Add files using upload-large-folder tool
Browse files- structures/1c9s.cif +0 -0
- structures/1mms.cif +0 -0
- structures/1sjf.cif +0 -0
- structures/1vtq.cif +0 -0
- structures/1z79.cif +0 -0
- structures/219d.cif +1803 -0
- structures/2jwv.cif +0 -0
- structures/2jyj.cif +0 -0
- structures/2o33.cif +0 -0
- structures/2oe6.cif +0 -0
- structures/3k49.cif +0 -0
- structures/3wqz.cif +0 -0
- structures/4k4s.cif +0 -0
- structures/4wqs.cif +0 -0
- structures/5flx.cif +0 -0
- structures/5hc9.cif +0 -0
- structures/5ms0.cif +0 -0
- structures/5msf.cif +0 -0
- structures/5vh8.cif +0 -0
- structures/5x2g.cif +0 -0
- structures/6c64.cif +0 -0
- structures/6c6u.cif +0 -0
- structures/6mcf.cif +0 -0
- structures/6vui.cif +0 -0
- structures/6vwt.cif +0 -0
- structures/6vwv.cif +0 -0
- structures/6x5n.cif +0 -0
- structures/6xus.cif +0 -0
- structures/6xxa.cif +0 -0
- structures/6z8k.cif +0 -0
- structures/7kqm.cif +0 -0
- structures/7nad.cif +0 -0
- structures/7nas.cif +0 -0
- structures/7uo9.cif +0 -0
- structures/7uzy.cif +0 -0
- structures/8c8y.cif +0 -0
- structures/8dej.cif +0 -0
- structures/8dk7.cif +0 -0
- structures/8j1j.cif +0 -0
- structures/8jh4.cif +0 -0
- structures/8qrl.cif +0 -0
- structures/8s36.cif +0 -0
- structures/8t78.cif +0 -0
- structures/8xtr.cif +0 -0
- structures/8xzl.cif +0 -0
- structures/8xzn.cif +0 -0
- structures/8z8n.cif +0 -0
- structures/8za0.cif +0 -0
- structures/8zm3.cif +0 -0
- structures/9bz0.cif +0 -0
structures/1c9s.cif
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structures/1mms.cif
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structures/1sjf.cif
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structures/1vtq.cif
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structures/1z79.cif
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The diff for this file is too large to render.
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structures/219d.cif
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|
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|
|
|
|
|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
data_219D
|
| 2 |
+
#
|
| 3 |
+
_entry.id 219D
|
| 4 |
+
#
|
| 5 |
+
_audit_conform.dict_name mmcif_pdbx.dic
|
| 6 |
+
_audit_conform.dict_version 5.392
|
| 7 |
+
_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic
|
| 8 |
+
#
|
| 9 |
+
loop_
|
| 10 |
+
_database_2.database_id
|
| 11 |
+
_database_2.database_code
|
| 12 |
+
_database_2.pdbx_database_accession
|
| 13 |
+
_database_2.pdbx_DOI
|
| 14 |
+
PDB 219D pdb_0000219d 10.2210/pdb219d/pdb
|
| 15 |
+
WWPDB D_1000177585 ? ?
|
| 16 |
+
#
|
| 17 |
+
loop_
|
| 18 |
+
_pdbx_audit_revision_history.ordinal
|
| 19 |
+
_pdbx_audit_revision_history.data_content_type
|
| 20 |
+
_pdbx_audit_revision_history.major_revision
|
| 21 |
+
_pdbx_audit_revision_history.minor_revision
|
| 22 |
+
_pdbx_audit_revision_history.revision_date
|
| 23 |
+
1 'Structure model' 1 0 1995-10-15
|
| 24 |
+
2 'Structure model' 1 1 2008-03-28
|
| 25 |
+
3 'Structure model' 1 2 2011-07-13
|
| 26 |
+
4 'Structure model' 1 3 2022-03-09
|
| 27 |
+
5 'Structure model' 1 4 2024-05-22
|
| 28 |
+
#
|
| 29 |
+
_pdbx_audit_revision_details.ordinal 1
|
| 30 |
+
_pdbx_audit_revision_details.revision_ordinal 1
|
| 31 |
+
_pdbx_audit_revision_details.data_content_type 'Structure model'
|
| 32 |
+
_pdbx_audit_revision_details.provider repository
|
| 33 |
+
_pdbx_audit_revision_details.type 'Initial release'
|
| 34 |
+
_pdbx_audit_revision_details.description ?
|
| 35 |
+
_pdbx_audit_revision_details.details ?
|
| 36 |
+
#
|
| 37 |
+
loop_
|
| 38 |
+
_pdbx_audit_revision_group.ordinal
|
| 39 |
+
_pdbx_audit_revision_group.revision_ordinal
|
| 40 |
+
_pdbx_audit_revision_group.data_content_type
|
| 41 |
+
_pdbx_audit_revision_group.group
|
| 42 |
+
1 2 'Structure model' 'Version format compliance'
|
| 43 |
+
2 3 'Structure model' 'Version format compliance'
|
| 44 |
+
3 4 'Structure model' 'Database references'
|
| 45 |
+
4 4 'Structure model' 'Derived calculations'
|
| 46 |
+
5 4 'Structure model' Other
|
| 47 |
+
6 5 'Structure model' 'Data collection'
|
| 48 |
+
#
|
| 49 |
+
loop_
|
| 50 |
+
_pdbx_audit_revision_category.ordinal
|
| 51 |
+
_pdbx_audit_revision_category.revision_ordinal
|
| 52 |
+
_pdbx_audit_revision_category.data_content_type
|
| 53 |
+
_pdbx_audit_revision_category.category
|
| 54 |
+
1 4 'Structure model' database_2
|
| 55 |
+
2 4 'Structure model' pdbx_database_status
|
| 56 |
+
3 4 'Structure model' pdbx_struct_assembly
|
| 57 |
+
4 4 'Structure model' pdbx_struct_oper_list
|
| 58 |
+
5 4 'Structure model' struct_conn
|
| 59 |
+
6 5 'Structure model' chem_comp_atom
|
| 60 |
+
7 5 'Structure model' chem_comp_bond
|
| 61 |
+
#
|
| 62 |
+
loop_
|
| 63 |
+
_pdbx_audit_revision_item.ordinal
|
| 64 |
+
_pdbx_audit_revision_item.revision_ordinal
|
| 65 |
+
_pdbx_audit_revision_item.data_content_type
|
| 66 |
+
_pdbx_audit_revision_item.item
|
| 67 |
+
1 4 'Structure model' '_database_2.pdbx_DOI'
|
| 68 |
+
2 4 'Structure model' '_database_2.pdbx_database_accession'
|
| 69 |
+
3 4 'Structure model' '_pdbx_database_status.process_site'
|
| 70 |
+
4 4 'Structure model' '_struct_conn.pdbx_leaving_atom_flag'
|
| 71 |
+
#
|
| 72 |
+
_pdbx_database_status.status_code REL
|
| 73 |
+
_pdbx_database_status.entry_id 219D
|
| 74 |
+
_pdbx_database_status.recvd_initial_deposition_date 1995-07-25
|
| 75 |
+
_pdbx_database_status.deposit_site ?
|
| 76 |
+
_pdbx_database_status.process_site BNL
|
| 77 |
+
_pdbx_database_status.SG_entry .
|
| 78 |
+
_pdbx_database_status.pdb_format_compatible Y
|
| 79 |
+
_pdbx_database_status.status_code_mr ?
|
| 80 |
+
_pdbx_database_status.status_code_sf ?
|
| 81 |
+
_pdbx_database_status.status_code_cs ?
|
| 82 |
+
_pdbx_database_status.status_code_nmr_data ?
|
| 83 |
+
_pdbx_database_status.methods_development_category ?
|
| 84 |
+
#
|
| 85 |
+
loop_
|
| 86 |
+
_audit_author.name
|
| 87 |
+
_audit_author.pdbx_ordinal
|
| 88 |
+
'Gonzalez, C.' 1
|
| 89 |
+
'James, T.L.' 2
|
| 90 |
+
#
|
| 91 |
+
loop_
|
| 92 |
+
_citation.id
|
| 93 |
+
_citation.title
|
| 94 |
+
_citation.journal_abbrev
|
| 95 |
+
_citation.journal_volume
|
| 96 |
+
_citation.page_first
|
| 97 |
+
_citation.page_last
|
| 98 |
+
_citation.year
|
| 99 |
+
_citation.journal_id_ASTM
|
| 100 |
+
_citation.country
|
| 101 |
+
_citation.journal_id_ISSN
|
| 102 |
+
_citation.journal_id_CSD
|
| 103 |
+
_citation.book_publisher
|
| 104 |
+
_citation.pdbx_database_id_PubMed
|
| 105 |
+
_citation.pdbx_database_id_DOI
|
| 106 |
+
primary
|
| 107 |
+
;Structure and dynamics of a DNA.RNA hybrid duplex with a chiral phosphorothioate moiety: NMR and molecular dynamics with conventional and time-averaged restraints.
|
| 108 |
+
;
|
| 109 |
+
Biochemistry 34 4969 4982 1995 BICHAW US 0006-2960 0033 ? 7711019 10.1021/bi00015a008
|
| 110 |
+
1
|
| 111 |
+
;Structural Study of a DNA(Dot)RNA Hybrid Duplex with a Chiral Phosphorothioate Moiety by NMR: Extraction of Distance and Torsion Angle Constraints and Imino Proton Exchange Rates
|
| 112 |
+
;
|
| 113 |
+
Biochemistry 33 11062 ? 1994 BICHAW US 0006-2960 0033 ? ? ?
|
| 114 |
+
#
|
| 115 |
+
loop_
|
| 116 |
+
_citation_author.citation_id
|
| 117 |
+
_citation_author.name
|
| 118 |
+
_citation_author.ordinal
|
| 119 |
+
_citation_author.identifier_ORCID
|
| 120 |
+
primary 'Gonzalez, C.' 1 ?
|
| 121 |
+
primary 'Stec, W.' 2 ?
|
| 122 |
+
primary 'Reynolds, M.A.' 3 ?
|
| 123 |
+
primary 'James, T.L.' 4 ?
|
| 124 |
+
1 'Gonzalez, C.' 5 ?
|
| 125 |
+
1 'Stec, W.' 6 ?
|
| 126 |
+
1 'Kobylanska, A.' 7 ?
|
| 127 |
+
1 'Hogrefe, R.I.' 8 ?
|
| 128 |
+
1 'Reynolds, M.A.' 9 ?
|
| 129 |
+
1 'James, T.L.' 10 ?
|
| 130 |
+
#
|
| 131 |
+
loop_
|
| 132 |
+
_entity.id
|
| 133 |
+
_entity.type
|
| 134 |
+
_entity.src_method
|
| 135 |
+
_entity.pdbx_description
|
| 136 |
+
_entity.formula_weight
|
| 137 |
+
_entity.pdbx_number_of_molecules
|
| 138 |
+
_entity.pdbx_ec
|
| 139 |
+
_entity.pdbx_mutation
|
| 140 |
+
_entity.pdbx_fragment
|
| 141 |
+
_entity.details
|
| 142 |
+
1 polymer syn
|
| 143 |
+
;DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*TP*GP*G)-3')
|
| 144 |
+
;
|
| 145 |
+
3100.106 1 ? ? ? 'PHOSPHOROTHIOATE LINK BETWEEN A 7 AND T 8'
|
| 146 |
+
2 polymer syn
|
| 147 |
+
;RNA (5'-R(*CP*CP*AP*UP*UP*AP*UP*AP*GP*C)-3')
|
| 148 |
+
;
|
| 149 |
+
3121.908 1 ? ? ? 'PHOSPHOROTHIOATE LINK BETWEEN A 7 AND T 8'
|
| 150 |
+
#
|
| 151 |
+
loop_
|
| 152 |
+
_entity_keywords.entity_id
|
| 153 |
+
_entity_keywords.text
|
| 154 |
+
1 'DEOXYRIBONUCLEIC ACID'
|
| 155 |
+
2 'RIBONUCLEIC ACID'
|
| 156 |
+
#
|
| 157 |
+
loop_
|
| 158 |
+
_entity_poly.entity_id
|
| 159 |
+
_entity_poly.type
|
| 160 |
+
_entity_poly.nstd_linkage
|
| 161 |
+
_entity_poly.nstd_monomer
|
| 162 |
+
_entity_poly.pdbx_seq_one_letter_code
|
| 163 |
+
_entity_poly.pdbx_seq_one_letter_code_can
|
| 164 |
+
_entity_poly.pdbx_strand_id
|
| 165 |
+
_entity_poly.pdbx_target_identifier
|
| 166 |
+
1 polydeoxyribonucleotide no yes '(DG)(DC)(DT)(DA)(DT)(DA)(DA)(PST)(DG)(DG)' GCTATAATGG A ?
|
| 167 |
+
2 polyribonucleotide no no CCAUUAUAGC CCAUUAUAGC B ?
|
| 168 |
+
#
|
| 169 |
+
loop_
|
| 170 |
+
_entity_poly_seq.entity_id
|
| 171 |
+
_entity_poly_seq.num
|
| 172 |
+
_entity_poly_seq.mon_id
|
| 173 |
+
_entity_poly_seq.hetero
|
| 174 |
+
1 1 DG n
|
| 175 |
+
1 2 DC n
|
| 176 |
+
1 3 DT n
|
| 177 |
+
1 4 DA n
|
| 178 |
+
1 5 DT n
|
| 179 |
+
1 6 DA n
|
| 180 |
+
1 7 DA n
|
| 181 |
+
1 8 PST n
|
| 182 |
+
1 9 DG n
|
| 183 |
+
1 10 DG n
|
| 184 |
+
2 1 C n
|
| 185 |
+
2 2 C n
|
| 186 |
+
2 3 A n
|
| 187 |
+
2 4 U n
|
| 188 |
+
2 5 U n
|
| 189 |
+
2 6 A n
|
| 190 |
+
2 7 U n
|
| 191 |
+
2 8 A n
|
| 192 |
+
2 9 G n
|
| 193 |
+
2 10 C n
|
| 194 |
+
#
|
| 195 |
+
loop_
|
| 196 |
+
_pdbx_entity_src_syn.entity_id
|
| 197 |
+
_pdbx_entity_src_syn.pdbx_src_id
|
| 198 |
+
_pdbx_entity_src_syn.pdbx_alt_source_flag
|
| 199 |
+
_pdbx_entity_src_syn.pdbx_beg_seq_num
|
| 200 |
+
_pdbx_entity_src_syn.pdbx_end_seq_num
|
| 201 |
+
_pdbx_entity_src_syn.organism_scientific
|
| 202 |
+
_pdbx_entity_src_syn.organism_common_name
|
| 203 |
+
_pdbx_entity_src_syn.ncbi_taxonomy_id
|
| 204 |
+
_pdbx_entity_src_syn.details
|
| 205 |
+
1 1 sample ? ? ? ? ? 'CHEMICALLY SYNTHESIZED'
|
| 206 |
+
2 1 sample ? ? ? ? ? 'CHEMICALLY SYNTHESIZED'
|
| 207 |
+
#
|
| 208 |
+
loop_
|
| 209 |
+
_chem_comp.id
|
| 210 |
+
_chem_comp.type
|
| 211 |
+
_chem_comp.mon_nstd_flag
|
| 212 |
+
_chem_comp.name
|
| 213 |
+
_chem_comp.pdbx_synonyms
|
| 214 |
+
_chem_comp.formula
|
| 215 |
+
_chem_comp.formula_weight
|
| 216 |
+
A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 217 |
+
C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O8 P' 323.197
|
| 218 |
+
DA 'DNA linking' y "2'-DEOXYADENOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O6 P' 331.222
|
| 219 |
+
DC 'DNA linking' y "2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE" ? 'C9 H14 N3 O7 P' 307.197
|
| 220 |
+
DG 'DNA linking' y "2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O7 P' 347.221
|
| 221 |
+
DT 'DNA linking' y "THYMIDINE-5'-MONOPHOSPHATE" ? 'C10 H15 N2 O8 P' 322.208
|
| 222 |
+
G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? 'C10 H14 N5 O8 P' 363.221
|
| 223 |
+
PST 'DNA linking' n "THYMIDINE-5'-THIOPHOSPHATE" ? 'C10 H15 N2 O7 P S' 338.274
|
| 224 |
+
U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? 'C9 H13 N2 O9 P' 324.181
|
| 225 |
+
#
|
| 226 |
+
loop_
|
| 227 |
+
_pdbx_poly_seq_scheme.asym_id
|
| 228 |
+
_pdbx_poly_seq_scheme.entity_id
|
| 229 |
+
_pdbx_poly_seq_scheme.seq_id
|
| 230 |
+
_pdbx_poly_seq_scheme.mon_id
|
| 231 |
+
_pdbx_poly_seq_scheme.ndb_seq_num
|
| 232 |
+
_pdbx_poly_seq_scheme.pdb_seq_num
|
| 233 |
+
_pdbx_poly_seq_scheme.auth_seq_num
|
| 234 |
+
_pdbx_poly_seq_scheme.pdb_mon_id
|
| 235 |
+
_pdbx_poly_seq_scheme.auth_mon_id
|
| 236 |
+
_pdbx_poly_seq_scheme.pdb_strand_id
|
| 237 |
+
_pdbx_poly_seq_scheme.pdb_ins_code
|
| 238 |
+
_pdbx_poly_seq_scheme.hetero
|
| 239 |
+
A 1 1 DG 1 1 1 DG G A . n
|
| 240 |
+
A 1 2 DC 2 2 2 DC C A . n
|
| 241 |
+
A 1 3 DT 3 3 3 DT T A . n
|
| 242 |
+
A 1 4 DA 4 4 4 DA A A . n
|
| 243 |
+
A 1 5 DT 5 5 5 DT T A . n
|
| 244 |
+
A 1 6 DA 6 6 6 DA A A . n
|
| 245 |
+
A 1 7 DA 7 7 7 DA A A . n
|
| 246 |
+
A 1 8 PST 8 8 8 PST T A . n
|
| 247 |
+
A 1 9 DG 9 9 9 DG G A . n
|
| 248 |
+
A 1 10 DG 10 10 10 DG G A . n
|
| 249 |
+
B 2 1 C 1 11 11 C C B . n
|
| 250 |
+
B 2 2 C 2 12 12 C C B . n
|
| 251 |
+
B 2 3 A 3 13 13 A A B . n
|
| 252 |
+
B 2 4 U 4 14 14 U U B . n
|
| 253 |
+
B 2 5 U 5 15 15 U U B . n
|
| 254 |
+
B 2 6 A 6 16 16 A A B . n
|
| 255 |
+
B 2 7 U 7 17 17 U U B . n
|
| 256 |
+
B 2 8 A 8 18 18 A A B . n
|
| 257 |
+
B 2 9 G 9 19 19 G G B . n
|
| 258 |
+
B 2 10 C 10 20 20 C C B . n
|
| 259 |
+
#
|
| 260 |
+
_software.name AMBER
|
| 261 |
+
_software.classification refinement
|
| 262 |
+
_software.version .
|
| 263 |
+
_software.citation_id ?
|
| 264 |
+
_software.pdbx_ordinal 1
|
| 265 |
+
#
|
| 266 |
+
_cell.entry_id 219D
|
| 267 |
+
_cell.length_a 1.000
|
| 268 |
+
_cell.length_b 1.000
|
| 269 |
+
_cell.length_c 1.000
|
| 270 |
+
_cell.angle_alpha 90.00
|
| 271 |
+
_cell.angle_beta 90.00
|
| 272 |
+
_cell.angle_gamma 90.00
|
| 273 |
+
_cell.Z_PDB 1
|
| 274 |
+
_cell.pdbx_unique_axis ?
|
| 275 |
+
#
|
| 276 |
+
_symmetry.entry_id 219D
|
| 277 |
+
_symmetry.space_group_name_H-M 'P 1'
|
| 278 |
+
_symmetry.pdbx_full_space_group_name_H-M ?
|
| 279 |
+
_symmetry.cell_setting ?
|
| 280 |
+
_symmetry.Int_Tables_number 1
|
| 281 |
+
#
|
| 282 |
+
_exptl.entry_id 219D
|
| 283 |
+
_exptl.method 'SOLUTION NMR'
|
| 284 |
+
_exptl.crystals_number ?
|
| 285 |
+
#
|
| 286 |
+
_database_PDB_matrix.entry_id 219D
|
| 287 |
+
_database_PDB_matrix.origx[1][1] 1.000000
|
| 288 |
+
_database_PDB_matrix.origx[1][2] 0.000000
|
| 289 |
+
_database_PDB_matrix.origx[1][3] 0.000000
|
| 290 |
+
_database_PDB_matrix.origx[2][1] 0.000000
|
| 291 |
+
_database_PDB_matrix.origx[2][2] 1.000000
|
| 292 |
+
_database_PDB_matrix.origx[2][3] 0.000000
|
| 293 |
+
_database_PDB_matrix.origx[3][1] 0.000000
|
| 294 |
+
_database_PDB_matrix.origx[3][2] 0.000000
|
| 295 |
+
_database_PDB_matrix.origx[3][3] 1.000000
|
| 296 |
+
_database_PDB_matrix.origx_vector[1] 0.00000
|
| 297 |
+
_database_PDB_matrix.origx_vector[2] 0.00000
|
| 298 |
+
_database_PDB_matrix.origx_vector[3] 0.00000
|
| 299 |
+
#
|
| 300 |
+
_struct.entry_id 219D
|
| 301 |
+
_struct.title
|
| 302 |
+
;DNA/RNA HYBRID DUPLEX (5'-D(*GP*CP*TP*AP*TP*AP*APS*TP*GP*G)-3')(DOT) (5'-R(*CP*CP*AP*UP*UP*AP*UP*AP*GP*C)-3') WITH A PHOSPHOROTHIOATE MOIETY
|
| 303 |
+
;
|
| 304 |
+
_struct.pdbx_model_details ?
|
| 305 |
+
_struct.pdbx_CASP_flag ?
|
| 306 |
+
_struct.pdbx_model_type_details ?
|
| 307 |
+
#
|
| 308 |
+
_struct_keywords.entry_id 219D
|
| 309 |
+
_struct_keywords.pdbx_keywords 'DNA-RNA HYBRID'
|
| 310 |
+
_struct_keywords.text 'DNA, RNA, HYBRID, PHOSPHOROTHIOATE, DNA-RNA COMPLEX, DNA-RNA HYBRID'
|
| 311 |
+
#
|
| 312 |
+
loop_
|
| 313 |
+
_struct_asym.id
|
| 314 |
+
_struct_asym.pdbx_blank_PDB_chainid_flag
|
| 315 |
+
_struct_asym.pdbx_modified
|
| 316 |
+
_struct_asym.entity_id
|
| 317 |
+
_struct_asym.details
|
| 318 |
+
A N N 1 ?
|
| 319 |
+
B N N 2 ?
|
| 320 |
+
#
|
| 321 |
+
loop_
|
| 322 |
+
_struct_ref.id
|
| 323 |
+
_struct_ref.entity_id
|
| 324 |
+
_struct_ref.db_name
|
| 325 |
+
_struct_ref.db_code
|
| 326 |
+
_struct_ref.pdbx_db_accession
|
| 327 |
+
_struct_ref.pdbx_db_isoform
|
| 328 |
+
_struct_ref.pdbx_seq_one_letter_code
|
| 329 |
+
_struct_ref.pdbx_align_begin
|
| 330 |
+
1 1 PDB 219D 219D ? ? ?
|
| 331 |
+
2 2 PDB 219D 219D ? ? ?
|
| 332 |
+
#
|
| 333 |
+
loop_
|
| 334 |
+
_struct_ref_seq.align_id
|
| 335 |
+
_struct_ref_seq.ref_id
|
| 336 |
+
_struct_ref_seq.pdbx_PDB_id_code
|
| 337 |
+
_struct_ref_seq.pdbx_strand_id
|
| 338 |
+
_struct_ref_seq.seq_align_beg
|
| 339 |
+
_struct_ref_seq.pdbx_seq_align_beg_ins_code
|
| 340 |
+
_struct_ref_seq.seq_align_end
|
| 341 |
+
_struct_ref_seq.pdbx_seq_align_end_ins_code
|
| 342 |
+
_struct_ref_seq.pdbx_db_accession
|
| 343 |
+
_struct_ref_seq.db_align_beg
|
| 344 |
+
_struct_ref_seq.pdbx_db_align_beg_ins_code
|
| 345 |
+
_struct_ref_seq.db_align_end
|
| 346 |
+
_struct_ref_seq.pdbx_db_align_end_ins_code
|
| 347 |
+
_struct_ref_seq.pdbx_auth_seq_align_beg
|
| 348 |
+
_struct_ref_seq.pdbx_auth_seq_align_end
|
| 349 |
+
1 1 219D A 1 ? 10 ? 219D 1 ? 10 ? 1 10
|
| 350 |
+
2 2 219D B 1 ? 10 ? 219D 11 ? 20 ? 11 20
|
| 351 |
+
#
|
| 352 |
+
_pdbx_struct_assembly.id 1
|
| 353 |
+
_pdbx_struct_assembly.details author_defined_assembly
|
| 354 |
+
_pdbx_struct_assembly.method_details ?
|
| 355 |
+
_pdbx_struct_assembly.oligomeric_details dimeric
|
| 356 |
+
_pdbx_struct_assembly.oligomeric_count 2
|
| 357 |
+
#
|
| 358 |
+
_pdbx_struct_assembly_gen.assembly_id 1
|
| 359 |
+
_pdbx_struct_assembly_gen.oper_expression 1
|
| 360 |
+
_pdbx_struct_assembly_gen.asym_id_list A,B
|
| 361 |
+
#
|
| 362 |
+
_pdbx_struct_oper_list.id 1
|
| 363 |
+
_pdbx_struct_oper_list.type 'identity operation'
|
| 364 |
+
_pdbx_struct_oper_list.name 1_555
|
| 365 |
+
_pdbx_struct_oper_list.symmetry_operation x,y,z
|
| 366 |
+
_pdbx_struct_oper_list.matrix[1][1] 1.0000000000
|
| 367 |
+
_pdbx_struct_oper_list.matrix[1][2] 0.0000000000
|
| 368 |
+
_pdbx_struct_oper_list.matrix[1][3] 0.0000000000
|
| 369 |
+
_pdbx_struct_oper_list.vector[1] 0.0000000000
|
| 370 |
+
_pdbx_struct_oper_list.matrix[2][1] 0.0000000000
|
| 371 |
+
_pdbx_struct_oper_list.matrix[2][2] 1.0000000000
|
| 372 |
+
_pdbx_struct_oper_list.matrix[2][3] 0.0000000000
|
| 373 |
+
_pdbx_struct_oper_list.vector[2] 0.0000000000
|
| 374 |
+
_pdbx_struct_oper_list.matrix[3][1] 0.0000000000
|
| 375 |
+
_pdbx_struct_oper_list.matrix[3][2] 0.0000000000
|
| 376 |
+
_pdbx_struct_oper_list.matrix[3][3] 1.0000000000
|
| 377 |
+
_pdbx_struct_oper_list.vector[3] 0.0000000000
|
| 378 |
+
#
|
| 379 |
+
_struct_biol.id 1
|
| 380 |
+
#
|
| 381 |
+
loop_
|
| 382 |
+
_struct_conn.id
|
| 383 |
+
_struct_conn.conn_type_id
|
| 384 |
+
_struct_conn.pdbx_leaving_atom_flag
|
| 385 |
+
_struct_conn.pdbx_PDB_id
|
| 386 |
+
_struct_conn.ptnr1_label_asym_id
|
| 387 |
+
_struct_conn.ptnr1_label_comp_id
|
| 388 |
+
_struct_conn.ptnr1_label_seq_id
|
| 389 |
+
_struct_conn.ptnr1_label_atom_id
|
| 390 |
+
_struct_conn.pdbx_ptnr1_label_alt_id
|
| 391 |
+
_struct_conn.pdbx_ptnr1_PDB_ins_code
|
| 392 |
+
_struct_conn.pdbx_ptnr1_standard_comp_id
|
| 393 |
+
_struct_conn.ptnr1_symmetry
|
| 394 |
+
_struct_conn.ptnr2_label_asym_id
|
| 395 |
+
_struct_conn.ptnr2_label_comp_id
|
| 396 |
+
_struct_conn.ptnr2_label_seq_id
|
| 397 |
+
_struct_conn.ptnr2_label_atom_id
|
| 398 |
+
_struct_conn.pdbx_ptnr2_label_alt_id
|
| 399 |
+
_struct_conn.pdbx_ptnr2_PDB_ins_code
|
| 400 |
+
_struct_conn.ptnr1_auth_asym_id
|
| 401 |
+
_struct_conn.ptnr1_auth_comp_id
|
| 402 |
+
_struct_conn.ptnr1_auth_seq_id
|
| 403 |
+
_struct_conn.ptnr2_auth_asym_id
|
| 404 |
+
_struct_conn.ptnr2_auth_comp_id
|
| 405 |
+
_struct_conn.ptnr2_auth_seq_id
|
| 406 |
+
_struct_conn.ptnr2_symmetry
|
| 407 |
+
_struct_conn.pdbx_ptnr3_label_atom_id
|
| 408 |
+
_struct_conn.pdbx_ptnr3_label_seq_id
|
| 409 |
+
_struct_conn.pdbx_ptnr3_label_comp_id
|
| 410 |
+
_struct_conn.pdbx_ptnr3_label_asym_id
|
| 411 |
+
_struct_conn.pdbx_ptnr3_label_alt_id
|
| 412 |
+
_struct_conn.pdbx_ptnr3_PDB_ins_code
|
| 413 |
+
_struct_conn.details
|
| 414 |
+
_struct_conn.pdbx_dist_value
|
| 415 |
+
_struct_conn.pdbx_value_order
|
| 416 |
+
_struct_conn.pdbx_role
|
| 417 |
+
covale1 covale both ? A DA 7 "O3'" ? ? ? 1_555 A PST 8 P ? ? A DA 7 A PST 8 1_555 ? ? ? ? ? ? ? 1.604 ? ?
|
| 418 |
+
covale2 covale both ? A PST 8 "O3'" ? ? ? 1_555 A DG 9 P ? ? A PST 8 A DG 9 1_555 ? ? ? ? ? ? ? 1.613 ? ?
|
| 419 |
+
hydrog1 hydrog ? ? A DG 1 N1 ? ? ? 1_555 B C 10 N3 ? ? A DG 1 B C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 420 |
+
hydrog2 hydrog ? ? A DG 1 N2 ? ? ? 1_555 B C 10 O2 ? ? A DG 1 B C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 421 |
+
hydrog3 hydrog ? ? A DG 1 O6 ? ? ? 1_555 B C 10 N4 ? ? A DG 1 B C 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 422 |
+
hydrog4 hydrog ? ? A DC 2 N3 ? ? ? 1_555 B G 9 N1 ? ? A DC 2 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 423 |
+
hydrog5 hydrog ? ? A DC 2 N4 ? ? ? 1_555 B G 9 O6 ? ? A DC 2 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 424 |
+
hydrog6 hydrog ? ? A DC 2 O2 ? ? ? 1_555 B G 9 N2 ? ? A DC 2 B G 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 425 |
+
hydrog7 hydrog ? ? A DT 3 N3 ? ? ? 1_555 B A 8 N1 ? ? A DT 3 B A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 426 |
+
hydrog8 hydrog ? ? A DT 3 O4 ? ? ? 1_555 B A 8 N6 ? ? A DT 3 B A 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 427 |
+
hydrog9 hydrog ? ? A DA 4 N1 ? ? ? 1_555 B U 7 N3 ? ? A DA 4 B U 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 428 |
+
hydrog10 hydrog ? ? A DA 4 N6 ? ? ? 1_555 B U 7 O4 ? ? A DA 4 B U 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 429 |
+
hydrog11 hydrog ? ? A DT 5 N3 ? ? ? 1_555 B A 6 N1 ? ? A DT 5 B A 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 430 |
+
hydrog12 hydrog ? ? A DT 5 O4 ? ? ? 1_555 B A 6 N6 ? ? A DT 5 B A 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 431 |
+
hydrog13 hydrog ? ? A DA 6 N1 ? ? ? 1_555 B U 5 N3 ? ? A DA 6 B U 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 432 |
+
hydrog14 hydrog ? ? A DA 6 N6 ? ? ? 1_555 B U 5 O4 ? ? A DA 6 B U 15 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 433 |
+
hydrog15 hydrog ? ? A DA 7 N1 ? ? ? 1_555 B U 4 N3 ? ? A DA 7 B U 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 434 |
+
hydrog16 hydrog ? ? A DA 7 N6 ? ? ? 1_555 B U 4 O4 ? ? A DA 7 B U 14 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 435 |
+
hydrog17 hydrog ? ? A PST 8 N3 ? ? ? 1_555 B A 3 N1 ? ? A PST 8 B A 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 436 |
+
hydrog18 hydrog ? ? A PST 8 O4 ? ? ? 1_555 B A 3 N6 ? ? A PST 8 B A 13 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 437 |
+
hydrog19 hydrog ? ? A DG 9 N1 ? ? ? 1_555 B C 2 N3 ? ? A DG 9 B C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 438 |
+
hydrog20 hydrog ? ? A DG 9 N2 ? ? ? 1_555 B C 2 O2 ? ? A DG 9 B C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 439 |
+
hydrog21 hydrog ? ? A DG 9 O6 ? ? ? 1_555 B C 2 N4 ? ? A DG 9 B C 12 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 440 |
+
hydrog22 hydrog ? ? A DG 10 N1 ? ? ? 1_555 B C 1 N3 ? ? A DG 10 B C 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 441 |
+
hydrog23 hydrog ? ? A DG 10 N2 ? ? ? 1_555 B C 1 O2 ? ? A DG 10 B C 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 442 |
+
hydrog24 hydrog ? ? A DG 10 O6 ? ? ? 1_555 B C 1 N4 ? ? A DG 10 B C 11 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ?
|
| 443 |
+
#
|
| 444 |
+
loop_
|
| 445 |
+
_struct_conn_type.id
|
| 446 |
+
_struct_conn_type.criteria
|
| 447 |
+
_struct_conn_type.reference
|
| 448 |
+
covale ? ?
|
| 449 |
+
hydrog ? ?
|
| 450 |
+
#
|
| 451 |
+
loop_
|
| 452 |
+
_pdbx_validate_rmsd_angle.id
|
| 453 |
+
_pdbx_validate_rmsd_angle.PDB_model_num
|
| 454 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_1
|
| 455 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_1
|
| 456 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_1
|
| 457 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_1
|
| 458 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_1
|
| 459 |
+
_pdbx_validate_rmsd_angle.label_alt_id_1
|
| 460 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_2
|
| 461 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_2
|
| 462 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_2
|
| 463 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_2
|
| 464 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_2
|
| 465 |
+
_pdbx_validate_rmsd_angle.label_alt_id_2
|
| 466 |
+
_pdbx_validate_rmsd_angle.auth_atom_id_3
|
| 467 |
+
_pdbx_validate_rmsd_angle.auth_asym_id_3
|
| 468 |
+
_pdbx_validate_rmsd_angle.auth_comp_id_3
|
| 469 |
+
_pdbx_validate_rmsd_angle.auth_seq_id_3
|
| 470 |
+
_pdbx_validate_rmsd_angle.PDB_ins_code_3
|
| 471 |
+
_pdbx_validate_rmsd_angle.label_alt_id_3
|
| 472 |
+
_pdbx_validate_rmsd_angle.angle_value
|
| 473 |
+
_pdbx_validate_rmsd_angle.angle_target_value
|
| 474 |
+
_pdbx_validate_rmsd_angle.angle_deviation
|
| 475 |
+
_pdbx_validate_rmsd_angle.angle_standard_deviation
|
| 476 |
+
_pdbx_validate_rmsd_angle.linker_flag
|
| 477 |
+
1 1 "C4'" A DG 1 ? ? "C3'" A DG 1 ? ? "C2'" A DG 1 ? ? 96.85 102.20 -5.35 0.70 N
|
| 478 |
+
2 1 "O4'" A DG 1 ? ? "C1'" A DG 1 ? ? N9 A DG 1 ? ? 113.00 108.30 4.70 0.30 N
|
| 479 |
+
3 1 "O4'" A DC 2 ? ? "C1'" A DC 2 ? ? "C2'" A DC 2 ? ? 109.99 106.80 3.19 0.50 N
|
| 480 |
+
4 1 "O4'" A DC 2 ? ? "C1'" A DC 2 ? ? N1 A DC 2 ? ? 112.17 108.30 3.87 0.30 N
|
| 481 |
+
5 1 "O4'" A DT 3 ? ? "C1'" A DT 3 ? ? "C2'" A DT 3 ? ? 100.96 105.90 -4.94 0.80 N
|
| 482 |
+
6 1 C6 A DT 3 ? ? C5 A DT 3 ? ? C7 A DT 3 ? ? 118.65 122.90 -4.25 0.60 N
|
| 483 |
+
7 1 "C3'" A DA 4 ? ? "C2'" A DA 4 ? ? "C1'" A DA 4 ? ? 110.86 102.50 8.36 1.20 N
|
| 484 |
+
8 1 "O4'" A DA 4 ? ? "C1'" A DA 4 ? ? N9 A DA 4 ? ? 111.25 108.30 2.95 0.30 N
|
| 485 |
+
9 1 C6 A DT 5 ? ? C5 A DT 5 ? ? C7 A DT 5 ? ? 118.48 122.90 -4.42 0.60 N
|
| 486 |
+
10 1 "O4'" A DA 6 ? ? "C1'" A DA 6 ? ? N9 A DA 6 ? ? 110.46 108.30 2.16 0.30 N
|
| 487 |
+
11 1 "O4'" A DA 7 ? ? "C4'" A DA 7 ? ? "C3'" A DA 7 ? ? 110.70 106.00 4.70 0.60 N
|
| 488 |
+
12 1 "C4'" A DA 7 ? ? "C3'" A DA 7 ? ? "C2'" A DA 7 ? ? 92.50 102.20 -9.70 0.70 N
|
| 489 |
+
13 1 "O4'" A DA 7 ? ? "C1'" A DA 7 ? ? "C2'" A DA 7 ? ? 95.67 105.90 -10.23 0.80 N
|
| 490 |
+
14 1 "O4'" A DA 7 ? ? "C1'" A DA 7 ? ? N9 A DA 7 ? ? 116.46 108.30 8.16 0.30 N
|
| 491 |
+
15 1 "O4'" A DG 9 ? ? "C1'" A DG 9 ? ? N9 A DG 9 ? ? 111.01 108.30 2.71 0.30 N
|
| 492 |
+
16 1 "O4'" A DG 10 ? ? "C1'" A DG 10 ? ? N9 A DG 10 ? ? 110.50 108.30 2.20 0.30 N
|
| 493 |
+
17 1 "O4'" B C 12 ? ? "C1'" B C 12 ? ? N1 B C 12 ? ? 113.21 108.50 4.71 0.70 N
|
| 494 |
+
18 1 "O4'" B A 13 ? ? "C1'" B A 13 ? ? N9 B A 13 ? ? 113.77 108.50 5.27 0.70 N
|
| 495 |
+
19 1 "O4'" B U 14 ? ? "C1'" B U 14 ? ? N1 B U 14 ? ? 114.86 108.50 6.36 0.70 N
|
| 496 |
+
20 1 "O4'" B U 15 ? ? "C1'" B U 15 ? ? N1 B U 15 ? ? 112.83 108.50 4.33 0.70 N
|
| 497 |
+
21 1 "C3'" B A 16 ? ? "C2'" B A 16 ? ? "C1'" B A 16 ? ? 106.33 101.50 4.83 0.80 N
|
| 498 |
+
22 1 "O4'" B A 16 ? ? "C1'" B A 16 ? ? N9 B A 16 ? ? 114.37 108.50 5.87 0.70 N
|
| 499 |
+
23 1 "O4'" B U 17 ? ? "C1'" B U 17 ? ? N1 B U 17 ? ? 113.25 108.50 4.75 0.70 N
|
| 500 |
+
24 1 "C5'" B A 18 ? ? "C4'" B A 18 ? ? "O4'" B A 18 ? ? 115.49 109.80 5.69 0.90 N
|
| 501 |
+
25 1 "C3'" B A 18 ? ? "C2'" B A 18 ? ? "C1'" B A 18 ? ? 107.57 101.50 6.07 0.80 N
|
| 502 |
+
26 1 "O4'" B C 20 ? ? "C1'" B C 20 ? ? N1 B C 20 ? ? 114.26 108.50 5.76 0.70 N
|
| 503 |
+
#
|
| 504 |
+
loop_
|
| 505 |
+
_pdbx_validate_planes.id
|
| 506 |
+
_pdbx_validate_planes.PDB_model_num
|
| 507 |
+
_pdbx_validate_planes.auth_comp_id
|
| 508 |
+
_pdbx_validate_planes.auth_asym_id
|
| 509 |
+
_pdbx_validate_planes.auth_seq_id
|
| 510 |
+
_pdbx_validate_planes.PDB_ins_code
|
| 511 |
+
_pdbx_validate_planes.label_alt_id
|
| 512 |
+
_pdbx_validate_planes.rmsd
|
| 513 |
+
_pdbx_validate_planes.type
|
| 514 |
+
1 1 DG A 1 ? ? 0.066 'SIDE CHAIN'
|
| 515 |
+
2 1 DA A 6 ? ? 0.067 'SIDE CHAIN'
|
| 516 |
+
3 1 DA A 7 ? ? 0.070 'SIDE CHAIN'
|
| 517 |
+
4 1 C B 11 ? ? 0.091 'SIDE CHAIN'
|
| 518 |
+
5 1 C B 12 ? ? 0.067 'SIDE CHAIN'
|
| 519 |
+
6 1 A B 13 ? ? 0.109 'SIDE CHAIN'
|
| 520 |
+
7 1 A B 18 ? ? 0.073 'SIDE CHAIN'
|
| 521 |
+
#
|
| 522 |
+
_pdbx_struct_mod_residue.id 1
|
| 523 |
+
_pdbx_struct_mod_residue.label_asym_id A
|
| 524 |
+
_pdbx_struct_mod_residue.label_comp_id PST
|
| 525 |
+
_pdbx_struct_mod_residue.label_seq_id 8
|
| 526 |
+
_pdbx_struct_mod_residue.auth_asym_id A
|
| 527 |
+
_pdbx_struct_mod_residue.auth_comp_id PST
|
| 528 |
+
_pdbx_struct_mod_residue.auth_seq_id 8
|
| 529 |
+
_pdbx_struct_mod_residue.PDB_ins_code ?
|
| 530 |
+
_pdbx_struct_mod_residue.parent_comp_id DT
|
| 531 |
+
_pdbx_struct_mod_residue.details "THYMIDINE-5'-THIOPHOSPHATE"
|
| 532 |
+
#
|
| 533 |
+
_pdbx_nmr_ensemble.entry_id 219D
|
| 534 |
+
_pdbx_nmr_ensemble.conformers_calculated_total_number ?
|
| 535 |
+
_pdbx_nmr_ensemble.conformers_submitted_total_number 1
|
| 536 |
+
_pdbx_nmr_ensemble.conformer_selection_criteria ?
|
| 537 |
+
_pdbx_nmr_ensemble.average_constraints_per_residue ?
|
| 538 |
+
_pdbx_nmr_ensemble.average_constraint_violations_per_residue ?
|
| 539 |
+
_pdbx_nmr_ensemble.maximum_distance_constraint_violation ?
|
| 540 |
+
_pdbx_nmr_ensemble.average_distance_constraint_violation ?
|
| 541 |
+
_pdbx_nmr_ensemble.maximum_upper_distance_constraint_violation ?
|
| 542 |
+
_pdbx_nmr_ensemble.maximum_lower_distance_constraint_violation ?
|
| 543 |
+
_pdbx_nmr_ensemble.distance_constraint_violation_method ?
|
| 544 |
+
_pdbx_nmr_ensemble.maximum_torsion_angle_constraint_violation ?
|
| 545 |
+
_pdbx_nmr_ensemble.average_torsion_angle_constraint_violation ?
|
| 546 |
+
_pdbx_nmr_ensemble.torsion_angle_constraint_violation_method ?
|
| 547 |
+
#
|
| 548 |
+
_pdbx_nmr_details.entry_id 219D
|
| 549 |
+
_pdbx_nmr_details.text
|
| 550 |
+
;THE PHOSPHATE BETWEEN NUCLEOTIDES SEVEN AND EIGHT IS MODIFIED BY SUBSTITUTING A SULFUR FOR ONE OF THE OXYGEN ATOMS. TWO SAMPLES WITH PURE CHIRALITY (R OR S) HAVE BEEN STUDIED; ONLY MINOR DIFFERENCES COULD BE DETECTED. THE COORDINATES REPRESENT THE S STEREOISOMER OF THE MODIFIED PHOSPHATE. THE SIXTH ROOT R-FACTOR, EXPRESSING THE FIT TO THE EXPERIMENTAL NOE DATA, CALCULATED WITH THE PROGRAM CORMA (KEEPERS AND JAMES), HAS A VALUE OF 0.074. THE ROOT MEAN SQUARE DEVIATION BETWEEN EXPERIMENTAL AND THEORETICAL DEOXYRIBOSE J-COUPLING CONSTRAINTS IS 2.01 HZ. THIS POOR FIT OF THE COUPLING CONSTANTS IS DUE TO CONFORMATIONAL FLEXIBILITY IN THE SUGAR RING.
|
| 551 |
+
;
|
| 552 |
+
#
|
| 553 |
+
_pdbx_nmr_refine.entry_id 219D
|
| 554 |
+
_pdbx_nmr_refine.method 'molecular dynamics'
|
| 555 |
+
_pdbx_nmr_refine.details
|
| 556 |
+
;NUMBER OF ATOMS USED IN REFINEMENT. NUMBER OF PROTEIN ATOMS 0 NUMBER OF NUCLEIC ACID ATOMS 411 NUMBER OF HETEROGEN ATOMS 0 NUMBER OF SOLVENT ATOMS 0
|
| 557 |
+
;
|
| 558 |
+
_pdbx_nmr_refine.software_ordinal 1
|
| 559 |
+
#
|
| 560 |
+
_pdbx_nmr_software.name AMBER4
|
| 561 |
+
_pdbx_nmr_software.version ?
|
| 562 |
+
_pdbx_nmr_software.classification refinement
|
| 563 |
+
_pdbx_nmr_software.authors PEARLMAN,KOLLMAN
|
| 564 |
+
_pdbx_nmr_software.ordinal 1
|
| 565 |
+
#
|
| 566 |
+
loop_
|
| 567 |
+
_chem_comp_atom.comp_id
|
| 568 |
+
_chem_comp_atom.atom_id
|
| 569 |
+
_chem_comp_atom.type_symbol
|
| 570 |
+
_chem_comp_atom.pdbx_aromatic_flag
|
| 571 |
+
_chem_comp_atom.pdbx_stereo_config
|
| 572 |
+
_chem_comp_atom.pdbx_ordinal
|
| 573 |
+
A OP3 O N N 1
|
| 574 |
+
A P P N N 2
|
| 575 |
+
A OP1 O N N 3
|
| 576 |
+
A OP2 O N N 4
|
| 577 |
+
A "O5'" O N N 5
|
| 578 |
+
A "C5'" C N N 6
|
| 579 |
+
A "C4'" C N R 7
|
| 580 |
+
A "O4'" O N N 8
|
| 581 |
+
A "C3'" C N S 9
|
| 582 |
+
A "O3'" O N N 10
|
| 583 |
+
A "C2'" C N R 11
|
| 584 |
+
A "O2'" O N N 12
|
| 585 |
+
A "C1'" C N R 13
|
| 586 |
+
A N9 N Y N 14
|
| 587 |
+
A C8 C Y N 15
|
| 588 |
+
A N7 N Y N 16
|
| 589 |
+
A C5 C Y N 17
|
| 590 |
+
A C6 C Y N 18
|
| 591 |
+
A N6 N N N 19
|
| 592 |
+
A N1 N Y N 20
|
| 593 |
+
A C2 C Y N 21
|
| 594 |
+
A N3 N Y N 22
|
| 595 |
+
A C4 C Y N 23
|
| 596 |
+
A HOP3 H N N 24
|
| 597 |
+
A HOP2 H N N 25
|
| 598 |
+
A "H5'" H N N 26
|
| 599 |
+
A "H5''" H N N 27
|
| 600 |
+
A "H4'" H N N 28
|
| 601 |
+
A "H3'" H N N 29
|
| 602 |
+
A "HO3'" H N N 30
|
| 603 |
+
A "H2'" H N N 31
|
| 604 |
+
A "HO2'" H N N 32
|
| 605 |
+
A "H1'" H N N 33
|
| 606 |
+
A H8 H N N 34
|
| 607 |
+
A H61 H N N 35
|
| 608 |
+
A H62 H N N 36
|
| 609 |
+
A H2 H N N 37
|
| 610 |
+
C OP3 O N N 38
|
| 611 |
+
C P P N N 39
|
| 612 |
+
C OP1 O N N 40
|
| 613 |
+
C OP2 O N N 41
|
| 614 |
+
C "O5'" O N N 42
|
| 615 |
+
C "C5'" C N N 43
|
| 616 |
+
C "C4'" C N R 44
|
| 617 |
+
C "O4'" O N N 45
|
| 618 |
+
C "C3'" C N S 46
|
| 619 |
+
C "O3'" O N N 47
|
| 620 |
+
C "C2'" C N R 48
|
| 621 |
+
C "O2'" O N N 49
|
| 622 |
+
C "C1'" C N R 50
|
| 623 |
+
C N1 N N N 51
|
| 624 |
+
C C2 C N N 52
|
| 625 |
+
C O2 O N N 53
|
| 626 |
+
C N3 N N N 54
|
| 627 |
+
C C4 C N N 55
|
| 628 |
+
C N4 N N N 56
|
| 629 |
+
C C5 C N N 57
|
| 630 |
+
C C6 C N N 58
|
| 631 |
+
C HOP3 H N N 59
|
| 632 |
+
C HOP2 H N N 60
|
| 633 |
+
C "H5'" H N N 61
|
| 634 |
+
C "H5''" H N N 62
|
| 635 |
+
C "H4'" H N N 63
|
| 636 |
+
C "H3'" H N N 64
|
| 637 |
+
C "HO3'" H N N 65
|
| 638 |
+
C "H2'" H N N 66
|
| 639 |
+
C "HO2'" H N N 67
|
| 640 |
+
C "H1'" H N N 68
|
| 641 |
+
C H41 H N N 69
|
| 642 |
+
C H42 H N N 70
|
| 643 |
+
C H5 H N N 71
|
| 644 |
+
C H6 H N N 72
|
| 645 |
+
DA OP3 O N N 73
|
| 646 |
+
DA P P N N 74
|
| 647 |
+
DA OP1 O N N 75
|
| 648 |
+
DA OP2 O N N 76
|
| 649 |
+
DA "O5'" O N N 77
|
| 650 |
+
DA "C5'" C N N 78
|
| 651 |
+
DA "C4'" C N R 79
|
| 652 |
+
DA "O4'" O N N 80
|
| 653 |
+
DA "C3'" C N S 81
|
| 654 |
+
DA "O3'" O N N 82
|
| 655 |
+
DA "C2'" C N N 83
|
| 656 |
+
DA "C1'" C N R 84
|
| 657 |
+
DA N9 N Y N 85
|
| 658 |
+
DA C8 C Y N 86
|
| 659 |
+
DA N7 N Y N 87
|
| 660 |
+
DA C5 C Y N 88
|
| 661 |
+
DA C6 C Y N 89
|
| 662 |
+
DA N6 N N N 90
|
| 663 |
+
DA N1 N Y N 91
|
| 664 |
+
DA C2 C Y N 92
|
| 665 |
+
DA N3 N Y N 93
|
| 666 |
+
DA C4 C Y N 94
|
| 667 |
+
DA HOP3 H N N 95
|
| 668 |
+
DA HOP2 H N N 96
|
| 669 |
+
DA "H5'" H N N 97
|
| 670 |
+
DA "H5''" H N N 98
|
| 671 |
+
DA "H4'" H N N 99
|
| 672 |
+
DA "H3'" H N N 100
|
| 673 |
+
DA "HO3'" H N N 101
|
| 674 |
+
DA "H2'" H N N 102
|
| 675 |
+
DA "H2''" H N N 103
|
| 676 |
+
DA "H1'" H N N 104
|
| 677 |
+
DA H8 H N N 105
|
| 678 |
+
DA H61 H N N 106
|
| 679 |
+
DA H62 H N N 107
|
| 680 |
+
DA H2 H N N 108
|
| 681 |
+
DC OP3 O N N 109
|
| 682 |
+
DC P P N N 110
|
| 683 |
+
DC OP1 O N N 111
|
| 684 |
+
DC OP2 O N N 112
|
| 685 |
+
DC "O5'" O N N 113
|
| 686 |
+
DC "C5'" C N N 114
|
| 687 |
+
DC "C4'" C N R 115
|
| 688 |
+
DC "O4'" O N N 116
|
| 689 |
+
DC "C3'" C N S 117
|
| 690 |
+
DC "O3'" O N N 118
|
| 691 |
+
DC "C2'" C N N 119
|
| 692 |
+
DC "C1'" C N R 120
|
| 693 |
+
DC N1 N N N 121
|
| 694 |
+
DC C2 C N N 122
|
| 695 |
+
DC O2 O N N 123
|
| 696 |
+
DC N3 N N N 124
|
| 697 |
+
DC C4 C N N 125
|
| 698 |
+
DC N4 N N N 126
|
| 699 |
+
DC C5 C N N 127
|
| 700 |
+
DC C6 C N N 128
|
| 701 |
+
DC HOP3 H N N 129
|
| 702 |
+
DC HOP2 H N N 130
|
| 703 |
+
DC "H5'" H N N 131
|
| 704 |
+
DC "H5''" H N N 132
|
| 705 |
+
DC "H4'" H N N 133
|
| 706 |
+
DC "H3'" H N N 134
|
| 707 |
+
DC "HO3'" H N N 135
|
| 708 |
+
DC "H2'" H N N 136
|
| 709 |
+
DC "H2''" H N N 137
|
| 710 |
+
DC "H1'" H N N 138
|
| 711 |
+
DC H41 H N N 139
|
| 712 |
+
DC H42 H N N 140
|
| 713 |
+
DC H5 H N N 141
|
| 714 |
+
DC H6 H N N 142
|
| 715 |
+
DG OP3 O N N 143
|
| 716 |
+
DG P P N N 144
|
| 717 |
+
DG OP1 O N N 145
|
| 718 |
+
DG OP2 O N N 146
|
| 719 |
+
DG "O5'" O N N 147
|
| 720 |
+
DG "C5'" C N N 148
|
| 721 |
+
DG "C4'" C N R 149
|
| 722 |
+
DG "O4'" O N N 150
|
| 723 |
+
DG "C3'" C N S 151
|
| 724 |
+
DG "O3'" O N N 152
|
| 725 |
+
DG "C2'" C N N 153
|
| 726 |
+
DG "C1'" C N R 154
|
| 727 |
+
DG N9 N Y N 155
|
| 728 |
+
DG C8 C Y N 156
|
| 729 |
+
DG N7 N Y N 157
|
| 730 |
+
DG C5 C Y N 158
|
| 731 |
+
DG C6 C N N 159
|
| 732 |
+
DG O6 O N N 160
|
| 733 |
+
DG N1 N N N 161
|
| 734 |
+
DG C2 C N N 162
|
| 735 |
+
DG N2 N N N 163
|
| 736 |
+
DG N3 N N N 164
|
| 737 |
+
DG C4 C Y N 165
|
| 738 |
+
DG HOP3 H N N 166
|
| 739 |
+
DG HOP2 H N N 167
|
| 740 |
+
DG "H5'" H N N 168
|
| 741 |
+
DG "H5''" H N N 169
|
| 742 |
+
DG "H4'" H N N 170
|
| 743 |
+
DG "H3'" H N N 171
|
| 744 |
+
DG "HO3'" H N N 172
|
| 745 |
+
DG "H2'" H N N 173
|
| 746 |
+
DG "H2''" H N N 174
|
| 747 |
+
DG "H1'" H N N 175
|
| 748 |
+
DG H8 H N N 176
|
| 749 |
+
DG H1 H N N 177
|
| 750 |
+
DG H21 H N N 178
|
| 751 |
+
DG H22 H N N 179
|
| 752 |
+
DT OP3 O N N 180
|
| 753 |
+
DT P P N N 181
|
| 754 |
+
DT OP1 O N N 182
|
| 755 |
+
DT OP2 O N N 183
|
| 756 |
+
DT "O5'" O N N 184
|
| 757 |
+
DT "C5'" C N N 185
|
| 758 |
+
DT "C4'" C N R 186
|
| 759 |
+
DT "O4'" O N N 187
|
| 760 |
+
DT "C3'" C N S 188
|
| 761 |
+
DT "O3'" O N N 189
|
| 762 |
+
DT "C2'" C N N 190
|
| 763 |
+
DT "C1'" C N R 191
|
| 764 |
+
DT N1 N N N 192
|
| 765 |
+
DT C2 C N N 193
|
| 766 |
+
DT O2 O N N 194
|
| 767 |
+
DT N3 N N N 195
|
| 768 |
+
DT C4 C N N 196
|
| 769 |
+
DT O4 O N N 197
|
| 770 |
+
DT C5 C N N 198
|
| 771 |
+
DT C7 C N N 199
|
| 772 |
+
DT C6 C N N 200
|
| 773 |
+
DT HOP3 H N N 201
|
| 774 |
+
DT HOP2 H N N 202
|
| 775 |
+
DT "H5'" H N N 203
|
| 776 |
+
DT "H5''" H N N 204
|
| 777 |
+
DT "H4'" H N N 205
|
| 778 |
+
DT "H3'" H N N 206
|
| 779 |
+
DT "HO3'" H N N 207
|
| 780 |
+
DT "H2'" H N N 208
|
| 781 |
+
DT "H2''" H N N 209
|
| 782 |
+
DT "H1'" H N N 210
|
| 783 |
+
DT H3 H N N 211
|
| 784 |
+
DT H71 H N N 212
|
| 785 |
+
DT H72 H N N 213
|
| 786 |
+
DT H73 H N N 214
|
| 787 |
+
DT H6 H N N 215
|
| 788 |
+
G OP3 O N N 216
|
| 789 |
+
G P P N N 217
|
| 790 |
+
G OP1 O N N 218
|
| 791 |
+
G OP2 O N N 219
|
| 792 |
+
G "O5'" O N N 220
|
| 793 |
+
G "C5'" C N N 221
|
| 794 |
+
G "C4'" C N R 222
|
| 795 |
+
G "O4'" O N N 223
|
| 796 |
+
G "C3'" C N S 224
|
| 797 |
+
G "O3'" O N N 225
|
| 798 |
+
G "C2'" C N R 226
|
| 799 |
+
G "O2'" O N N 227
|
| 800 |
+
G "C1'" C N R 228
|
| 801 |
+
G N9 N Y N 229
|
| 802 |
+
G C8 C Y N 230
|
| 803 |
+
G N7 N Y N 231
|
| 804 |
+
G C5 C Y N 232
|
| 805 |
+
G C6 C N N 233
|
| 806 |
+
G O6 O N N 234
|
| 807 |
+
G N1 N N N 235
|
| 808 |
+
G C2 C N N 236
|
| 809 |
+
G N2 N N N 237
|
| 810 |
+
G N3 N N N 238
|
| 811 |
+
G C4 C Y N 239
|
| 812 |
+
G HOP3 H N N 240
|
| 813 |
+
G HOP2 H N N 241
|
| 814 |
+
G "H5'" H N N 242
|
| 815 |
+
G "H5''" H N N 243
|
| 816 |
+
G "H4'" H N N 244
|
| 817 |
+
G "H3'" H N N 245
|
| 818 |
+
G "HO3'" H N N 246
|
| 819 |
+
G "H2'" H N N 247
|
| 820 |
+
G "HO2'" H N N 248
|
| 821 |
+
G "H1'" H N N 249
|
| 822 |
+
G H8 H N N 250
|
| 823 |
+
G H1 H N N 251
|
| 824 |
+
G H21 H N N 252
|
| 825 |
+
G H22 H N N 253
|
| 826 |
+
PST P P N N 254
|
| 827 |
+
PST OP1 O N N 255
|
| 828 |
+
PST OP2 O N N 256
|
| 829 |
+
PST SP S N N 257
|
| 830 |
+
PST "O5'" O N N 258
|
| 831 |
+
PST "C5'" C N N 259
|
| 832 |
+
PST "C4'" C N R 260
|
| 833 |
+
PST "O4'" O N N 261
|
| 834 |
+
PST "C3'" C N S 262
|
| 835 |
+
PST "O3'" O N N 263
|
| 836 |
+
PST "C2'" C N N 264
|
| 837 |
+
PST "C1'" C N R 265
|
| 838 |
+
PST N1 N N N 266
|
| 839 |
+
PST C2 C N N 267
|
| 840 |
+
PST O2 O N N 268
|
| 841 |
+
PST N3 N N N 269
|
| 842 |
+
PST C4 C N N 270
|
| 843 |
+
PST O4 O N N 271
|
| 844 |
+
PST C5 C N N 272
|
| 845 |
+
PST C5M C N N 273
|
| 846 |
+
PST C6 C N N 274
|
| 847 |
+
PST HOP1 H N N 275
|
| 848 |
+
PST HOP2 H N N 276
|
| 849 |
+
PST "H5'" H N N 277
|
| 850 |
+
PST "H5''" H N N 278
|
| 851 |
+
PST "H4'" H N N 279
|
| 852 |
+
PST "H3'" H N N 280
|
| 853 |
+
PST HO3 H N N 281
|
| 854 |
+
PST "H2'" H N N 282
|
| 855 |
+
PST "H2''" H N N 283
|
| 856 |
+
PST "H1'" H N N 284
|
| 857 |
+
PST HN3 H N N 285
|
| 858 |
+
PST H71 H N N 286
|
| 859 |
+
PST H72 H N N 287
|
| 860 |
+
PST H73 H N N 288
|
| 861 |
+
PST H6 H N N 289
|
| 862 |
+
U OP3 O N N 290
|
| 863 |
+
U P P N N 291
|
| 864 |
+
U OP1 O N N 292
|
| 865 |
+
U OP2 O N N 293
|
| 866 |
+
U "O5'" O N N 294
|
| 867 |
+
U "C5'" C N N 295
|
| 868 |
+
U "C4'" C N R 296
|
| 869 |
+
U "O4'" O N N 297
|
| 870 |
+
U "C3'" C N S 298
|
| 871 |
+
U "O3'" O N N 299
|
| 872 |
+
U "C2'" C N R 300
|
| 873 |
+
U "O2'" O N N 301
|
| 874 |
+
U "C1'" C N R 302
|
| 875 |
+
U N1 N N N 303
|
| 876 |
+
U C2 C N N 304
|
| 877 |
+
U O2 O N N 305
|
| 878 |
+
U N3 N N N 306
|
| 879 |
+
U C4 C N N 307
|
| 880 |
+
U O4 O N N 308
|
| 881 |
+
U C5 C N N 309
|
| 882 |
+
U C6 C N N 310
|
| 883 |
+
U HOP3 H N N 311
|
| 884 |
+
U HOP2 H N N 312
|
| 885 |
+
U "H5'" H N N 313
|
| 886 |
+
U "H5''" H N N 314
|
| 887 |
+
U "H4'" H N N 315
|
| 888 |
+
U "H3'" H N N 316
|
| 889 |
+
U "HO3'" H N N 317
|
| 890 |
+
U "H2'" H N N 318
|
| 891 |
+
U "HO2'" H N N 319
|
| 892 |
+
U "H1'" H N N 320
|
| 893 |
+
U H3 H N N 321
|
| 894 |
+
U H5 H N N 322
|
| 895 |
+
U H6 H N N 323
|
| 896 |
+
#
|
| 897 |
+
loop_
|
| 898 |
+
_chem_comp_bond.comp_id
|
| 899 |
+
_chem_comp_bond.atom_id_1
|
| 900 |
+
_chem_comp_bond.atom_id_2
|
| 901 |
+
_chem_comp_bond.value_order
|
| 902 |
+
_chem_comp_bond.pdbx_aromatic_flag
|
| 903 |
+
_chem_comp_bond.pdbx_stereo_config
|
| 904 |
+
_chem_comp_bond.pdbx_ordinal
|
| 905 |
+
A OP3 P sing N N 1
|
| 906 |
+
A OP3 HOP3 sing N N 2
|
| 907 |
+
A P OP1 doub N N 3
|
| 908 |
+
A P OP2 sing N N 4
|
| 909 |
+
A P "O5'" sing N N 5
|
| 910 |
+
A OP2 HOP2 sing N N 6
|
| 911 |
+
A "O5'" "C5'" sing N N 7
|
| 912 |
+
A "C5'" "C4'" sing N N 8
|
| 913 |
+
A "C5'" "H5'" sing N N 9
|
| 914 |
+
A "C5'" "H5''" sing N N 10
|
| 915 |
+
A "C4'" "O4'" sing N N 11
|
| 916 |
+
A "C4'" "C3'" sing N N 12
|
| 917 |
+
A "C4'" "H4'" sing N N 13
|
| 918 |
+
A "O4'" "C1'" sing N N 14
|
| 919 |
+
A "C3'" "O3'" sing N N 15
|
| 920 |
+
A "C3'" "C2'" sing N N 16
|
| 921 |
+
A "C3'" "H3'" sing N N 17
|
| 922 |
+
A "O3'" "HO3'" sing N N 18
|
| 923 |
+
A "C2'" "O2'" sing N N 19
|
| 924 |
+
A "C2'" "C1'" sing N N 20
|
| 925 |
+
A "C2'" "H2'" sing N N 21
|
| 926 |
+
A "O2'" "HO2'" sing N N 22
|
| 927 |
+
A "C1'" N9 sing N N 23
|
| 928 |
+
A "C1'" "H1'" sing N N 24
|
| 929 |
+
A N9 C8 sing Y N 25
|
| 930 |
+
A N9 C4 sing Y N 26
|
| 931 |
+
A C8 N7 doub Y N 27
|
| 932 |
+
A C8 H8 sing N N 28
|
| 933 |
+
A N7 C5 sing Y N 29
|
| 934 |
+
A C5 C6 sing Y N 30
|
| 935 |
+
A C5 C4 doub Y N 31
|
| 936 |
+
A C6 N6 sing N N 32
|
| 937 |
+
A C6 N1 doub Y N 33
|
| 938 |
+
A N6 H61 sing N N 34
|
| 939 |
+
A N6 H62 sing N N 35
|
| 940 |
+
A N1 C2 sing Y N 36
|
| 941 |
+
A C2 N3 doub Y N 37
|
| 942 |
+
A C2 H2 sing N N 38
|
| 943 |
+
A N3 C4 sing Y N 39
|
| 944 |
+
C OP3 P sing N N 40
|
| 945 |
+
C OP3 HOP3 sing N N 41
|
| 946 |
+
C P OP1 doub N N 42
|
| 947 |
+
C P OP2 sing N N 43
|
| 948 |
+
C P "O5'" sing N N 44
|
| 949 |
+
C OP2 HOP2 sing N N 45
|
| 950 |
+
C "O5'" "C5'" sing N N 46
|
| 951 |
+
C "C5'" "C4'" sing N N 47
|
| 952 |
+
C "C5'" "H5'" sing N N 48
|
| 953 |
+
C "C5'" "H5''" sing N N 49
|
| 954 |
+
C "C4'" "O4'" sing N N 50
|
| 955 |
+
C "C4'" "C3'" sing N N 51
|
| 956 |
+
C "C4'" "H4'" sing N N 52
|
| 957 |
+
C "O4'" "C1'" sing N N 53
|
| 958 |
+
C "C3'" "O3'" sing N N 54
|
| 959 |
+
C "C3'" "C2'" sing N N 55
|
| 960 |
+
C "C3'" "H3'" sing N N 56
|
| 961 |
+
C "O3'" "HO3'" sing N N 57
|
| 962 |
+
C "C2'" "O2'" sing N N 58
|
| 963 |
+
C "C2'" "C1'" sing N N 59
|
| 964 |
+
C "C2'" "H2'" sing N N 60
|
| 965 |
+
C "O2'" "HO2'" sing N N 61
|
| 966 |
+
C "C1'" N1 sing N N 62
|
| 967 |
+
C "C1'" "H1'" sing N N 63
|
| 968 |
+
C N1 C2 sing N N 64
|
| 969 |
+
C N1 C6 sing N N 65
|
| 970 |
+
C C2 O2 doub N N 66
|
| 971 |
+
C C2 N3 sing N N 67
|
| 972 |
+
C N3 C4 doub N N 68
|
| 973 |
+
C C4 N4 sing N N 69
|
| 974 |
+
C C4 C5 sing N N 70
|
| 975 |
+
C N4 H41 sing N N 71
|
| 976 |
+
C N4 H42 sing N N 72
|
| 977 |
+
C C5 C6 doub N N 73
|
| 978 |
+
C C5 H5 sing N N 74
|
| 979 |
+
C C6 H6 sing N N 75
|
| 980 |
+
DA OP3 P sing N N 76
|
| 981 |
+
DA OP3 HOP3 sing N N 77
|
| 982 |
+
DA P OP1 doub N N 78
|
| 983 |
+
DA P OP2 sing N N 79
|
| 984 |
+
DA P "O5'" sing N N 80
|
| 985 |
+
DA OP2 HOP2 sing N N 81
|
| 986 |
+
DA "O5'" "C5'" sing N N 82
|
| 987 |
+
DA "C5'" "C4'" sing N N 83
|
| 988 |
+
DA "C5'" "H5'" sing N N 84
|
| 989 |
+
DA "C5'" "H5''" sing N N 85
|
| 990 |
+
DA "C4'" "O4'" sing N N 86
|
| 991 |
+
DA "C4'" "C3'" sing N N 87
|
| 992 |
+
DA "C4'" "H4'" sing N N 88
|
| 993 |
+
DA "O4'" "C1'" sing N N 89
|
| 994 |
+
DA "C3'" "O3'" sing N N 90
|
| 995 |
+
DA "C3'" "C2'" sing N N 91
|
| 996 |
+
DA "C3'" "H3'" sing N N 92
|
| 997 |
+
DA "O3'" "HO3'" sing N N 93
|
| 998 |
+
DA "C2'" "C1'" sing N N 94
|
| 999 |
+
DA "C2'" "H2'" sing N N 95
|
| 1000 |
+
DA "C2'" "H2''" sing N N 96
|
| 1001 |
+
DA "C1'" N9 sing N N 97
|
| 1002 |
+
DA "C1'" "H1'" sing N N 98
|
| 1003 |
+
DA N9 C8 sing Y N 99
|
| 1004 |
+
DA N9 C4 sing Y N 100
|
| 1005 |
+
DA C8 N7 doub Y N 101
|
| 1006 |
+
DA C8 H8 sing N N 102
|
| 1007 |
+
DA N7 C5 sing Y N 103
|
| 1008 |
+
DA C5 C6 sing Y N 104
|
| 1009 |
+
DA C5 C4 doub Y N 105
|
| 1010 |
+
DA C6 N6 sing N N 106
|
| 1011 |
+
DA C6 N1 doub Y N 107
|
| 1012 |
+
DA N6 H61 sing N N 108
|
| 1013 |
+
DA N6 H62 sing N N 109
|
| 1014 |
+
DA N1 C2 sing Y N 110
|
| 1015 |
+
DA C2 N3 doub Y N 111
|
| 1016 |
+
DA C2 H2 sing N N 112
|
| 1017 |
+
DA N3 C4 sing Y N 113
|
| 1018 |
+
DC OP3 P sing N N 114
|
| 1019 |
+
DC OP3 HOP3 sing N N 115
|
| 1020 |
+
DC P OP1 doub N N 116
|
| 1021 |
+
DC P OP2 sing N N 117
|
| 1022 |
+
DC P "O5'" sing N N 118
|
| 1023 |
+
DC OP2 HOP2 sing N N 119
|
| 1024 |
+
DC "O5'" "C5'" sing N N 120
|
| 1025 |
+
DC "C5'" "C4'" sing N N 121
|
| 1026 |
+
DC "C5'" "H5'" sing N N 122
|
| 1027 |
+
DC "C5'" "H5''" sing N N 123
|
| 1028 |
+
DC "C4'" "O4'" sing N N 124
|
| 1029 |
+
DC "C4'" "C3'" sing N N 125
|
| 1030 |
+
DC "C4'" "H4'" sing N N 126
|
| 1031 |
+
DC "O4'" "C1'" sing N N 127
|
| 1032 |
+
DC "C3'" "O3'" sing N N 128
|
| 1033 |
+
DC "C3'" "C2'" sing N N 129
|
| 1034 |
+
DC "C3'" "H3'" sing N N 130
|
| 1035 |
+
DC "O3'" "HO3'" sing N N 131
|
| 1036 |
+
DC "C2'" "C1'" sing N N 132
|
| 1037 |
+
DC "C2'" "H2'" sing N N 133
|
| 1038 |
+
DC "C2'" "H2''" sing N N 134
|
| 1039 |
+
DC "C1'" N1 sing N N 135
|
| 1040 |
+
DC "C1'" "H1'" sing N N 136
|
| 1041 |
+
DC N1 C2 sing N N 137
|
| 1042 |
+
DC N1 C6 sing N N 138
|
| 1043 |
+
DC C2 O2 doub N N 139
|
| 1044 |
+
DC C2 N3 sing N N 140
|
| 1045 |
+
DC N3 C4 doub N N 141
|
| 1046 |
+
DC C4 N4 sing N N 142
|
| 1047 |
+
DC C4 C5 sing N N 143
|
| 1048 |
+
DC N4 H41 sing N N 144
|
| 1049 |
+
DC N4 H42 sing N N 145
|
| 1050 |
+
DC C5 C6 doub N N 146
|
| 1051 |
+
DC C5 H5 sing N N 147
|
| 1052 |
+
DC C6 H6 sing N N 148
|
| 1053 |
+
DG OP3 P sing N N 149
|
| 1054 |
+
DG OP3 HOP3 sing N N 150
|
| 1055 |
+
DG P OP1 doub N N 151
|
| 1056 |
+
DG P OP2 sing N N 152
|
| 1057 |
+
DG P "O5'" sing N N 153
|
| 1058 |
+
DG OP2 HOP2 sing N N 154
|
| 1059 |
+
DG "O5'" "C5'" sing N N 155
|
| 1060 |
+
DG "C5'" "C4'" sing N N 156
|
| 1061 |
+
DG "C5'" "H5'" sing N N 157
|
| 1062 |
+
DG "C5'" "H5''" sing N N 158
|
| 1063 |
+
DG "C4'" "O4'" sing N N 159
|
| 1064 |
+
DG "C4'" "C3'" sing N N 160
|
| 1065 |
+
DG "C4'" "H4'" sing N N 161
|
| 1066 |
+
DG "O4'" "C1'" sing N N 162
|
| 1067 |
+
DG "C3'" "O3'" sing N N 163
|
| 1068 |
+
DG "C3'" "C2'" sing N N 164
|
| 1069 |
+
DG "C3'" "H3'" sing N N 165
|
| 1070 |
+
DG "O3'" "HO3'" sing N N 166
|
| 1071 |
+
DG "C2'" "C1'" sing N N 167
|
| 1072 |
+
DG "C2'" "H2'" sing N N 168
|
| 1073 |
+
DG "C2'" "H2''" sing N N 169
|
| 1074 |
+
DG "C1'" N9 sing N N 170
|
| 1075 |
+
DG "C1'" "H1'" sing N N 171
|
| 1076 |
+
DG N9 C8 sing Y N 172
|
| 1077 |
+
DG N9 C4 sing Y N 173
|
| 1078 |
+
DG C8 N7 doub Y N 174
|
| 1079 |
+
DG C8 H8 sing N N 175
|
| 1080 |
+
DG N7 C5 sing Y N 176
|
| 1081 |
+
DG C5 C6 sing N N 177
|
| 1082 |
+
DG C5 C4 doub Y N 178
|
| 1083 |
+
DG C6 O6 doub N N 179
|
| 1084 |
+
DG C6 N1 sing N N 180
|
| 1085 |
+
DG N1 C2 sing N N 181
|
| 1086 |
+
DG N1 H1 sing N N 182
|
| 1087 |
+
DG C2 N2 sing N N 183
|
| 1088 |
+
DG C2 N3 doub N N 184
|
| 1089 |
+
DG N2 H21 sing N N 185
|
| 1090 |
+
DG N2 H22 sing N N 186
|
| 1091 |
+
DG N3 C4 sing N N 187
|
| 1092 |
+
DT OP3 P sing N N 188
|
| 1093 |
+
DT OP3 HOP3 sing N N 189
|
| 1094 |
+
DT P OP1 doub N N 190
|
| 1095 |
+
DT P OP2 sing N N 191
|
| 1096 |
+
DT P "O5'" sing N N 192
|
| 1097 |
+
DT OP2 HOP2 sing N N 193
|
| 1098 |
+
DT "O5'" "C5'" sing N N 194
|
| 1099 |
+
DT "C5'" "C4'" sing N N 195
|
| 1100 |
+
DT "C5'" "H5'" sing N N 196
|
| 1101 |
+
DT "C5'" "H5''" sing N N 197
|
| 1102 |
+
DT "C4'" "O4'" sing N N 198
|
| 1103 |
+
DT "C4'" "C3'" sing N N 199
|
| 1104 |
+
DT "C4'" "H4'" sing N N 200
|
| 1105 |
+
DT "O4'" "C1'" sing N N 201
|
| 1106 |
+
DT "C3'" "O3'" sing N N 202
|
| 1107 |
+
DT "C3'" "C2'" sing N N 203
|
| 1108 |
+
DT "C3'" "H3'" sing N N 204
|
| 1109 |
+
DT "O3'" "HO3'" sing N N 205
|
| 1110 |
+
DT "C2'" "C1'" sing N N 206
|
| 1111 |
+
DT "C2'" "H2'" sing N N 207
|
| 1112 |
+
DT "C2'" "H2''" sing N N 208
|
| 1113 |
+
DT "C1'" N1 sing N N 209
|
| 1114 |
+
DT "C1'" "H1'" sing N N 210
|
| 1115 |
+
DT N1 C2 sing N N 211
|
| 1116 |
+
DT N1 C6 sing N N 212
|
| 1117 |
+
DT C2 O2 doub N N 213
|
| 1118 |
+
DT C2 N3 sing N N 214
|
| 1119 |
+
DT N3 C4 sing N N 215
|
| 1120 |
+
DT N3 H3 sing N N 216
|
| 1121 |
+
DT C4 O4 doub N N 217
|
| 1122 |
+
DT C4 C5 sing N N 218
|
| 1123 |
+
DT C5 C7 sing N N 219
|
| 1124 |
+
DT C5 C6 doub N N 220
|
| 1125 |
+
DT C7 H71 sing N N 221
|
| 1126 |
+
DT C7 H72 sing N N 222
|
| 1127 |
+
DT C7 H73 sing N N 223
|
| 1128 |
+
DT C6 H6 sing N N 224
|
| 1129 |
+
G OP3 P sing N N 225
|
| 1130 |
+
G OP3 HOP3 sing N N 226
|
| 1131 |
+
G P OP1 doub N N 227
|
| 1132 |
+
G P OP2 sing N N 228
|
| 1133 |
+
G P "O5'" sing N N 229
|
| 1134 |
+
G OP2 HOP2 sing N N 230
|
| 1135 |
+
G "O5'" "C5'" sing N N 231
|
| 1136 |
+
G "C5'" "C4'" sing N N 232
|
| 1137 |
+
G "C5'" "H5'" sing N N 233
|
| 1138 |
+
G "C5'" "H5''" sing N N 234
|
| 1139 |
+
G "C4'" "O4'" sing N N 235
|
| 1140 |
+
G "C4'" "C3'" sing N N 236
|
| 1141 |
+
G "C4'" "H4'" sing N N 237
|
| 1142 |
+
G "O4'" "C1'" sing N N 238
|
| 1143 |
+
G "C3'" "O3'" sing N N 239
|
| 1144 |
+
G "C3'" "C2'" sing N N 240
|
| 1145 |
+
G "C3'" "H3'" sing N N 241
|
| 1146 |
+
G "O3'" "HO3'" sing N N 242
|
| 1147 |
+
G "C2'" "O2'" sing N N 243
|
| 1148 |
+
G "C2'" "C1'" sing N N 244
|
| 1149 |
+
G "C2'" "H2'" sing N N 245
|
| 1150 |
+
G "O2'" "HO2'" sing N N 246
|
| 1151 |
+
G "C1'" N9 sing N N 247
|
| 1152 |
+
G "C1'" "H1'" sing N N 248
|
| 1153 |
+
G N9 C8 sing Y N 249
|
| 1154 |
+
G N9 C4 sing Y N 250
|
| 1155 |
+
G C8 N7 doub Y N 251
|
| 1156 |
+
G C8 H8 sing N N 252
|
| 1157 |
+
G N7 C5 sing Y N 253
|
| 1158 |
+
G C5 C6 sing N N 254
|
| 1159 |
+
G C5 C4 doub Y N 255
|
| 1160 |
+
G C6 O6 doub N N 256
|
| 1161 |
+
G C6 N1 sing N N 257
|
| 1162 |
+
G N1 C2 sing N N 258
|
| 1163 |
+
G N1 H1 sing N N 259
|
| 1164 |
+
G C2 N2 sing N N 260
|
| 1165 |
+
G C2 N3 doub N N 261
|
| 1166 |
+
G N2 H21 sing N N 262
|
| 1167 |
+
G N2 H22 sing N N 263
|
| 1168 |
+
G N3 C4 sing N N 264
|
| 1169 |
+
PST P OP1 sing N N 265
|
| 1170 |
+
PST P OP2 sing N N 266
|
| 1171 |
+
PST P SP doub N N 267
|
| 1172 |
+
PST P "O5'" sing N N 268
|
| 1173 |
+
PST OP1 HOP1 sing N N 269
|
| 1174 |
+
PST OP2 HOP2 sing N N 270
|
| 1175 |
+
PST "O5'" "C5'" sing N N 271
|
| 1176 |
+
PST "C5'" "C4'" sing N N 272
|
| 1177 |
+
PST "C5'" "H5'" sing N N 273
|
| 1178 |
+
PST "C5'" "H5''" sing N N 274
|
| 1179 |
+
PST "C4'" "O4'" sing N N 275
|
| 1180 |
+
PST "C4'" "C3'" sing N N 276
|
| 1181 |
+
PST "C4'" "H4'" sing N N 277
|
| 1182 |
+
PST "O4'" "C1'" sing N N 278
|
| 1183 |
+
PST "C3'" "O3'" sing N N 279
|
| 1184 |
+
PST "C3'" "C2'" sing N N 280
|
| 1185 |
+
PST "C3'" "H3'" sing N N 281
|
| 1186 |
+
PST "O3'" HO3 sing N N 282
|
| 1187 |
+
PST "C2'" "C1'" sing N N 283
|
| 1188 |
+
PST "C2'" "H2'" sing N N 284
|
| 1189 |
+
PST "C2'" "H2''" sing N N 285
|
| 1190 |
+
PST "C1'" N1 sing N N 286
|
| 1191 |
+
PST "C1'" "H1'" sing N N 287
|
| 1192 |
+
PST N1 C2 sing N N 288
|
| 1193 |
+
PST N1 C6 sing N N 289
|
| 1194 |
+
PST C2 O2 doub N N 290
|
| 1195 |
+
PST C2 N3 sing N N 291
|
| 1196 |
+
PST N3 C4 sing N N 292
|
| 1197 |
+
PST N3 HN3 sing N N 293
|
| 1198 |
+
PST C4 O4 doub N N 294
|
| 1199 |
+
PST C4 C5 sing N N 295
|
| 1200 |
+
PST C5 C5M sing N N 296
|
| 1201 |
+
PST C5 C6 doub N N 297
|
| 1202 |
+
PST C5M H71 sing N N 298
|
| 1203 |
+
PST C5M H72 sing N N 299
|
| 1204 |
+
PST C5M H73 sing N N 300
|
| 1205 |
+
PST C6 H6 sing N N 301
|
| 1206 |
+
U OP3 P sing N N 302
|
| 1207 |
+
U OP3 HOP3 sing N N 303
|
| 1208 |
+
U P OP1 doub N N 304
|
| 1209 |
+
U P OP2 sing N N 305
|
| 1210 |
+
U P "O5'" sing N N 306
|
| 1211 |
+
U OP2 HOP2 sing N N 307
|
| 1212 |
+
U "O5'" "C5'" sing N N 308
|
| 1213 |
+
U "C5'" "C4'" sing N N 309
|
| 1214 |
+
U "C5'" "H5'" sing N N 310
|
| 1215 |
+
U "C5'" "H5''" sing N N 311
|
| 1216 |
+
U "C4'" "O4'" sing N N 312
|
| 1217 |
+
U "C4'" "C3'" sing N N 313
|
| 1218 |
+
U "C4'" "H4'" sing N N 314
|
| 1219 |
+
U "O4'" "C1'" sing N N 315
|
| 1220 |
+
U "C3'" "O3'" sing N N 316
|
| 1221 |
+
U "C3'" "C2'" sing N N 317
|
| 1222 |
+
U "C3'" "H3'" sing N N 318
|
| 1223 |
+
U "O3'" "HO3'" sing N N 319
|
| 1224 |
+
U "C2'" "O2'" sing N N 320
|
| 1225 |
+
U "C2'" "C1'" sing N N 321
|
| 1226 |
+
U "C2'" "H2'" sing N N 322
|
| 1227 |
+
U "O2'" "HO2'" sing N N 323
|
| 1228 |
+
U "C1'" N1 sing N N 324
|
| 1229 |
+
U "C1'" "H1'" sing N N 325
|
| 1230 |
+
U N1 C2 sing N N 326
|
| 1231 |
+
U N1 C6 sing N N 327
|
| 1232 |
+
U C2 O2 doub N N 328
|
| 1233 |
+
U C2 N3 sing N N 329
|
| 1234 |
+
U N3 C4 sing N N 330
|
| 1235 |
+
U N3 H3 sing N N 331
|
| 1236 |
+
U C4 O4 doub N N 332
|
| 1237 |
+
U C4 C5 sing N N 333
|
| 1238 |
+
U C5 C6 doub N N 334
|
| 1239 |
+
U C5 H5 sing N N 335
|
| 1240 |
+
U C6 H6 sing N N 336
|
| 1241 |
+
#
|
| 1242 |
+
loop_
|
| 1243 |
+
_ndb_struct_conf_na.entry_id
|
| 1244 |
+
_ndb_struct_conf_na.feature
|
| 1245 |
+
219D 'double helix'
|
| 1246 |
+
219D 'a-form double helix'
|
| 1247 |
+
#
|
| 1248 |
+
loop_
|
| 1249 |
+
_ndb_struct_na_base_pair.model_number
|
| 1250 |
+
_ndb_struct_na_base_pair.i_label_asym_id
|
| 1251 |
+
_ndb_struct_na_base_pair.i_label_comp_id
|
| 1252 |
+
_ndb_struct_na_base_pair.i_label_seq_id
|
| 1253 |
+
_ndb_struct_na_base_pair.i_symmetry
|
| 1254 |
+
_ndb_struct_na_base_pair.j_label_asym_id
|
| 1255 |
+
_ndb_struct_na_base_pair.j_label_comp_id
|
| 1256 |
+
_ndb_struct_na_base_pair.j_label_seq_id
|
| 1257 |
+
_ndb_struct_na_base_pair.j_symmetry
|
| 1258 |
+
_ndb_struct_na_base_pair.shear
|
| 1259 |
+
_ndb_struct_na_base_pair.stretch
|
| 1260 |
+
_ndb_struct_na_base_pair.stagger
|
| 1261 |
+
_ndb_struct_na_base_pair.buckle
|
| 1262 |
+
_ndb_struct_na_base_pair.propeller
|
| 1263 |
+
_ndb_struct_na_base_pair.opening
|
| 1264 |
+
_ndb_struct_na_base_pair.pair_number
|
| 1265 |
+
_ndb_struct_na_base_pair.pair_name
|
| 1266 |
+
_ndb_struct_na_base_pair.i_auth_asym_id
|
| 1267 |
+
_ndb_struct_na_base_pair.i_auth_seq_id
|
| 1268 |
+
_ndb_struct_na_base_pair.i_PDB_ins_code
|
| 1269 |
+
_ndb_struct_na_base_pair.j_auth_asym_id
|
| 1270 |
+
_ndb_struct_na_base_pair.j_auth_seq_id
|
| 1271 |
+
_ndb_struct_na_base_pair.j_PDB_ins_code
|
| 1272 |
+
_ndb_struct_na_base_pair.hbond_type_28
|
| 1273 |
+
_ndb_struct_na_base_pair.hbond_type_12
|
| 1274 |
+
1 A DG 1 1_555 B C 10 1_555 -0.001 -0.118 0.068 -3.689 -15.806 -1.221 1 A_DG1:C20_B A 1 ? B 20 ? 19 1
|
| 1275 |
+
1 A DC 2 1_555 B G 9 1_555 0.349 -0.169 0.212 -4.601 -7.025 -2.376 2 A_DC2:G19_B A 2 ? B 19 ? 19 1
|
| 1276 |
+
1 A DT 3 1_555 B A 8 1_555 -0.399 -0.044 0.286 3.262 -4.037 -2.052 3 A_DT3:A18_B A 3 ? B 18 ? 20 1
|
| 1277 |
+
1 A DA 4 1_555 B U 7 1_555 0.185 -0.158 0.399 9.530 -11.483 -2.865 4 A_DA4:U17_B A 4 ? B 17 ? 20 1
|
| 1278 |
+
1 A DT 5 1_555 B A 6 1_555 -0.327 -0.089 -0.039 11.807 -21.481 -3.505 5 A_DT5:A16_B A 5 ? B 16 ? 20 1
|
| 1279 |
+
1 A DA 6 1_555 B U 5 1_555 0.209 -0.117 -0.552 4.214 -16.615 -5.491 6 A_DA6:U15_B A 6 ? B 15 ? 20 1
|
| 1280 |
+
1 A DA 7 1_555 B U 4 1_555 0.303 -0.085 0.027 0.726 -25.069 -6.868 7 A_DA7:U14_B A 7 ? B 14 ? 20 1
|
| 1281 |
+
1 A PST 8 1_555 B A 3 1_555 -0.218 -0.035 -0.128 11.397 -21.863 -6.744 8 A_PST8:A13_B A 8 ? B 13 ? 20 1
|
| 1282 |
+
1 A DG 9 1_555 B C 2 1_555 -0.099 -0.154 0.388 -2.083 -18.964 -4.127 9 A_DG9:C12_B A 9 ? B 12 ? 19 1
|
| 1283 |
+
1 A DG 10 1_555 B C 1 1_555 -0.317 -0.251 0.205 -10.690 -30.466 -3.993 10 A_DG10:C11_B A 10 ? B 11 ? 19 1
|
| 1284 |
+
#
|
| 1285 |
+
loop_
|
| 1286 |
+
_ndb_struct_na_base_pair_step.model_number
|
| 1287 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_1
|
| 1288 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_1
|
| 1289 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_1
|
| 1290 |
+
_ndb_struct_na_base_pair_step.i_symmetry_1
|
| 1291 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_1
|
| 1292 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_1
|
| 1293 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_1
|
| 1294 |
+
_ndb_struct_na_base_pair_step.j_symmetry_1
|
| 1295 |
+
_ndb_struct_na_base_pair_step.i_label_asym_id_2
|
| 1296 |
+
_ndb_struct_na_base_pair_step.i_label_comp_id_2
|
| 1297 |
+
_ndb_struct_na_base_pair_step.i_label_seq_id_2
|
| 1298 |
+
_ndb_struct_na_base_pair_step.i_symmetry_2
|
| 1299 |
+
_ndb_struct_na_base_pair_step.j_label_asym_id_2
|
| 1300 |
+
_ndb_struct_na_base_pair_step.j_label_comp_id_2
|
| 1301 |
+
_ndb_struct_na_base_pair_step.j_label_seq_id_2
|
| 1302 |
+
_ndb_struct_na_base_pair_step.j_symmetry_2
|
| 1303 |
+
_ndb_struct_na_base_pair_step.shift
|
| 1304 |
+
_ndb_struct_na_base_pair_step.slide
|
| 1305 |
+
_ndb_struct_na_base_pair_step.rise
|
| 1306 |
+
_ndb_struct_na_base_pair_step.tilt
|
| 1307 |
+
_ndb_struct_na_base_pair_step.roll
|
| 1308 |
+
_ndb_struct_na_base_pair_step.twist
|
| 1309 |
+
_ndb_struct_na_base_pair_step.x_displacement
|
| 1310 |
+
_ndb_struct_na_base_pair_step.y_displacement
|
| 1311 |
+
_ndb_struct_na_base_pair_step.helical_rise
|
| 1312 |
+
_ndb_struct_na_base_pair_step.inclination
|
| 1313 |
+
_ndb_struct_na_base_pair_step.tip
|
| 1314 |
+
_ndb_struct_na_base_pair_step.helical_twist
|
| 1315 |
+
_ndb_struct_na_base_pair_step.step_number
|
| 1316 |
+
_ndb_struct_na_base_pair_step.step_name
|
| 1317 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_1
|
| 1318 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_1
|
| 1319 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_1
|
| 1320 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_1
|
| 1321 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_1
|
| 1322 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_1
|
| 1323 |
+
_ndb_struct_na_base_pair_step.i_auth_asym_id_2
|
| 1324 |
+
_ndb_struct_na_base_pair_step.i_auth_seq_id_2
|
| 1325 |
+
_ndb_struct_na_base_pair_step.i_PDB_ins_code_2
|
| 1326 |
+
_ndb_struct_na_base_pair_step.j_auth_asym_id_2
|
| 1327 |
+
_ndb_struct_na_base_pair_step.j_auth_seq_id_2
|
| 1328 |
+
_ndb_struct_na_base_pair_step.j_PDB_ins_code_2
|
| 1329 |
+
1 A DG 1 1_555 B C 10 1_555 A DC 2 1_555 B G 9 1_555 -0.564 -1.525 3.123 -2.734 5.826 37.079 -3.066 0.546 2.892 9.077 4.260
|
| 1330 |
+
37.614 1 AA_DG1DC2:G19C20_BB A 1 ? B 20 ? A 2 ? B 19 ?
|
| 1331 |
+
1 A DC 2 1_555 B G 9 1_555 A DT 3 1_555 B A 8 1_555 -0.451 -1.438 2.876 -2.438 0.919 24.945 -3.549 0.405 2.852 2.119 5.625
|
| 1332 |
+
25.079 2 AA_DC2DT3:A18G19_BB A 2 ? B 19 ? A 3 ? B 18 ?
|
| 1333 |
+
1 A DT 3 1_555 B A 8 1_555 A DA 4 1_555 B U 7 1_555 -0.024 -1.565 2.719 -1.537 7.879 37.829 -3.126 -0.112 2.357 11.987 2.339
|
| 1334 |
+
38.641 3 AA_DT3DA4:U17A18_BB A 3 ? B 18 ? A 4 ? B 17 ?
|
| 1335 |
+
1 A DA 4 1_555 B U 7 1_555 A DT 5 1_555 B A 6 1_555 0.201 -1.332 3.168 2.590 -0.159 34.296 -2.228 0.053 3.180 -0.269 -4.384
|
| 1336 |
+
34.391 4 AA_DA4DT5:A16U17_BB A 4 ? B 17 ? A 5 ? B 16 ?
|
| 1337 |
+
1 A DT 5 1_555 B A 6 1_555 A DA 6 1_555 B U 5 1_555 -0.136 -1.155 3.491 8.572 25.310 31.846 -4.243 1.076 1.996 38.725
|
| 1338 |
+
-13.115 41.348 5 AA_DT5DA6:U15A16_BB A 5 ? B 16 ? A 6 ? B 15 ?
|
| 1339 |
+
1 A DA 6 1_555 B U 5 1_555 A DA 7 1_555 B U 4 1_555 0.085 -0.880 3.076 -6.461 6.848 33.899 -2.392 -1.023 2.788 11.473 10.824
|
| 1340 |
+
35.145 6 AA_DA6DA7:U14U15_BB A 6 ? B 15 ? A 7 ? B 14 ?
|
| 1341 |
+
1 A DA 7 1_555 B U 4 1_555 A PST 8 1_555 B A 3 1_555 -0.549 -0.202 2.897 1.007 -1.669 35.014 -0.114 1.044 2.887 -2.772 -1.671
|
| 1342 |
+
35.066 7 AA_DA7PST8:A13U14_BB A 7 ? B 14 ? A 8 ? B 13 ?
|
| 1343 |
+
1 A PST 8 1_555 B A 3 1_555 A DG 9 1_555 B C 2 1_555 0.092 -1.223 3.360 -3.007 12.624 33.130 -3.782 -0.575 2.711 21.156 5.039
|
| 1344 |
+
35.515 8 AA_PST8DG9:C12A13_BB A 8 ? B 13 ? A 9 ? B 12 ?
|
| 1345 |
+
1 A DG 9 1_555 B C 2 1_555 A DG 10 1_555 B C 1 1_555 0.109 -1.029 3.404 1.788 6.867 31.272 -3.112 0.128 3.114 12.537 -3.265
|
| 1346 |
+
32.048 9 AA_DG9DG10:C11C12_BB A 9 ? B 12 ? A 10 ? B 11 ?
|
| 1347 |
+
#
|
| 1348 |
+
_atom_sites.entry_id 219D
|
| 1349 |
+
_atom_sites.fract_transf_matrix[1][1] 1.000000
|
| 1350 |
+
_atom_sites.fract_transf_matrix[1][2] 0.000000
|
| 1351 |
+
_atom_sites.fract_transf_matrix[1][3] 0.000000
|
| 1352 |
+
_atom_sites.fract_transf_matrix[2][1] 0.000000
|
| 1353 |
+
_atom_sites.fract_transf_matrix[2][2] 1.000000
|
| 1354 |
+
_atom_sites.fract_transf_matrix[2][3] 0.000000
|
| 1355 |
+
_atom_sites.fract_transf_matrix[3][1] 0.000000
|
| 1356 |
+
_atom_sites.fract_transf_matrix[3][2] 0.000000
|
| 1357 |
+
_atom_sites.fract_transf_matrix[3][3] 1.000000
|
| 1358 |
+
_atom_sites.fract_transf_vector[1] 0.00000
|
| 1359 |
+
_atom_sites.fract_transf_vector[2] 0.00000
|
| 1360 |
+
_atom_sites.fract_transf_vector[3] 0.00000
|
| 1361 |
+
#
|
| 1362 |
+
loop_
|
| 1363 |
+
_atom_type.symbol
|
| 1364 |
+
C
|
| 1365 |
+
N
|
| 1366 |
+
O
|
| 1367 |
+
P
|
| 1368 |
+
S
|
| 1369 |
+
#
|
| 1370 |
+
loop_
|
| 1371 |
+
_atom_site.group_PDB
|
| 1372 |
+
_atom_site.id
|
| 1373 |
+
_atom_site.type_symbol
|
| 1374 |
+
_atom_site.label_atom_id
|
| 1375 |
+
_atom_site.label_alt_id
|
| 1376 |
+
_atom_site.label_comp_id
|
| 1377 |
+
_atom_site.label_asym_id
|
| 1378 |
+
_atom_site.label_entity_id
|
| 1379 |
+
_atom_site.label_seq_id
|
| 1380 |
+
_atom_site.pdbx_PDB_ins_code
|
| 1381 |
+
_atom_site.Cartn_x
|
| 1382 |
+
_atom_site.Cartn_y
|
| 1383 |
+
_atom_site.Cartn_z
|
| 1384 |
+
_atom_site.occupancy
|
| 1385 |
+
_atom_site.B_iso_or_equiv
|
| 1386 |
+
_atom_site.pdbx_formal_charge
|
| 1387 |
+
_atom_site.auth_seq_id
|
| 1388 |
+
_atom_site.auth_comp_id
|
| 1389 |
+
_atom_site.auth_asym_id
|
| 1390 |
+
_atom_site.auth_atom_id
|
| 1391 |
+
_atom_site.pdbx_PDB_model_num
|
| 1392 |
+
ATOM 1 O "O5'" . DG A 1 1 ? -4.865 -8.432 -13.042 1.00 4.40 ? 1 DG A "O5'" 1
|
| 1393 |
+
ATOM 2 C "C5'" . DG A 1 1 ? -3.884 -7.811 -12.241 1.00 4.40 ? 1 DG A "C5'" 1
|
| 1394 |
+
ATOM 3 C "C4'" . DG A 1 1 ? -3.584 -6.410 -12.772 1.00 4.40 ? 1 DG A "C4'" 1
|
| 1395 |
+
ATOM 4 O "O4'" . DG A 1 1 ? -4.701 -5.553 -12.718 1.00 4.40 ? 1 DG A "O4'" 1
|
| 1396 |
+
ATOM 5 C "C3'" . DG A 1 1 ? -2.537 -5.683 -11.938 1.00 4.40 ? 1 DG A "C3'" 1
|
| 1397 |
+
ATOM 6 O "O3'" . DG A 1 1 ? -1.254 -6.245 -12.073 1.00 4.40 ? 1 DG A "O3'" 1
|
| 1398 |
+
ATOM 7 C "C2'" . DG A 1 1 ? -2.681 -4.342 -12.599 1.00 4.40 ? 1 DG A "C2'" 1
|
| 1399 |
+
ATOM 8 C "C1'" . DG A 1 1 ? -4.169 -4.238 -12.795 1.00 4.40 ? 1 DG A "C1'" 1
|
| 1400 |
+
ATOM 9 N N9 . DG A 1 1 ? -4.862 -3.282 -11.907 1.00 4.40 ? 1 DG A N9 1
|
| 1401 |
+
ATOM 10 C C8 . DG A 1 1 ? -5.826 -3.531 -10.972 1.00 4.40 ? 1 DG A C8 1
|
| 1402 |
+
ATOM 11 N N7 . DG A 1 1 ? -6.331 -2.464 -10.414 1.00 4.40 ? 1 DG A N7 1
|
| 1403 |
+
ATOM 12 C C5 . DG A 1 1 ? -5.669 -1.419 -11.062 1.00 4.40 ? 1 DG A C5 1
|
| 1404 |
+
ATOM 13 C C6 . DG A 1 1 ? -5.809 -0.003 -10.939 1.00 4.40 ? 1 DG A C6 1
|
| 1405 |
+
ATOM 14 O O6 . DG A 1 1 ? -6.609 0.612 -10.235 1.00 4.40 ? 1 DG A O6 1
|
| 1406 |
+
ATOM 15 N N1 . DG A 1 1 ? -4.890 0.692 -11.707 1.00 4.40 ? 1 DG A N1 1
|
| 1407 |
+
ATOM 16 C C2 . DG A 1 1 ? -3.976 0.109 -12.545 1.00 4.40 ? 1 DG A C2 1
|
| 1408 |
+
ATOM 17 N N2 . DG A 1 1 ? -3.091 0.872 -13.169 1.00 4.40 ? 1 DG A N2 1
|
| 1409 |
+
ATOM 18 N N3 . DG A 1 1 ? -3.885 -1.210 -12.724 1.00 4.40 ? 1 DG A N3 1
|
| 1410 |
+
ATOM 19 C C4 . DG A 1 1 ? -4.753 -1.914 -11.955 1.00 4.40 ? 1 DG A C4 1
|
| 1411 |
+
ATOM 20 P P . DC A 1 2 ? -0.115 -5.915 -10.998 1.00 4.40 ? 2 DC A P 1
|
| 1412 |
+
ATOM 21 O OP1 . DC A 1 2 ? 1.044 -6.775 -11.309 1.00 4.40 ? 2 DC A OP1 1
|
| 1413 |
+
ATOM 22 O OP2 . DC A 1 2 ? -0.741 -5.999 -9.660 1.00 4.40 ? 2 DC A OP2 1
|
| 1414 |
+
ATOM 23 O "O5'" . DC A 1 2 ? 0.275 -4.386 -11.297 1.00 4.40 ? 2 DC A "O5'" 1
|
| 1415 |
+
ATOM 24 C "C5'" . DC A 1 2 ? 0.946 -4.003 -12.492 1.00 4.40 ? 2 DC A "C5'" 1
|
| 1416 |
+
ATOM 25 C "C4'" . DC A 1 2 ? 1.221 -2.490 -12.539 1.00 4.40 ? 2 DC A "C4'" 1
|
| 1417 |
+
ATOM 26 O "O4'" . DC A 1 2 ? 0.009 -1.792 -12.366 1.00 4.40 ? 2 DC A "O4'" 1
|
| 1418 |
+
ATOM 27 C "C3'" . DC A 1 2 ? 2.167 -2.048 -11.422 1.00 4.40 ? 2 DC A "C3'" 1
|
| 1419 |
+
ATOM 28 O "O3'" . DC A 1 2 ? 3.481 -1.917 -11.931 1.00 4.40 ? 2 DC A "O3'" 1
|
| 1420 |
+
ATOM 29 C "C2'" . DC A 1 2 ? 1.617 -0.676 -10.965 1.00 4.40 ? 2 DC A "C2'" 1
|
| 1421 |
+
ATOM 30 C "C1'" . DC A 1 2 ? 0.227 -0.635 -11.569 1.00 4.40 ? 2 DC A "C1'" 1
|
| 1422 |
+
ATOM 31 N N1 . DC A 1 2 ? -0.883 -0.386 -10.637 1.00 4.40 ? 2 DC A N1 1
|
| 1423 |
+
ATOM 32 C C2 . DC A 1 2 ? -1.288 0.903 -10.305 1.00 4.40 ? 2 DC A C2 1
|
| 1424 |
+
ATOM 33 O O2 . DC A 1 2 ? -0.671 1.894 -10.678 1.00 4.40 ? 2 DC A O2 1
|
| 1425 |
+
ATOM 34 N N3 . DC A 1 2 ? -2.390 1.053 -9.513 1.00 4.40 ? 2 DC A N3 1
|
| 1426 |
+
ATOM 35 C C4 . DC A 1 2 ? -3.080 -0.013 -9.106 1.00 4.40 ? 2 DC A C4 1
|
| 1427 |
+
ATOM 36 N N4 . DC A 1 2 ? -4.170 0.179 -8.380 1.00 4.40 ? 2 DC A N4 1
|
| 1428 |
+
ATOM 37 C C5 . DC A 1 2 ? -2.693 -1.343 -9.466 1.00 4.40 ? 2 DC A C5 1
|
| 1429 |
+
ATOM 38 C C6 . DC A 1 2 ? -1.590 -1.459 -10.224 1.00 4.40 ? 2 DC A C6 1
|
| 1430 |
+
ATOM 39 P P . DT A 1 3 ? 4.742 -1.519 -11.016 1.00 4.40 ? 3 DT A P 1
|
| 1431 |
+
ATOM 40 O OP1 . DT A 1 3 ? 5.911 -1.419 -11.917 1.00 4.40 ? 3 DT A OP1 1
|
| 1432 |
+
ATOM 41 O OP2 . DT A 1 3 ? 4.813 -2.497 -9.904 1.00 4.40 ? 3 DT A OP2 1
|
| 1433 |
+
ATOM 42 O "O5'" . DT A 1 3 ? 4.446 -0.066 -10.379 1.00 4.40 ? 3 DT A "O5'" 1
|
| 1434 |
+
ATOM 43 C "C5'" . DT A 1 3 ? 4.623 1.148 -11.103 1.00 4.40 ? 3 DT A "C5'" 1
|
| 1435 |
+
ATOM 44 C "C4'" . DT A 1 3 ? 4.249 2.385 -10.257 1.00 4.40 ? 3 DT A "C4'" 1
|
| 1436 |
+
ATOM 45 O "O4'" . DT A 1 3 ? 2.862 2.442 -9.981 1.00 4.40 ? 3 DT A "O4'" 1
|
| 1437 |
+
ATOM 46 C "C3'" . DT A 1 3 ? 5.001 2.457 -8.922 1.00 4.40 ? 3 DT A "C3'" 1
|
| 1438 |
+
ATOM 47 O "O3'" . DT A 1 3 ? 5.780 3.649 -8.852 1.00 4.40 ? 3 DT A "O3'" 1
|
| 1439 |
+
ATOM 48 C "C2'" . DT A 1 3 ? 3.860 2.510 -7.920 1.00 4.40 ? 3 DT A "C2'" 1
|
| 1440 |
+
ATOM 49 C "C1'" . DT A 1 3 ? 2.695 3.114 -8.742 1.00 4.40 ? 3 DT A "C1'" 1
|
| 1441 |
+
ATOM 50 N N1 . DT A 1 3 ? 1.402 2.698 -8.146 1.00 4.40 ? 3 DT A N1 1
|
| 1442 |
+
ATOM 51 C C2 . DT A 1 3 ? 0.532 3.619 -7.563 1.00 4.40 ? 3 DT A C2 1
|
| 1443 |
+
ATOM 52 O O2 . DT A 1 3 ? 0.737 4.829 -7.565 1.00 4.40 ? 3 DT A O2 1
|
| 1444 |
+
ATOM 53 N N3 . DT A 1 3 ? -0.603 3.097 -6.968 1.00 4.40 ? 3 DT A N3 1
|
| 1445 |
+
ATOM 54 C C4 . DT A 1 3 ? -0.878 1.763 -6.797 1.00 4.40 ? 3 DT A C4 1
|
| 1446 |
+
ATOM 55 O O4 . DT A 1 3 ? -1.858 1.400 -6.151 1.00 4.40 ? 3 DT A O4 1
|
| 1447 |
+
ATOM 56 C C5 . DT A 1 3 ? 0.067 0.868 -7.443 1.00 4.40 ? 3 DT A C5 1
|
| 1448 |
+
ATOM 57 C C7 . DT A 1 3 ? -0.081 -0.632 -7.327 1.00 4.40 ? 3 DT A C7 1
|
| 1449 |
+
ATOM 58 C C6 . DT A 1 3 ? 1.141 1.364 -8.093 1.00 4.40 ? 3 DT A C6 1
|
| 1450 |
+
ATOM 59 P P . DA A 1 4 ? 6.740 4.000 -7.597 1.00 4.40 ? 4 DA A P 1
|
| 1451 |
+
ATOM 60 O OP1 . DA A 1 4 ? 7.748 4.962 -8.091 1.00 4.40 ? 4 DA A OP1 1
|
| 1452 |
+
ATOM 61 O OP2 . DA A 1 4 ? 7.223 2.713 -7.042 1.00 4.40 ? 4 DA A OP2 1
|
| 1453 |
+
ATOM 62 O "O5'" . DA A 1 4 ? 5.857 4.745 -6.446 1.00 4.40 ? 4 DA A "O5'" 1
|
| 1454 |
+
ATOM 63 C "C5'" . DA A 1 4 ? 5.751 6.163 -6.406 1.00 4.40 ? 4 DA A "C5'" 1
|
| 1455 |
+
ATOM 64 C "C4'" . DA A 1 4 ? 4.760 6.760 -5.376 1.00 4.40 ? 4 DA A "C4'" 1
|
| 1456 |
+
ATOM 65 O "O4'" . DA A 1 4 ? 3.416 6.386 -5.665 1.00 4.40 ? 4 DA A "O4'" 1
|
| 1457 |
+
ATOM 66 C "C3'" . DA A 1 4 ? 5.018 6.486 -3.874 1.00 4.40 ? 4 DA A "C3'" 1
|
| 1458 |
+
ATOM 67 O "O3'" . DA A 1 4 ? 5.759 7.537 -3.247 1.00 4.40 ? 4 DA A "O3'" 1
|
| 1459 |
+
ATOM 68 C "C2'" . DA A 1 4 ? 3.583 6.505 -3.358 1.00 4.40 ? 4 DA A "C2'" 1
|
| 1460 |
+
ATOM 69 C "C1'" . DA A 1 4 ? 2.604 6.480 -4.498 1.00 4.40 ? 4 DA A "C1'" 1
|
| 1461 |
+
ATOM 70 N N9 . DA A 1 4 ? 1.699 5.315 -4.379 1.00 4.40 ? 4 DA A N9 1
|
| 1462 |
+
ATOM 71 C C8 . DA A 1 4 ? 2.041 4.021 -4.598 1.00 4.40 ? 4 DA A C8 1
|
| 1463 |
+
ATOM 72 N N7 . DA A 1 4 ? 1.141 3.124 -4.311 1.00 4.40 ? 4 DA A N7 1
|
| 1464 |
+
ATOM 73 C C5 . DA A 1 4 ? 0.114 3.916 -3.813 1.00 4.40 ? 4 DA A C5 1
|
| 1465 |
+
ATOM 74 C C6 . DA A 1 4 ? -1.133 3.601 -3.262 1.00 4.40 ? 4 DA A C6 1
|
| 1466 |
+
ATOM 75 N N6 . DA A 1 4 ? -1.610 2.360 -3.234 1.00 4.40 ? 4 DA A N6 1
|
| 1467 |
+
ATOM 76 N N1 . DA A 1 4 ? -1.846 4.575 -2.694 1.00 4.40 ? 4 DA A N1 1
|
| 1468 |
+
ATOM 77 C C2 . DA A 1 4 ? -1.383 5.816 -2.700 1.00 4.40 ? 4 DA A C2 1
|
| 1469 |
+
ATOM 78 N N3 . DA A 1 4 ? -0.238 6.256 -3.205 1.00 4.40 ? 4 DA A N3 1
|
| 1470 |
+
ATOM 79 C C4 . DA A 1 4 ? 0.463 5.245 -3.782 1.00 4.40 ? 4 DA A C4 1
|
| 1471 |
+
ATOM 80 P P . DT A 1 5 ? 6.145 7.544 -1.667 1.00 4.40 ? 5 DT A P 1
|
| 1472 |
+
ATOM 81 O OP1 . DT A 1 5 ? 7.090 8.665 -1.443 1.00 4.40 ? 5 DT A OP1 1
|
| 1473 |
+
ATOM 82 O OP2 . DT A 1 5 ? 6.569 6.177 -1.281 1.00 4.40 ? 5 DT A OP2 1
|
| 1474 |
+
ATOM 83 O "O5'" . DT A 1 5 ? 4.798 7.888 -0.833 1.00 4.40 ? 5 DT A "O5'" 1
|
| 1475 |
+
ATOM 84 C "C5'" . DT A 1 5 ? 4.190 9.171 -0.889 1.00 4.40 ? 5 DT A "C5'" 1
|
| 1476 |
+
ATOM 85 C "C4'" . DT A 1 5 ? 2.853 9.230 -0.121 1.00 4.40 ? 5 DT A "C4'" 1
|
| 1477 |
+
ATOM 86 O "O4'" . DT A 1 5 ? 1.983 8.273 -0.668 1.00 4.40 ? 5 DT A "O4'" 1
|
| 1478 |
+
ATOM 87 C "C3'" . DT A 1 5 ? 2.997 8.988 1.389 1.00 4.40 ? 5 DT A "C3'" 1
|
| 1479 |
+
ATOM 88 O "O3'" . DT A 1 5 ? 2.542 10.116 2.133 1.00 4.40 ? 5 DT A "O3'" 1
|
| 1480 |
+
ATOM 89 C "C2'" . DT A 1 5 ? 2.058 7.797 1.617 1.00 4.40 ? 5 DT A "C2'" 1
|
| 1481 |
+
ATOM 90 C "C1'" . DT A 1 5 ? 1.196 7.725 0.363 1.00 4.40 ? 5 DT A "C1'" 1
|
| 1482 |
+
ATOM 91 N N1 . DT A 1 5 ? 0.966 6.298 0.041 1.00 4.40 ? 5 DT A N1 1
|
| 1483 |
+
ATOM 92 C C2 . DT A 1 5 ? -0.225 5.665 0.379 1.00 4.40 ? 5 DT A C2 1
|
| 1484 |
+
ATOM 93 O O2 . DT A 1 5 ? -1.172 6.257 0.889 1.00 4.40 ? 5 DT A O2 1
|
| 1485 |
+
ATOM 94 N N3 . DT A 1 5 ? -0.274 4.304 0.147 1.00 4.40 ? 5 DT A N3 1
|
| 1486 |
+
ATOM 95 C C4 . DT A 1 5 ? 0.756 3.527 -0.339 1.00 4.40 ? 5 DT A C4 1
|
| 1487 |
+
ATOM 96 O O4 . DT A 1 5 ? 0.593 2.333 -0.568 1.00 4.40 ? 5 DT A O4 1
|
| 1488 |
+
ATOM 97 C C5 . DT A 1 5 ? 2.000 4.240 -0.534 1.00 4.40 ? 5 DT A C5 1
|
| 1489 |
+
ATOM 98 C C7 . DT A 1 5 ? 3.278 3.509 -0.867 1.00 4.40 ? 5 DT A C7 1
|
| 1490 |
+
ATOM 99 C C6 . DT A 1 5 ? 2.051 5.571 -0.355 1.00 4.40 ? 5 DT A C6 1
|
| 1491 |
+
ATOM 100 P P . DA A 1 6 ? 2.942 10.352 3.680 1.00 4.40 ? 6 DA A P 1
|
| 1492 |
+
ATOM 101 O OP1 . DA A 1 6 ? 2.214 11.564 4.128 1.00 4.40 ? 6 DA A OP1 1
|
| 1493 |
+
ATOM 102 O OP2 . DA A 1 6 ? 4.417 10.350 3.778 1.00 4.40 ? 6 DA A OP2 1
|
| 1494 |
+
ATOM 103 O "O5'" . DA A 1 6 ? 2.370 9.089 4.512 1.00 4.40 ? 6 DA A "O5'" 1
|
| 1495 |
+
ATOM 104 C "C5'" . DA A 1 6 ? 1.034 9.078 4.998 1.00 4.40 ? 6 DA A "C5'" 1
|
| 1496 |
+
ATOM 105 C "C4'" . DA A 1 6 ? 0.605 7.792 5.742 1.00 4.40 ? 6 DA A "C4'" 1
|
| 1497 |
+
ATOM 106 O "O4'" . DA A 1 6 ? 0.417 6.683 4.864 1.00 4.40 ? 6 DA A "O4'" 1
|
| 1498 |
+
ATOM 107 C "C3'" . DA A 1 6 ? 1.548 7.314 6.860 1.00 4.40 ? 6 DA A "C3'" 1
|
| 1499 |
+
ATOM 108 O "O3'" . DA A 1 6 ? 0.875 7.484 8.109 1.00 4.40 ? 6 DA A "O3'" 1
|
| 1500 |
+
ATOM 109 C "C2'" . DA A 1 6 ? 1.785 5.850 6.504 1.00 4.40 ? 6 DA A "C2'" 1
|
| 1501 |
+
ATOM 110 C "C1'" . DA A 1 6 ? 0.600 5.472 5.597 1.00 4.40 ? 6 DA A "C1'" 1
|
| 1502 |
+
ATOM 111 N N9 . DA A 1 6 ? 0.870 4.342 4.673 1.00 4.40 ? 6 DA A N9 1
|
| 1503 |
+
ATOM 112 C C8 . DA A 1 6 ? 1.977 4.156 3.897 1.00 4.40 ? 6 DA A C8 1
|
| 1504 |
+
ATOM 113 N N7 . DA A 1 6 ? 1.901 3.193 3.022 1.00 4.40 ? 6 DA A N7 1
|
| 1505 |
+
ATOM 114 C C5 . DA A 1 6 ? 0.663 2.629 3.320 1.00 4.40 ? 6 DA A C5 1
|
| 1506 |
+
ATOM 115 C C6 . DA A 1 6 ? 0.010 1.485 2.841 1.00 4.40 ? 6 DA A C6 1
|
| 1507 |
+
ATOM 116 N N6 . DA A 1 6 ? 0.535 0.761 1.861 1.00 4.40 ? 6 DA A N6 1
|
| 1508 |
+
ATOM 117 N N1 . DA A 1 6 ? -1.111 1.066 3.440 1.00 4.40 ? 6 DA A N1 1
|
| 1509 |
+
ATOM 118 C C2 . DA A 1 6 ? -1.611 1.785 4.439 1.00 4.40 ? 6 DA A C2 1
|
| 1510 |
+
ATOM 119 N N3 . DA A 1 6 ? -1.122 2.914 4.952 1.00 4.40 ? 6 DA A N3 1
|
| 1511 |
+
ATOM 120 C C4 . DA A 1 6 ? 0.045 3.278 4.358 1.00 4.40 ? 6 DA A C4 1
|
| 1512 |
+
ATOM 121 P P . DA A 1 7 ? 1.499 7.040 9.542 1.00 4.40 ? 7 DA A P 1
|
| 1513 |
+
ATOM 122 O OP1 . DA A 1 7 ? 0.863 7.900 10.562 1.00 4.40 ? 7 DA A OP1 1
|
| 1514 |
+
ATOM 123 O OP2 . DA A 1 7 ? 2.972 7.059 9.399 1.00 4.40 ? 7 DA A OP2 1
|
| 1515 |
+
ATOM 124 O "O5'" . DA A 1 7 ? 1.005 5.515 9.759 1.00 4.40 ? 7 DA A "O5'" 1
|
| 1516 |
+
ATOM 125 C "C5'" . DA A 1 7 ? -0.337 5.237 10.129 1.00 4.40 ? 7 DA A "C5'" 1
|
| 1517 |
+
ATOM 126 C "C4'" . DA A 1 7 ? -0.818 3.806 9.812 1.00 4.40 ? 7 DA A "C4'" 1
|
| 1518 |
+
ATOM 127 O "O4'" . DA A 1 7 ? -0.570 3.416 8.449 1.00 4.40 ? 7 DA A "O4'" 1
|
| 1519 |
+
ATOM 128 C "C3'" . DA A 1 7 ? -0.416 2.677 10.784 1.00 4.40 ? 7 DA A "C3'" 1
|
| 1520 |
+
ATOM 129 O "O3'" . DA A 1 7 ? -1.450 1.746 11.050 1.00 4.40 ? 7 DA A "O3'" 1
|
| 1521 |
+
ATOM 130 C "C2'" . DA A 1 7 ? 0.425 1.997 9.750 1.00 4.40 ? 7 DA A "C2'" 1
|
| 1522 |
+
ATOM 131 C "C1'" . DA A 1 7 ? -0.321 2.015 8.449 1.00 4.40 ? 7 DA A "C1'" 1
|
| 1523 |
+
ATOM 132 N N9 . DA A 1 7 ? 0.549 1.499 7.366 1.00 4.40 ? 7 DA A N9 1
|
| 1524 |
+
ATOM 133 C C8 . DA A 1 7 ? 1.756 1.993 6.975 1.00 4.40 ? 7 DA A C8 1
|
| 1525 |
+
ATOM 134 N N7 . DA A 1 7 ? 2.319 1.403 5.962 1.00 4.40 ? 7 DA A N7 1
|
| 1526 |
+
ATOM 135 C C5 . DA A 1 7 ? 1.440 0.356 5.726 1.00 4.40 ? 7 DA A C5 1
|
| 1527 |
+
ATOM 136 C C6 . DA A 1 7 ? 1.460 -0.685 4.792 1.00 4.40 ? 7 DA A C6 1
|
| 1528 |
+
ATOM 137 N N6 . DA A 1 7 ? 2.367 -0.711 3.821 1.00 4.40 ? 7 DA A N6 1
|
| 1529 |
+
ATOM 138 N N1 . DA A 1 7 ? 0.533 -1.643 4.854 1.00 4.40 ? 7 DA A N1 1
|
| 1530 |
+
ATOM 139 C C2 . DA A 1 7 ? -0.403 -1.556 5.795 1.00 4.40 ? 7 DA A C2 1
|
| 1531 |
+
ATOM 140 N N3 . DA A 1 7 ? -0.564 -0.602 6.706 1.00 4.40 ? 7 DA A N3 1
|
| 1532 |
+
ATOM 141 C C4 . DA A 1 7 ? 0.398 0.349 6.617 1.00 4.40 ? 7 DA A C4 1
|
| 1533 |
+
HETATM 142 P P . PST A 1 8 ? -2.444 1.824 12.306 1.00 4.40 ? 8 PST A P 1
|
| 1534 |
+
HETATM 143 O OP1 . PST A 1 8 ? -1.636 2.028 13.533 1.00 4.40 ? 8 PST A OP1 1
|
| 1535 |
+
HETATM 144 S SP . PST A 1 8 ? -4.043 3.152 11.835 1.00 4.40 ? 8 PST A SP 1
|
| 1536 |
+
HETATM 145 O "O5'" . PST A 1 8 ? -3.011 0.309 12.324 1.00 4.40 ? 8 PST A "O5'" 1
|
| 1537 |
+
HETATM 146 C "C5'" . PST A 1 8 ? -2.309 -0.738 12.978 1.00 4.40 ? 8 PST A "C5'" 1
|
| 1538 |
+
HETATM 147 C "C4'" . PST A 1 8 ? -2.236 -2.077 12.214 1.00 4.40 ? 8 PST A "C4'" 1
|
| 1539 |
+
HETATM 148 O "O4'" . PST A 1 8 ? -1.451 -1.904 11.044 1.00 4.40 ? 8 PST A "O4'" 1
|
| 1540 |
+
HETATM 149 C "C3'" . PST A 1 8 ? -1.508 -3.131 13.073 1.00 4.40 ? 8 PST A "C3'" 1
|
| 1541 |
+
HETATM 150 O "O3'" . PST A 1 8 ? -2.288 -4.281 13.368 1.00 4.40 ? 8 PST A "O3'" 1
|
| 1542 |
+
HETATM 151 C "C2'" . PST A 1 8 ? -0.260 -3.414 12.281 1.00 4.40 ? 8 PST A "C2'" 1
|
| 1543 |
+
HETATM 152 C "C1'" . PST A 1 8 ? -0.661 -3.059 10.856 1.00 4.40 ? 8 PST A "C1'" 1
|
| 1544 |
+
HETATM 153 N N1 . PST A 1 8 ? 0.507 -2.746 9.986 1.00 4.40 ? 8 PST A N1 1
|
| 1545 |
+
HETATM 154 C C2 . PST A 1 8 ? 0.702 -3.460 8.802 1.00 4.40 ? 8 PST A C2 1
|
| 1546 |
+
HETATM 155 O O2 . PST A 1 8 ? 0.040 -4.443 8.482 1.00 4.40 ? 8 PST A O2 1
|
| 1547 |
+
HETATM 156 N N3 . PST A 1 8 ? 1.736 -3.040 7.990 1.00 4.40 ? 8 PST A N3 1
|
| 1548 |
+
HETATM 157 C C4 . PST A 1 8 ? 2.628 -2.033 8.299 1.00 4.40 ? 8 PST A C4 1
|
| 1549 |
+
HETATM 158 O O4 . PST A 1 8 ? 3.491 -1.702 7.491 1.00 4.40 ? 8 PST A O4 1
|
| 1550 |
+
HETATM 159 C C5 . PST A 1 8 ? 2.428 -1.391 9.588 1.00 4.40 ? 8 PST A C5 1
|
| 1551 |
+
HETATM 160 C C5M . PST A 1 8 ? 3.476 -0.397 10.092 1.00 4.40 ? 8 PST A C5M 1
|
| 1552 |
+
HETATM 161 C C6 . PST A 1 8 ? 1.376 -1.757 10.363 1.00 4.40 ? 8 PST A C6 1
|
| 1553 |
+
ATOM 162 P P . DG A 1 9 ? -1.794 -5.439 14.377 1.00 4.40 ? 9 DG A P 1
|
| 1554 |
+
ATOM 163 O OP1 . DG A 1 9 ? -2.971 -6.237 14.785 1.00 4.40 ? 9 DG A OP1 1
|
| 1555 |
+
ATOM 164 O OP2 . DG A 1 9 ? -0.960 -4.830 15.443 1.00 4.40 ? 9 DG A OP2 1
|
| 1556 |
+
ATOM 165 O "O5'" . DG A 1 9 ? -0.842 -6.404 13.498 1.00 4.40 ? 9 DG A "O5'" 1
|
| 1557 |
+
ATOM 166 C "C5'" . DG A 1 9 ? -1.389 -7.164 12.434 1.00 4.40 ? 9 DG A "C5'" 1
|
| 1558 |
+
ATOM 167 C "C4'" . DG A 1 9 ? -0.365 -7.887 11.543 1.00 4.40 ? 9 DG A "C4'" 1
|
| 1559 |
+
ATOM 168 O "O4'" . DG A 1 9 ? 0.385 -6.990 10.731 1.00 4.40 ? 9 DG A "O4'" 1
|
| 1560 |
+
ATOM 169 C "C3'" . DG A 1 9 ? 0.629 -8.837 12.238 1.00 4.40 ? 9 DG A "C3'" 1
|
| 1561 |
+
ATOM 170 O "O3'" . DG A 1 9 ? 0.269 -10.179 11.911 1.00 4.40 ? 9 DG A "O3'" 1
|
| 1562 |
+
ATOM 171 C "C2'" . DG A 1 9 ? 1.962 -8.367 11.646 1.00 4.40 ? 9 DG A "C2'" 1
|
| 1563 |
+
ATOM 172 C "C1'" . DG A 1 9 ? 1.617 -7.604 10.372 1.00 4.40 ? 9 DG A "C1'" 1
|
| 1564 |
+
ATOM 173 N N9 . DG A 1 9 ? 2.636 -6.586 10.022 1.00 4.40 ? 9 DG A N9 1
|
| 1565 |
+
ATOM 174 C C8 . DG A 1 9 ? 2.909 -5.446 10.715 1.00 4.40 ? 9 DG A C8 1
|
| 1566 |
+
ATOM 175 N N7 . DG A 1 9 ? 3.791 -4.662 10.166 1.00 4.40 ? 9 DG A N7 1
|
| 1567 |
+
ATOM 176 C C5 . DG A 1 9 ? 4.163 -5.357 9.016 1.00 4.40 ? 9 DG A C5 1
|
| 1568 |
+
ATOM 177 C C6 . DG A 1 9 ? 5.131 -5.035 8.017 1.00 4.40 ? 9 DG A C6 1
|
| 1569 |
+
ATOM 178 O O6 . DG A 1 9 ? 5.830 -4.027 7.923 1.00 4.40 ? 9 DG A O6 1
|
| 1570 |
+
ATOM 179 N N1 . DG A 1 9 ? 5.291 -6.041 7.081 1.00 4.40 ? 9 DG A N1 1
|
| 1571 |
+
ATOM 180 C C2 . DG A 1 9 ? 4.576 -7.207 7.068 1.00 4.40 ? 9 DG A C2 1
|
| 1572 |
+
ATOM 181 N N2 . DG A 1 9 ? 4.849 -8.089 6.115 1.00 4.40 ? 9 DG A N2 1
|
| 1573 |
+
ATOM 182 N N3 . DG A 1 9 ? 3.664 -7.528 7.995 1.00 4.40 ? 9 DG A N3 1
|
| 1574 |
+
ATOM 183 C C4 . DG A 1 9 ? 3.492 -6.556 8.937 1.00 4.40 ? 9 DG A C4 1
|
| 1575 |
+
ATOM 184 P P . DG A 1 10 ? 1.039 -11.497 12.447 1.00 4.40 ? 10 DG A P 1
|
| 1576 |
+
ATOM 185 O OP1 . DG A 1 10 ? 0.108 -12.638 12.304 1.00 4.40 ? 10 DG A OP1 1
|
| 1577 |
+
ATOM 186 O OP2 . DG A 1 10 ? 1.644 -11.217 13.765 1.00 4.40 ? 10 DG A OP2 1
|
| 1578 |
+
ATOM 187 O "O5'" . DG A 1 10 ? 2.205 -11.692 11.365 1.00 4.40 ? 10 DG A "O5'" 1
|
| 1579 |
+
ATOM 188 C "C5'" . DG A 1 10 ? 3.497 -12.127 11.735 1.00 4.40 ? 10 DG A "C5'" 1
|
| 1580 |
+
ATOM 189 C "C4'" . DG A 1 10 ? 4.429 -11.929 10.536 1.00 4.40 ? 10 DG A "C4'" 1
|
| 1581 |
+
ATOM 190 O "O4'" . DG A 1 10 ? 4.518 -10.552 10.222 1.00 4.40 ? 10 DG A "O4'" 1
|
| 1582 |
+
ATOM 191 C "C3'" . DG A 1 10 ? 5.866 -12.387 10.798 1.00 4.40 ? 10 DG A "C3'" 1
|
| 1583 |
+
ATOM 192 O "O3'" . DG A 1 10 ? 6.055 -13.735 10.416 1.00 4.40 ? 10 DG A "O3'" 1
|
| 1584 |
+
ATOM 193 C "C2'" . DG A 1 10 ? 6.653 -11.448 9.870 1.00 4.40 ? 10 DG A "C2'" 1
|
| 1585 |
+
ATOM 194 C "C1'" . DG A 1 10 ? 5.679 -10.328 9.445 1.00 4.40 ? 10 DG A "C1'" 1
|
| 1586 |
+
ATOM 195 N N9 . DG A 1 10 ? 6.234 -8.987 9.719 1.00 4.40 ? 10 DG A N9 1
|
| 1587 |
+
ATOM 196 C C8 . DG A 1 10 ? 5.973 -8.177 10.786 1.00 4.40 ? 10 DG A C8 1
|
| 1588 |
+
ATOM 197 N N7 . DG A 1 10 ? 6.627 -7.052 10.790 1.00 4.40 ? 10 DG A N7 1
|
| 1589 |
+
ATOM 198 C C5 . DG A 1 10 ? 7.354 -7.099 9.606 1.00 4.40 ? 10 DG A C5 1
|
| 1590 |
+
ATOM 199 C C6 . DG A 1 10 ? 8.245 -6.144 9.036 1.00 4.40 ? 10 DG A C6 1
|
| 1591 |
+
ATOM 200 O O6 . DG A 1 10 ? 8.581 -5.048 9.480 1.00 4.40 ? 10 DG A O6 1
|
| 1592 |
+
ATOM 201 N N1 . DG A 1 10 ? 8.785 -6.578 7.843 1.00 4.40 ? 10 DG A N1 1
|
| 1593 |
+
ATOM 202 C C2 . DG A 1 10 ? 8.490 -7.763 7.231 1.00 4.40 ? 10 DG A C2 1
|
| 1594 |
+
ATOM 203 N N2 . DG A 1 10 ? 9.123 -8.046 6.097 1.00 4.40 ? 10 DG A N2 1
|
| 1595 |
+
ATOM 204 N N3 . DG A 1 10 ? 7.671 -8.680 7.761 1.00 4.40 ? 10 DG A N3 1
|
| 1596 |
+
ATOM 205 C C4 . DG A 1 10 ? 7.121 -8.278 8.940 1.00 4.40 ? 10 DG A C4 1
|
| 1597 |
+
ATOM 206 O "O5'" . C B 2 1 ? 15.353 -1.175 2.520 1.00 4.40 ? 11 C B "O5'" 1
|
| 1598 |
+
ATOM 207 C "C5'" . C B 2 1 ? 14.105 -1.580 1.998 1.00 4.40 ? 11 C B "C5'" 1
|
| 1599 |
+
ATOM 208 C "C4'" . C B 2 1 ? 13.846 -3.063 2.268 1.00 4.40 ? 11 C B "C4'" 1
|
| 1600 |
+
ATOM 209 O "O4'" . C B 2 1 ? 13.727 -3.340 3.656 1.00 4.40 ? 11 C B "O4'" 1
|
| 1601 |
+
ATOM 210 C "C3'" . C B 2 1 ? 12.554 -3.542 1.612 1.00 4.40 ? 11 C B "C3'" 1
|
| 1602 |
+
ATOM 211 O "O3'" . C B 2 1 ? 12.811 -3.874 0.267 1.00 4.40 ? 11 C B "O3'" 1
|
| 1603 |
+
ATOM 212 C "C2'" . C B 2 1 ? 12.309 -4.782 2.444 1.00 4.40 ? 11 C B "C2'" 1
|
| 1604 |
+
ATOM 213 O "O2'" . C B 2 1 ? 13.131 -5.807 1.922 1.00 4.40 ? 11 C B "O2'" 1
|
| 1605 |
+
ATOM 214 C "C1'" . C B 2 1 ? 12.767 -4.382 3.827 1.00 4.40 ? 11 C B "C1'" 1
|
| 1606 |
+
ATOM 215 N N1 . C B 2 1 ? 11.638 -3.965 4.702 1.00 4.40 ? 11 C B N1 1
|
| 1607 |
+
ATOM 216 C C2 . C B 2 1 ? 11.001 -4.925 5.483 1.00 4.40 ? 11 C B C2 1
|
| 1608 |
+
ATOM 217 O O2 . C B 2 1 ? 11.204 -6.128 5.341 1.00 4.40 ? 11 C B O2 1
|
| 1609 |
+
ATOM 218 N N3 . C B 2 1 ? 10.143 -4.511 6.450 1.00 4.40 ? 11 C B N3 1
|
| 1610 |
+
ATOM 219 C C4 . C B 2 1 ? 9.844 -3.225 6.607 1.00 4.40 ? 11 C B C4 1
|
| 1611 |
+
ATOM 220 N N4 . C B 2 1 ? 9.049 -2.887 7.613 1.00 4.40 ? 11 C B N4 1
|
| 1612 |
+
ATOM 221 C C5 . C B 2 1 ? 10.399 -2.223 5.750 1.00 4.40 ? 11 C B C5 1
|
| 1613 |
+
ATOM 222 C C6 . C B 2 1 ? 11.292 -2.649 4.825 1.00 4.40 ? 11 C B C6 1
|
| 1614 |
+
ATOM 223 P P . C B 2 2 ? 11.664 -3.707 -0.814 1.00 4.40 ? 12 C B P 1
|
| 1615 |
+
ATOM 224 O OP1 . C B 2 2 ? 12.228 -4.040 -2.137 1.00 4.40 ? 12 C B OP1 1
|
| 1616 |
+
ATOM 225 O OP2 . C B 2 2 ? 11.059 -2.378 -0.591 1.00 4.40 ? 12 C B OP2 1
|
| 1617 |
+
ATOM 226 O "O5'" . C B 2 2 ? 10.637 -4.837 -0.371 1.00 4.40 ? 12 C B "O5'" 1
|
| 1618 |
+
ATOM 227 C "C5'" . C B 2 2 ? 10.909 -6.193 -0.663 1.00 4.40 ? 12 C B "C5'" 1
|
| 1619 |
+
ATOM 228 C "C4'" . C B 2 2 ? 10.007 -7.121 0.152 1.00 4.40 ? 12 C B "C4'" 1
|
| 1620 |
+
ATOM 229 O "O4'" . C B 2 2 ? 10.063 -6.863 1.546 1.00 4.40 ? 12 C B "O4'" 1
|
| 1621 |
+
ATOM 230 C "C3'" . C B 2 2 ? 8.539 -7.022 -0.230 1.00 4.40 ? 12 C B "C3'" 1
|
| 1622 |
+
ATOM 231 O "O3'" . C B 2 2 ? 8.346 -7.714 -1.440 1.00 4.40 ? 12 C B "O3'" 1
|
| 1623 |
+
ATOM 232 C "C2'" . C B 2 2 ? 7.941 -7.724 0.985 1.00 4.40 ? 12 C B "C2'" 1
|
| 1624 |
+
ATOM 233 O "O2'" . C B 2 2 ? 8.080 -9.122 0.827 1.00 4.40 ? 12 C B "O2'" 1
|
| 1625 |
+
ATOM 234 C "C1'" . C B 2 2 ? 8.804 -7.200 2.118 1.00 4.40 ? 12 C B "C1'" 1
|
| 1626 |
+
ATOM 235 N N1 . C B 2 2 ? 8.188 -6.080 2.883 1.00 4.40 ? 12 C B N1 1
|
| 1627 |
+
ATOM 236 C C2 . C B 2 2 ? 7.325 -6.379 3.939 1.00 4.40 ? 12 C B C2 1
|
| 1628 |
+
ATOM 237 O O2 . C B 2 2 ? 6.923 -7.521 4.150 1.00 4.40 ? 12 C B O2 1
|
| 1629 |
+
ATOM 238 N N3 . C B 2 2 ? 6.917 -5.379 4.771 1.00 4.40 ? 12 C B N3 1
|
| 1630 |
+
ATOM 239 C C4 . C B 2 2 ? 7.274 -4.121 4.525 1.00 4.40 ? 12 C B C4 1
|
| 1631 |
+
ATOM 240 N N4 . C B 2 2 ? 6.900 -3.178 5.379 1.00 4.40 ? 12 C B N4 1
|
| 1632 |
+
ATOM 241 C C5 . C B 2 2 ? 8.118 -3.773 3.426 1.00 4.40 ? 12 C B C5 1
|
| 1633 |
+
ATOM 242 C C6 . C B 2 2 ? 8.549 -4.785 2.643 1.00 4.40 ? 12 C B C6 1
|
| 1634 |
+
ATOM 243 P P . A B 2 3 ? 6.933 -7.697 -2.130 1.00 4.40 ? 13 A B P 1
|
| 1635 |
+
ATOM 244 O OP1 . A B 2 3 ? 7.073 -8.331 -3.459 1.00 4.40 ? 13 A B OP1 1
|
| 1636 |
+
ATOM 245 O OP2 . A B 2 3 ? 6.424 -6.310 -2.042 1.00 4.40 ? 13 A B OP2 1
|
| 1637 |
+
ATOM 246 O "O5'" . A B 2 3 ? 6.113 -8.660 -1.146 1.00 4.40 ? 13 A B "O5'" 1
|
| 1638 |
+
ATOM 247 C "C5'" . A B 2 3 ? 4.702 -8.632 -1.109 1.00 4.40 ? 13 A B "C5'" 1
|
| 1639 |
+
ATOM 248 C "C4'" . A B 2 3 ? 4.198 -9.185 0.230 1.00 4.40 ? 13 A B "C4'" 1
|
| 1640 |
+
ATOM 249 O "O4'" . A B 2 3 ? 4.896 -8.618 1.326 1.00 4.40 ? 13 A B "O4'" 1
|
| 1641 |
+
ATOM 250 C "C3'" . A B 2 3 ? 2.745 -8.780 0.418 1.00 4.40 ? 13 A B "C3'" 1
|
| 1642 |
+
ATOM 251 O "O3'" . A B 2 3 ? 1.860 -9.791 -0.027 1.00 4.40 ? 13 A B "O3'" 1
|
| 1643 |
+
ATOM 252 C "C2'" . A B 2 3 ? 2.602 -8.588 1.902 1.00 4.40 ? 13 A B "C2'" 1
|
| 1644 |
+
ATOM 253 O "O2'" . A B 2 3 ? 2.147 -9.791 2.486 1.00 4.40 ? 13 A B "O2'" 1
|
| 1645 |
+
ATOM 254 C "C1'" . A B 2 3 ? 3.987 -8.217 2.340 1.00 4.40 ? 13 A B "C1'" 1
|
| 1646 |
+
ATOM 255 N N9 . A B 2 3 ? 4.039 -6.781 2.648 1.00 4.40 ? 13 A B N9 1
|
| 1647 |
+
ATOM 256 C C8 . A B 2 3 ? 4.700 -5.805 1.972 1.00 4.40 ? 13 A B C8 1
|
| 1648 |
+
ATOM 257 N N7 . A B 2 3 ? 4.708 -4.642 2.571 1.00 4.40 ? 13 A B N7 1
|
| 1649 |
+
ATOM 258 C C5 . A B 2 3 ? 3.904 -4.875 3.692 1.00 4.40 ? 13 A B C5 1
|
| 1650 |
+
ATOM 259 C C6 . A B 2 3 ? 3.488 -4.078 4.767 1.00 4.40 ? 13 A B C6 1
|
| 1651 |
+
ATOM 260 N N6 . A B 2 3 ? 3.977 -2.860 4.943 1.00 4.40 ? 13 A B N6 1
|
| 1652 |
+
ATOM 261 N N1 . A B 2 3 ? 2.590 -4.551 5.640 1.00 4.40 ? 13 A B N1 1
|
| 1653 |
+
ATOM 262 C C2 . A B 2 3 ? 2.136 -5.789 5.477 1.00 4.40 ? 13 A B C2 1
|
| 1654 |
+
ATOM 263 N N3 . A B 2 3 ? 2.507 -6.676 4.561 1.00 4.40 ? 13 A B N3 1
|
| 1655 |
+
ATOM 264 C C4 . A B 2 3 ? 3.418 -6.152 3.699 1.00 4.40 ? 13 A B C4 1
|
| 1656 |
+
ATOM 265 P P . U B 2 4 ? 1.051 -9.646 -1.384 1.00 4.40 ? 14 U B P 1
|
| 1657 |
+
ATOM 266 O OP1 . U B 2 4 ? 0.859 -10.984 -1.991 1.00 4.40 ? 14 U B OP1 1
|
| 1658 |
+
ATOM 267 O OP2 . U B 2 4 ? 1.610 -8.552 -2.190 1.00 4.40 ? 14 U B OP2 1
|
| 1659 |
+
ATOM 268 O "O5'" . U B 2 4 ? -0.367 -9.168 -0.852 1.00 4.40 ? 14 U B "O5'" 1
|
| 1660 |
+
ATOM 269 C "C5'" . U B 2 4 ? -1.066 -9.982 0.068 1.00 4.40 ? 14 U B "C5'" 1
|
| 1661 |
+
ATOM 270 C "C4'" . U B 2 4 ? -1.338 -9.218 1.359 1.00 4.40 ? 14 U B "C4'" 1
|
| 1662 |
+
ATOM 271 O "O4'" . U B 2 4 ? -0.229 -8.520 1.873 1.00 4.40 ? 14 U B "O4'" 1
|
| 1663 |
+
ATOM 272 C "C3'" . U B 2 4 ? -2.462 -8.221 1.234 1.00 4.40 ? 14 U B "C3'" 1
|
| 1664 |
+
ATOM 273 O "O3'" . U B 2 4 ? -3.652 -8.978 1.219 1.00 4.40 ? 14 U B "O3'" 1
|
| 1665 |
+
ATOM 274 C "C2'" . U B 2 4 ? -2.200 -7.410 2.511 1.00 4.40 ? 14 U B "C2'" 1
|
| 1666 |
+
ATOM 275 O "O2'" . U B 2 4 ? -2.946 -7.946 3.578 1.00 4.40 ? 14 U B "O2'" 1
|
| 1667 |
+
ATOM 276 C "C1'" . U B 2 4 ? -0.688 -7.476 2.731 1.00 4.40 ? 14 U B "C1'" 1
|
| 1668 |
+
ATOM 277 N N1 . U B 2 4 ? -0.104 -6.143 2.457 1.00 4.40 ? 14 U B N1 1
|
| 1669 |
+
ATOM 278 C C2 . U B 2 4 ? -0.176 -5.134 3.419 1.00 4.40 ? 14 U B C2 1
|
| 1670 |
+
ATOM 279 O O2 . U B 2 4 ? -0.783 -5.265 4.476 1.00 4.40 ? 14 U B O2 1
|
| 1671 |
+
ATOM 280 N N3 . U B 2 4 ? 0.495 -3.962 3.125 1.00 4.40 ? 14 U B N3 1
|
| 1672 |
+
ATOM 281 C C4 . U B 2 4 ? 1.169 -3.694 1.958 1.00 4.40 ? 14 U B C4 1
|
| 1673 |
+
ATOM 282 O O4 . U B 2 4 ? 1.784 -2.646 1.797 1.00 4.40 ? 14 U B O4 1
|
| 1674 |
+
ATOM 283 C C5 . U B 2 4 ? 1.090 -4.752 0.985 1.00 4.40 ? 14 U B C5 1
|
| 1675 |
+
ATOM 284 C C6 . U B 2 4 ? 0.474 -5.915 1.259 1.00 4.40 ? 14 U B C6 1
|
| 1676 |
+
ATOM 285 P P . U B 2 5 ? -5.019 -8.325 0.780 1.00 4.40 ? 15 U B P 1
|
| 1677 |
+
ATOM 286 O OP1 . U B 2 5 ? -5.977 -9.422 0.555 1.00 4.40 ? 15 U B OP1 1
|
| 1678 |
+
ATOM 287 O OP2 . U B 2 5 ? -4.723 -7.371 -0.315 1.00 4.40 ? 15 U B OP2 1
|
| 1679 |
+
ATOM 288 O "O5'" . U B 2 5 ? -5.369 -7.546 2.126 1.00 4.40 ? 15 U B "O5'" 1
|
| 1680 |
+
ATOM 289 C "C5'" . U B 2 5 ? -6.310 -6.497 2.132 1.00 4.40 ? 15 U B "C5'" 1
|
| 1681 |
+
ATOM 290 C "C4'" . U B 2 5 ? -6.155 -5.689 3.425 1.00 4.40 ? 15 U B "C4'" 1
|
| 1682 |
+
ATOM 291 O "O4'" . U B 2 5 ? -4.794 -5.492 3.795 1.00 4.40 ? 15 U B "O4'" 1
|
| 1683 |
+
ATOM 292 C "C3'" . U B 2 5 ? -6.751 -4.305 3.222 1.00 4.40 ? 15 U B "C3'" 1
|
| 1684 |
+
ATOM 293 O "O3'" . U B 2 5 ? -8.129 -4.344 3.517 1.00 4.40 ? 15 U B "O3'" 1
|
| 1685 |
+
ATOM 294 C "C2'" . U B 2 5 ? -5.981 -3.504 4.257 1.00 4.40 ? 15 U B "C2'" 1
|
| 1686 |
+
ATOM 295 O "O2'" . U B 2 5 ? -6.611 -3.698 5.508 1.00 4.40 ? 15 U B "O2'" 1
|
| 1687 |
+
ATOM 296 C "C1'" . U B 2 5 ? -4.600 -4.140 4.221 1.00 4.40 ? 15 U B "C1'" 1
|
| 1688 |
+
ATOM 297 N N1 . U B 2 5 ? -3.706 -3.369 3.310 1.00 4.40 ? 15 U B N1 1
|
| 1689 |
+
ATOM 298 C C2 . U B 2 5 ? -3.105 -2.202 3.781 1.00 4.40 ? 15 U B C2 1
|
| 1690 |
+
ATOM 299 O O2 . U B 2 5 ? -3.442 -1.648 4.822 1.00 4.40 ? 15 U B O2 1
|
| 1691 |
+
ATOM 300 N N3 . U B 2 5 ? -2.117 -1.653 2.991 1.00 4.40 ? 15 U B N3 1
|
| 1692 |
+
ATOM 301 C C4 . U B 2 5 ? -1.731 -2.128 1.757 1.00 4.40 ? 15 U B C4 1
|
| 1693 |
+
ATOM 302 O O4 . U B 2 5 ? -0.916 -1.536 1.061 1.00 4.40 ? 15 U B O4 1
|
| 1694 |
+
ATOM 303 C C5 . U B 2 5 ? -2.393 -3.330 1.328 1.00 4.40 ? 15 U B C5 1
|
| 1695 |
+
ATOM 304 C C6 . U B 2 5 ? -3.371 -3.874 2.089 1.00 4.40 ? 15 U B C6 1
|
| 1696 |
+
ATOM 305 P P . A B 2 6 ? -9.172 -3.516 2.655 1.00 4.40 ? 16 A B P 1
|
| 1697 |
+
ATOM 306 O OP1 . A B 2 6 ? -10.518 -3.784 3.206 1.00 4.40 ? 16 A B OP1 1
|
| 1698 |
+
ATOM 307 O OP2 . A B 2 6 ? -8.918 -3.768 1.220 1.00 4.40 ? 16 A B OP2 1
|
| 1699 |
+
ATOM 308 O "O5'" . A B 2 6 ? -8.792 -2.003 2.962 1.00 4.40 ? 16 A B "O5'" 1
|
| 1700 |
+
ATOM 309 C "C5'" . A B 2 6 ? -9.126 -1.405 4.197 1.00 4.40 ? 16 A B "C5'" 1
|
| 1701 |
+
ATOM 310 C "C4'" . A B 2 6 ? -8.398 -0.074 4.333 1.00 4.40 ? 16 A B "C4'" 1
|
| 1702 |
+
ATOM 311 O "O4'" . A B 2 6 ? -7.000 -0.297 4.196 1.00 4.40 ? 16 A B "O4'" 1
|
| 1703 |
+
ATOM 312 C "C3'" . A B 2 6 ? -8.804 0.948 3.270 1.00 4.40 ? 16 A B "C3'" 1
|
| 1704 |
+
ATOM 313 O "O3'" . A B 2 6 ? -9.902 1.749 3.690 1.00 4.40 ? 16 A B "O3'" 1
|
| 1705 |
+
ATOM 314 C "C2'" . A B 2 6 ? -7.510 1.755 3.150 1.00 4.40 ? 16 A B "C2'" 1
|
| 1706 |
+
ATOM 315 O "O2'" . A B 2 6 ? -7.579 2.919 3.948 1.00 4.40 ? 16 A B "O2'" 1
|
| 1707 |
+
ATOM 316 C "C1'" . A B 2 6 ? -6.393 0.839 3.605 1.00 4.40 ? 16 A B "C1'" 1
|
| 1708 |
+
ATOM 317 N N9 . A B 2 6 ? -5.449 0.527 2.516 1.00 4.40 ? 16 A B N9 1
|
| 1709 |
+
ATOM 318 C C8 . A B 2 6 ? -5.296 -0.601 1.770 1.00 4.40 ? 16 A B C8 1
|
| 1710 |
+
ATOM 319 N N7 . A B 2 6 ? -4.289 -0.575 0.940 1.00 4.40 ? 16 A B N7 1
|
| 1711 |
+
ATOM 320 C C5 . A B 2 6 ? -3.758 0.689 1.135 1.00 4.40 ? 16 A B C5 1
|
| 1712 |
+
ATOM 321 C C6 . A B 2 6 ? -2.685 1.388 0.563 1.00 4.40 ? 16 A B C6 1
|
| 1713 |
+
ATOM 322 N N6 . A B 2 6 ? -1.841 0.818 -0.290 1.00 4.40 ? 16 A B N6 1
|
| 1714 |
+
ATOM 323 N N1 . A B 2 6 ? -2.498 2.676 0.874 1.00 4.40 ? 16 A B N1 1
|
| 1715 |
+
ATOM 324 C C2 . A B 2 6 ? -3.303 3.231 1.768 1.00 4.40 ? 16 A B C2 1
|
| 1716 |
+
ATOM 325 N N3 . A B 2 6 ? -4.311 2.687 2.427 1.00 4.40 ? 16 A B N3 1
|
| 1717 |
+
ATOM 326 C C4 . A B 2 6 ? -4.486 1.389 2.057 1.00 4.40 ? 16 A B C4 1
|
| 1718 |
+
ATOM 327 P P . U B 2 7 ? -10.669 2.690 2.655 1.00 4.40 ? 17 U B P 1
|
| 1719 |
+
ATOM 328 O OP1 . U B 2 7 ? -11.961 3.053 3.271 1.00 4.40 ? 17 U B OP1 1
|
| 1720 |
+
ATOM 329 O OP2 . U B 2 7 ? -10.659 2.014 1.341 1.00 4.40 ? 17 U B OP2 1
|
| 1721 |
+
ATOM 330 O "O5'" . U B 2 7 ? -9.755 3.994 2.563 1.00 4.40 ? 17 U B "O5'" 1
|
| 1722 |
+
ATOM 331 C "C5'" . U B 2 7 ? -9.816 4.821 1.416 1.00 4.40 ? 17 U B "C5'" 1
|
| 1723 |
+
ATOM 332 C "C4'" . U B 2 7 ? -8.768 5.928 1.528 1.00 4.40 ? 17 U B "C4'" 1
|
| 1724 |
+
ATOM 333 O "O4'" . U B 2 7 ? -7.488 5.399 1.854 1.00 4.40 ? 17 U B "O4'" 1
|
| 1725 |
+
ATOM 334 C "C3'" . U B 2 7 ? -8.633 6.736 0.228 1.00 4.40 ? 17 U B "C3'" 1
|
| 1726 |
+
ATOM 335 O "O3'" . U B 2 7 ? -9.410 7.917 0.263 1.00 4.40 ? 17 U B "O3'" 1
|
| 1727 |
+
ATOM 336 C "C2'" . U B 2 7 ? -7.170 7.130 0.313 1.00 4.40 ? 17 U B "C2'" 1
|
| 1728 |
+
ATOM 337 O "O2'" . U B 2 7 ? -7.077 8.213 1.224 1.00 4.40 ? 17 U B "O2'" 1
|
| 1729 |
+
ATOM 338 C "C1'" . U B 2 7 ? -6.534 5.902 0.931 1.00 4.40 ? 17 U B "C1'" 1
|
| 1730 |
+
ATOM 339 N N1 . U B 2 7 ? -6.047 4.877 -0.025 1.00 4.40 ? 17 U B N1 1
|
| 1731 |
+
ATOM 340 C C2 . U B 2 7 ? -4.880 5.176 -0.723 1.00 4.40 ? 17 U B C2 1
|
| 1732 |
+
ATOM 341 O O2 . U B 2 7 ? -4.339 6.279 -0.690 1.00 4.40 ? 17 U B O2 1
|
| 1733 |
+
ATOM 342 N N3 . U B 2 7 ? -4.344 4.165 -1.473 1.00 4.40 ? 17 U B N3 1
|
| 1734 |
+
ATOM 343 C C4 . U B 2 7 ? -4.900 2.934 -1.688 1.00 4.40 ? 17 U B C4 1
|
| 1735 |
+
ATOM 344 O O4 . U B 2 7 ? -4.416 2.152 -2.498 1.00 4.40 ? 17 U B O4 1
|
| 1736 |
+
ATOM 345 C C5 . U B 2 7 ? -6.059 2.659 -0.883 1.00 4.40 ? 17 U B C5 1
|
| 1737 |
+
ATOM 346 C C6 . U B 2 7 ? -6.581 3.614 -0.075 1.00 4.40 ? 17 U B C6 1
|
| 1738 |
+
ATOM 347 P P . A B 2 8 ? -9.759 8.711 -1.078 1.00 4.40 ? 18 A B P 1
|
| 1739 |
+
ATOM 348 O OP1 . A B 2 8 ? -10.254 10.037 -0.658 1.00 4.40 ? 18 A B OP1 1
|
| 1740 |
+
ATOM 349 O OP2 . A B 2 8 ? -10.606 7.834 -1.911 1.00 4.40 ? 18 A B OP2 1
|
| 1741 |
+
ATOM 350 O "O5'" . A B 2 8 ? -8.360 8.916 -1.843 1.00 4.40 ? 18 A B "O5'" 1
|
| 1742 |
+
ATOM 351 C "C5'" . A B 2 8 ? -7.551 10.040 -1.576 1.00 4.40 ? 18 A B "C5'" 1
|
| 1743 |
+
ATOM 352 C "C4'" . A B 2 8 ? -6.331 10.116 -2.507 1.00 4.40 ? 18 A B "C4'" 1
|
| 1744 |
+
ATOM 353 O "O4'" . A B 2 8 ? -5.365 9.078 -2.340 1.00 4.40 ? 18 A B "O4'" 1
|
| 1745 |
+
ATOM 354 C "C3'" . A B 2 8 ? -6.704 10.269 -3.978 1.00 4.40 ? 18 A B "C3'" 1
|
| 1746 |
+
ATOM 355 O "O3'" . A B 2 8 ? -6.897 11.657 -4.208 1.00 4.40 ? 18 A B "O3'" 1
|
| 1747 |
+
ATOM 356 C "C2'" . A B 2 8 ? -5.436 9.699 -4.613 1.00 4.40 ? 18 A B "C2'" 1
|
| 1748 |
+
ATOM 357 O "O2'" . A B 2 8 ? -4.521 10.734 -4.913 1.00 4.40 ? 18 A B "O2'" 1
|
| 1749 |
+
ATOM 358 C "C1'" . A B 2 8 ? -4.801 8.762 -3.605 1.00 4.40 ? 18 A B "C1'" 1
|
| 1750 |
+
ATOM 359 N N9 . A B 2 8 ? -5.040 7.350 -3.928 1.00 4.40 ? 18 A B N9 1
|
| 1751 |
+
ATOM 360 C C8 . A B 2 8 ? -6.005 6.505 -3.489 1.00 4.40 ? 18 A B C8 1
|
| 1752 |
+
ATOM 361 N N7 . A B 2 8 ? -5.840 5.253 -3.846 1.00 4.40 ? 18 A B N7 1
|
| 1753 |
+
ATOM 362 C C5 . A B 2 8 ? -4.648 5.295 -4.571 1.00 4.40 ? 18 A B C5 1
|
| 1754 |
+
ATOM 363 C C6 . A B 2 8 ? -3.813 4.339 -5.195 1.00 4.40 ? 18 A B C6 1
|
| 1755 |
+
ATOM 364 N N6 . A B 2 8 ? -4.044 3.030 -5.150 1.00 4.40 ? 18 A B N6 1
|
| 1756 |
+
ATOM 365 N N1 . A B 2 8 ? -2.685 4.749 -5.807 1.00 4.40 ? 18 A B N1 1
|
| 1757 |
+
ATOM 366 C C2 . A B 2 8 ? -2.404 6.049 -5.801 1.00 4.40 ? 18 A B C2 1
|
| 1758 |
+
ATOM 367 N N3 . A B 2 8 ? -3.085 7.031 -5.265 1.00 4.40 ? 18 A B N3 1
|
| 1759 |
+
ATOM 368 C C4 . A B 2 8 ? -4.188 6.577 -4.648 1.00 4.40 ? 18 A B C4 1
|
| 1760 |
+
ATOM 369 P P . G B 2 9 ? -7.388 12.273 -5.596 1.00 4.40 ? 19 G B P 1
|
| 1761 |
+
ATOM 370 O OP1 . G B 2 9 ? -7.400 13.748 -5.475 1.00 4.40 ? 19 G B OP1 1
|
| 1762 |
+
ATOM 371 O OP2 . G B 2 9 ? -8.606 11.577 -6.050 1.00 4.40 ? 19 G B OP2 1
|
| 1763 |
+
ATOM 372 O "O5'" . G B 2 9 ? -6.232 11.923 -6.631 1.00 4.40 ? 19 G B "O5'" 1
|
| 1764 |
+
ATOM 373 C "C5'" . G B 2 9 ? -6.516 11.218 -7.816 1.00 4.40 ? 19 G B "C5'" 1
|
| 1765 |
+
ATOM 374 C "C4'" . G B 2 9 ? -5.192 10.760 -8.399 1.00 4.40 ? 19 G B "C4'" 1
|
| 1766 |
+
ATOM 375 O "O4'" . G B 2 9 ? -4.641 9.784 -7.543 1.00 4.40 ? 19 G B "O4'" 1
|
| 1767 |
+
ATOM 376 C "C3'" . G B 2 9 ? -5.361 10.091 -9.751 1.00 4.40 ? 19 G B "C3'" 1
|
| 1768 |
+
ATOM 377 O "O3'" . G B 2 9 ? -5.467 11.057 -10.779 1.00 4.40 ? 19 G B "O3'" 1
|
| 1769 |
+
ATOM 378 C "C2'" . G B 2 9 ? -4.072 9.271 -9.772 1.00 4.40 ? 19 G B "C2'" 1
|
| 1770 |
+
ATOM 379 O "O2'" . G B 2 9 ? -3.003 10.099 -10.184 1.00 4.40 ? 19 G B "O2'" 1
|
| 1771 |
+
ATOM 380 C "C1'" . G B 2 9 ? -3.932 8.836 -8.317 1.00 4.40 ? 19 G B "C1'" 1
|
| 1772 |
+
ATOM 381 N N9 . G B 2 9 ? -4.483 7.474 -8.159 1.00 4.40 ? 19 G B N9 1
|
| 1773 |
+
ATOM 382 C C8 . G B 2 9 ? -5.654 7.094 -7.576 1.00 4.40 ? 19 G B C8 1
|
| 1774 |
+
ATOM 383 N N7 . G B 2 9 ? -5.891 5.813 -7.590 1.00 4.40 ? 19 G B N7 1
|
| 1775 |
+
ATOM 384 C C5 . G B 2 9 ? -4.750 5.292 -8.195 1.00 4.40 ? 19 G B C5 1
|
| 1776 |
+
ATOM 385 C C6 . G B 2 9 ? -4.358 3.938 -8.419 1.00 4.40 ? 19 G B C6 1
|
| 1777 |
+
ATOM 386 O O6 . G B 2 9 ? -4.998 2.918 -8.164 1.00 4.40 ? 19 G B O6 1
|
| 1778 |
+
ATOM 387 N N1 . G B 2 9 ? -3.110 3.836 -9.003 1.00 4.40 ? 19 G B N1 1
|
| 1779 |
+
ATOM 388 C C2 . G B 2 9 ? -2.322 4.899 -9.348 1.00 4.40 ? 19 G B C2 1
|
| 1780 |
+
ATOM 389 N N2 . G B 2 9 ? -1.191 4.661 -9.998 1.00 4.40 ? 19 G B N2 1
|
| 1781 |
+
ATOM 390 N N3 . G B 2 9 ? -2.684 6.169 -9.163 1.00 4.40 ? 19 G B N3 1
|
| 1782 |
+
ATOM 391 C C4 . G B 2 9 ? -3.891 6.299 -8.557 1.00 4.40 ? 19 G B C4 1
|
| 1783 |
+
ATOM 392 P P . C B 2 10 ? -5.705 10.609 -12.284 1.00 4.40 ? 20 C B P 1
|
| 1784 |
+
ATOM 393 O OP1 . C B 2 10 ? -6.025 11.819 -13.071 1.00 4.40 ? 20 C B OP1 1
|
| 1785 |
+
ATOM 394 O OP2 . C B 2 10 ? -6.636 9.463 -12.273 1.00 4.40 ? 20 C B OP2 1
|
| 1786 |
+
ATOM 395 O "O5'" . C B 2 10 ? -4.248 10.106 -12.683 1.00 4.40 ? 20 C B "O5'" 1
|
| 1787 |
+
ATOM 396 C "C5'" . C B 2 10 ? -4.008 9.390 -13.874 1.00 4.40 ? 20 C B "C5'" 1
|
| 1788 |
+
ATOM 397 C "C4'" . C B 2 10 ? -2.688 8.641 -13.673 1.00 4.40 ? 20 C B "C4'" 1
|
| 1789 |
+
ATOM 398 O "O4'" . C B 2 10 ? -2.834 7.796 -12.541 1.00 4.40 ? 20 C B "O4'" 1
|
| 1790 |
+
ATOM 399 C "C3'" . C B 2 10 ? -2.353 7.738 -14.861 1.00 4.40 ? 20 C B "C3'" 1
|
| 1791 |
+
ATOM 400 O "O3'" . C B 2 10 ? -0.957 7.518 -14.917 1.00 4.40 ? 20 C B "O3'" 1
|
| 1792 |
+
ATOM 401 C "C2'" . C B 2 10 ? -3.085 6.458 -14.470 1.00 4.40 ? 20 C B "C2'" 1
|
| 1793 |
+
ATOM 402 O "O2'" . C B 2 10 ? -2.589 5.298 -15.108 1.00 4.40 ? 20 C B "O2'" 1
|
| 1794 |
+
ATOM 403 C "C1'" . C B 2 10 ? -2.936 6.446 -12.961 1.00 4.40 ? 20 C B "C1'" 1
|
| 1795 |
+
ATOM 404 N N1 . C B 2 10 ? -4.042 5.688 -12.318 1.00 4.40 ? 20 C B N1 1
|
| 1796 |
+
ATOM 405 C C2 . C B 2 10 ? -3.968 4.301 -12.321 1.00 4.40 ? 20 C B C2 1
|
| 1797 |
+
ATOM 406 O O2 . C B 2 10 ? -3.038 3.719 -12.877 1.00 4.40 ? 20 C B O2 1
|
| 1798 |
+
ATOM 407 N N3 . C B 2 10 ? -4.957 3.572 -11.730 1.00 4.40 ? 20 C B N3 1
|
| 1799 |
+
ATOM 408 C C4 . C B 2 10 ? -5.997 4.196 -11.180 1.00 4.40 ? 20 C B C4 1
|
| 1800 |
+
ATOM 409 N N4 . C B 2 10 ? -6.898 3.470 -10.532 1.00 4.40 ? 20 C B N4 1
|
| 1801 |
+
ATOM 410 C C5 . C B 2 10 ? -6.162 5.607 -11.260 1.00 4.40 ? 20 C B C5 1
|
| 1802 |
+
ATOM 411 C C6 . C B 2 10 ? -5.160 6.312 -11.834 1.00 4.40 ? 20 C B C6 1
|
| 1803 |
+
#
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