C3'" "O3'" sing N N 15
832
+ A "C3'" "C2'" sing N N 16
833
+ A "C3'" "H3'" sing N N 17
834
+ A "O3'" "HO3'" sing N N 18
835
+ A "C2'" "O2'" sing N N 19
836
+ A "C2'" "C1'" sing N N 20
837
+ A "C2'" "H2'" sing N N 21
838
+ A "O2'" "HO2'" sing N N 22
839
+ A "C1'" N9 sing N N 23
840
+ A "C1'" "H1'" sing N N 24
841
+ A N9 C8 sing Y N 25
842
+ A N9 C4 sing Y N 26
843
+ A C8 N7 doub Y N 27
844
+ A C8 H8 sing N N 28
845
+ A N7 C5 sing Y N 29
846
+ A C5 C6 sing Y N 30
847
+ A C5 C4 doub Y N 31
848
+ A C6 N6 sing N N 32
849
+ A C6 N1 doub Y N 33
850
+ A N6 H61 sing N N 34
851
+ A N6 H62 sing N N 35
852
+ A N1 C2 sing Y N 36
853
+ A C2 N3 doub Y N 37
854
+ A C2 H2 sing N N 38
855
+ A N3 C4 sing Y N 39
856
+ C OP3 P sing N N 40
857
+ C OP3 HOP3 sing N N 41
858
+ C P OP1 doub N N 42
859
+ C P OP2 sing N N 43
860
+ C P "O5'" sing N N 44
861
+ C OP2 HOP2 sing N N 45
862
+ C "O5'" "C5'" sing N N 46
863
+ C "C5'" "C4'" sing N N 47
864
+ C "C5'" "H5'" sing N N 48
865
+ C "C5'" "H5''" sing N N 49
866
+ C "C4'" "O4'" sing N N 50
867
+ C "C4'" "C3'" sing N N 51
868
+ C "C4'" "H4'" sing N N 52
869
+ C "O4'" "C1'" sing N N 53
870
+ C "C3'" "O3'" sing N N 54
871
+ C "C3'" "C2'" sing N N 55
872
+ C "C3'" "H3'" sing N N 56
873
+ C "O3'" "HO3'" sing N N 57
874
+ C "C2'" "O2'" sing N N 58
875
+ C "C2'" "C1'" sing N N 59
876
+ C "C2'" "H2'" sing N N 60
877
+ C "O2'" "HO2'" sing N N 61
878
+ C "C1'" N1 sing N N 62
879
+ C "C1'" "H1'" sing N N 63
880
+ C N1 C2 sing N N 64
881
+ C N1 C6 sing N N 65
882
+ C C2 O2 doub N N 66
883
+ C C2 N3 sing N N 67
884
+ C N3 C4 doub N N 68
885
+ C C4 N4 sing N N 69
886
+ C C4 C5 sing N N 70
887
+ C N4 H41 sing N N 71
888
+ C N4 H42 sing N N 72
889
+ C C5 C6 doub N N 73
890
+ C C5 H5 sing N N 74
891
+ C C6 H6 sing N N 75
892
+ G OP3 P sing N N 76
893
+ G OP3 HOP3 sing N N 77
894
+ G P OP1 doub N N 78
895
+ G P OP2 sing N N 79
896
+ G P "O5'" sing N N 80
897
+ G OP2 HOP2 sing N N 81
898
+ G "O5'" "C5'" sing N N 82
899
+ G "C5'" "C4'" sing N N 83
900
+ G "C5'" "H5'" sing N N 84
901
+ G "C5'" "H5''" sing N N 85
902
+ G "C4'" "O4'" sing N N 86
903
+ G "C4'" "C3'" sing N N 87
904
+ G "C4'" "H4'" sing N N 88
905
+ G "O4'" "C1'" sing N N 89
906
+ G "C3'" "O3'" sing N N 90
907
+ G "C3'" "C2'" sing N N 91
908
+ G "C3'" "H3'" sing N N 92
909
+ G "O3'" "HO3'" sing N N 93
910
+ G "C2'" "O2'" sing N N 94
911
+ G "C2'" "C1'" sing N N 95
912
+ G "C2'" "H2'" sing N N 96
913
+ G "O2'" "HO2'" sing N N 97
914
+ G "C1'" N9 sing N N 98
915
+ G "C1'" "H1'" sing N N 99
916
+ G N9 C8 sing Y N 100
917
+ G N9 C4 sing Y N 101
918
+ G C8 N7 doub Y N 102
919
+ G C8 H8 sing N N 103
920
+ G N7 C5 sing Y N 104
921
+ G C5 C6 sing N N 105
922
+ G C5 C4 doub Y N 106
923
+ G C6 O6 doub N N 107
924
+ G C6 N1 sing N N 108
925
+ G N1 C2 sing N N 109
926
+ G N1 H1 sing N N 110
927
+ G C2 N2 sing N N 111
928
+ G C2 N3 doub N N 112
929
+ G N2 H21 sing N N 113
930
+ G N2 H22 sing N N 114
931
+ G N3 C4 sing N N 115
932
+ HOH O H1 sing N N 116
933
+ HOH O H2 sing N N 117
934
+ U OP3 P sing N N 118
935
+ U OP3 HOP3 sing N N 119
936
+ U P OP1 doub N N 120
937
+ U P OP2 sing N N 121
938
+ U P "O5'" sing N N 122
939
+ U OP2 HOP2 sing N N 123
940
+ U "O5'" "C5'" sing N N 124
941
+ U "C5'" "C4'" sing N N 125
942
+ U "C5'" "H5'" sing N N 126
943
+ U "C5'" "H5''" sing N N 127
944
+ U "C4'" "O4'" sing N N 128
945
+ U "C4'" "C3'" sing N N 129
946
+ U "C4'" "H4'" sing N N 130
947
+ U "O4'" "C1'" sing N N 131
948
+ U "C3'" "O3'" sing N N 132
949
+ U "C3'" "C2'" sing N N 133
950
+ U "C3'" "H3'" sing N N 134
951
+ U "O3'" "HO3'" sing N N 135
952
+ U "C2'" "O2'" sing N N 136
953
+ U "C2'" "C1'" sing N N 137
954
+ U "C2'" "H2'" sing N N 138
955
+ U "O2'" "HO2'" sing N N 139
956
+ U "C1'" N1 sing N N 140
957
+ U "C1'" "H1'" sing N N 141
958
+ U N1 C2 sing N N 142
959
+ U N1 C6 sing N N 143
960
+ U C2 O2 doub N N 144
961
+ U C2 N3 sing N N 145
962
+ U N3 C4 sing N N 146
963
+ U N3 H3 sing N N 147
964
+ U C4 O4 doub N N 148
965
+ U C4 C5 sing N N 149
966
+ U C5 C6 doub N N 150
967
+ U C5 H5 sing N N 151
968
+ U C6 H6 sing N N 152
969
+ #
970
+ loop_
971
+ _ndb_struct_conf_na.entry_id
972
+ _ndb_struct_conf_na.feature
973
+ 1I9X 'double helix'
974
+ 1I9X 'a-form double helix'
975
+ 1I9X 'bulge loop'
976
+ #
977
+ loop_
978
+ _ndb_struct_na_base_pair.model_number
979
+ _ndb_struct_na_base_pair.i_label_asym_id
980
+ _ndb_struct_na_base_pair.i_label_comp_id
981
+ _ndb_struct_na_base_pair.i_label_seq_id
982
+ _ndb_struct_na_base_pair.i_symmetry
983
+ _ndb_struct_na_base_pair.j_label_asym_id
984
+ _ndb_struct_na_base_pair.j_label_comp_id
985
+ _ndb_struct_na_base_pair.j_label_seq_id
986
+ _ndb_struct_na_base_pair.j_symmetry
987
+ _ndb_struct_na_base_pair.shear
988
+ _ndb_struct_na_base_pair.stretch
989
+ _ndb_struct_na_base_pair.stagger
990
+ _ndb_struct_na_base_pair.buckle
991
+ _ndb_struct_na_base_pair.propeller
992
+ _ndb_struct_na_base_pair.opening
993
+ _ndb_struct_na_base_pair.pair_number
994
+ _ndb_struct_na_base_pair.pair_name
995
+ _ndb_struct_na_base_pair.i_auth_asym_id
996
+ _ndb_struct_na_base_pair.i_auth_seq_id
997
+ _ndb_struct_na_base_pair.i_PDB_ins_code
998
+ _ndb_struct_na_base_pair.j_auth_asym_id
999
+ _ndb_struct_na_base_pair.j_auth_seq_id
1000
+ _ndb_struct_na_base_pair.j_PDB_ins_code
1001
+ _ndb_struct_na_base_pair.hbond_type_28
1002
+ _ndb_struct_na_base_pair.hbond_type_12
1003
+ 1 A U 1 1_555 B A 13 1_555 -0.365 -0.092 0.356 4.911 -9.189 7.154 1 A_U1:A13_B A 1 ? B 13 ? 20 1
1004
+ 1 A A 2 1_555 B U 12 1_555 -0.184 -0.187 0.528 -1.329 -17.797 3.879 2 A_A2:U12_B A 2 ? B 12 ? 20 1
1005
+ 1 A C 3 1_555 B G 11 1_555 0.245 -0.155 0.445 -2.820 -18.735 6.501 3 A_C3:G11_B A 3 ? B 11 ? 19 1
1006
+ 1 A U 4 1_555 B A 10 1_555 0.179 -0.236 0.175 0.270 -16.122 -0.508 4 A_U4:A10_B A 4 ? B 10 ? 20 1
1007
+ 1 A A 6 1_555 B U 9 1_555 0.237 -0.233 -0.458 -8.766 -14.060 13.839 5 A_A6:U9_B A 6 ? B 9 ? 20 1
1008
+ 1 A C 7 1_555 B G 8 1_555 0.168 -0.139 -1.059 17.448 -17.470 2.373 6 A_C7:G8_B A 7 ? B 8 ? 19 1
1009
+ 1 A G 8 1_555 B C 7 1_555 -0.350 0.031 0.221 -0.936 -12.536 6.261 7 A_G8:C7_B A 8 ? B 7 ? 19 1
1010
+ 1 A U 9 1_555 B A 6 1_555 -0.260 -0.346 0.262 0.295 -11.272 6.848 8 A_U9:A6_B A 9 ? B 6 ? 20 1
1011
+ 1 A A 10 1_555 B U 4 1_555 0.355 -0.225 0.490 -2.048 -9.970 -0.311 9 A_A10:U4_B A 10 ? B 4 ? 20 1
1012
+ 1 A G 11 1_555 B C 3 1_555 -0.460 0.013 0.477 -3.324 -16.788 2.488 10 A_G11:C3_B A 11 ? B 3 ? 19 1
1013
+ 1 A U 12 1_555 B A 2 1_555 -0.178 0.059 0.414 -5.864 -13.007 8.348 11 A_U12:A2_B A 12 ? B 2 ? 20 1
1014
+ 1 A A 13 1_555 B U 1 1_555 0.286 -0.086 0.420 -3.181 -6.283 2.172 12 A_A13:U1_B A 13 ? B 1 ? 20 1
1015
+ #
1016
+ loop_
1017
+ _ndb_struct_na_base_pair_step.model_number
1018
+ _ndb_struct_na_base_pair_step.i_label_asym_id_1
1019
+ _ndb_struct_na_base_pair_step.i_label_comp_id_1
1020
+ _ndb_struct_na_base_pair_step.i_label_seq_id_1
1021
+ _ndb_struct_na_base_pair_step.i_symmetry_1
1022
+ _ndb_struct_na_base_pair_step.j_label_asym_id_1
1023
+ _ndb_struct_na_base_pair_step.j_label_comp_id_1
1024
+ _ndb_struct_na_base_pair_step.j_label_seq_id_1
1025
+ _ndb_struct_na_base_pair_step.j_symmetry_1
1026
+ _ndb_struct_na_base_pair_step.i_label_asym_id_2
1027
+ _ndb_struct_na_base_pair_step.i_label_comp_id_2
1028
+ _ndb_struct_na_base_pair_step.i_label_seq_id_2
1029
+ _ndb_struct_na_base_pair_step.i_symmetry_2
1030
+ _ndb_struct_na_base_pair_step.j_label_asym_id_2
1031
+ _ndb_struct_na_base_pair_step.j_label_comp_id_2
1032
+ _ndb_struct_na_base_pair_step.j_label_seq_id_2
1033
+ _ndb_struct_na_base_pair_step.j_symmetry_2
1034
+ _ndb_struct_na_base_pair_step.shift
1035
+ _ndb_struct_na_base_pair_step.slide
1036
+ _ndb_struct_na_base_pair_step.rise
1037
+ _ndb_struct_na_base_pair_step.tilt
1038
+ _ndb_struct_na_base_pair_step.roll
1039
+ _ndb_struct_na_base_pair_step.twist
1040
+ _ndb_struct_na_base_pair_step.x_displacement
1041
+ _ndb_struct_na_base_pair_step.y_displacement
1042
+ _ndb_struct_na_base_pair_step.helical_rise
1043
+ _ndb_struct_na_base_pair_step.inclination
1044
+ _ndb_struct_na_base_pair_step.tip
1045
+ _ndb_struct_na_base_pair_step.helical_twist
1046
+ _ndb_struct_na_base_pair_step.step_number
1047
+ _ndb_struct_na_base_pair_step.step_name
1048
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_1
1049
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_1
1050
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_1
1051
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_1
1052
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_1
1053
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_1
1054
+ _ndb_struct_na_base_pair_step.i_auth_asym_id_2
1055
+ _ndb_struct_na_base_pair_step.i_auth_seq_id_2
1056
+ _ndb_struct_na_base_pair_step.i_PDB_ins_code_2
1057
+ _ndb_struct_na_base_pair_step.j_auth_asym_id_2
1058
+ _ndb_struct_na_base_pair_step.j_auth_seq_id_2
1059
+ _ndb_struct_na_base_pair_step.j_PDB_ins_code_2
1060
+ 1 A U 1 1_555 B A 13 1_555 A A 2 1_555 B U 12 1_555 -0.458 -1.404 3.234 -4.709 10.620 33.911 -3.717 0.111 2.723 17.580 7.794
1061
+ 35.790 1 AA_U1A2:U12A13_BB A 1 ? B 13 ? A 2 ? B 12 ?
1062
+ 1 A A 2 1_555 B U 12 1_555 A C 3 1_555 B G 11 1_555 -0.438 -1.233 3.296 -2.201 3.943 33.236 -2.779 0.401 3.154 6.854 3.826
1063
+ 33.533 2 AA_A2C3:G11U12_BB A 2 ? B 12 ? A 3 ? B 11 ?
1064
+ 1 A C 3 1_555 B G 11 1_555 A U 4 1_555 B A 10 1_555 -0.600 -1.100 3.100 -0.201 8.436 32.098 -3.213 1.021 2.734 14.937 0.356
1065
+ 33.161 3 AA_C3U4:A10G11_BB A 3 ? B 11 ? A 4 ? B 10 ?
1066
+ 1 A U 4 1_555 B A 10 1_555 A A 6 1_555 B U 9 1_555 -0.633 -1.451 3.468 1.298 9.109 40.178 -3.059 1.042 3.061 13.053 -1.860
1067
+ 41.175 4 AA_U4A6:U9A10_BB A 4 ? B 10 ? A 6 ? B 9 ?
1068
+ 1 A A 6 1_555 B U 9 1_555 A C 7 1_555 B G 8 1_555 -0.563 -0.951 2.667 5.188 3.656 28.717 -2.488 1.981 2.394 7.259 -10.301
1069
+ 29.396 5 AA_A6C7:G8U9_BB A 6 ? B 9 ? A 7 ? B 8 ?
1070
+ 1 A C 7 1_555 B G 8 1_555 A G 8 1_555 B C 7 1_555 1.139 -1.821 3.755 -6.202 16.653 24.981 -6.599 -3.332 1.877 33.605 12.515
1071
+ 30.574 6 AA_C7G8:C7G8_BB A 7 ? B 8 ? A 8 ? B 7 ?
1072
+ 1 A G 8 1_555 B C 7 1_555 A U 9 1_555 B A 6 1_555 -0.358 -1.882 3.235 -0.495 1.265 31.559 -3.688 0.569 3.164 2.324 0.910
1073
+ 31.587 7 AA_G8U9:A6C7_BB A 8 ? B 7 ? A 9 ? B 6 ?
1074
+ 1 A U 9 1_555 B A 6 1_555 A A 10 1_555 B U 4 1_555 0.495 -1.516 3.094 1.431 6.758 39.613 -2.906 -0.572 2.824 9.880 -2.092
1075
+ 40.187 8 AA_U9A10:U4A6_BB A 9 ? B 6 ? A 10 ? B 4 ?
1076
+ 1 A A 10 1_555 B U 4 1_555 A G 11 1_555 B C 3 1_555 0.696 -1.541 3.136 3.069 12.248 27.928 -5.044 -0.787 2.332 23.893 -5.986
1077
+ 30.598 9 AA_A10G11:C3U4_BB A 10 ? B 4 ? A 11 ? B 3 ?
1078
+ 1 A G 11 1_555 B C 3 1_555 A U 12 1_555 B A 2 1_555 0.533 -1.420 3.340 2.237 4.024 33.643 -3.078 -0.554 3.182 6.912 -3.843
1079
+ 33.948 10 AA_G11U12:A2C3_BB A 11 ? B 3 ? A 12 ? B 2 ?
1080
+ 1 A U 12 1_555 B A 2 1_555 A A 13 1_555 B U 1 1_555 -0.238 -1.455 2.948 1.041 10.276 35.876 -3.421 0.488 2.446 16.271 -1.649
1081
+ 37.286 11 AA_U12A13:U1A2_BB A 12 ? B 2 ? A 13 ? B 1 ?
1082
+ #
1083
+ _atom_sites.entry_id 1I9X
1084
+ _atom_sites.fract_transf_matrix[1][1] 0.034783
1085
+ _atom_sites.fract_transf_matrix[1][2] 0.000000
1086
+ _atom_sites.fract_transf_matrix[1][3] 0.001744
1087
+ _atom_sites.fract_transf_matrix[2][1] 0.000000
1088
+ _atom_sites.fract_transf_matrix[2][2] 0.023585
1089
+ _atom_sites.fract_transf_matrix[2][3] 0.000000
1090
+ _atom_sites.fract_transf_matrix[3][1] 0.000000
1091
+ _atom_sites.fract_transf_matrix[3][2] 0.000000
1092
+ _atom_sites.fract_transf_matrix[3][3] 0.030213
1093
+ _atom_sites.fract_transf_vector[1] 0.00000
1094
+ _atom_sites.fract_transf_vector[2] 0.00000
1095
+ _atom_sites.fract_transf_vector[3] 0.00000
1096
+ #
1097
+ loop_
1098
+ _atom_type.symbol
1099
+ C
1100
+ N
1101
+ O
1102
+ P
1103
+ #
1104
+ loop_
1105
+ _atom_site.group_PDB
1106
+ _atom_site.id
1107
+ _atom_site.type_symbol
1108
+ _atom_site.label_atom_id
1109
+ _atom_site.label_alt_id
1110
+ _atom_site.label_comp_id
1111
+ _atom_site.label_asym_id
1112
+ _atom_site.label_entity_id
1113
+ _atom_site.label_seq_id
1114
+ _atom_site.pdbx_PDB_ins_code
1115
+ _atom_site.Cartn_x
1116
+ _atom_site.Cartn_y
1117
+ _atom_site.Cartn_z
1118
+ _atom_site.occupancy
1119
+ _atom_site.B_iso_or_equiv
1120
+ _atom_site.pdbx_formal_charge
1121
+ _atom_site.auth_seq_id
1122
+ _atom_site.auth_comp_id
1123
+ _atom_site.auth_asym_id
1124
+ _atom_site.auth_atom_id
1125
+ _atom_site.pdbx_PDB_model_num
1126
+ ATOM 1 O "O5'" . U A 1 1 ? -2.945 5.315 3.296 1.00 72.11 ? 1 U A "O5'" 1
1127
+ ATOM 2 C "C5'" . U A 1 1 ? -3.231 6.714 3.322 1.00 71.04 ? 1 U A "C5'" 1
1128
+ ATOM 3 C "C4'" . U A 1 1 ? -4.705 6.973 3.134 1.00 70.45 ? 1 U A "C4'" 1
1129
+ ATOM 4 O "O4'" . U A 1 1 ? -5.156 6.249 1.958 1.00 71.15 ? 1 U A "O4'" 1
1130
+ ATOM 5 C "C3'" . U A 1 1 ? -5.604 6.455 4.244 1.00 70.87 ? 1 U A "C3'" 1
1131
+ ATOM 6 O "O3'" . U A 1 1 ? -5.684 7.392 5.311 1.00 73.24 ? 1 U A "O3'" 1
1132
+ ATOM 7 C "C2'" . U A 1 1 ? -6.937 6.304 3.524 1.00 69.00 ? 1 U A "C2'" 1
1133
+ ATOM 8 O "O2'" . U A 1 1 ? -7.599 7.538 3.337 1.00 69.56 ? 1 U A "O2'" 1
1134
+ ATOM 9 C "C1'" . U A 1 1 ? -6.482 5.789 2.160 1.00 67.20 ? 1 U A "C1'" 1
1135
+ ATOM 10 N N1 . U A 1 1 ? -6.490 4.324 2.063 1.00 63.74 ? 1 U A N1 1
1136
+ ATOM 11 C C2 . U A 1 1 ? -7.709 3.710 1.812 1.00 61.83 ? 1 U A C2 1
1137
+ ATOM 12 O O2 . U A 1 1 ? -8.746 4.334 1.687 1.00 61.51 ? 1 U A O2 1
1138
+ ATOM 13 N N3 . U A 1 1 ? -7.664 2.344 1.716 1.00 59.09 ? 1 U A N3 1
1139
+ ATOM 14 C C4 . U A 1 1 ? -6.548 1.540 1.843 1.00 60.57 ? 1 U A C4 1
1140
+ ATOM 15 O O4 . U A 1 1 ? -6.667 0.318 1.730 1.00 58.99 ? 1 U A O4 1
1141
+ ATOM 16 C C5 . U A 1 1 ? -5.325 2.248 2.110 1.00 60.22 ? 1 U A C5 1
1142
+ ATOM 17 C C6 . U A 1 1 ? -5.339 3.582 2.209 1.00 61.09 ? 1 U A C6 1
1143
+ ATOM 18 P P . A A 1 2 ? -6.118 6.892 6.775 1.00 74.84 ? 2 A A P 1
1144
+ ATOM 19 O OP1 . A A 1 2 ? -5.945 8.018 7.730 1.00 75.13 ? 2 A A OP1 1
1145
+ ATOM 20 O OP2 . A A 1 2 ? -5.442 5.590 7.032 1.00 74.41 ? 2 A A OP2 1
1146
+ ATOM 21 O "O5'" . A A 1 2 ? -7.681 6.616 6.637 1.00 74.53 ? 2 A A "O5'" 1
1147
+ ATOM 22 C "C5'" . A A 1 2 ? -8.587 7.677 6.322 1.00 73.06 ? 2 A A "C5'" 1
1148
+ ATOM 23 C "C4'" . A A 1 2 ? -9.969 7.122 6.077 1.00 73.12 ? 2 A A "C4'" 1
1149
+ ATOM 24 O "O4'" . A A 1 2 ? -9.945 6.272 4.901 1.00 71.41 ? 2 A A "O4'" 1
1150
+ ATOM 25 C "C3'" . A A 1 2 ? -10.490 6.209 7.171 1.00 73.19 ? 2 A A "C3'" 1
1151
+ ATOM 26 O "O3'" . A A 1 2 ? -11.089 6.955 8.218 1.00 75.83 ? 2 A A "O3'" 1
1152
+ ATOM 27 C "C2'" . A A 1 2 ? -11.524 5.378 6.431 1.00 72.15 ? 2 A A "C2'" 1
1153
+ ATOM 28 O "O2'" . A A 1 2 ? -12.743 6.075 6.249 1.00 72.98 ? 2 A A "O2'" 1
1154
+ ATOM 29 C "C1'" . A A 1 2 ? -10.843 5.192 5.078 1.00 70.73 ? 2 A A "C1'" 1
1155
+ ATOM 30 N N9 . A A 1 2 ? -10.085 3.950 4.984 1.00 67.95 ? 2 A A N9 1
1156
+ ATOM 31 C C8 . A A 1 2 ? -8.727 3.800 5.021 1.00 67.58 ? 2 A A C8 1
1157
+ ATOM 32 N N7 . A A 1 2 ? -8.329 2.558 4.898 1.00 66.96 ? 2 A A N7 1
1158
+ ATOM 33 C C5 . A A 1 2 ? -9.507 1.841 4.776 1.00 64.47 ? 2 A A C5 1
1159
+ ATOM 34 C C6 . A A 1 2 ? -9.764 0.478 4.612 1.00 63.75 ? 2 A A C6 1
1160
+ ATOM 35 N N6 . A A 1 2 ? -8.807 -0.449 4.522 1.00 61.19 ? 2 A A N6 1
1161
+ ATOM 36 N N1 . A A 1 2 ? -11.057 0.087 4.532 1.00 64.34 ? 2 A A N1 1
1162
+ ATOM 37 C C2 . A A 1 2 ? -12.013 1.018 4.601 1.00 64.36 ? 2 A A C2 1
1163
+ ATOM 38 N N3 . A A 1 2 ? -11.895 2.334 4.746 1.00 65.23 ? 2 A A N3 1
1164
+ ATOM 39 C C4 . A A 1 2 ? -10.599 2.685 4.831 1.00 66.41 ? 2 A A C4 1
1165
+ ATOM 40 P P . C A 1 3 ? -11.106 6.351 9.705 1.00 77.56 ? 3 C A P 1
1166
+ ATOM 41 O OP1 . C A 1 3 ? -11.417 7.438 10.668 1.00 78.39 ? 3 C A OP1 1
1167
+ ATOM 42 O OP2 . C A 1 3 ? -9.864 5.555 9.864 1.00 76.66 ? 3 C A OP2 1
1168
+ ATOM 43 O "O5'" . C A 1 3 ? -12.309 5.307 9.701 1.00 77.34 ? 3 C A "O5'" 1
1169
+ ATOM 44 C "C5'" . C A 1 3 ? -13.645 5.701 9.406 1.00 76.54 ? 3 C A "C5'" 1
1170
+ ATOM 45 C "C4'" . C A 1 3 ? -14.485 4.472 9.174 1.00 77.79 ? 3 C A "C4'" 1
1171
+ ATOM 46 O "O4'" . C A 1 3 ? -13.942 3.764 8.030 1.00 77.72 ? 3 C A "O4'" 1
1172
+ ATOM 47 C "C3'" . C A 1 3 ? -14.425 3.449 10.297 1.00 78.25 ? 3 C A "C3'" 1
1173
+ ATOM 48 O "O3'" . C A 1 3 ? -15.386 3.735 11.305 1.00 79.84 ? 3 C A "O3'" 1
1174
+ ATOM 49 C "C2'" . C A 1 3 ? -14.757 2.153 9.575 1.00 78.21 ? 3 C A "C2'" 1
1175
+ ATOM 50 O "O2'" . C A 1 3 ? -16.146 1.989 9.379 1.00 78.66 ? 3 C A "O2'" 1
1176
+ ATOM 51 C "C1'" . C A 1 3 ? -14.061 2.367 8.230 1.00 77.63 ? 3 C A "C1'" 1
1177
+ ATOM 52 N N1 . C A 1 3 ? -12.719 1.766 8.153 1.00 77.10 ? 3 C A N1 1
1178
+ ATOM 53 C C2 . C A 1 3 ? -12.619 0.388 7.950 1.00 77.30 ? 3 C A C2 1
1179
+ ATOM 54 O O2 . C A 1 3 ? -13.661 -0.284 7.885 1.00 78.24 ? 3 C A O2 1
1180
+ ATOM 55 N N3 . C A 1 3 ? -11.395 -0.180 7.838 1.00 76.31 ? 3 C A N3 1
1181
+ ATOM 56 C C4 . C A 1 3 ? -10.298 0.574 7.943 1.00 76.08 ? 3 C A C4 1
1182
+ ATOM 57 N N4 . C A 1 3 ? -9.114 -0.028 7.817 1.00 75.02 ? 3 C A N4 1
1183
+ ATOM 58 C C5 . C A 1 3 ? -10.369 1.979 8.177 1.00 76.08 ? 3 C A C5 1
1184
+ ATOM 59 C C6 . C A 1 3 ? -11.589 2.530 8.270 1.00 76.54 ? 3 C A C6 1
1185
+ ATOM 60 P P . U A 1 4 ? -15.066 3.375 12.837 1.00 80.77 ? 4 U A P 1
1186
+ ATOM 61 O OP1 . U A 1 4 ? -15.973 4.182 13.691 1.00 82.51 ? 4 U A OP1 1
1187
+ ATOM 62 O OP2 . U A 1 4 ? -13.599 3.501 13.011 1.00 81.65 ? 4 U A OP2 1
1188
+ ATOM 63 O "O5'" . U A 1 4 ? -15.423 1.827 12.963 1.00 81.45 ? 4 U A "O5'" 1
1189
+ ATOM 64 C "C5'" . U A 1 4 ? -16.734 1.330 12.687 1.00 81.60 ? 4 U A "C5'" 1
1190
+ ATOM 65 C "C4'" . U A 1 4 ? -16.677 -0.167 12.489 1.00 82.26 ? 4 U A "C4'" 1
1191
+ ATOM 66 O "O4'" . U A 1 4 ? -15.763 -0.431 11.401 1.00 81.99 ? 4 U A "O4'" 1
1192
+ ATOM 67 C "C3'" . U A 1 4 ? -16.104 -0.953 13.664 1.00 83.05 ? 4 U A "C3'" 1
1193
+ ATOM 68 O "O3'" . U A 1 4 ? -17.136 -1.364 14.549 1.00 85.62 ? 4 U A "O3'" 1
1194
+ ATOM 69 C "C2'" . U A 1 4 ? -15.509 -2.190 13.004 1.00 82.68 ? 4 U A "C2'" 1
1195
+ ATOM 70 O "O2'" . U A 1 4 ? -16.442 -3.240 12.861 1.00 83.20 ? 4 U A "O2'" 1
1196
+ ATOM 71 C "C1'" . U A 1 4 ? -15.111 -1.663 11.625 1.00 81.62 ? 4 U A "C1'" 1
1197
+ ATOM 72 N N1 . U A 1 4 ? -13.669 -1.481 11.428 1.00 80.29 ? 4 U A N1 1
1198
+ ATOM 73 C C2 . U A 1 4 ? -12.942 -2.598 11.086 1.00 78.90 ? 4 U A C2 1
1199
+ ATOM 74 O O2 . U A 1 4 ? -13.443 -3.704 11.001 1.00 77.52 ? 4 U A O2 1
1200
+ ATOM 75 N N3 . U A 1 4 ? -11.609 -2.373 10.847 1.00 78.08 ? 4 U A N3 1
1201
+ ATOM 76 C C4 . U A 1 4 ? -10.948 -1.169 10.923 1.00 78.03 ? 4 U A C4 1
1202
+ ATOM 77 O O4 . U A 1 4 ? -9.770 -1.111 10.584 1.00 77.81 ? 4 U A O4 1
1203
+ ATOM 78 C C5 . U A 1 4 ? -11.766 -0.060 11.317 1.00 78.81 ? 4 U A C5 1
1204
+ ATOM 79 C C6 . U A 1 4 ? -13.067 -0.250 11.554 1.00 79.75 ? 4 U A C6 1
1205
+ ATOM 80 P P . A A 1 5 ? -17.566 -0.413 15.762 1.00 87.39 ? 5 A A P 1
1206
+ ATOM 81 O OP1 . A A 1 5 ? -18.357 0.689 15.167 1.00 86.21 ? 5 A A OP1 1
1207
+ ATOM 82 O OP2 . A A 1 5 ? -16.352 -0.097 16.566 1.00 87.32 ? 5 A A OP2 1
1208
+ ATOM 83 O "O5'" . A A 1 5 ? -18.543 -1.329 16.628 1.00 85.59 ? 5 A A "O5'" 1
1209
+ ATOM 84 C "C5'" . A A 1 5 ? -18.015 -2.195 17.623 1.00 82.00 ? 5 A A "C5'" 1
1210
+ ATOM 85 C "C4'" . A A 1 5 ? -18.615 -3.581 17.522 1.00 79.68 ? 5 A A "C4'" 1
1211
+ ATOM 86 O "O4'" . A A 1 5 ? -19.828 -3.661 18.302 1.00 77.66 ? 5 A A "O4'" 1
1212
+ ATOM 87 C "C3'" . A A 1 5 ? -19.006 -3.977 16.105 1.00 79.19 ? 5 A A "C3'" 1
1213
+ ATOM 88 O "O3'" . A A 1 5 ? -18.513 -5.271 15.768 1.00 81.88 ? 5 A A "O3'" 1
1214
+ ATOM 89 C "C2'" . A A 1 5 ? -20.517 -3.750 15.992 1.00 77.66 ? 5 A A "C2'" 1
1215
+ ATOM 90 O "O2'" . A A 1 5 ? -21.162 -4.851 15.364 1.00 78.26 ? 5 A A "O2'" 1
1216
+ ATOM 91 C "C1'" . A A 1 5 ? -20.941 -3.826 17.454 1.00 75.37 ? 5 A A "C1'" 1
1217
+ ATOM 92 N N9 . A A 1 5 ? -22.039 -3.008 17.951 1.00 71.30 ? 5 A A N9 1
1218
+ ATOM 93 C C8 . A A 1 5 ? -22.294 -1.664 17.865 1.00 70.55 ? 5 A A C8 1
1219
+ ATOM 94 N N7 . A A 1 5 ? -23.346 -1.286 18.552 1.00 69.57 ? 5 A A N7 1
1220
+ ATOM 95 C C5 . A A 1 5 ? -23.832 -2.473 19.093 1.00 69.06 ? 5 A A C5 1
1221
+ ATOM 96 C C6 . A A 1 5 ? -24.932 -2.769 19.925 1.00 66.87 ? 5 A A C6 1
1222
+ ATOM 97 N N6 . A A 1 5 ? -25.791 -1.854 20.367 1.00 65.93 ? 5 A A N6 1
1223
+ ATOM 98 N N1 . A A 1 5 ? -25.117 -4.059 20.286 1.00 67.07 ? 5 A A N1 1
1224
+ ATOM 99 C C2 . A A 1 5 ? -24.264 -4.981 19.823 1.00 67.11 ? 5 A A C2 1
1225
+ ATOM 100 N N3 . A A 1 5 ? -23.213 -4.829 19.030 1.00 67.63 ? 5 A A N3 1
1226
+ ATOM 101 C C4 . A A 1 5 ? -23.047 -3.537 18.707 1.00 69.25 ? 5 A A C4 1
1227
+ ATOM 102 P P . A A 1 6 ? -18.563 -5.795 14.248 1.00 83.52 ? 6 A A P 1
1228
+ ATOM 103 O OP1 . A A 1 6 ? -18.701 -4.631 13.339 1.00 84.77 ? 6 A A OP1 1
1229
+ ATOM 104 O OP2 . A A 1 6 ? -19.546 -6.912 14.185 1.00 84.46 ? 6 A A OP2 1
1230
+ ATOM 105 O "O5'" . A A 1 6 ? -17.122 -6.427 14.045 1.00 82.46 ? 6 A A "O5'" 1
1231
+ ATOM 106 C "C5'" . A A 1 6 ? -16.142 -6.260 15.063 1.00 78.98 ? 6 A A "C5'" 1
1232
+ ATOM 107 C "C4'" . A A 1 6 ? -15.158 -7.389 15.029 1.00 76.50 ? 6 A A "C4'" 1
1233
+ ATOM 108 O "O4'" . A A 1 6 ? -14.328 -7.259 13.847 1.00 75.57 ? 6 A A "O4'" 1
1234
+ ATOM 109 C "C3'" . A A 1 6 ? -14.169 -7.394 16.172 1.00 75.33 ? 6 A A "C3'" 1
1235
+ ATOM 110 O "O3'" . A A 1 6 ? -14.756 -8.016 17.297 1.00 74.96 ? 6 A A "O3'" 1
1236
+ ATOM 111 C "C2'" . A A 1 6 ? -13.022 -8.190 15.573 1.00 74.78 ? 6 A A "C2'" 1
1237
+ ATOM 112 O "O2'" . A A 1 6 ? -13.302 -9.575 15.500 1.00 73.22 ? 6 A A "O2'" 1
1238
+ ATOM 113 C "C1'" . A A 1 6 ? -12.993 -7.604 14.161 1.00 74.15 ? 6 A A "C1'" 1
1239
+ ATOM 114 N N9 . A A 1 6 ? -12.179 -6.393 14.040 1.00 71.94 ? 6 A A N9 1
1240
+ ATOM 115 C C8 . A A 1 6 ? -12.538 -5.082 14.259 1.00 69.57 ? 6 A A C8 1
1241
+ ATOM 116 N N7 . A A 1 6 ? -11.579 -4.222 14.016 1.00 68.48 ? 6 A A N7 1
1242
+ ATOM 117 C C5 . A A 1 6 ? -10.510 -5.021 13.621 1.00 68.83 ? 6 A A C5 1
1243
+ ATOM 118 C C6 . A A 1 6 ? -9.190 -4.722 13.212 1.00 67.10 ? 6 A A C6 1
1244
+ ATOM 119 N N6 . A A 1 6 ? -8.690 -3.488 13.134 1.00 65.67 ? 6 A A N6 1
1245
+ ATOM 120 N N1 . A A 1 6 ? -8.392 -5.756 12.878 1.00 66.39 ? 6 A A N1 1
1246
+ ATOM 121 C C2 . A A 1 6 ? -8.884 -6.999 12.953 1.00 68.19 ? 6 A A C2 1
1247
+ ATOM 122 N N3 . A A 1 6 ? -10.095 -7.408 13.322 1.00 68.98 ? 6 A A N3 1
1248
+ ATOM 123 C C4 . A A 1 6 ? -10.868 -6.357 13.645 1.00 69.56 ? 6 A A C4 1
1249
+ ATOM 124 P P . C A 1 7 ? -14.013 -7.939 18.707 1.00 74.83 ? 7 C A P 1
1250
+ ATOM 125 O OP1 . C A 1 7 ? -14.948 -8.260 19.813 1.00 76.79 ? 7 C A OP1 1
1251
+ ATOM 126 O OP2 . C A 1 7 ? -13.289 -6.645 18.710 1.00 75.04 ? 7 C A OP2 1
1252
+ ATOM 127 O "O5'" . C A 1 7 ? -12.983 -9.144 18.604 1.00 73.85 ? 7 C A "O5'" 1
1253
+ ATOM 128 C "C5'" . C A 1 7 ? -11.839 -9.178 19.422 1.00 70.01 ? 7 C A "C5'" 1
1254
+ ATOM 129 C "C4'" . C A 1 7 ? -10.799 -10.081 18.821 1.00 67.17 ? 7 C A "C4'" 1
1255
+ ATOM 130 O "O4'" . C A 1 7 ? -10.598 -9.754 17.422 1.00 65.51 ? 7 C A "O4'" 1
1256
+ ATOM 131 C "C3'" . C A 1 7 ? -9.448 -9.861 19.458 1.00 65.80 ? 7 C A "C3'" 1
1257
+ ATOM 132 O "O3'" . C A 1 7 ? -9.361 -10.595 20.654 1.00 66.37 ? 7 C A "O3'" 1
1258
+ ATOM 133 C "C2'" . C A 1 7 ? -8.500 -10.279 18.359 1.00 62.83 ? 7 C A "C2'" 1
1259
+ ATOM 134 O "O2'" . C A 1 7 ? -8.450 -11.684 18.236 1.00 62.58 ? 7 C A "O2'" 1
1260
+ ATOM 135 C "C1'" . C A 1 7 ? -9.208 -9.662 17.152 1.00 63.17 ? 7 C A "C1'" 1
1261
+ ATOM 136 N N1 . C A 1 7 ? -8.901 -8.237 16.950 1.00 60.65 ? 7 C A N1 1
1262
+ ATOM 137 C C2 . C A 1 7 ? -7.844 -7.891 16.115 1.00 58.35 ? 7 C A C2 1
1263
+ ATOM 138 O O2 . C A 1 7 ? -7.152 -8.792 15.632 1.00 58.81 ? 7 C A O2 1
1264
+ ATOM 139 N N3 . C A 1 7 ? -7.604 -6.590 15.855 1.00 56.02 ? 7 C A N3 1
1265
+ ATOM 140 C C4 . C A 1 7 ? -8.367 -5.647 16.408 1.00 55.99 ? 7 C A C4 1
1266
+ ATOM 141 N N4 . C A 1 7 ? -8.121 -4.377 16.086 1.00 50.77 ? 7 C A N4 1
1267
+ ATOM 142 C C5 . C A 1 7 ? -9.424 -5.966 17.304 1.00 56.36 ? 7 C A C5 1
1268
+ ATOM 143 C C6 . C A 1 7 ? -9.656 -7.265 17.545 1.00 58.48 ? 7 C A C6 1
1269
+ ATOM 144 P P . G A 1 8 ? -9.234 -9.790 22.028 1.00 68.59 ? 8 G A P 1
1270
+ ATOM 145 O OP1 . G A 1 8 ? -9.526 -10.743 23.131 1.00 70.19 ? 8 G A OP1 1
1271
+ ATOM 146 O OP2 . G A 1 8 ? -10.054 -8.555 21.873 1.00 68.25 ? 8 G A OP2 1
1272
+ ATOM 147 O "O5'" . G A 1 8 ? -7.692 -9.336 22.060 1.00 64.31 ? 8 G A "O5'" 1
1273
+ ATOM 148 C "C5'" . G A 1 8 ? -6.666 -10.317 21.988 1.00 58.49 ? 8 G A "C5'" 1
1274
+ ATOM 149 C "C4'" . G A 1 8 ? -5.455 -9.815 21.223 1.00 56.27 ? 8 G A "C4'" 1
1275
+ ATOM 150 O "O4'" . G A 1 8 ? -5.825 -9.198 19.962 1.00 54.24 ? 8 G A "O4'" 1
1276
+ ATOM 151 C "C3'" . G A 1 8 ? -4.552 -8.756 21.835 1.00 52.83 ? 8 G A "C3'" 1
1277
+ ATOM 152 O "O3'" . G A 1 8 ? -3.743 -9.326 22.849 1.00 53.42 ? 8 G A "O3'" 1
1278
+ ATOM 153 C "C2'" . G A 1 8 ? -3.687 -8.436 20.630 1.00 52.98 ? 8 G A "C2'" 1
1279
+ ATOM 154 O "O2'" . G A 1 8 ? -2.812 -9.522 20.379 1.00 51.39 ? 8 G A "O2'" 1
1280
+ ATOM 155 C "C1'" . G A 1 8 ? -4.747 -8.380 19.524 1.00 51.85 ? 8 G A "C1'" 1
1281
+ ATOM 156 N N9 . G A 1 8 ? -5.233 -7.020 19.351 1.00 50.64 ? 8 G A N9 1
1282
+ ATOM 157 C C8 . G A 1 8 ? -6.486 -6.543 19.628 1.00 50.15 ? 8 G A C8 1
1283
+ ATOM 158 N N7 . G A 1 8 ? -6.614 -5.268 19.376 1.00 50.75 ? 8 G A N7 1
1284
+ ATOM 159 C C5 . G A 1 8 ? -5.371 -4.881 18.901 1.00 50.09 ? 8 G A C5 1
1285
+ ATOM 160 C C6 . G A 1 8 ? -4.909 -3.622 18.472 1.00 48.57 ? 8 G A C6 1
1286
+ ATOM 161 O O6 . G A 1 8 ? -5.519 -2.551 18.427 1.00 48.64 ? 8 G A O6 1
1287
+ ATOM 162 N N1 . G A 1 8 ? -3.576 -3.675 18.068 1.00 49.73 ? 8 G A N1 1
1288
+ ATOM 163 C C2 . G A 1 8 ? -2.792 -4.795 18.080 1.00 48.10 ? 8 G A C2 1
1289
+ ATOM 164 N N2 . G A 1 8 ? -1.549 -4.635 17.615 1.00 48.39 ? 8 G A N2 1
1290
+ ATOM 165 N N3 . G A 1 8 ? -3.203 -5.978 18.497 1.00 48.22 ? 8 G A N3 1
1291
+ ATOM 166 C C4 . G A 1 8 ? -4.502 -5.950 18.883 1.00 49.29 ? 8 G A C4 1
1292
+ ATOM 167 P P . U A 1 9 ? -3.329 -8.450 24.128 1.00 52.95 ? 9 U A P 1
1293
+ ATOM 168 O OP1 . U A 1 9 ? -3.002 -9.439 25.169 1.00 53.80 ? 9 U A OP1 1
1294
+ ATOM 169 O OP2 . U A 1 9 ? -4.340 -7.411 24.408 1.00 52.80 ? 9 U A OP2 1
1295
+ ATOM 170 O "O5'" . U A 1 9 ? -2.029 -7.658 23.638 1.00 51.72 ? 9 U A "O5'" 1
1296
+ ATOM 171 C "C5'" . U A 1 9 ? -0.957 -8.331 22.976 1.00 49.31 ? 9 U A "C5'" 1
1297
+ ATOM 172 C "C4'" . U A 1 9 ? 0.064 -7.334 22.458 1.00 49.52 ? 9 U A "C4'" 1
1298
+ ATOM 173 O "O4'" . U A 1 9 ? -0.391 -6.719 21.225 1.00 48.65 ? 9 U A "O4'" 1
1299
+ ATOM 174 C "C3'" . U A 1 9 ? 0.395 -6.148 23.350 1.00 49.99 ? 9 U A "C3'" 1
1300
+ ATOM 175 O "O3'" . U A 1 9 ? 1.283 -6.513 24.387 1.00 54.24 ? 9 U A "O3'" 1
1301
+ ATOM 176 C "C2'" . U A 1 9 ? 1.036 -5.204 22.347 1.00 49.10 ? 9 U A "C2'" 1
1302
+ ATOM 177 O "O2'" . U A 1 9 ? 2.330 -5.623 21.954 1.00 50.40 ? 9 U A "O2'" 1
1303
+ ATOM 178 C "C1'" . U A 1 9 ? 0.101 -5.388 21.149 1.00 48.29 ? 9 U A "C1'" 1
1304
+ ATOM 179 N N1 . U A 1 9 ? -1.037 -4.467 21.218 1.00 45.73 ? 9 U A N1 1
1305
+ ATOM 180 C C2 . U A 1 9 ? -0.835 -3.187 20.773 1.00 46.09 ? 9 U A C2 1
1306
+ ATOM 181 O O2 . U A 1 9 ? 0.227 -2.805 20.327 1.00 46.79 ? 9 U A O2 1
1307
+ ATOM 182 N N3 . U A 1 9 ? -1.925 -2.358 20.854 1.00 46.63 ? 9 U A N3 1
1308
+ ATOM 183 C C4 . U A 1 9 ? -3.174 -2.680 21.323 1.00 47.83 ? 9 U A C4 1
1309
+ ATOM 184 O O4 . U A 1 9 ? -4.067 -1.829 21.271 1.00 46.39 ? 9 U A O4 1
1310
+ ATOM 185 C C5 . U A 1 9 ? -3.310 -4.029 21.787 1.00 48.60 ? 9 U A C5 1
1311
+ ATOM 186 C C6 . U A 1 9 ? -2.261 -4.863 21.716 1.00 45.15 ? 9 U A C6 1
1312
+ ATOM 187 P P . A A 1 10 ? 1.191 -5.780 25.812 1.00 58.36 ? 10 A A P 1
1313
+ ATOM 188 O OP1 . A A 1 10 ? 2.144 -6.520 26.671 1.00 60.38 ? 10 A A OP1 1
1314
+ ATOM 189 O OP2 . A A 1 10 ? -0.227 -5.669 26.239 1.00 61.92 ? 10 A A OP2 1
1315
+ ATOM 190 O "O5'" . A A 1 10 ? 1.723 -4.309 25.527 1.00 58.09 ? 10 A A "O5'" 1
1316
+ ATOM 191 C "C5'" . A A 1 10 ? 3.024 -4.110 24.988 1.00 57.41 ? 10 A A "C5'" 1
1317
+ ATOM 192 C "C4'" . A A 1 10 ? 3.222 -2.672 24.575 1.00 57.36 ? 10 A A "C4'" 1
1318
+ ATOM 193 O "O4'" . A A 1 10 ? 2.424 -2.370 23.402 1.00 55.72 ? 10 A A "O4'" 1
1319
+ ATOM 194 C "C3'" . A A 1 10 ? 2.821 -1.599 25.566 1.00 58.46 ? 10 A A "C3'" 1
1320
+ ATOM 195 O "O3'" . A A 1 10 ? 3.811 -1.415 26.565 1.00 61.15 ? 10 A A "O3'" 1
1321
+ ATOM 196 C "C2'" . A A 1 10 ? 2.720 -0.386 24.654 1.00 55.98 ? 10 A A "C2'" 1
1322
+ ATOM 197 O "O2'" . A A 1 10 ? 3.975 0.144 24.287 1.00 57.01 ? 10 A A "O2'" 1
1323
+ ATOM 198 C "C1'" . A A 1 10 ? 2.057 -0.998 23.418 1.00 54.29 ? 10 A A "C1'" 1
1324
+ ATOM 199 N N9 . A A 1 10 ? 0.602 -0.915 23.535 1.00 51.58 ? 10 A A N9 1
1325
+ ATOM 200 C C8 . A A 1 10 ? -0.248 -1.897 23.983 1.00 50.54 ? 10 A A C8 1
1326
+ ATOM 201 N N7 . A A 1 10 ? -1.499 -1.517 24.046 1.00 48.91 ? 10 A A N7 1
1327
+ ATOM 202 C C5 . A A 1 10 ? -1.473 -0.205 23.596 1.00 47.43 ? 10 A A C5 1
1328
+ ATOM 203 C C6 . A A 1 10 ? -2.489 0.748 23.428 1.00 47.11 ? 10 A A C6 1
1329
+ ATOM 204 N N6 . A A 1 10 ? -3.775 0.500 23.697 1.00 44.72 ? 10 A A N6 1
1330
+ ATOM 205 N N1 . A A 1 10 ? -2.142 1.970 22.967 1.00 44.74 ? 10 A A N1 1
1331
+ ATOM 206 C C2 . A A 1 10 ? -0.851 2.196 22.675 1.00 46.41 ? 10 A A C2 1
1332
+ ATOM 207 N N3 . A A 1 10 ? 0.195 1.370 22.782 1.00 47.37 ? 10 A A N3 1
1333
+ ATOM 208 C C4 . A A 1 10 ? -0.190 0.175 23.263 1.00 47.61 ? 10 A A C4 1
1334
+ ATOM 209 P P . G A 1 11 ? 3.375 -1.105 28.080 1.00 64.70 ? 11 G A P 1
1335
+ ATOM 210 O OP1 . G A 1 11 ? 4.594 -1.260 28.908 1.00 69.07 ? 11 G A OP1 1
1336
+ ATOM 211 O OP2 . G A 1 11 ? 2.161 -1.889 28.422 1.00 67.38 ? 11 G A OP2 1
1337
+ ATOM 212 O "O5'" . G A 1 11 ? 3.011 0.439 28.090 1.00 63.84 ? 11 G A "O5'" 1
1338
+ ATOM 213 C "C5'" . G A 1 11 ? 4.014 1.402 27.849 1.00 63.59 ? 11 G A "C5'" 1
1339
+ ATOM 214 C "C4'" . G A 1 11 ? 3.404 2.683 27.348 1.00 62.83 ? 11 G A "C4'" 1
1340
+ ATOM 215 O "O4'" . G A 1 11 ? 2.574 2.400 26.185 1.00 61.79 ? 11 G A "O4'" 1
1341
+ ATOM 216 C "C3'" . G A 1 11 ? 2.455 3.403 28.287 1.00 62.70 ? 11 G A "C3'" 1
1342
+ ATOM 217 O "O3'" . G A 1 11 ? 3.174 4.163 29.252 1.00 64.32 ? 11 G A "O3'" 1
1343
+ ATOM 218 C "C2'" . G A 1 11 ? 1.712 4.296 27.304 1.00 61.01 ? 11 G A "C2'" 1
1344
+ ATOM 219 O "O2'" . G A 1 11 ? 2.478 5.386 26.852 1.00 61.27 ? 11 G A "O2'" 1
1345
+ ATOM 220 C "C1'" . G A 1 11 ? 1.511 3.339 26.130 1.00 59.09 ? 11 G A "C1'" 1
1346
+ ATOM 221 N N9 . G A 1 11 ? 0.241 2.629 26.266 1.00 55.99 ? 11 G A N9 1
1347
+ ATOM 222 C C8 . G A 1 11 ? 0.030 1.322 26.637 1.00 54.21 ? 11 G A C8 1
1348
+ ATOM 223 N N7 . G A 1 11 ? -1.235 1.010 26.711 1.00 52.04 ? 11 G A N7 1
1349
+ ATOM 224 C C5 . G A 1 11 ? -1.893 2.178 26.346 1.00 51.66 ? 11 G A C5 1
1350
+ ATOM 225 C C6 . G A 1 11 ? -3.284 2.454 26.219 1.00 51.79 ? 11 G A C6 1
1351
+ ATOM 226 O O6 . G A 1 11 ? -4.237 1.689 26.401 1.00 52.06 ? 11 G A O6 1
1352
+ ATOM 227 N N1 . G A 1 11 ? -3.511 3.770 25.837 1.00 50.41 ? 11 G A N1 1
1353
+ ATOM 228 C C2 . G A 1 11 ? -2.534 4.700 25.591 1.00 53.12 ? 11 G A C2 1
1354
+ ATOM 229 N N2 . G A 1 11 ? -2.949 5.924 25.253 1.00 52.92 ? 11 G A N2 1
1355
+ ATOM 230 N N3 . G A 1 11 ? -1.238 4.450 25.679 1.00 53.01 ? 11 G A N3 1
1356
+ ATOM 231 C C4 . G A 1 11 ? -0.994 3.180 26.067 1.00 53.61 ? 11 G A C4 1
1357
+ ATOM 232 P P . U A 1 12 ? 2.588 4.339 30.740 1.00 66.39 ? 12 U A P 1
1358
+ ATOM 233 O OP1 . U A 1 12 ? 3.650 5.010 31.531 1.00 69.80 ? 12 U A OP1 1
1359
+ ATOM 234 O OP2 . U A 1 12 ? 2.030 3.053 31.217 1.00 66.24 ? 12 U A OP2 1
1360
+ ATOM 235 O "O5'" . U A 1 12 ? 1.415 5.400 30.577 1.00 66.67 ? 12 U A "O5'" 1
1361
+ ATOM 236 C "C5'" . U A 1 12 ? 1.695 6.719 30.132 1.00 65.75 ? 12 U A "C5'" 1
1362
+ ATOM 237 C "C4'" . U A 1 12 ? 0.416 7.441 29.789 1.00 65.91 ? 12 U A "C4'" 1
1363
+ ATOM 238 O "O4'" . U A 1 12 ? -0.263 6.748 28.702 1.00 65.23 ? 12 U A "O4'" 1
1364
+ ATOM 239 C "C3'" . U A 1 12 ? -0.646 7.499 30.875 1.00 66.62 ? 12 U A "C3'" 1
1365
+ ATOM 240 O "O3'" . U A 1 12 ? -0.387 8.538 31.806 1.00 70.59 ? 12 U A "O3'" 1
1366
+ ATOM 241 C "C2'" . U A 1 12 ? -1.878 7.822 30.051 1.00 64.90 ? 12 U A "C2'" 1
1367
+ ATOM 242 O "O2'" . U A 1 12 ? -1.854 9.163 29.610 1.00 64.24 ? 12 U A "O2'" 1
1368
+ ATOM 243 C "C1'" . U A 1 12 ? -1.665 6.908 28.848 1.00 63.19 ? 12 U A "C1'" 1
1369
+ ATOM 244 N N1 . U A 1 12 ? -2.269 5.586 29.065 1.00 60.58 ? 12 U A N1 1
1370
+ ATOM 245 C C2 . U A 1 12 ? -3.648 5.480 28.905 1.00 58.15 ? 12 U A C2 1
1371
+ ATOM 246 O O2 . U A 1 12 ? -4.352 6.424 28.587 1.00 58.06 ? 12 U A O2 1
1372
+ ATOM 247 N N3 . U A 1 12 ? -4.163 4.231 29.128 1.00 55.26 ? 12 U A N3 1
1373
+ ATOM 248 C C4 . U A 1 12 ? -3.469 3.100 29.480 1.00 55.10 ? 12 U A C4 1
1374
+ ATOM 249 O O4 . U A 1 12 ? -4.077 2.040 29.606 1.00 54.35 ? 12 U A O4 1
1375
+ ATOM 250 C C5 . U A 1 12 ? -2.044 3.286 29.628 1.00 56.07 ? 12 U A C5 1
1376
+ ATOM 251 C C6 . U A 1 12 ? -1.509 4.495 29.419 1.00 57.92 ? 12 U A C6 1
1377
+ ATOM 252 P P . A A 1 13 ? -0.927 8.406 33.313 1.00 72.55 ? 13 A A P 1
1378
+ ATOM 253 O OP1 . A A 1 13 ? -0.368 9.531 34.104 1.00 73.29 ? 13 A A OP1 1
1379
+ ATOM 254 O OP2 . A A 1 13 ? -0.704 7.005 33.763 1.00 71.92 ? 13 A A OP2 1
1380
+ ATOM 255 O "O5'" . A A 1 13 ? -2.493 8.659 33.178 1.00 71.53 ? 13 A A "O5'" 1
1381
+ ATOM 256 C "C5'" . A A 1 13 ? -2.988 9.930 32.762 1.00 70.39 ? 13 A A "C5'" 1
1382
+ ATOM 257 C "C4'" . A A 1 13 ? -4.498 9.903 32.692 1.00 70.57 ? 13 A A "C4'" 1
1383
+ ATOM 258 O "O4'" . A A 1 13 ? -4.931 9.005 31.631 1.00 69.26 ? 13 A A "O4'" 1
1384
+ ATOM 259 C "C3'" . A A 1 13 ? -5.193 9.358 33.928 1.00 70.16 ? 13 A A "C3'" 1
1385
+ ATOM 260 O "O3'" . A A 1 13 ? -5.215 10.289 35.022 1.00 71.92 ? 13 A A "O3'" 1
1386
+ ATOM 261 C "C2'" . A A 1 13 ? -6.551 8.960 33.369 1.00 69.30 ? 13 A A "C2'" 1
1387
+ ATOM 262 O "O2'" . A A 1 13 ? -7.390 10.083 33.175 1.00 70.03 ? 13 A A "O2'" 1
1388
+ ATOM 263 C "C1'" . A A 1 13 ? -6.150 8.382 32.008 1.00 67.61 ? 13 A A "C1'" 1
1389
+ ATOM 264 N N9 . A A 1 13 ? -5.924 6.941 32.042 1.00 64.29 ? 13 A A N9 1
1390
+ ATOM 265 C C8 . A A 1 13 ? -4.725 6.287 32.194 1.00 63.12 ? 13 A A C8 1
1391
+ ATOM 266 N N7 . A A 1 13 ? -4.829 4.981 32.181 1.00 61.31 ? 13 A A N7 1
1392
+ ATOM 267 C C5 . A A 1 13 ? -6.189 4.755 32.003 1.00 60.39 ? 13 A A C5 1
1393
+ ATOM 268 C C6 . A A 1 13 ? -6.949 3.578 31.898 1.00 58.14 ? 13 A A C6 1
1394
+ ATOM 269 N N6 . A A 1 13 ? -6.427 2.350 31.945 1.00 55.80 ? 13 A A N6 1
1395
+ ATOM 270 N N1 . A A 1 13 ? -8.285 3.706 31.738 1.00 58.29 ? 13 A A N1 1
1396
+ ATOM 271 C C2 . A A 1 13 ? -8.809 4.934 31.680 1.00 58.21 ? 13 A A C2 1
1397
+ ATOM 272 N N3 . A A 1 13 ? -8.202 6.114 31.759 1.00 60.49 ? 13 A A N3 1
1398
+ ATOM 273 C C4 . A A 1 13 ? -6.876 5.955 31.923 1.00 61.90 ? 13 A A C4 1
1399
+ ATOM 274 O "O5'" . U B 1 1 ? -14.101 -2.135 28.911 1.00 74.32 ? 1 U B "O5'" 1
1400
+ ATOM 275 C "C5'" . U B 1 1 ? -15.378 -1.541 29.114 1.00 72.96 ? 1 U B "C5'" 1
1401
+ ATOM 276 C "C4'" . U B 1 1 ? -15.314 -0.066 29.433 1.00 72.52 ? 1 U B "C4'" 1
1402
+ ATOM 277 O "O4'" . U B 1 1 ? -14.582 0.131 30.671 1.00 71.65 ? 1 U B "O4'" 1
1403
+ ATOM 278 C "C3'" . U B 1 1 ? -14.576 0.809 28.437 1.00 71.12 ? 1 U B "C3'" 1
1404
+ ATOM 279 O "O3'" . U B 1 1 ? -15.396 1.163 27.334 1.00 73.11 ? 1 U B "O3'" 1
1405
+ ATOM 280 C "C2'" . U B 1 1 ? -14.246 2.022 29.290 1.00 70.66 ? 1 U B "C2'" 1
1406
+ ATOM 281 O "O2'" . U B 1 1 ? -15.360 2.863 29.499 1.00 68.10 ? 1 U B "O2'" 1
1407
+ ATOM 282 C "C1'" . U B 1 1 ? -13.864 1.355 30.611 1.00 70.30 ? 1 U B "C1'" 1
1408
+ ATOM 283 N N1 . U B 1 1 ? -12.425 1.052 30.704 1.00 69.27 ? 1 U B N1 1
1409
+ ATOM 284 C C2 . U B 1 1 ? -11.550 2.109 30.912 1.00 68.51 ? 1 U B C2 1
1410
+ ATOM 285 O O2 . U B 1 1 ? -11.920 3.269 31.020 1.00 69.10 ? 1 U B O2 1
1411
+ ATOM 286 N N3 . U B 1 1 ? -10.224 1.756 30.987 1.00 67.67 ? 1 U B N3 1
1412
+ ATOM 287 C C4 . U B 1 1 ? -9.696 0.486 30.877 1.00 68.32 ? 1 U B C4 1
1413
+ ATOM 288 O O4 . U B 1 1 ? -8.476 0.328 30.951 1.00 68.78 ? 1 U B O4 1
1414
+ ATOM 289 C C5 . U B 1 1 ? -10.665 -0.549 30.664 1.00 68.78 ? 1 U B C5 1
1415
+ ATOM 290 C C6 . U B 1 1 ? -11.962 -0.238 30.587 1.00 68.41 ? 1 U B C6 1
1416
+ ATOM 291 P P . A B 1 2 ? -14.737 1.352 25.881 1.00 73.53 ? 2 A B P 1
1417
+ ATOM 292 O OP1 . A B 1 2 ? -15.816 1.481 24.875 1.00 74.18 ? 2 A B OP1 1
1418
+ ATOM 293 O OP2 . A B 1 2 ? -13.706 0.291 25.716 1.00 74.25 ? 2 A B OP2 1
1419
+ ATOM 294 O "O5'" . A B 1 2 ? -14.033 2.770 25.974 1.00 70.85 ? 2 A B "O5'" 1
1420
+ ATOM 295 C "C5'" . A B 1 2 ? -14.799 3.924 26.254 1.00 70.21 ? 2 A B "C5'" 1
1421
+ ATOM 296 C "C4'" . A B 1 2 ? -13.889 5.094 26.488 1.00 69.55 ? 2 A B "C4'" 1
1422
+ ATOM 297 O "O4'" . A B 1 2 ? -13.148 4.878 27.717 1.00 70.23 ? 2 A B "O4'" 1
1423
+ ATOM 298 C "C3'" . A B 1 2 ? -12.818 5.264 25.431 1.00 69.27 ? 2 A B "C3'" 1
1424
+ ATOM 299 O "O3'" . A B 1 2 ? -13.310 5.980 24.311 1.00 67.22 ? 2 A B "O3'" 1
1425
+ ATOM 300 C "C2'" . A B 1 2 ? -11.749 6.035 26.193 1.00 68.96 ? 2 A B "C2'" 1
1426
+ ATOM 301 O "O2'" . A B 1 2 ? -12.060 7.403 26.346 1.00 71.09 ? 2 A B "O2'" 1
1427
+ ATOM 302 C "C1'" . A B 1 2 ? -11.821 5.360 27.562 1.00 69.15 ? 2 A B "C1'" 1
1428
+ ATOM 303 N N9 . A B 1 2 ? -10.901 4.228 27.705 1.00 66.87 ? 2 A B N9 1
1429
+ ATOM 304 C C8 . A B 1 2 ? -11.199 2.890 27.616 1.00 65.58 ? 2 A B C8 1
1430
+ ATOM 305 N N7 . A B 1 2 ? -10.170 2.106 27.812 1.00 64.93 ? 2 A B N7 1
1431
+ ATOM 306 C C5 . A B 1 2 ? -9.119 2.987 28.044 1.00 64.20 ? 2 A B C5 1
1432
+ ATOM 307 C C6 . A B 1 2 ? -7.755 2.783 28.331 1.00 62.86 ? 2 A B C6 1
1433
+ ATOM 308 N N6 . A B 1 2 ? -7.194 1.578 28.446 1.00 61.37 ? 2 A B N6 1
1434
+ ATOM 309 N N1 . A B 1 2 ? -6.982 3.872 28.501 1.00 61.64 ? 2 A B N1 1
1435
+ ATOM 310 C C2 . A B 1 2 ? -7.543 5.081 28.397 1.00 61.51 ? 2 A B C2 1
1436
+ ATOM 311 N N3 . A B 1 2 ? -8.806 5.404 28.140 1.00 63.10 ? 2 A B N3 1
1437
+ ATOM 312 C C4 . A B 1 2 ? -9.554 4.297 27.971 1.00 64.07 ? 2 A B C4 1
1438
+ ATOM 313 P P . C B 1 3 ? -12.740 5.644 22.852 1.00 68.19 ? 3 C B P 1
1439
+ ATOM 314 O OP1 . C B 1 3 ? -13.679 6.194 21.839 1.00 70.01 ? 3 C B OP1 1
1440
+ ATOM 315 O OP2 . C B 1 3 ? -12.399 4.200 22.813 1.00 68.51 ? 3 C B OP2 1
1441
+ ATOM 316 O "O5'" . C B 1 3 ? -11.400 6.503 22.778 1.00 64.76 ? 3 C B "O5'" 1
1442
+ ATOM 317 C "C5'" . C B 1 3 ? -11.425 7.903 23.024 1.00 60.63 ? 3 C B "C5'" 1
1443
+ ATOM 318 C "C4'" . C B 1 3 ? -10.038 8.409 23.352 1.00 59.06 ? 3 C B "C4'" 1
1444
+ ATOM 319 O "O4'" . C B 1 3 ? -9.578 7.810 24.596 1.00 59.26 ? 3 C B "O4'" 1
1445
+ ATOM 320 C "C3'" . C B 1 3 ? -8.941 8.066 22.355 1.00 57.54 ? 3 C B "C3'" 1
1446
+ ATOM 321 O "O3'" . C B 1 3 ? -8.916 9.016 21.303 1.00 55.41 ? 3 C B "O3'" 1
1447
+ ATOM 322 C "C2'" . C B 1 3 ? -7.700 8.212 23.216 1.00 56.77 ? 3 C B "C2'" 1
1448
+ ATOM 323 O "O2'" . C B 1 3 ? -7.410 9.582 23.419 1.00 56.12 ? 3 C B "O2'" 1
1449
+ ATOM 324 C "C1'" . C B 1 3 ? -8.178 7.594 24.529 1.00 56.62 ? 3 C B "C1'" 1
1450
+ ATOM 325 N N1 . C B 1 3 ? -7.938 6.146 24.618 1.00 55.52 ? 3 C B N1 1
1451
+ ATOM 326 C C2 . C B 1 3 ? -6.636 5.683 24.902 1.00 54.07 ? 3 C B C2 1
1452
+ ATOM 327 O O2 . C B 1 3 ? -5.719 6.507 25.026 1.00 53.07 ? 3 C B O2 1
1453
+ ATOM 328 N N3 . C B 1 3 ? -6.420 4.358 25.023 1.00 52.44 ? 3 C B N3 1
1454
+ ATOM 329 C C4 . C B 1 3 ? -7.428 3.501 24.860 1.00 53.71 ? 3 C B C4 1
1455
+ ATOM 330 N N4 . C B 1 3 ? -7.172 2.199 25.002 1.00 52.53 ? 3 C B N4 1
1456
+ ATOM 331 C C5 . C B 1 3 ? -8.755 3.942 24.545 1.00 54.27 ? 3 C B C5 1
1457
+ ATOM 332 C C6 . C B 1 3 ? -8.960 5.259 24.437 1.00 54.85 ? 3 C B C6 1
1458
+ ATOM 333 P P . U B 1 4 ? -8.641 8.529 19.802 1.00 56.58 ? 4 U B P 1
1459
+ ATOM 334 O OP1 . U B 1 4 ? -9.085 9.619 18.901 1.00 58.49 ? 4 U B OP1 1
1460
+ ATOM 335 O OP2 . U B 1 4 ? -9.171 7.153 19.620 1.00 55.95 ? 4 U B OP2 1
1461
+ ATOM 336 O "O5'" . U B 1 4 ? -7.054 8.453 19.698 1.00 55.51 ? 4 U B "O5'" 1
1462
+ ATOM 337 C "C5'" . U B 1 4 ? -6.250 9.620 19.881 1.00 51.90 ? 4 U B "C5'" 1
1463
+ ATOM 338 C "C4'" . U B 1 4 ? -4.805 9.220 20.001 1.00 51.58 ? 4 U B "C4'" 1
1464
+ ATOM 339 O "O4'" . U B 1 4 ? -4.611 8.476 21.232 1.00 52.07 ? 4 U B "O4'" 1
1465
+ ATOM 340 C "C3'" . U B 1 4 ? -4.346 8.241 18.939 1.00 51.71 ? 4 U B "C3'" 1
1466
+ ATOM 341 O "O3'" . U B 1 4 ? -3.960 8.939 17.780 1.00 52.62 ? 4 U B "O3'" 1
1467
+ ATOM 342 C "C2'" . U B 1 4 ? -3.124 7.620 19.587 1.00 51.97 ? 4 U B "C2'" 1
1468
+ ATOM 343 O "O2'" . U B 1 4 ? -2.003 8.485 19.461 1.00 55.10 ? 4 U B "O2'" 1
1469
+ ATOM 344 C "C1'" . U B 1 4 ? -3.577 7.527 21.044 1.00 50.41 ? 4 U B "C1'" 1
1470
+ ATOM 345 N N1 . U B 1 4 ? -4.098 6.201 21.390 1.00 48.96 ? 4 U B N1 1
1471
+ ATOM 346 C C2 . U B 1 4 ? -3.174 5.211 21.668 1.00 46.70 ? 4 U B C2 1
1472
+ ATOM 347 O O2 . U B 1 4 ? -1.976 5.398 21.627 1.00 45.51 ? 4 U B O2 1
1473
+ ATOM 348 N N3 . U B 1 4 ? -3.708 3.993 21.985 1.00 45.64 ? 4 U B N3 1
1474
+ ATOM 349 C C4 . U B 1 4 ? -5.048 3.664 22.051 1.00 45.06 ? 4 U B C4 1
1475
+ ATOM 350 O O4 . U B 1 4 ? -5.372 2.518 22.368 1.00 43.91 ? 4 U B O4 1
1476
+ ATOM 351 C C5 . U B 1 4 ? -5.941 4.735 21.748 1.00 44.85 ? 4 U B C5 1
1477
+ ATOM 352 C C6 . U B 1 4 ? -5.451 5.939 21.435 1.00 48.17 ? 4 U B C6 1
1478
+ ATOM 353 P P . A B 1 5 ? -4.177 8.270 16.353 1.00 51.49 ? 5 A B P 1
1479
+ ATOM 354 O OP1 . A B 1 5 ? -5.649 8.153 16.245 1.00 56.04 ? 5 A B OP1 1
1480
+ ATOM 355 O OP2 . A B 1 5 ? -3.338 7.056 16.191 1.00 52.03 ? 5 A B OP2 1
1481
+ ATOM 356 O "O5'" . A B 1 5 ? -3.727 9.430 15.372 1.00 54.44 ? 5 A B "O5'" 1
1482
+ ATOM 357 C "C5'" . A B 1 5 ? -2.680 9.274 14.434 1.00 51.70 ? 5 A B "C5'" 1
1483
+ ATOM 358 C "C4'" . A B 1 5 ? -2.004 10.605 14.233 1.00 50.14 ? 5 A B "C4'" 1
1484
+ ATOM 359 O "O4'" . A B 1 5 ? -3.038 11.612 14.161 1.00 48.69 ? 5 A B "O4'" 1
1485
+ ATOM 360 C "C3'" . A B 1 5 ? -1.153 11.073 15.409 1.00 50.28 ? 5 A B "C3'" 1
1486
+ ATOM 361 O "O3'" . A B 1 5 ? 0.179 10.625 15.219 1.00 50.00 ? 5 A B "O3'" 1
1487
+ ATOM 362 C "C2'" . A B 1 5 ? -1.148 12.578 15.244 1.00 47.77 ? 5 A B "C2'" 1
1488
+ ATOM 363 O "O2'" . A B 1 5 ? -0.139 12.911 14.316 1.00 47.82 ? 5 A B "O2'" 1
1489
+ ATOM 364 C "C1'" . A B 1 5 ? -2.553 12.835 14.677 1.00 47.45 ? 5 A B "C1'" 1
1490
+ ATOM 365 N N9 . A B 1 5 ? -3.511 13.335 15.663 1.00 46.86 ? 5 A B N9 1
1491
+ ATOM 366 C C8 . A B 1 5 ? -4.272 12.631 16.568 1.00 44.14 ? 5 A B C8 1
1492
+ ATOM 367 N N7 . A B 1 5 ? -5.019 13.391 17.330 1.00 43.60 ? 5 A B N7 1
1493
+ ATOM 368 C C5 . A B 1 5 ? -4.749 14.679 16.884 1.00 44.88 ? 5 A B C5 1
1494
+ ATOM 369 C C6 . A B 1 5 ? -5.233 15.936 17.271 1.00 44.54 ? 5 A B C6 1
1495
+ ATOM 370 N N6 . A B 1 5 ? -6.127 16.121 18.232 1.00 46.64 ? 5 A B N6 1
1496
+ ATOM 371 N N1 . A B 1 5 ? -4.755 17.023 16.626 1.00 45.42 ? 5 A B N1 1
1497
+ ATOM 372 C C2 . A B 1 5 ? -3.846 16.842 15.660 1.00 44.50 ? 5 A B C2 1
1498
+ ATOM 373 N N3 . A B 1 5 ? -3.313 15.712 15.210 1.00 45.01 ? 5 A B N3 1
1499
+ ATOM 374 C C4 . A B 1 5 ? -3.816 14.657 15.867 1.00 44.69 ? 5 A B C4 1
1500
+ ATOM 375 P P . A B 1 6 ? 0.824 9.603 16.266 1.00 50.68 ? 6 A B P 1
1501
+ ATOM 376 O OP1 . A B 1 6 ? 0.661 10.178 17.620 1.00 47.93 ? 6 A B OP1 1
1502
+ ATOM 377 O OP2 . A B 1 6 ? 2.191 9.304 15.733 1.00 52.88 ? 6 A B OP2 1
1503
+ ATOM 378 O "O5'" . A B 1 6 ? -0.009 8.260 16.081 1.00 53.47 ? 6 A B "O5'" 1
1504
+ ATOM 379 C "C5'" . A B 1 6 ? -0.259 7.406 17.169 1.00 50.28 ? 6 A B "C5'" 1
1505
+ ATOM 380 C "C4'" . A B 1 6 ? 0.729 6.257 17.194 1.00 48.29 ? 6 A B "C4'" 1
1506
+ ATOM 381 O "O4'" . A B 1 6 ? 0.543 5.623 18.475 1.00 45.47 ? 6 A B "O4'" 1
1507
+ ATOM 382 C "C3'" . A B 1 6 ? 0.596 5.123 16.185 1.00 49.69 ? 6 A B "C3'" 1
1508
+ ATOM 383 O "O3'" . A B 1 6 ? 1.356 5.297 14.992 1.00 52.27 ? 6 A B "O3'" 1
1509
+ ATOM 384 C "C2'" . A B 1 6 ? 1.212 3.963 16.938 1.00 49.74 ? 6 A B "C2'" 1
1510
+ ATOM 385 O "O2'" . A B 1 6 ? 2.627 4.008 16.889 1.00 49.35 ? 6 A B "O2'" 1
1511
+ ATOM 386 C "C1'" . A B 1 6 ? 0.723 4.230 18.358 1.00 47.98 ? 6 A B "C1'" 1
1512
+ ATOM 387 N N9 . A B 1 6 ? -0.556 3.600 18.666 1.00 46.58 ? 6 A B N9 1
1513
+ ATOM 388 C C8 . A B 1 6 ? -1.797 4.191 18.594 1.00 46.27 ? 6 A B C8 1
1514
+ ATOM 389 N N7 . A B 1 6 ? -2.780 3.396 18.935 1.00 45.52 ? 6 A B N7 1
1515
+ ATOM 390 C C5 . A B 1 6 ? -2.151 2.204 19.249 1.00 44.04 ? 6 A B C5 1
1516
+ ATOM 391 C C6 . A B 1 6 ? -2.642 0.981 19.677 1.00 44.33 ? 6 A B C6 1
1517
+ ATOM 392 N N6 . A B 1 6 ? -3.942 0.724 19.841 1.00 43.92 ? 6 A B N6 1
1518
+ ATOM 393 N N1 . A B 1 6 ? -1.744 -0.008 19.929 1.00 47.34 ? 6 A B N1 1
1519
+ ATOM 394 C C2 . A B 1 6 ? -0.445 0.247 19.725 1.00 45.23 ? 6 A B C2 1
1520
+ ATOM 395 N N3 . A B 1 6 ? 0.134 1.364 19.302 1.00 42.16 ? 6 A B N3 1
1521
+ ATOM 396 C C4 . A B 1 6 ? -0.780 2.315 19.087 1.00 44.85 ? 6 A B C4 1
1522
+ ATOM 397 P P . C B 1 7 ? 1.008 4.416 13.690 1.00 53.57 ? 7 C B P 1
1523
+ ATOM 398 O OP1 . C B 1 7 ? 1.965 4.739 12.609 1.00 52.32 ? 7 C B OP1 1
1524
+ ATOM 399 O OP2 . C B 1 7 ? -0.456 4.612 13.458 1.00 55.41 ? 7 C B OP2 1
1525
+ ATOM 400 O "O5'" . C B 1 7 ? 1.216 2.897 14.122 1.00 55.29 ? 7 C B "O5'" 1
1526
+ ATOM 401 C "C5'" . C B 1 7 ? 2.468 2.248 13.928 1.00 53.73 ? 7 C B "C5'" 1
1527
+ ATOM 402 C "C4'" . C B 1 7 ? 2.476 0.885 14.583 1.00 53.39 ? 7 C B "C4'" 1
1528
+ ATOM 403 O "O4'" . C B 1 7 ? 1.725 0.952 15.823 1.00 53.47 ? 7 C B "O4'" 1
1529
+ ATOM 404 C "C3'" . C B 1 7 ? 1.785 -0.254 13.867 1.00 53.63 ? 7 C B "C3'" 1
1530
+ ATOM 405 O "O3'" . C B 1 7 ? 2.566 -0.787 12.820 1.00 52.48 ? 7 C B "O3'" 1
1531
+ ATOM 406 C "C2'" . C B 1 7 ? 1.620 -1.256 14.994 1.00 53.20 ? 7 C B "C2'" 1
1532
+ ATOM 407 O "O2'" . C B 1 7 ? 2.831 -1.899 15.342 1.00 55.98 ? 7 C B "O2'" 1
1533
+ ATOM 408 C "C1'" . C B 1 7 ? 1.203 -0.334 16.133 1.00 52.82 ? 7 C B "C1'" 1
1534
+ ATOM 409 N N1 . C B 1 7 ? -0.258 -0.221 16.257 1.00 51.34 ? 7 C B N1 1
1535
+ ATOM 410 C C2 . C B 1 7 ? -0.974 -1.299 16.766 1.00 51.45 ? 7 C B C2 1
1536
+ ATOM 411 O O2 . C B 1 7 ? -0.362 -2.342 17.071 1.00 47.76 ? 7 C B O2 1
1537
+ ATOM 412 N N3 . C B 1 7 ? -2.320 -1.190 16.911 1.00 50.22 ? 7 C B N3 1
1538
+ ATOM 413 C C4 . C B 1 7 ? -2.938 -0.063 16.557 1.00 51.04 ? 7 C B C4 1
1539
+ ATOM 414 N N4 . C B 1 7 ? -4.253 0.003 16.728 1.00 52.73 ? 7 C B N4 1
1540
+ ATOM 415 C C5 . C B 1 7 ? -2.232 1.047 16.018 1.00 50.11 ? 7 C B C5 1
1541
+ ATOM 416 C C6 . C B 1 7 ? -0.906 0.928 15.885 1.00 50.34 ? 7 C B C6 1
1542
+ ATOM 417 P P . G B 1 8 ? 1.838 -1.327 11.501 1.00 52.99 ? 8 G B P 1
1543
+ ATOM 418 O OP1 . G B 1 8 ? 2.757 -1.314 10.341 1.00 51.99 ? 8 G B OP1 1
1544
+ ATOM 419 O OP2 . G B 1 8 ? 0.555 -0.576 11.424 1.00 53.29 ? 8 G B OP2 1
1545
+ ATOM 420 O "O5'" . G B 1 8 ? 1.476 -2.824 11.876 1.00 51.86 ? 8 G B "O5'" 1
1546
+ ATOM 421 C "C5'" . G B 1 8 ? 2.486 -3.786 12.088 1.00 49.91 ? 8 G B "C5'" 1
1547
+ ATOM 422 C "C4'" . G B 1 8 ? 1.889 -5.052 12.636 1.00 47.98 ? 8 G B "C4'" 1
1548
+ ATOM 423 O "O4'" . G B 1 8 ? 1.192 -4.743 13.866 1.00 45.97 ? 8 G B "O4'" 1
1549
+ ATOM 424 C "C3'" . G B 1 8 ? 0.804 -5.697 11.803 1.00 49.12 ? 8 G B "C3'" 1
1550
+ ATOM 425 O "O3'" . G B 1 8 ? 1.322 -6.477 10.744 1.00 53.65 ? 8 G B "O3'" 1
1551
+ ATOM 426 C "C2'" . G B 1 8 ? 0.131 -6.581 12.830 1.00 47.07 ? 8 G B "C2'" 1
1552
+ ATOM 427 O "O2'" . G B 1 8 ? 0.850 -7.766 13.089 1.00 49.07 ? 8 G B "O2'" 1
1553
+ ATOM 428 C "C1'" . G B 1 8 ? 0.122 -5.662 14.046 1.00 44.80 ? 8 G B "C1'" 1
1554
+ ATOM 429 N N9 . G B 1 8 ? -1.126 -4.901 14.145 1.00 44.18 ? 8 G B N9 1
1555
+ ATOM 430 C C8 . G B 1 8 ? -1.318 -3.557 13.885 1.00 40.28 ? 8 G B C8 1
1556
+ ATOM 431 N N7 . G B 1 8 ? -2.527 -3.156 14.158 1.00 42.33 ? 8 G B N7 1
1557
+ ATOM 432 C C5 . G B 1 8 ? -3.183 -4.310 14.580 1.00 41.53 ? 8 G B C5 1
1558
+ ATOM 433 C C6 . G B 1 8 ? -4.528 -4.505 15.002 1.00 42.93 ? 8 G B C6 1
1559
+ ATOM 434 O O6 . G B 1 8 ? -5.441 -3.680 15.051 1.00 40.86 ? 8 G B O6 1
1560
+ ATOM 435 N N1 . G B 1 8 ? -4.759 -5.821 15.384 1.00 39.93 ? 8 G B N1 1
1561
+ ATOM 436 C C2 . G B 1 8 ? -3.831 -6.831 15.330 1.00 42.26 ? 8 G B C2 1
1562
+ ATOM 437 N N2 . G B 1 8 ? -4.228 -8.029 15.742 1.00 41.27 ? 8 G B N2 1
1563
+ ATOM 438 N N3 . G B 1 8 ? -2.593 -6.670 14.903 1.00 40.82 ? 8 G B N3 1
1564
+ ATOM 439 C C4 . G B 1 8 ? -2.336 -5.391 14.562 1.00 41.06 ? 8 G B C4 1
1565
+ ATOM 440 P P . U B 1 9 ? 0.559 -6.492 9.332 1.00 56.45 ? 9 U B P 1
1566
+ ATOM 441 O OP1 . U B 1 9 ? 1.434 -7.151 8.334 1.00 58.21 ? 9 U B OP1 1
1567
+ ATOM 442 O OP2 . U B 1 9 ? 0.095 -5.107 9.101 1.00 59.30 ? 9 U B OP2 1
1568
+ ATOM 443 O "O5'" . U B 1 9 ? -0.698 -7.445 9.592 1.00 56.98 ? 9 U B "O5'" 1
1569
+ ATOM 444 C "C5'" . U B 1 9 ? -0.508 -8.838 9.816 1.00 56.04 ? 9 U B "C5'" 1
1570
+ ATOM 445 C "C4'" . U B 1 9 ? -1.767 -9.484 10.352 1.00 57.83 ? 9 U B "C4'" 1
1571
+ ATOM 446 O "O4'" . U B 1 9 ? -2.193 -8.821 11.572 1.00 55.44 ? 9 U B "O4'" 1
1572
+ ATOM 447 C "C3'" . U B 1 9 ? -3.009 -9.407 9.481 1.00 59.16 ? 9 U B "C3'" 1
1573
+ ATOM 448 O "O3'" . U B 1 9 ? -2.990 -10.361 8.435 1.00 61.96 ? 9 U B "O3'" 1
1574
+ ATOM 449 C "C2'" . U B 1 9 ? -4.098 -9.731 10.487 1.00 58.11 ? 9 U B "C2'" 1
1575
+ ATOM 450 O "O2'" . U B 1 9 ? -4.122 -11.113 10.792 1.00 57.20 ? 9 U B "O2'" 1
1576
+ ATOM 451 C "C1'" . U B 1 9 ? -3.610 -8.934 11.697 1.00 56.92 ? 9 U B "C1'" 1
1577
+ ATOM 452 N N1 . U B 1 9 ? -4.184 -7.581 11.721 1.00 55.07 ? 9 U B N1 1
1578
+ ATOM 453 C C2 . U B 1 9 ? -5.404 -7.426 12.330 1.00 54.32 ? 9 U B C2 1
1579
+ ATOM 454 O O2 . U B 1 9 ? -6.020 -8.360 12.809 1.00 55.05 ? 9 U B O2 1
1580
+ ATOM 455 N N3 . U B 1 9 ? -5.875 -6.142 12.356 1.00 53.07 ? 9 U B N3 1
1581
+ ATOM 456 C C4 . U B 1 9 ? -5.265 -5.025 11.833 1.00 53.24 ? 9 U B C4 1
1582
+ ATOM 457 O O4 . U B 1 9 ? -5.770 -3.921 12.017 1.00 52.39 ? 9 U B O4 1
1583
+ ATOM 458 C C5 . U B 1 9 ? -4.013 -5.274 11.196 1.00 51.92 ? 9 U B C5 1
1584
+ ATOM 459 C C6 . U B 1 9 ? -3.528 -6.513 11.166 1.00 53.48 ? 9 U B C6 1
1585
+ ATOM 460 P P . A B 1 10 ? -3.766 -10.036 7.073 1.00 64.23 ? 10 A B P 1
1586
+ ATOM 461 O OP1 . A B 1 10 ? -3.498 -11.126 6.100 1.00 66.45 ? 10 A B OP1 1
1587
+ ATOM 462 O OP2 . A B 1 10 ? -3.484 -8.629 6.708 1.00 63.83 ? 10 A B OP2 1
1588
+ ATOM 463 O "O5'" . A B 1 10 ? -5.293 -10.120 7.504 1.00 65.90 ? 10 A B "O5'" 1
1589
+ ATOM 464 C "C5'" . A B 1 10 ? -5.831 -11.331 8.012 1.00 66.88 ? 10 A B "C5'" 1
1590
+ ATOM 465 C "C4'" . A B 1 10 ? -7.262 -11.118 8.416 1.00 68.61 ? 10 A B "C4'" 1
1591
+ ATOM 466 O "O4'" . A B 1 10 ? -7.316 -10.158 9.504 1.00 67.66 ? 10 A B "O4'" 1
1592
+ ATOM 467 C "C3'" . A B 1 10 ? -8.140 -10.478 7.351 1.00 68.63 ? 10 A B "C3'" 1
1593
+ ATOM 468 O "O3'" . A B 1 10 ? -8.597 -11.444 6.417 1.00 72.05 ? 10 A B "O3'" 1
1594
+ ATOM 469 C "C2'" . A B 1 10 ? -9.283 -9.932 8.189 1.00 68.13 ? 10 A B "C2'" 1
1595
+ ATOM 470 O "O2'" . A B 1 10 ? -10.193 -10.947 8.569 1.00 67.47 ? 10 A B "O2'" 1
1596
+ ATOM 471 C "C1'" . A B 1 10 ? -8.528 -9.425 9.420 1.00 67.16 ? 10 A B "C1'" 1
1597
+ ATOM 472 N N9 . A B 1 10 ? -8.213 -8.006 9.302 1.00 64.19 ? 10 A B N9 1
1598
+ ATOM 473 C C8 . A B 1 10 ? -7.084 -7.399 8.814 1.00 62.71 ? 10 A B C8 1
1599
+ ATOM 474 N N7 . A B 1 10 ? -7.149 -6.088 8.821 1.00 62.08 ? 10 A B N7 1
1600
+ ATOM 475 C C5 . A B 1 10 ? -8.403 -5.819 9.357 1.00 61.02 ? 10 A B C5 1
1601
+ ATOM 476 C C6 . A B 1 10 ? -9.078 -4.624 9.633 1.00 60.40 ? 10 A B C6 1
1602
+ ATOM 477 N N6 . A B 1 10 ? -8.576 -3.413 9.391 1.00 58.57 ? 10 A B N6 1
1603
+ ATOM 478 N N1 . A B 1 10 ? -10.311 -4.712 10.174 1.00 61.18 ? 10 A B N1 1
1604
+ ATOM 479 C C2 . A B 1 10 ? -10.823 -5.924 10.413 1.00 61.33 ? 10 A B C2 1
1605
+ ATOM 480 N N3 . A B 1 10 ? -10.288 -7.117 10.196 1.00 61.05 ? 10 A B N3 1
1606
+ ATOM 481 C C4 . A B 1 10 ? -9.063 -6.992 9.662 1.00 61.75 ? 10 A B C4 1
1607
+ ATOM 482 P P . G B 1 11 ? -8.929 -10.997 4.910 1.00 73.18 ? 11 G B P 1
1608
+ ATOM 483 O OP1 . G B 1 11 ? -9.119 -12.247 4.134 1.00 75.15 ? 11 G B OP1 1
1609
+ ATOM 484 O OP2 . G B 1 11 ? -7.916 -10.007 4.471 1.00 74.18 ? 11 G B OP2 1
1610
+ ATOM 485 O "O5'" . G B 1 11 ? -10.321 -10.231 5.033 1.00 73.94 ? 11 G B "O5'" 1
1611
+ ATOM 486 C "C5'" . G B 1 11 ? -11.476 -10.908 5.515 1.00 73.66 ? 11 G B "C5'" 1
1612
+ ATOM 487 C "C4'" . G B 1 11 ? -12.577 -9.922 5.827 1.00 74.60 ? 11 G B "C4'" 1
1613
+ ATOM 488 O "O4'" . G B 1 11 ? -12.199 -9.087 6.956 1.00 74.09 ? 11 G B "O4'" 1
1614
+ ATOM 489 C "C3'" . G B 1 11 ? -12.924 -8.923 4.737 1.00 75.10 ? 11 G B "C3'" 1
1615
+ ATOM 490 O "O3'" . G B 1 11 ? -13.767 -9.500 3.748 1.00 77.10 ? 11 G B "O3'" 1
1616
+ ATOM 491 C "C2'" . G B 1 11 ? -13.637 -7.843 5.539 1.00 74.10 ? 11 G B "C2'" 1
1617
+ ATOM 492 O "O2'" . G B 1 11 ? -14.965 -8.195 5.871 1.00 75.25 ? 11 G B "O2'" 1
1618
+ ATOM 493 C "C1'" . G B 1 11 ? -12.777 -7.797 6.807 1.00 72.85 ? 11 G B "C1'" 1
1619
+ ATOM 494 N N9 . G B 1 11 ? -11.703 -6.820 6.661 1.00 70.65 ? 11 G B N9 1
1620
+ ATOM 495 C C8 . G B 1 11 ? -10.427 -7.042 6.193 1.00 69.44 ? 11 G B C8 1
1621
+ ATOM 496 N N7 . G B 1 11 ? -9.715 -5.952 6.112 1.00 67.73 ? 11 G B N7 1
1622
+ ATOM 497 C C5 . G B 1 11 ? -10.564 -4.953 6.570 1.00 67.38 ? 11 G B C5 1
1623
+ ATOM 498 C C6 . G B 1 11 ? -10.352 -3.563 6.706 1.00 66.45 ? 11 G B C6 1
1624
+ ATOM 499 O O6 . G B 1 11 ? -9.336 -2.910 6.441 1.00 65.64 ? 11 G B O6 1
1625
+ ATOM 500 N N1 . G B 1 11 ? -11.480 -2.920 7.211 1.00 66.25 ? 11 G B N1 1
1626
+ ATOM 501 C C2 . G B 1 11 ? -12.659 -3.541 7.548 1.00 66.88 ? 11 G B C2 1
1627
+ ATOM 502 N N2 . G B 1 11 ? -13.627 -2.756 8.042 1.00 65.95 ? 11 G B N2 1
1628
+ ATOM 503 N N3 . G B 1 11 ? -12.870 -4.836 7.420 1.00 67.29 ? 11 G B N3 1
1629
+ ATOM 504 C C4 . G B 1 11 ? -11.789 -5.477 6.927 1.00 68.40 ? 11 G B C4 1
1630
+ ATOM 505 P P . U B 1 12 ? -13.678 -8.986 2.226 1.00 78.60 ? 12 U B P 1
1631
+ ATOM 506 O OP1 . U B 1 12 ? -14.444 -9.951 1.404 1.00 79.79 ? 12 U B OP1 1
1632
+ ATOM 507 O OP2 . U B 1 12 ? -12.261 -8.702 1.879 1.00 78.91 ? 12 U B OP2 1
1633
+ ATOM 508 O "O5'" . U B 1 12 ? -14.450 -7.594 2.250 1.00 77.98 ? 12 U B "O5'" 1
1634
+ ATOM 509 C "C5'" . U B 1 12 ? -15.759 -7.506 2.791 1.00 78.72 ? 12 U B "C5'" 1
1635
+ ATOM 510 C "C4'" . U B 1 12 ? -16.100 -6.073 3.113 1.00 80.18 ? 12 U B "C4'" 1
1636
+ ATOM 511 O "O4'" . U B 1 12 ? -15.226 -5.583 4.166 1.00 80.13 ? 12 U B "O4'" 1
1637
+ ATOM 512 C "C3'" . U B 1 12 ? -15.896 -5.062 2.000 1.00 80.95 ? 12 U B "C3'" 1
1638
+ ATOM 513 O "O3'" . U B 1 12 ? -16.971 -5.073 1.072 1.00 83.88 ? 12 U B "O3'" 1
1639
+ ATOM 514 C "C2'" . U B 1 12 ? -15.854 -3.762 2.787 1.00 80.32 ? 12 U B "C2'" 1
1640
+ ATOM 515 O "O2'" . U B 1 12 ? -17.138 -3.339 3.200 1.00 79.11 ? 12 U B "O2'" 1
1641
+ ATOM 516 C "C1'" . U B 1 12 ? -15.028 -4.185 4.005 1.00 78.78 ? 12 U B "C1'" 1
1642
+ ATOM 517 N N1 . U B 1 12 ? -13.599 -3.937 3.777 1.00 76.34 ? 12 U B N1 1
1643
+ ATOM 518 C C2 . U B 1 12 ? -13.131 -2.664 4.020 1.00 75.07 ? 12 U B C2 1
1644
+ ATOM 519 O O2 . U B 1 12 ? -13.845 -1.772 4.452 1.00 74.76 ? 12 U B O2 1
1645
+ ATOM 520 N N3 . U B 1 12 ? -11.802 -2.471 3.739 1.00 73.24 ? 12 U B N3 1
1646
+ ATOM 521 C C4 . U B 1 12 ? -10.912 -3.407 3.249 1.00 73.61 ? 12 U B C4 1
1647
+ ATOM 522 O O4 . U B 1 12 ? -9.776 -3.050 2.924 1.00 71.99 ? 12 U B O4 1
1648
+ ATOM 523 C C5 . U B 1 12 ? -11.469 -4.712 3.052 1.00 74.57 ? 12 U B C5 1
1649
+ ATOM 524 C C6 . U B 1 12 ? -12.762 -4.926 3.317 1.00 75.39 ? 12 U B C6 1
1650
+ ATOM 525 P P . A B 1 13 ? -16.709 -4.635 -0.453 1.00 85.92 ? 13 A B P 1
1651
+ ATOM 526 O OP1 . A B 1 13 ? -17.966 -4.861 -1.208 1.00 86.30 ? 13 A B OP1 1
1652
+ ATOM 527 O OP2 . A B 1 13 ? -15.450 -5.280 -0.919 1.00 84.63 ? 13 A B OP2 1
1653
+ ATOM 528 O "O5'" . A B 1 13 ? -16.461 -3.066 -0.358 1.00 83.81 ? 13 A B "O5'" 1
1654
+ ATOM 529 C "C5'" . A B 1 13 ? -17.495 -2.194 0.069 1.00 81.91 ? 13 A B "C5'" 1
1655
+ ATOM 530 C "C4'" . A B 1 13 ? -16.991 -0.775 0.113 1.00 82.03 ? 13 A B "C4'" 1
1656
+ ATOM 531 O "O4'" . A B 1 13 ? -16.000 -0.646 1.166 1.00 81.17 ? 13 A B "O4'" 1
1657
+ ATOM 532 C "C3'" . A B 1 13 ? -16.261 -0.297 -1.131 1.00 81.74 ? 13 A B "C3'" 1
1658
+ ATOM 533 O "O3'" . A B 1 13 ? -17.102 0.038 -2.238 1.00 83.50 ? 13 A B "O3'" 1
1659
+ ATOM 534 C "C2'" . A B 1 13 ? -15.449 0.865 -0.583 1.00 81.20 ? 13 A B "C2'" 1
1660
+ ATOM 535 O "O2'" . A B 1 13 ? -16.223 2.032 -0.397 1.00 80.70 ? 13 A B "O2'" 1
1661
+ ATOM 536 C "C1'" . A B 1 13 ? -15.019 0.306 0.777 1.00 79.85 ? 13 A B "C1'" 1
1662
+ ATOM 537 N N9 . A B 1 13 ? -13.723 -0.371 0.708 1.00 76.75 ? 13 A B N9 1
1663
+ ATOM 538 C C8 . A B 1 13 ? -13.466 -1.704 0.490 1.00 75.46 ? 13 A B C8 1
1664
+ ATOM 539 N N7 . A B 1 13 ? -12.192 -1.997 0.454 1.00 73.76 ? 13 A B N7 1
1665
+ ATOM 540 C C5 . A B 1 13 ? -11.565 -0.776 0.673 1.00 73.98 ? 13 A B C5 1
1666
+ ATOM 541 C C6 . A B 1 13 ? -10.213 -0.410 0.756 1.00 72.34 ? 13 A B C6 1
1667
+ ATOM 542 N N6 . A B 1 13 ? -9.206 -1.272 0.630 1.00 72.79 ? 13 A B N6 1
1668
+ ATOM 543 N N1 . A B 1 13 ? -9.927 0.888 0.975 1.00 71.40 ? 13 A B N1 1
1669
+ ATOM 544 C C2 . A B 1 13 ? -10.939 1.754 1.111 1.00 72.43 ? 13 A B C2 1
1670
+ ATOM 545 N N3 . A B 1 13 ? -12.247 1.532 1.061 1.00 73.45 ? 13 A B N3 1
1671
+ ATOM 546 C C4 . A B 1 13 ? -12.496 0.231 0.834 1.00 74.54 ? 13 A B C4 1
1672
+ HETATM 547 O O . HOH C 2 . ? -3.075 2.967 33.691 1.00 70.62 ? 25 HOH A O 1
1673
+ HETATM 548 O O . HOH C 2 . ? -8.740 -3.547 20.229 1.00 58.57 ? 26 HOH A O 1
1674
+ HETATM 549 O O . HOH C 2 . ? -5.140 -0.620 26.789 1.00 61.77 ? 27 HOH A O 1
1675
+ HETATM 550 O O . HOH C 2 . ? -2.603 -1.388 27.692 1.00 84.42 ? 28 HOH A O 1
1676
+ HETATM 551 O O . HOH C 2 . ? -2.625 -12.012 21.254 1.00 72.19 ? 29 HOH A O 1
1677
+ HETATM 552 O O . HOH C 2 . ? -14.640 -7.118 10.690 1.00 89.32 ? 34 HOH A O 1
1678
+ HETATM 553 O O . HOH C 2 . ? 2.910 2.498 21.781 1.00 60.16 ? 35 HOH A O 1
1679
+ HETATM 554 O O . HOH C 2 . ? -6.080 0.681 5.842 1.00 64.75 ? 36 HOH A O 1
1680
+ HETATM 555 O O . HOH C 2 . ? -7.740 3.606 8.889 1.00 66.28 ? 40 HOH A O 1
1681
+ HETATM 556 O O . HOH C 2 . ? -6.549 -2.171 22.344 1.00 74.02 ? 41 HOH A O 1
1682
+ HETATM 557 O O . HOH D 2 . ? -1.611 11.533 19.036 1.00 48.14 ? 21 HOH B O 1
1683
+ HETATM 558 O O . HOH D 2 . ? -5.610 12.929 20.398 1.00 60.17 ? 22 HOH B O 1
1684
+ HETATM 559 O O . HOH D 2 . ? -4.714 10.204 24.102 1.00 60.66 ? 23 HOH B O 1
1685
+ HETATM 560 O O . HOH D 2 . ? -5.988 2.290 15.280 1.00 82.38 ? 24 HOH B O 1
1686
+ HETATM 561 O O . HOH D 2 . ? -16.674 -4.100 8.585 1.00 74.25 ? 30 HOH B O 1
1687
+ HETATM 562 O O . HOH D 2 . ? -6.924 -6.150 5.306 1.00 68.63 ? 31 HOH B O 1
1688
+ HETATM 563 O O . HOH D 2 . ? -13.306 5.599 31.237 1.00 78.91 ? 32 HOH B O 1
1689
+ HETATM 564 O O . HOH D 2 . ? 5.391 -1.530 13.902 1.00 64.44 ? 33 HOH B O 1
1690
+ HETATM 565 O O . HOH D 2 . ? 0.563 6.293 21.909 1.00 60.13 ? 37 HOH B O 1
1691
+ HETATM 566 O O . HOH D 2 . ? -11.717 -6.860 -0.613 1.00 84.00 ? 38 HOH B O 1
1692
+ HETATM 567 O O . HOH D 2 . ? -9.202 4.404 20.568 1.00 67.69 ? 39 HOH B O 1
1693
+ HETATM 568 O O . HOH D 2 . ? -10.170 -3.801 -0.512 1.00 87.41 ? 42 HOH B O 1
1694
+ #
structures/1il2.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/2bcz.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/2e2h.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/3f30.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/3v7e.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/5eeu.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/5u4j.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/5wzi.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/6kwr.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/7ofw.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/7qxb.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/7t3k.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/7xsl.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/8g5o.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/8p4f.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/8r8p.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/8wf9.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/8wfx.cif ADDED
The diff for this file is too large to render. See raw diff
 
structures/9jm0.cif ADDED
The diff for this file is too large to render. See raw diff