diff --git "a/structures/6e1w.cif" "b/structures/6e1w.cif" new file mode 100644--- /dev/null +++ "b/structures/6e1w.cif" @@ -0,0 +1,3270 @@ +data_6E1W +# +_entry.id 6E1W +# +_audit_conform.dict_name mmcif_pdbx.dic +_audit_conform.dict_version 5.387 +_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic +# +loop_ +_database_2.database_id +_database_2.database_code +_database_2.pdbx_database_accession +_database_2.pdbx_DOI +PDB 6E1W pdb_00006e1w 10.2210/pdb6e1w/pdb +WWPDB D_1000235535 ? ? +# +loop_ +_pdbx_audit_revision_history.ordinal +_pdbx_audit_revision_history.data_content_type +_pdbx_audit_revision_history.major_revision +_pdbx_audit_revision_history.minor_revision +_pdbx_audit_revision_history.revision_date +1 'Structure model' 1 0 2019-04-10 +2 'Structure model' 1 1 2019-04-17 +3 'Structure model' 2 0 2019-12-04 +4 'Structure model' 2 1 2024-03-13 +# +_pdbx_audit_revision_details.ordinal 1 +_pdbx_audit_revision_details.revision_ordinal 1 +_pdbx_audit_revision_details.data_content_type 'Structure model' +_pdbx_audit_revision_details.provider repository +_pdbx_audit_revision_details.type 'Initial release' +_pdbx_audit_revision_details.description ? +_pdbx_audit_revision_details.details ? +# +loop_ +_pdbx_audit_revision_group.ordinal +_pdbx_audit_revision_group.revision_ordinal +_pdbx_audit_revision_group.data_content_type +_pdbx_audit_revision_group.group +1 2 'Structure model' 'Data collection' +2 2 'Structure model' 'Database references' +3 3 'Structure model' 'Author supporting evidence' +4 3 'Structure model' 'Polymer sequence' +5 4 'Structure model' 'Data collection' +6 4 'Structure model' 'Database references' +7 4 'Structure model' 'Derived calculations' +# +loop_ +_pdbx_audit_revision_category.ordinal +_pdbx_audit_revision_category.revision_ordinal +_pdbx_audit_revision_category.data_content_type +_pdbx_audit_revision_category.category +1 2 'Structure model' citation +2 2 'Structure model' citation_author +3 3 'Structure model' entity_poly +4 3 'Structure model' pdbx_audit_support +5 4 'Structure model' chem_comp_atom +6 4 'Structure model' chem_comp_bond +7 4 'Structure model' database_2 +8 4 'Structure model' pdbx_struct_conn_angle +9 4 'Structure model' struct_conn +# +loop_ +_pdbx_audit_revision_item.ordinal +_pdbx_audit_revision_item.revision_ordinal +_pdbx_audit_revision_item.data_content_type +_pdbx_audit_revision_item.item +1 2 'Structure model' '_citation.page_first' +2 2 'Structure model' '_citation.page_last' +3 2 'Structure model' '_citation.pdbx_database_id_PubMed' +4 2 'Structure model' '_citation.title' +5 2 'Structure model' '_citation_author.name' +6 3 'Structure model' '_entity_poly.pdbx_seq_one_letter_code' +7 3 'Structure model' '_pdbx_audit_support.funding_organization' +8 4 'Structure model' '_database_2.pdbx_DOI' +9 4 'Structure model' '_database_2.pdbx_database_accession' +10 4 'Structure model' '_pdbx_struct_conn_angle.ptnr1_auth_seq_id' +11 4 'Structure model' '_pdbx_struct_conn_angle.ptnr3_auth_seq_id' +12 4 'Structure model' '_pdbx_struct_conn_angle.value' +13 4 'Structure model' '_struct_conn.pdbx_dist_value' +14 4 'Structure model' '_struct_conn.ptnr2_auth_seq_id' +# +_pdbx_database_status.status_code REL +_pdbx_database_status.status_code_sf REL +_pdbx_database_status.status_code_mr ? +_pdbx_database_status.entry_id 6E1W +_pdbx_database_status.recvd_initial_deposition_date 2018-07-10 +_pdbx_database_status.SG_entry N +_pdbx_database_status.deposit_site RCSB +_pdbx_database_status.process_site RCSB +_pdbx_database_status.status_code_cs ? +_pdbx_database_status.methods_development_category ? +_pdbx_database_status.pdb_format_compatible Y +_pdbx_database_status.status_code_nmr_data ? +# +loop_ +_audit_author.name +_audit_author.pdbx_ordinal +_audit_author.identifier_ORCID +'Numata, T.' 1 ? +'Connelly, C.M.' 2 ? +'Schneekloth, J.S.' 3 ? +;Ferre-D'Amare, A.R. +; +4 ? +# +_citation.abstract ? +_citation.abstract_id_CAS ? +_citation.book_id_ISBN ? +_citation.book_publisher ? +_citation.book_publisher_city ? +_citation.book_title ? +_citation.coordinate_linkage ? +_citation.country UK +_citation.database_id_Medline ? +_citation.details ? +_citation.id primary +_citation.journal_abbrev 'Nat Commun' +_citation.journal_id_ASTM ? +_citation.journal_id_CSD ? +_citation.journal_id_ISSN 2041-1723 +_citation.journal_full ? +_citation.journal_issue ? +_citation.journal_volume 10 +_citation.language ? +_citation.page_first 1501 +_citation.page_last 1501 +_citation.title +'Synthetic ligands for PreQ1riboswitches provide structural and mechanistic insights into targeting RNA tertiary structure.' +_citation.year 2019 +_citation.database_id_CSD ? +_citation.pdbx_database_id_DOI 10.1038/s41467-019-09493-3 +_citation.pdbx_database_id_PubMed 30940810 +_citation.unpublished_flag ? +# +loop_ +_citation_author.citation_id +_citation_author.name +_citation_author.ordinal +_citation_author.identifier_ORCID +primary 'Connelly, C.M.' 1 ? +primary 'Numata, T.' 2 ? +primary 'Boer, R.E.' 3 ? +primary 'Moon, M.H.' 4 ? +primary 'Sinniah, R.S.' 5 ? +primary 'Barchi, J.J.' 6 ? +primary +;Ferre-D'Amare, A.R. +; +7 ? +primary 'Schneekloth Jr., J.S.' 8 ? +# +loop_ +_entity.id +_entity.type +_entity.src_method +_entity.pdbx_description +_entity.formula_weight +_entity.pdbx_number_of_molecules +_entity.pdbx_ec +_entity.pdbx_mutation +_entity.pdbx_fragment +_entity.details +1 polymer syn 'RNA (33-MER)' 10333.194 1 ? ? ? ? +2 non-polymer syn '2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one' 179.179 1 ? ? ? ? +3 non-polymer syn 'ACETATE ION' 59.044 2 ? ? ? ? +4 non-polymer syn 'MAGNESIUM ION' 24.305 1 ? ? ? ? +5 water nat water 18.015 96 ? ? ? ? +# +_entity_poly.entity_id 1 +_entity_poly.type polyribonucleotide +_entity_poly.nstd_linkage no +_entity_poly.nstd_monomer no +_entity_poly.pdbx_seq_one_letter_code 'CUGGGUCGCAGU(N)(N)CCCCAGUUAACAAAACAAG' +_entity_poly.pdbx_seq_one_letter_code_can CUGGGUCGCAGUNNCCCCAGUUAACAAAACAAG +_entity_poly.pdbx_strand_id A +_entity_poly.pdbx_target_identifier ? +# +loop_ +_pdbx_entity_nonpoly.entity_id +_pdbx_entity_nonpoly.name +_pdbx_entity_nonpoly.comp_id +2 '2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one' HNG +3 'ACETATE ION' ACT +4 'MAGNESIUM ION' MG +5 water HOH +# +loop_ +_entity_poly_seq.entity_id +_entity_poly_seq.num +_entity_poly_seq.mon_id +_entity_poly_seq.hetero +1 1 C n +1 2 U n +1 3 G n +1 4 G n +1 5 G n +1 6 U n +1 7 C n +1 8 G n +1 9 C n +1 10 A n +1 11 G n +1 12 U n +1 13 N n +1 14 N n +1 15 C n +1 16 C n +1 17 C n +1 18 C n +1 19 A n +1 20 G n +1 21 U n +1 22 U n +1 23 A n +1 24 A n +1 25 C n +1 26 A n +1 27 A n +1 28 A n +1 29 A n +1 30 C n +1 31 A n +1 32 A n +1 33 G n +# +_pdbx_entity_src_syn.entity_id 1 +_pdbx_entity_src_syn.pdbx_src_id 1 +_pdbx_entity_src_syn.pdbx_alt_source_flag sample +_pdbx_entity_src_syn.pdbx_beg_seq_num 1 +_pdbx_entity_src_syn.pdbx_end_seq_num 33 +_pdbx_entity_src_syn.organism_scientific 'Caldanaerobacter subterraneus subsp. tengcongensis' +_pdbx_entity_src_syn.organism_common_name ? +_pdbx_entity_src_syn.ncbi_taxonomy_id 119072 +_pdbx_entity_src_syn.details ? +# +loop_ +_chem_comp.id +_chem_comp.type +_chem_comp.mon_nstd_flag +_chem_comp.name +_chem_comp.pdbx_synonyms +_chem_comp.formula +_chem_comp.formula_weight +A 'RNA linking' y "ADENOSINE-5'-MONOPHOSPHATE" ? +'C10 H14 N5 O7 P' 347.221 +ACT non-polymer . 'ACETATE ION' ? +'C2 H3 O2 -1' 59.044 +C 'RNA linking' y "CYTIDINE-5'-MONOPHOSPHATE" ? +'C9 H14 N3 O8 P' 323.197 +G 'RNA linking' y "GUANOSINE-5'-MONOPHOSPHATE" ? +'C10 H14 N5 O8 P' 363.221 +HNG non-polymer . '2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one' PreQ1 +'C7 H9 N5 O' 179.179 +HOH non-polymer . WATER ? +'H2 O' 18.015 +MG non-polymer . 'MAGNESIUM ION' ? +'Mg 2' 24.305 +N 'RNA linking' . +;ANY 5'-MONOPHOSPHATE NUCLEOTIDE +; +"1-DEOXY-RIBOFURANOSE-5'-PHOSPHATE" 'C5 H11 O7 P' 214.110 +U 'RNA linking' y "URIDINE-5'-MONOPHOSPHATE" ? +'C9 H13 N2 O9 P' 324.181 +# +loop_ +_pdbx_poly_seq_scheme.asym_id +_pdbx_poly_seq_scheme.entity_id +_pdbx_poly_seq_scheme.seq_id +_pdbx_poly_seq_scheme.mon_id +_pdbx_poly_seq_scheme.ndb_seq_num +_pdbx_poly_seq_scheme.pdb_seq_num +_pdbx_poly_seq_scheme.auth_seq_num +_pdbx_poly_seq_scheme.pdb_mon_id +_pdbx_poly_seq_scheme.auth_mon_id +_pdbx_poly_seq_scheme.pdb_strand_id +_pdbx_poly_seq_scheme.pdb_ins_code +_pdbx_poly_seq_scheme.hetero +A 1 1 C 1 1 1 C C A . n +A 1 2 U 2 2 2 U U A . n +A 1 3 G 3 3 3 G G A . n +A 1 4 G 4 4 4 G G A . n +A 1 5 G 5 5 5 G G A . n +A 1 6 U 6 6 6 U U A . n +A 1 7 C 7 7 7 C C A . n +A 1 8 G 8 8 8 G G A . n +A 1 9 C 9 9 9 C C A . n +A 1 10 A 10 10 10 A A A . n +A 1 11 G 11 11 11 G G A . n +A 1 12 U 12 12 12 U U A . n +A 1 13 N 13 13 13 N N A . n +A 1 14 N 14 14 14 N N A . n +A 1 15 C 15 15 15 C C A . n +A 1 16 C 16 16 16 C C A . n +A 1 17 C 17 17 17 C C A . n +A 1 18 C 18 18 18 C C A . n +A 1 19 A 19 19 19 A A A . n +A 1 20 G 20 20 20 G G A . n +A 1 21 U 21 21 21 U U A . n +A 1 22 U 22 22 22 U U A . n +A 1 23 A 23 23 23 A A A . n +A 1 24 A 24 24 24 A A A . n +A 1 25 C 25 25 25 C C A . n +A 1 26 A 26 26 26 A A A . n +A 1 27 A 27 27 27 A A A . n +A 1 28 A 28 28 28 A A A . n +A 1 29 A 29 29 29 A A A . n +A 1 30 C 30 30 30 C C A . n +A 1 31 A 31 31 31 A A A . n +A 1 32 A 32 32 32 A A A . n +A 1 33 G 33 33 33 G G A . n +# +loop_ +_pdbx_nonpoly_scheme.asym_id +_pdbx_nonpoly_scheme.entity_id +_pdbx_nonpoly_scheme.mon_id +_pdbx_nonpoly_scheme.ndb_seq_num +_pdbx_nonpoly_scheme.pdb_seq_num +_pdbx_nonpoly_scheme.auth_seq_num +_pdbx_nonpoly_scheme.pdb_mon_id +_pdbx_nonpoly_scheme.auth_mon_id +_pdbx_nonpoly_scheme.pdb_strand_id +_pdbx_nonpoly_scheme.pdb_ins_code +B 2 HNG 1 101 1 HNG PRF A . +C 3 ACT 1 102 1 ACT ACT A . +D 3 ACT 1 103 2 ACT ACT A . +E 4 MG 1 104 1 MG MG A . +F 5 HOH 1 201 90 HOH HOH A . +F 5 HOH 2 202 79 HOH HOH A . +F 5 HOH 3 203 88 HOH HOH A . +F 5 HOH 4 204 61 HOH HOH A . +F 5 HOH 5 205 37 HOH HOH A . +F 5 HOH 6 206 35 HOH HOH A . +F 5 HOH 7 207 13 HOH HOH A . +F 5 HOH 8 208 94 HOH HOH A . +F 5 HOH 9 209 77 HOH HOH A . +F 5 HOH 10 210 80 HOH HOH A . +F 5 HOH 11 211 67 HOH HOH A . +F 5 HOH 12 212 55 HOH HOH A . +F 5 HOH 13 213 91 HOH HOH A . +F 5 HOH 14 214 3 HOH HOH A . +F 5 HOH 15 215 52 HOH HOH A . +F 5 HOH 16 216 85 HOH HOH A . +F 5 HOH 17 217 22 HOH HOH A . +F 5 HOH 18 218 84 HOH HOH A . +F 5 HOH 19 219 17 HOH HOH A . +F 5 HOH 20 220 45 HOH HOH A . +F 5 HOH 21 221 16 HOH HOH A . +F 5 HOH 22 222 74 HOH HOH A . +F 5 HOH 23 223 46 HOH HOH A . +F 5 HOH 24 224 63 HOH HOH A . +F 5 HOH 25 225 49 HOH HOH A . +F 5 HOH 26 226 30 HOH HOH A . +F 5 HOH 27 227 26 HOH HOH A . +F 5 HOH 28 228 50 HOH HOH A . +F 5 HOH 29 229 59 HOH HOH A . +F 5 HOH 30 230 19 HOH HOH A . +F 5 HOH 31 231 48 HOH HOH A . +F 5 HOH 32 232 23 HOH HOH A . +F 5 HOH 33 233 78 HOH HOH A . +F 5 HOH 34 234 51 HOH HOH A . +F 5 HOH 35 235 83 HOH HOH A . +F 5 HOH 36 236 27 HOH HOH A . +F 5 HOH 37 237 40 HOH HOH A . +F 5 HOH 38 238 53 HOH HOH A . +F 5 HOH 39 239 44 HOH HOH A . +F 5 HOH 40 240 87 HOH HOH A . +F 5 HOH 41 241 2 HOH HOH A . +F 5 HOH 42 242 15 HOH HOH A . +F 5 HOH 43 243 72 HOH HOH A . +F 5 HOH 44 244 8 HOH HOH A . +F 5 HOH 45 245 92 HOH HOH A . +F 5 HOH 46 246 71 HOH HOH A . +F 5 HOH 47 247 43 HOH HOH A . +F 5 HOH 48 248 58 HOH HOH A . +F 5 HOH 49 249 68 HOH HOH A . +F 5 HOH 50 250 21 HOH HOH A . +F 5 HOH 51 251 82 HOH HOH A . +F 5 HOH 52 252 65 HOH HOH A . +F 5 HOH 53 253 31 HOH HOH A . +F 5 HOH 54 254 24 HOH HOH A . +F 5 HOH 55 255 64 HOH HOH A . +F 5 HOH 56 256 42 HOH HOH A . +F 5 HOH 57 257 73 HOH HOH A . +F 5 HOH 58 258 11 HOH HOH A . +F 5 HOH 59 259 75 HOH HOH A . +F 5 HOH 60 260 10 HOH HOH A . +F 5 HOH 61 261 14 HOH HOH A . +F 5 HOH 62 262 57 HOH HOH A . +F 5 HOH 63 263 81 HOH HOH A . +F 5 HOH 64 264 7 HOH HOH A . +F 5 HOH 65 265 6 HOH HOH A . +F 5 HOH 66 266 12 HOH HOH A . +F 5 HOH 67 267 56 HOH HOH A . +F 5 HOH 68 268 47 HOH HOH A . +F 5 HOH 69 269 20 HOH HOH A . +F 5 HOH 70 270 29 HOH HOH A . +F 5 HOH 71 271 5 HOH HOH A . +F 5 HOH 72 272 66 HOH HOH A . +F 5 HOH 73 273 32 HOH HOH A . +F 5 HOH 74 274 39 HOH HOH A . +F 5 HOH 75 275 1 HOH HOH A . +F 5 HOH 76 276 25 HOH HOH A . +F 5 HOH 77 277 4 HOH HOH A . +F 5 HOH 78 278 62 HOH HOH A . +F 5 HOH 79 279 86 HOH HOH A . +F 5 HOH 80 280 38 HOH HOH A . +F 5 HOH 81 281 36 HOH HOH A . +F 5 HOH 82 282 54 HOH HOH A . +F 5 HOH 83 283 70 HOH HOH A . +F 5 HOH 84 284 9 HOH HOH A . +F 5 HOH 85 285 41 HOH HOH A . +F 5 HOH 86 286 95 HOH HOH A . +F 5 HOH 87 287 34 HOH HOH A . +F 5 HOH 88 288 28 HOH HOH A . +F 5 HOH 89 289 18 HOH HOH A . +F 5 HOH 90 290 33 HOH HOH A . +F 5 HOH 91 291 60 HOH HOH A . +F 5 HOH 92 292 93 HOH HOH A . +F 5 HOH 93 293 69 HOH HOH A . +F 5 HOH 94 294 96 HOH HOH A . +F 5 HOH 95 295 76 HOH HOH A . +F 5 HOH 96 296 89 HOH HOH A . +# +loop_ +_software.citation_id +_software.classification +_software.compiler_name +_software.compiler_version +_software.contact_author +_software.contact_author_email +_software.date +_software.description +_software.dependencies +_software.hardware +_software.language +_software.location +_software.mods +_software.name +_software.os +_software.os_version +_software.type +_software.version +_software.pdbx_ordinal +? 'data scaling' ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? 0.5.32 1 +? phasing ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? 2.7.16 2 +? refinement ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? . 3 +? 'data extraction' ? ? ? ? ? ? ? ? ? ? ? PDB_EXTRACT ? ? ? 3.24 4 +? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS ? ? ? . 5 +# +_cell.angle_alpha 90.000 +_cell.angle_alpha_esd ? +_cell.angle_beta 90.000 +_cell.angle_beta_esd ? +_cell.angle_gamma 120.000 +_cell.angle_gamma_esd ? +_cell.entry_id 6E1W +_cell.details ? +_cell.formula_units_Z ? +_cell.length_a 52.297 +_cell.length_a_esd ? +_cell.length_b 52.297 +_cell.length_b_esd ? +_cell.length_c 179.215 +_cell.length_c_esd ? +_cell.volume ? +_cell.volume_esd ? +_cell.Z_PDB 12 +_cell.reciprocal_angle_alpha ? +_cell.reciprocal_angle_beta ? +_cell.reciprocal_angle_gamma ? +_cell.reciprocal_angle_alpha_esd ? +_cell.reciprocal_angle_beta_esd ? +_cell.reciprocal_angle_gamma_esd ? +_cell.reciprocal_length_a ? +_cell.reciprocal_length_b ? +_cell.reciprocal_length_c ? +_cell.reciprocal_length_a_esd ? +_cell.reciprocal_length_b_esd ? +_cell.reciprocal_length_c_esd ? +_cell.pdbx_unique_axis ? +# +_symmetry.entry_id 6E1W +_symmetry.cell_setting ? +_symmetry.Int_Tables_number 178 +_symmetry.space_group_name_Hall ? +_symmetry.space_group_name_H-M 'P 61 2 2' +_symmetry.pdbx_full_space_group_name_H-M ? +# +_exptl.absorpt_coefficient_mu ? +_exptl.absorpt_correction_T_max ? +_exptl.absorpt_correction_T_min ? +_exptl.absorpt_correction_type ? +_exptl.absorpt_process_details ? +_exptl.entry_id 6E1W +_exptl.crystals_number 1 +_exptl.details ? +_exptl.method 'X-RAY DIFFRACTION' +_exptl.method_details ? +# +_exptl_crystal.colour ? +_exptl_crystal.density_diffrn ? +_exptl_crystal.density_Matthews 3.25 +_exptl_crystal.density_method ? +_exptl_crystal.density_percent_sol 62.2 +_exptl_crystal.description ? +_exptl_crystal.F_000 ? +_exptl_crystal.id 1 +_exptl_crystal.preparation ? +_exptl_crystal.size_max ? +_exptl_crystal.size_mid ? +_exptl_crystal.size_min ? +_exptl_crystal.size_rad ? +_exptl_crystal.colour_lustre ? +_exptl_crystal.colour_modifier ? +_exptl_crystal.colour_primary ? +_exptl_crystal.density_meas ? +_exptl_crystal.density_meas_esd ? +_exptl_crystal.density_meas_gt ? +_exptl_crystal.density_meas_lt ? +_exptl_crystal.density_meas_temp ? +_exptl_crystal.density_meas_temp_esd ? +_exptl_crystal.density_meas_temp_gt ? +_exptl_crystal.density_meas_temp_lt ? +_exptl_crystal.pdbx_crystal_image_url ? +_exptl_crystal.pdbx_crystal_image_format ? +_exptl_crystal.pdbx_mosaicity ? +_exptl_crystal.pdbx_mosaicity_esd ? +# +_exptl_crystal_grow.apparatus ? +_exptl_crystal_grow.atmosphere ? +_exptl_crystal_grow.crystal_id 1 +_exptl_crystal_grow.details ? +_exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' +_exptl_crystal_grow.method_ref ? +_exptl_crystal_grow.pH 5.6 +_exptl_crystal_grow.pressure ? +_exptl_crystal_grow.pressure_esd ? +_exptl_crystal_grow.seeding ? +_exptl_crystal_grow.seeding_ref ? +_exptl_crystal_grow.temp 294 +_exptl_crystal_grow.temp_details ? +_exptl_crystal_grow.temp_esd ? +_exptl_crystal_grow.time ? +_exptl_crystal_grow.pdbx_details '0.01 M magnesium acetate, 0.05 M MES (pH 5.6), 2.7 M ammonium sulfate' +_exptl_crystal_grow.pdbx_pH_range ? +# +_diffrn.ambient_environment ? +_diffrn.ambient_temp 100 +_diffrn.ambient_temp_details ? +_diffrn.ambient_temp_esd ? +_diffrn.crystal_id 1 +_diffrn.crystal_support ? +_diffrn.crystal_treatment ? +_diffrn.details ? +_diffrn.id 1 +_diffrn.ambient_pressure ? +_diffrn.ambient_pressure_esd ? +_diffrn.ambient_pressure_gt ? +_diffrn.ambient_pressure_lt ? +_diffrn.ambient_temp_gt ? +_diffrn.ambient_temp_lt ? +# +_diffrn_detector.details ? +_diffrn_detector.detector PIXEL +_diffrn_detector.diffrn_id 1 +_diffrn_detector.type 'DECTRIS PILATUS3 6M' +_diffrn_detector.area_resol_mean ? +_diffrn_detector.dtime ? +_diffrn_detector.pdbx_frames_total ? +_diffrn_detector.pdbx_collection_time_total ? +_diffrn_detector.pdbx_collection_date 2017-09-12 +# +_diffrn_radiation.collimation ? +_diffrn_radiation.diffrn_id 1 +_diffrn_radiation.filter_edge ? +_diffrn_radiation.inhomogeneity ? +_diffrn_radiation.monochromator ? +_diffrn_radiation.polarisn_norm ? +_diffrn_radiation.polarisn_ratio ? +_diffrn_radiation.probe ? +_diffrn_radiation.type ? +_diffrn_radiation.xray_symbol ? +_diffrn_radiation.wavelength_id 1 +_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M +_diffrn_radiation.pdbx_wavelength_list ? +_diffrn_radiation.pdbx_wavelength ? +_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' +_diffrn_radiation.pdbx_analyzer ? +_diffrn_radiation.pdbx_scattering_type x-ray +# +_diffrn_radiation_wavelength.id 1 +_diffrn_radiation_wavelength.wavelength 1.0 +_diffrn_radiation_wavelength.wt 1.0 +# +_diffrn_source.current ? +_diffrn_source.details ? +_diffrn_source.diffrn_id 1 +_diffrn_source.power ? +_diffrn_source.size ? +_diffrn_source.source SYNCHROTRON +_diffrn_source.target ? +_diffrn_source.type 'ALS BEAMLINE 5.0.2' +_diffrn_source.voltage ? +_diffrn_source.take-off_angle ? +_diffrn_source.pdbx_wavelength_list 1.0 +_diffrn_source.pdbx_wavelength ? +_diffrn_source.pdbx_synchrotron_beamline 5.0.2 +_diffrn_source.pdbx_synchrotron_site ALS +# +_reflns.B_iso_Wilson_estimate 38.240 +_reflns.entry_id 6E1W +_reflns.data_reduction_details ? +_reflns.data_reduction_method ? +_reflns.d_resolution_high 1.690 +_reflns.d_resolution_low 44.800 +_reflns.details ? +_reflns.limit_h_max ? +_reflns.limit_h_min ? +_reflns.limit_k_max ? +_reflns.limit_k_min ? +_reflns.limit_l_max ? +_reflns.limit_l_min ? +_reflns.number_all ? +_reflns.number_obs 17169 +_reflns.observed_criterion ? +_reflns.observed_criterion_F_max ? +_reflns.observed_criterion_F_min ? +_reflns.observed_criterion_I_max ? +_reflns.observed_criterion_I_min ? +_reflns.observed_criterion_sigma_F ? +_reflns.observed_criterion_sigma_I ? +_reflns.percent_possible_obs 99.600 +_reflns.R_free_details ? +_reflns.Rmerge_F_all ? +_reflns.Rmerge_F_obs ? +_reflns.Friedel_coverage ? +_reflns.number_gt ? +_reflns.threshold_expression ? +_reflns.pdbx_redundancy 33.200 +_reflns.pdbx_Rmerge_I_obs 0.037 +_reflns.pdbx_Rmerge_I_all ? +_reflns.pdbx_Rsym_value ? +_reflns.pdbx_netI_over_av_sigmaI ? +_reflns.pdbx_netI_over_sigmaI 44.400 +_reflns.pdbx_res_netI_over_av_sigmaI_2 ? +_reflns.pdbx_res_netI_over_sigmaI_2 ? +_reflns.pdbx_chi_squared ? +_reflns.pdbx_scaling_rejects 1 +_reflns.pdbx_d_res_high_opt ? +_reflns.pdbx_d_res_low_opt ? +_reflns.pdbx_d_res_opt_method ? +_reflns.phase_calculation_details ? +_reflns.pdbx_Rrim_I_all 0.037 +_reflns.pdbx_Rpim_I_all 0.006 +_reflns.pdbx_d_opt ? +_reflns.pdbx_number_measured_all 569211 +_reflns.pdbx_diffrn_id 1 +_reflns.pdbx_ordinal 1 +_reflns.pdbx_CC_half 1.000 +_reflns.pdbx_R_split ? +# +loop_ +_reflns_shell.d_res_high +_reflns_shell.d_res_low +_reflns_shell.meanI_over_sigI_all +_reflns_shell.meanI_over_sigI_obs +_reflns_shell.number_measured_all +_reflns_shell.number_measured_obs +_reflns_shell.number_possible +_reflns_shell.number_unique_all +_reflns_shell.number_unique_obs +_reflns_shell.percent_possible_all +_reflns_shell.percent_possible_obs +_reflns_shell.Rmerge_F_all +_reflns_shell.Rmerge_F_obs +_reflns_shell.Rmerge_I_all +_reflns_shell.Rmerge_I_obs +_reflns_shell.meanI_over_sigI_gt +_reflns_shell.meanI_over_uI_all +_reflns_shell.meanI_over_uI_gt +_reflns_shell.number_measured_gt +_reflns_shell.number_unique_gt +_reflns_shell.percent_possible_gt +_reflns_shell.Rmerge_F_gt +_reflns_shell.Rmerge_I_gt +_reflns_shell.pdbx_redundancy +_reflns_shell.pdbx_Rsym_value +_reflns_shell.pdbx_chi_squared +_reflns_shell.pdbx_netI_over_sigmaI_all +_reflns_shell.pdbx_netI_over_sigmaI_obs +_reflns_shell.pdbx_Rrim_I_all +_reflns_shell.pdbx_Rpim_I_all +_reflns_shell.pdbx_rejects +_reflns_shell.pdbx_ordinal +_reflns_shell.pdbx_diffrn_id +_reflns_shell.pdbx_CC_half +_reflns_shell.pdbx_R_split +1.690 1.720 ? ? ? ? ? ? 783 96.200 ? ? ? ? 1.411 ? ? ? ? ? ? ? ? 19.000 ? ? ? ? 1.450 0.326 ? 1 1 0.671 ? +9.100 44.800 ? ? ? ? ? ? 165 99.700 ? ? ? ? 0.025 ? ? ? ? ? ? ? ? 23.200 ? ? ? ? 0.026 0.006 ? 2 1 1.000 ? +# +_refine.aniso_B[1][1] ? +_refine.aniso_B[1][2] ? +_refine.aniso_B[1][3] ? +_refine.aniso_B[2][2] ? +_refine.aniso_B[2][3] ? +_refine.aniso_B[3][3] ? +_refine.B_iso_max 95.990 +_refine.B_iso_mean 49.1728 +_refine.B_iso_min 33.210 +_refine.correlation_coeff_Fo_to_Fc ? +_refine.correlation_coeff_Fo_to_Fc_free ? +_refine.details ? +_refine.diff_density_max ? +_refine.diff_density_max_esd ? +_refine.diff_density_min ? +_refine.diff_density_min_esd ? +_refine.diff_density_rms ? +_refine.diff_density_rms_esd ? +_refine.entry_id 6E1W +_refine.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine.ls_abs_structure_details ? +_refine.ls_abs_structure_Flack ? +_refine.ls_abs_structure_Flack_esd ? +_refine.ls_abs_structure_Rogers ? +_refine.ls_abs_structure_Rogers_esd ? +_refine.ls_d_res_high 1.6900 +_refine.ls_d_res_low 43.9100 +_refine.ls_extinction_coef ? +_refine.ls_extinction_coef_esd ? +_refine.ls_extinction_expression ? +_refine.ls_extinction_method ? +_refine.ls_goodness_of_fit_all ? +_refine.ls_goodness_of_fit_all_esd ? +_refine.ls_goodness_of_fit_obs ? +_refine.ls_goodness_of_fit_obs_esd ? +_refine.ls_hydrogen_treatment ? +_refine.ls_matrix_type ? +_refine.ls_number_constraints ? +_refine.ls_number_parameters ? +_refine.ls_number_reflns_all ? +_refine.ls_number_reflns_obs 17086 +_refine.ls_number_reflns_R_free 854 +_refine.ls_number_reflns_R_work ? +_refine.ls_number_restraints ? +_refine.ls_percent_reflns_obs 99.5500 +_refine.ls_percent_reflns_R_free 5.0000 +_refine.ls_R_factor_all ? +_refine.ls_R_factor_obs 0.1820 +_refine.ls_R_factor_R_free 0.2101 +_refine.ls_R_factor_R_free_error ? +_refine.ls_R_factor_R_free_error_details ? +_refine.ls_R_factor_R_work 0.1805 +_refine.ls_R_Fsqd_factor_obs ? +_refine.ls_R_I_factor_obs ? +_refine.ls_redundancy_reflns_all ? +_refine.ls_redundancy_reflns_obs ? +_refine.ls_restrained_S_all ? +_refine.ls_restrained_S_obs ? +_refine.ls_shift_over_esd_max ? +_refine.ls_shift_over_esd_mean ? +_refine.ls_structure_factor_coef ? +_refine.ls_weighting_details ? +_refine.ls_weighting_scheme ? +_refine.ls_wR_factor_all ? +_refine.ls_wR_factor_obs ? +_refine.ls_wR_factor_R_free ? +_refine.ls_wR_factor_R_work ? +_refine.occupancy_max ? +_refine.occupancy_min ? +_refine.solvent_model_details ? +_refine.solvent_model_param_bsol ? +_refine.solvent_model_param_ksol ? +_refine.ls_R_factor_gt ? +_refine.ls_goodness_of_fit_gt ? +_refine.ls_goodness_of_fit_ref ? +_refine.ls_shift_over_su_max ? +_refine.ls_shift_over_su_max_lt ? +_refine.ls_shift_over_su_mean ? +_refine.ls_shift_over_su_mean_lt ? +_refine.pdbx_ls_sigma_I ? +_refine.pdbx_ls_sigma_F 1.330 +_refine.pdbx_ls_sigma_Fsqd ? +_refine.pdbx_data_cutoff_high_absF ? +_refine.pdbx_data_cutoff_high_rms_absF ? +_refine.pdbx_data_cutoff_low_absF ? +_refine.pdbx_isotropic_thermal_model ? +_refine.pdbx_ls_cross_valid_method THROUGHOUT +_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' +_refine.pdbx_starting_model ? +_refine.pdbx_stereochemistry_target_values ? +_refine.pdbx_R_Free_selection_details ? +_refine.pdbx_stereochem_target_val_spec_case ? +_refine.pdbx_overall_ESU_R ? +_refine.pdbx_overall_ESU_R_Free ? +_refine.pdbx_solvent_vdw_probe_radii 1.1100 +_refine.pdbx_solvent_ion_probe_radii ? +_refine.pdbx_solvent_shrinkage_radii 0.9000 +_refine.pdbx_real_space_R ? +_refine.pdbx_density_correlation ? +_refine.pdbx_pd_number_of_powder_patterns ? +_refine.pdbx_pd_number_of_points ? +_refine.pdbx_pd_meas_number_of_points ? +_refine.pdbx_pd_proc_ls_prof_R_factor ? +_refine.pdbx_pd_proc_ls_prof_wR_factor ? +_refine.pdbx_pd_Marquardt_correlation_coeff ? +_refine.pdbx_pd_Fsqrd_R_factor ? +_refine.pdbx_pd_ls_matrix_band_width ? +_refine.pdbx_overall_phase_error 24.8000 +_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? +_refine.pdbx_overall_SU_R_free_Blow_DPI ? +_refine.pdbx_overall_SU_R_Blow_DPI ? +_refine.pdbx_TLS_residual_ADP_flag ? +_refine.pdbx_diffrn_id 1 +_refine.overall_SU_B ? +_refine.overall_SU_ML 0.1700 +_refine.overall_SU_R_Cruickshank_DPI ? +_refine.overall_SU_R_free ? +_refine.overall_FOM_free_R_set ? +_refine.overall_FOM_work_R_set ? +_refine.pdbx_average_fsc_overall ? +_refine.pdbx_average_fsc_work ? +_refine.pdbx_average_fsc_free ? +# +_refine_hist.cycle_id final +_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' +_refine_hist.d_res_high 1.6900 +_refine_hist.d_res_low 43.9100 +_refine_hist.pdbx_number_atoms_ligand 22 +_refine_hist.number_atoms_solvent 96 +_refine_hist.number_atoms_total 793 +_refine_hist.pdbx_number_residues_total 33 +_refine_hist.pdbx_B_iso_mean_ligand 45.53 +_refine_hist.pdbx_B_iso_mean_solvent 55.02 +_refine_hist.pdbx_number_atoms_protein 0 +_refine_hist.pdbx_number_atoms_nucleic_acid 675 +# +loop_ +_refine_ls_restr.pdbx_refine_id +_refine_ls_restr.criterion +_refine_ls_restr.dev_ideal +_refine_ls_restr.dev_ideal_target +_refine_ls_restr.number +_refine_ls_restr.rejects +_refine_ls_restr.type +_refine_ls_restr.weight +_refine_ls_restr.pdbx_restraint_function +'X-RAY DIFFRACTION' ? 0.005 ? 773 ? f_bond_d ? ? +'X-RAY DIFFRACTION' ? 0.989 ? 1197 ? f_angle_d ? ? +'X-RAY DIFFRACTION' ? 0.046 ? 157 ? f_chiral_restr ? ? +'X-RAY DIFFRACTION' ? 0.012 ? 34 ? f_plane_restr ? ? +'X-RAY DIFFRACTION' ? 13.066 ? 379 ? f_dihedral_angle_d ? ? +# +loop_ +_refine_ls_shell.pdbx_refine_id +_refine_ls_shell.d_res_high +_refine_ls_shell.d_res_low +_refine_ls_shell.number_reflns_all +_refine_ls_shell.number_reflns_obs +_refine_ls_shell.number_reflns_R_free +_refine_ls_shell.number_reflns_R_work +_refine_ls_shell.percent_reflns_obs +_refine_ls_shell.percent_reflns_R_free +_refine_ls_shell.R_factor_all +_refine_ls_shell.R_factor_obs +_refine_ls_shell.R_factor_R_free +_refine_ls_shell.R_factor_R_free_error +_refine_ls_shell.R_factor_R_work +_refine_ls_shell.redundancy_reflns_all +_refine_ls_shell.redundancy_reflns_obs +_refine_ls_shell.wR_factor_all +_refine_ls_shell.wR_factor_obs +_refine_ls_shell.wR_factor_R_free +_refine_ls_shell.wR_factor_R_work +_refine_ls_shell.pdbx_total_number_of_bins_used +_refine_ls_shell.pdbx_phase_error +_refine_ls_shell.pdbx_fsc_work +_refine_ls_shell.pdbx_fsc_free +'X-RAY DIFFRACTION' 1.6900 1.7959 2685 . 134 2551 97.0000 . . . 0.2701 0.0000 0.2646 . . . . . . 6 . . . +'X-RAY DIFFRACTION' 1.7959 1.9346 2775 . 139 2636 100.0000 . . . 0.2784 0.0000 0.2514 . . . . . . 6 . . . +'X-RAY DIFFRACTION' 1.9346 2.1293 2792 . 139 2653 100.0000 . . . 0.2555 0.0000 0.2461 . . . . . . 6 . . . +'X-RAY DIFFRACTION' 2.1293 2.4373 2841 . 143 2698 100.0000 . . . 0.3180 0.0000 0.2462 . . . . . . 6 . . . +'X-RAY DIFFRACTION' 2.4373 3.0707 2891 . 143 2748 100.0000 . . . 0.2516 0.0000 0.2369 . . . . . . 6 . . . +'X-RAY DIFFRACTION' 3.0707 43.9249 3102 . 156 2946 100.0000 . . . 0.1735 0.0000 0.1416 . . . . . . 6 . . . +# +_struct.entry_id 6E1W +_struct.title 'Crystal structure of a class I PreQ1 riboswitch complexed with PreQ1' +_struct.pdbx_model_details ? +_struct.pdbx_formula_weight ? +_struct.pdbx_formula_weight_method ? +_struct.pdbx_model_type_details ? +_struct.pdbx_CASP_flag N +# +_struct_keywords.entry_id 6E1W +_struct_keywords.text 'PreQ1 riboswitch, Synthetic compound, Complex, RNA' +_struct_keywords.pdbx_keywords RNA +# +loop_ +_struct_asym.id +_struct_asym.pdbx_blank_PDB_chainid_flag +_struct_asym.pdbx_modified +_struct_asym.entity_id +_struct_asym.details +A N N 1 ? +B N N 2 ? +C N N 3 ? +D N N 3 ? +E N N 4 ? +F N N 5 ? +# +_struct_ref.id 1 +_struct_ref.db_name PDB +_struct_ref.db_code 6E1W +_struct_ref.pdbx_db_accession 6E1W +_struct_ref.pdbx_db_isoform ? +_struct_ref.entity_id 1 +_struct_ref.pdbx_seq_one_letter_code ? +_struct_ref.pdbx_align_begin 1 +# +_struct_ref_seq.align_id 1 +_struct_ref_seq.ref_id 1 +_struct_ref_seq.pdbx_PDB_id_code 6E1W +_struct_ref_seq.pdbx_strand_id A +_struct_ref_seq.seq_align_beg 1 +_struct_ref_seq.pdbx_seq_align_beg_ins_code ? +_struct_ref_seq.seq_align_end 33 +_struct_ref_seq.pdbx_seq_align_end_ins_code ? +_struct_ref_seq.pdbx_db_accession 6E1W +_struct_ref_seq.db_align_beg 1 +_struct_ref_seq.pdbx_db_align_beg_ins_code ? +_struct_ref_seq.db_align_end 33 +_struct_ref_seq.pdbx_db_align_end_ins_code ? +_struct_ref_seq.pdbx_auth_seq_align_beg 1 +_struct_ref_seq.pdbx_auth_seq_align_end 33 +# +_pdbx_struct_assembly.id 1 +_pdbx_struct_assembly.details author_defined_assembly +_pdbx_struct_assembly.method_details ? +_pdbx_struct_assembly.oligomeric_details monomeric +_pdbx_struct_assembly.oligomeric_count 1 +# +loop_ +_pdbx_struct_assembly_prop.biol_id +_pdbx_struct_assembly_prop.type +_pdbx_struct_assembly_prop.value +_pdbx_struct_assembly_prop.details +1 'ABSA (A^2)' 700 ? +1 MORE -10 ? +1 'SSA (A^2)' 5420 ? +# +_pdbx_struct_assembly_gen.assembly_id 1 +_pdbx_struct_assembly_gen.oper_expression 1 +_pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F +# +_pdbx_struct_assembly_auth_evidence.id 1 +_pdbx_struct_assembly_auth_evidence.assembly_id 1 +_pdbx_struct_assembly_auth_evidence.experimental_support homology +_pdbx_struct_assembly_auth_evidence.details ? +# +_pdbx_struct_oper_list.id 1 +_pdbx_struct_oper_list.type 'identity operation' +_pdbx_struct_oper_list.name 1_555 +_pdbx_struct_oper_list.symmetry_operation x,y,z +_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 +_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 +_pdbx_struct_oper_list.vector[1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 +_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 +_pdbx_struct_oper_list.vector[2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 +_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 +_pdbx_struct_oper_list.vector[3] 0.0000000000 +# +loop_ +_struct_conn.id +_struct_conn.conn_type_id +_struct_conn.pdbx_leaving_atom_flag +_struct_conn.pdbx_PDB_id +_struct_conn.ptnr1_label_asym_id +_struct_conn.ptnr1_label_comp_id +_struct_conn.ptnr1_label_seq_id +_struct_conn.ptnr1_label_atom_id +_struct_conn.pdbx_ptnr1_label_alt_id +_struct_conn.pdbx_ptnr1_PDB_ins_code +_struct_conn.pdbx_ptnr1_standard_comp_id +_struct_conn.ptnr1_symmetry +_struct_conn.ptnr2_label_asym_id +_struct_conn.ptnr2_label_comp_id +_struct_conn.ptnr2_label_seq_id +_struct_conn.ptnr2_label_atom_id +_struct_conn.pdbx_ptnr2_label_alt_id +_struct_conn.pdbx_ptnr2_PDB_ins_code +_struct_conn.ptnr1_auth_asym_id +_struct_conn.ptnr1_auth_comp_id +_struct_conn.ptnr1_auth_seq_id +_struct_conn.ptnr2_auth_asym_id +_struct_conn.ptnr2_auth_comp_id +_struct_conn.ptnr2_auth_seq_id +_struct_conn.ptnr2_symmetry +_struct_conn.pdbx_ptnr3_label_atom_id +_struct_conn.pdbx_ptnr3_label_seq_id +_struct_conn.pdbx_ptnr3_label_comp_id +_struct_conn.pdbx_ptnr3_label_asym_id +_struct_conn.pdbx_ptnr3_label_alt_id +_struct_conn.pdbx_ptnr3_PDB_ins_code +_struct_conn.details +_struct_conn.pdbx_dist_value +_struct_conn.pdbx_value_order +_struct_conn.pdbx_role +covale1 covale both ? A U 12 "O3'" ? ? ? 1_555 A N 13 P ? ? A U 12 A N 13 1_555 ? ? ? ? ? ? ? 1.610 ? ? +covale2 covale both ? A N 13 "O3'" ? ? ? 1_555 A N 14 P ? ? A N 13 A N 14 1_555 ? ? ? ? ? ? ? 1.611 ? ? +covale3 covale both ? A N 14 "O3'" ? ? ? 1_555 A C 15 P ? ? A N 14 A C 15 1_555 ? ? ? ? ? ? ? 1.615 ? ? +metalc1 metalc ? ? A A 31 OP2 ? ? ? 1_555 E MG . MG ? ? A A 31 A MG 104 1_555 ? ? ? ? ? ? ? 2.173 ? ? +metalc2 metalc ? ? E MG . MG ? ? ? 1_555 F HOH . O ? ? A MG 104 A HOH 274 1_555 ? ? ? ? ? ? ? 2.612 ? ? +metalc3 metalc ? ? E MG . MG ? ? ? 1_555 F HOH . O ? ? A MG 104 A HOH 277 1_555 ? ? ? ? ? ? ? 2.583 ? ? +hydrog1 hydrog ? ? A C 1 N3 ? ? ? 1_555 A G 20 N1 ? ? A C 1 A G 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog2 hydrog ? ? A C 1 N4 ? ? ? 1_555 A G 20 O6 ? ? A C 1 A G 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog3 hydrog ? ? A C 1 O2 ? ? ? 1_555 A G 20 N2 ? ? A C 1 A G 20 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog4 hydrog ? ? A U 2 N3 ? ? ? 1_555 A A 19 N1 ? ? A U 2 A A 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog5 hydrog ? ? A U 2 O4 ? ? ? 1_555 A A 19 N6 ? ? A U 2 A A 19 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog6 hydrog ? ? A G 3 N1 ? ? ? 1_555 A C 18 N3 ? ? A G 3 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog7 hydrog ? ? A G 3 N2 ? ? ? 1_555 A C 18 O2 ? ? A G 3 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog8 hydrog ? ? A G 3 O6 ? ? ? 1_555 A C 18 N4 ? ? A G 3 A C 18 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog9 hydrog ? ? A G 4 N1 ? ? ? 1_555 A C 17 N3 ? ? A G 4 A C 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog10 hydrog ? ? A G 4 N2 ? ? ? 1_555 A C 17 O2 ? ? A G 4 A C 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog11 hydrog ? ? A G 4 O6 ? ? ? 1_555 A C 17 N4 ? ? A G 4 A C 17 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog12 hydrog ? ? A G 5 N1 ? ? ? 1_555 A C 16 N3 ? ? A G 5 A C 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog13 hydrog ? ? A G 5 N2 ? ? ? 1_555 A C 16 O2 ? ? A G 5 A C 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog14 hydrog ? ? A G 5 O6 ? ? ? 1_555 A C 16 N4 ? ? A G 5 A C 16 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog15 hydrog ? ? A G 5 N2 ? ? ? 1_555 A A 27 N1 ? ? A G 5 A A 27 1_555 ? ? ? ? ? ? TYPE_10_PAIR ? ? ? +hydrog16 hydrog ? ? A G 5 N3 ? ? ? 1_555 A A 27 N6 ? ? A G 5 A A 27 1_555 ? ? ? ? ? ? TYPE_10_PAIR ? ? ? +hydrog17 hydrog ? ? A U 6 N3 ? ? ? 1_555 A A 28 N7 ? ? A U 6 A A 28 1_555 ? ? ? ? ? ? HOOGSTEEN ? ? ? +hydrog18 hydrog ? ? A U 6 O4 ? ? ? 1_555 A A 28 N6 ? ? A U 6 A A 28 1_555 ? ? ? ? ? ? HOOGSTEEN ? ? ? +hydrog19 hydrog ? ? A C 7 N4 ? ? ? 1_555 A G 11 N7 ? ? A C 7 A G 11 1_555 ? ? ? ? ? ? 'C-G PAIR' ? ? ? +hydrog20 hydrog ? ? A C 7 O2 ? ? ? 1_555 A A 29 N6 ? ? A C 7 A A 29 1_555 ? ? ? ? ? ? 'C-A MISPAIR' ? ? ? +hydrog21 hydrog ? ? A C 7 O2 ? ? ? 1_555 A C 30 N4 ? ? A C 7 A C 30 1_555 ? ? ? ? ? ? 'C-C MISPAIR' ? ? ? +hydrog22 hydrog ? ? A G 8 N2 ? ? ? 1_555 A A 31 N1 ? ? A G 8 A A 31 1_555 ? ? ? ? ? ? TYPE_10_PAIR ? ? ? +hydrog23 hydrog ? ? A G 8 N3 ? ? ? 1_555 A A 31 N6 ? ? A G 8 A A 31 1_555 ? ? ? ? ? ? TYPE_10_PAIR ? ? ? +hydrog24 hydrog ? ? A C 9 N3 ? ? ? 1_555 A G 33 N1 ? ? A C 9 A G 33 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog25 hydrog ? ? A C 9 N4 ? ? ? 1_555 A G 33 O6 ? ? A C 9 A G 33 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog26 hydrog ? ? A C 9 O2 ? ? ? 1_555 A G 33 N2 ? ? A C 9 A G 33 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog27 hydrog ? ? A A 10 N3 ? ? ? 1_555 A A 32 N6 ? ? A A 10 A A 32 1_555 ? ? ? ? ? ? 'A-A MISPAIR' ? ? ? +hydrog28 hydrog ? ? A G 11 N2 ? ? ? 1_555 A C 15 O2 ? ? A G 11 A C 15 1_555 ? ? ? ? ? ? 'G-C PAIR' ? ? ? +hydrog29 hydrog ? ? A G 11 N1 ? ? ? 1_555 A C 30 N3 ? ? A G 11 A C 30 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog30 hydrog ? ? A G 11 N2 ? ? ? 1_555 A C 30 O2 ? ? A G 11 A C 30 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog31 hydrog ? ? A G 11 O6 ? ? ? 1_555 A C 30 N4 ? ? A G 11 A C 30 1_555 ? ? ? ? ? ? WATSON-CRICK ? ? ? +hydrog32 hydrog ? ? A C 16 O2 ? ? ? 1_555 A A 28 N6 ? ? A C 16 A A 28 1_555 ? ? ? ? ? ? 'C-A MISPAIR' ? ? ? +hydrog33 hydrog ? ? A C 17 O2 ? ? ? 1_555 A A 26 N6 ? ? A C 17 A A 26 1_555 ? ? ? ? ? ? 'C-A MISPAIR' ? ? ? +# +loop_ +_struct_conn_type.id +_struct_conn_type.criteria +_struct_conn_type.reference +covale ? ? +metalc ? ? +hydrog ? ? +# +loop_ +_pdbx_struct_conn_angle.id +_pdbx_struct_conn_angle.ptnr1_label_atom_id +_pdbx_struct_conn_angle.ptnr1_label_alt_id +_pdbx_struct_conn_angle.ptnr1_label_asym_id +_pdbx_struct_conn_angle.ptnr1_label_comp_id +_pdbx_struct_conn_angle.ptnr1_label_seq_id +_pdbx_struct_conn_angle.ptnr1_auth_atom_id +_pdbx_struct_conn_angle.ptnr1_auth_asym_id +_pdbx_struct_conn_angle.ptnr1_auth_comp_id +_pdbx_struct_conn_angle.ptnr1_auth_seq_id +_pdbx_struct_conn_angle.ptnr1_PDB_ins_code +_pdbx_struct_conn_angle.ptnr1_symmetry +_pdbx_struct_conn_angle.ptnr2_label_atom_id +_pdbx_struct_conn_angle.ptnr2_label_alt_id +_pdbx_struct_conn_angle.ptnr2_label_asym_id +_pdbx_struct_conn_angle.ptnr2_label_comp_id +_pdbx_struct_conn_angle.ptnr2_label_seq_id +_pdbx_struct_conn_angle.ptnr2_auth_atom_id +_pdbx_struct_conn_angle.ptnr2_auth_asym_id +_pdbx_struct_conn_angle.ptnr2_auth_comp_id +_pdbx_struct_conn_angle.ptnr2_auth_seq_id +_pdbx_struct_conn_angle.ptnr2_PDB_ins_code +_pdbx_struct_conn_angle.ptnr2_symmetry +_pdbx_struct_conn_angle.ptnr3_label_atom_id +_pdbx_struct_conn_angle.ptnr3_label_alt_id +_pdbx_struct_conn_angle.ptnr3_label_asym_id +_pdbx_struct_conn_angle.ptnr3_label_comp_id +_pdbx_struct_conn_angle.ptnr3_label_seq_id +_pdbx_struct_conn_angle.ptnr3_auth_atom_id +_pdbx_struct_conn_angle.ptnr3_auth_asym_id +_pdbx_struct_conn_angle.ptnr3_auth_comp_id +_pdbx_struct_conn_angle.ptnr3_auth_seq_id +_pdbx_struct_conn_angle.ptnr3_PDB_ins_code +_pdbx_struct_conn_angle.ptnr3_symmetry +_pdbx_struct_conn_angle.value +_pdbx_struct_conn_angle.value_esd +1 OP2 ? A A 31 ? A A 31 ? 1_555 MG ? E MG . ? A MG 104 ? 1_555 O ? F HOH . ? A HOH 274 ? 1_555 123.7 ? +2 OP2 ? A A 31 ? A A 31 ? 1_555 MG ? E MG . ? A MG 104 ? 1_555 O ? F HOH . ? A HOH 277 ? 1_555 126.6 ? +3 O ? F HOH . ? A HOH 274 ? 1_555 MG ? E MG . ? A MG 104 ? 1_555 O ? F HOH . ? A HOH 277 ? 1_555 91.8 ? +# +loop_ +_struct_site.id +_struct_site.pdbx_evidence_code +_struct_site.pdbx_auth_asym_id +_struct_site.pdbx_auth_comp_id +_struct_site.pdbx_auth_seq_id +_struct_site.pdbx_auth_ins_code +_struct_site.pdbx_num_residues +_struct_site.details +AC1 Software A HNG 101 ? 9 'binding site for residue HNG A 101' +AC2 Software A ACT 102 ? 4 'binding site for residue ACT A 102' +AC3 Software A ACT 103 ? 5 'binding site for residue ACT A 103' +AC4 Software A MG 104 ? 4 'binding site for residue MG A 104' +# +loop_ +_struct_site_gen.id +_struct_site_gen.site_id +_struct_site_gen.pdbx_num_res +_struct_site_gen.label_comp_id +_struct_site_gen.label_asym_id +_struct_site_gen.label_seq_id +_struct_site_gen.pdbx_auth_ins_code +_struct_site_gen.auth_comp_id +_struct_site_gen.auth_asym_id +_struct_site_gen.auth_seq_id +_struct_site_gen.label_atom_id +_struct_site_gen.label_alt_id +_struct_site_gen.symmetry +_struct_site_gen.details +1 AC1 9 G A 5 ? G A 5 . ? 1_555 ? +2 AC1 9 U A 6 ? U A 6 . ? 1_555 ? +3 AC1 9 C A 7 ? C A 7 . ? 1_555 ? +4 AC1 9 G A 11 ? G A 11 . ? 1_555 ? +5 AC1 9 C A 15 ? C A 15 . ? 1_555 ? +6 AC1 9 C A 16 ? C A 16 . ? 1_555 ? +7 AC1 9 A A 29 ? A A 29 . ? 1_555 ? +8 AC1 9 C A 30 ? C A 30 . ? 1_555 ? +9 AC1 9 ACT C . ? ACT A 102 . ? 1_555 ? +10 AC2 4 G A 11 ? G A 11 . ? 1_555 ? +11 AC2 4 HNG B . ? HNG A 101 . ? 1_555 ? +12 AC2 4 HOH F . ? HOH A 242 . ? 1_555 ? +13 AC2 4 HOH F . ? HOH A 273 . ? 1_555 ? +14 AC3 5 C A 9 ? C A 9 . ? 1_555 ? +15 AC3 5 HOH F . ? HOH A 217 . ? 12_555 ? +16 AC3 5 HOH F . ? HOH A 234 . ? 1_555 ? +17 AC3 5 HOH F . ? HOH A 277 . ? 1_555 ? +18 AC3 5 HOH F . ? HOH A 288 . ? 12_555 ? +19 AC4 4 C A 30 ? C A 30 . ? 1_555 ? +20 AC4 4 A A 31 ? A A 31 . ? 1_555 ? +21 AC4 4 HOH F . ? HOH A 274 . ? 1_555 ? +22 AC4 4 HOH F . ? HOH A 277 . ? 1_555 ? +# +loop_ +_pdbx_refine_tls.pdbx_refine_id +_pdbx_refine_tls.id +_pdbx_refine_tls.details +_pdbx_refine_tls.method +_pdbx_refine_tls.origin_x +_pdbx_refine_tls.origin_y +_pdbx_refine_tls.origin_z +_pdbx_refine_tls.T[1][1] +_pdbx_refine_tls.T[2][2] +_pdbx_refine_tls.T[3][3] +_pdbx_refine_tls.T[1][2] +_pdbx_refine_tls.T[1][3] +_pdbx_refine_tls.T[2][3] +_pdbx_refine_tls.L[1][1] +_pdbx_refine_tls.L[2][2] +_pdbx_refine_tls.L[3][3] +_pdbx_refine_tls.L[1][2] +_pdbx_refine_tls.L[1][3] +_pdbx_refine_tls.L[2][3] +_pdbx_refine_tls.S[1][1] +_pdbx_refine_tls.S[2][2] +_pdbx_refine_tls.S[3][3] +_pdbx_refine_tls.S[1][2] +_pdbx_refine_tls.S[1][3] +_pdbx_refine_tls.S[2][3] +_pdbx_refine_tls.S[2][1] +_pdbx_refine_tls.S[3][1] +_pdbx_refine_tls.S[3][2] +'X-RAY DIFFRACTION' 1 ? refined 37.6668 38.2491 30.0324 0.4020 0.5163 0.3782 0.1578 0.0679 0.0296 0.8696 7.8961 4.6023 -2.0799 +1.1068 0.4207 -0.1043 0.1695 -0.0550 -0.0033 0.0717 -0.5614 0.2522 0.7055 0.3837 +'X-RAY DIFFRACTION' 2 ? refined 38.2530 34.8162 20.0569 0.5225 0.3926 0.4491 0.0778 0.0597 -0.0385 2.9242 9.6377 6.5778 0.8423 +1.5817 2.4931 -0.0044 -0.0113 -0.0348 0.1079 0.9372 -0.6283 -0.3537 -0.0844 0.3245 +'X-RAY DIFFRACTION' 3 ? refined 32.1170 45.0929 36.3141 0.3583 0.5416 0.3852 0.0858 0.0474 -0.0270 8.3478 2.2386 2.5224 3.5122 +2.9978 0.7650 -0.0254 -0.2430 0.2448 -0.3598 -0.0336 0.1811 0.2219 0.3594 0.0125 +'X-RAY DIFFRACTION' 4 ? refined 34.3148 30.6623 26.7568 0.5622 0.3584 0.3933 0.0631 0.0458 0.0080 3.6764 8.3403 4.4818 -2.1123 +-1.8575 6.0935 -0.1627 -0.1665 0.4239 -0.0950 -0.2124 0.5348 0.6937 1.3995 -0.0957 +# +loop_ +_pdbx_refine_tls_group.pdbx_refine_id +_pdbx_refine_tls_group.id +_pdbx_refine_tls_group.refine_tls_id +_pdbx_refine_tls_group.beg_auth_asym_id +_pdbx_refine_tls_group.beg_auth_seq_id +_pdbx_refine_tls_group.end_auth_asym_id +_pdbx_refine_tls_group.end_auth_seq_id +_pdbx_refine_tls_group.selection_details +_pdbx_refine_tls_group.beg_label_asym_id +_pdbx_refine_tls_group.beg_label_seq_id +_pdbx_refine_tls_group.end_label_asym_id +_pdbx_refine_tls_group.end_label_seq_id +_pdbx_refine_tls_group.selection +'X-RAY DIFFRACTION' 1 1 A 1 A 8 '(chain A and resid 1:8)' ? ? ? ? ? +'X-RAY DIFFRACTION' 2 2 A 9 A 16 '(chain A and resid 9:16)' ? ? ? ? ? +'X-RAY DIFFRACTION' 3 3 A 17 A 23 '(chain A and resid 17:23)' ? ? ? ? ? +'X-RAY DIFFRACTION' 4 4 A 24 A 33 '(chain A and resid 24:33)' ? ? ? ? ? +# +_pdbx_phasing_MR.entry_id 6E1W +_pdbx_phasing_MR.method_rotation ? +_pdbx_phasing_MR.method_translation ? +_pdbx_phasing_MR.model_details ? +_pdbx_phasing_MR.R_factor ? +_pdbx_phasing_MR.R_rigid_body ? +_pdbx_phasing_MR.correlation_coeff_Fo_to_Fc ? +_pdbx_phasing_MR.correlation_coeff_Io_to_Ic ? +_pdbx_phasing_MR.d_res_high_rotation 5.090 +_pdbx_phasing_MR.d_res_low_rotation 43.910 +_pdbx_phasing_MR.d_res_high_translation 5.090 +_pdbx_phasing_MR.d_res_low_translation 43.910 +_pdbx_phasing_MR.packing ? +_pdbx_phasing_MR.reflns_percent_rotation ? +_pdbx_phasing_MR.reflns_percent_translation ? +_pdbx_phasing_MR.sigma_F_rotation ? +_pdbx_phasing_MR.sigma_F_translation ? +_pdbx_phasing_MR.sigma_I_rotation ? +_pdbx_phasing_MR.sigma_I_translation ? +# +_phasing.method MR +# +loop_ +_chem_comp_atom.comp_id +_chem_comp_atom.atom_id +_chem_comp_atom.type_symbol +_chem_comp_atom.pdbx_aromatic_flag +_chem_comp_atom.pdbx_stereo_config +_chem_comp_atom.pdbx_ordinal +A OP3 O N N 1 +A P P N N 2 +A OP1 O N N 3 +A OP2 O N N 4 +A "O5'" O N N 5 +A "C5'" C N N 6 +A "C4'" C N R 7 +A "O4'" O N N 8 +A "C3'" C N S 9 +A "O3'" O N N 10 +A "C2'" C N R 11 +A "O2'" O N N 12 +A "C1'" C N R 13 +A N9 N Y N 14 +A C8 C Y N 15 +A N7 N Y N 16 +A C5 C Y N 17 +A C6 C Y N 18 +A N6 N N N 19 +A N1 N Y N 20 +A C2 C Y N 21 +A N3 N Y N 22 +A C4 C Y N 23 +A HOP3 H N N 24 +A HOP2 H N N 25 +A "H5'" H N N 26 +A "H5''" H N N 27 +A "H4'" H N N 28 +A "H3'" H N N 29 +A "HO3'" H N N 30 +A "H2'" H N N 31 +A "HO2'" H N N 32 +A "H1'" H N N 33 +A H8 H N N 34 +A H61 H N N 35 +A H62 H N N 36 +A H2 H N N 37 +ACT C C N N 38 +ACT O O N N 39 +ACT OXT O N N 40 +ACT CH3 C N N 41 +ACT H1 H N N 42 +ACT H2 H N N 43 +ACT H3 H N N 44 +C OP3 O N N 45 +C P P N N 46 +C OP1 O N N 47 +C OP2 O N N 48 +C "O5'" O N N 49 +C "C5'" C N N 50 +C "C4'" C N R 51 +C "O4'" O N N 52 +C "C3'" C N S 53 +C "O3'" O N N 54 +C "C2'" C N R 55 +C "O2'" O N N 56 +C "C1'" C N R 57 +C N1 N N N 58 +C C2 C N N 59 +C O2 O N N 60 +C N3 N N N 61 +C C4 C N N 62 +C N4 N N N 63 +C C5 C N N 64 +C C6 C N N 65 +C HOP3 H N N 66 +C HOP2 H N N 67 +C "H5'" H N N 68 +C "H5''" H N N 69 +C "H4'" H N N 70 +C "H3'" H N N 71 +C "HO3'" H N N 72 +C "H2'" H N N 73 +C "HO2'" H N N 74 +C "H1'" H N N 75 +C H41 H N N 76 +C H42 H N N 77 +C H5 H N N 78 +C H6 H N N 79 +G OP3 O N N 80 +G P P N N 81 +G OP1 O N N 82 +G OP2 O N N 83 +G "O5'" O N N 84 +G "C5'" C N N 85 +G "C4'" C N R 86 +G "O4'" O N N 87 +G "C3'" C N S 88 +G "O3'" O N N 89 +G "C2'" C N R 90 +G "O2'" O N N 91 +G "C1'" C N R 92 +G N9 N Y N 93 +G C8 C Y N 94 +G N7 N Y N 95 +G C5 C Y N 96 +G C6 C N N 97 +G O6 O N N 98 +G N1 N N N 99 +G C2 C N N 100 +G N2 N N N 101 +G N3 N N N 102 +G C4 C Y N 103 +G HOP3 H N N 104 +G HOP2 H N N 105 +G "H5'" H N N 106 +G "H5''" H N N 107 +G "H4'" H N N 108 +G "H3'" H N N 109 +G "HO3'" H N N 110 +G "H2'" H N N 111 +G "HO2'" H N N 112 +G "H1'" H N N 113 +G H8 H N N 114 +G H1 H N N 115 +G H21 H N N 116 +G H22 H N N 117 +HNG N1 N N N 118 +HNG C2 C N N 119 +HNG N3 N N N 120 +HNG C4 C Y N 121 +HNG C5 C Y N 122 +HNG C6 C N N 123 +HNG O6 O N N 124 +HNG C7 C Y N 125 +HNG C10 C N N 126 +HNG N11 N N N 127 +HNG C8 C Y N 128 +HNG N9 N Y N 129 +HNG N2 N N N 130 +HNG H1 H N N 131 +HNG H2 H N N 132 +HNG H3 H N N 133 +HNG H4 H N N 134 +HNG H5 H N N 135 +HNG H7 H N N 136 +HNG H8 H N N 137 +HNG H9 H N N 138 +HNG H10 H N N 139 +HOH O O N N 140 +HOH H1 H N N 141 +HOH H2 H N N 142 +MG MG MG N N 143 +U OP3 O N N 144 +U P P N N 145 +U OP1 O N N 146 +U OP2 O N N 147 +U "O5'" O N N 148 +U "C5'" C N N 149 +U "C4'" C N R 150 +U "O4'" O N N 151 +U "C3'" C N S 152 +U "O3'" O N N 153 +U "C2'" C N R 154 +U "O2'" O N N 155 +U "C1'" C N R 156 +U N1 N N N 157 +U C2 C N N 158 +U O2 O N N 159 +U N3 N N N 160 +U C4 C N N 161 +U O4 O N N 162 +U C5 C N N 163 +U C6 C N N 164 +U HOP3 H N N 165 +U HOP2 H N N 166 +U "H5'" H N N 167 +U "H5''" H N N 168 +U "H4'" H N N 169 +U "H3'" H N N 170 +U "HO3'" H N N 171 +U "H2'" H N N 172 +U "HO2'" H N N 173 +U "H1'" H N N 174 +U H3 H N N 175 +U H5 H N N 176 +U H6 H N N 177 +# +loop_ +_chem_comp_bond.comp_id +_chem_comp_bond.atom_id_1 +_chem_comp_bond.atom_id_2 +_chem_comp_bond.value_order +_chem_comp_bond.pdbx_aromatic_flag +_chem_comp_bond.pdbx_stereo_config +_chem_comp_bond.pdbx_ordinal +A OP3 P sing N N 1 +A OP3 HOP3 sing N N 2 +A P OP1 doub N N 3 +A P OP2 sing N N 4 +A P "O5'" sing N N 5 +A OP2 HOP2 sing N N 6 +A "O5'" "C5'" sing N N 7 +A "C5'" "C4'" sing N N 8 +A "C5'" "H5'" sing N N 9 +A "C5'" "H5''" sing N N 10 +A "C4'" "O4'" sing N N 11 +A "C4'" "C3'" sing N N 12 +A "C4'" "H4'" sing N N 13 +A "O4'" "C1'" sing N N 14 +A "C3'" "O3'" sing N N 15 +A "C3'" "C2'" sing N N 16 +A "C3'" "H3'" sing N N 17 +A "O3'" "HO3'" sing N N 18 +A "C2'" "O2'" sing N N 19 +A "C2'" "C1'" sing N N 20 +A "C2'" "H2'" sing N N 21 +A "O2'" "HO2'" sing N N 22 +A "C1'" N9 sing N N 23 +A "C1'" "H1'" sing N N 24 +A N9 C8 sing Y N 25 +A N9 C4 sing Y N 26 +A C8 N7 doub Y N 27 +A C8 H8 sing N N 28 +A N7 C5 sing Y N 29 +A C5 C6 sing Y N 30 +A C5 C4 doub Y N 31 +A C6 N6 sing N N 32 +A C6 N1 doub Y N 33 +A N6 H61 sing N N 34 +A N6 H62 sing N N 35 +A N1 C2 sing Y N 36 +A C2 N3 doub Y N 37 +A C2 H2 sing N N 38 +A N3 C4 sing Y N 39 +ACT C O doub N N 40 +ACT C OXT sing N N 41 +ACT C CH3 sing N N 42 +ACT CH3 H1 sing N N 43 +ACT CH3 H2 sing N N 44 +ACT CH3 H3 sing N N 45 +C OP3 P sing N N 46 +C OP3 HOP3 sing N N 47 +C P OP1 doub N N 48 +C P OP2 sing N N 49 +C P "O5'" sing N N 50 +C OP2 HOP2 sing N N 51 +C "O5'" "C5'" sing N N 52 +C "C5'" "C4'" sing N N 53 +C "C5'" "H5'" sing N N 54 +C "C5'" "H5''" sing N N 55 +C "C4'" "O4'" sing N N 56 +C "C4'" "C3'" sing N N 57 +C "C4'" "H4'" sing N N 58 +C "O4'" "C1'" sing N N 59 +C "C3'" "O3'" sing N N 60 +C "C3'" "C2'" sing N N 61 +C "C3'" "H3'" sing N N 62 +C "O3'" "HO3'" sing N N 63 +C "C2'" "O2'" sing N N 64 +C "C2'" "C1'" sing N N 65 +C "C2'" "H2'" sing N N 66 +C "O2'" "HO2'" sing N N 67 +C "C1'" N1 sing N N 68 +C "C1'" "H1'" sing N N 69 +C N1 C2 sing N N 70 +C N1 C6 sing N N 71 +C C2 O2 doub N N 72 +C C2 N3 sing N N 73 +C N3 C4 doub N N 74 +C C4 N4 sing N N 75 +C C4 C5 sing N N 76 +C N4 H41 sing N N 77 +C N4 H42 sing N N 78 +C C5 C6 doub N N 79 +C C5 H5 sing N N 80 +C C6 H6 sing N N 81 +G OP3 P sing N N 82 +G OP3 HOP3 sing N N 83 +G P OP1 doub N N 84 +G P OP2 sing N N 85 +G P "O5'" sing N N 86 +G OP2 HOP2 sing N N 87 +G "O5'" "C5'" sing N N 88 +G "C5'" "C4'" sing N N 89 +G "C5'" "H5'" sing N N 90 +G "C5'" "H5''" sing N N 91 +G "C4'" "O4'" sing N N 92 +G "C4'" "C3'" sing N N 93 +G "C4'" "H4'" sing N N 94 +G "O4'" "C1'" sing N N 95 +G "C3'" "O3'" sing N N 96 +G "C3'" "C2'" sing N N 97 +G "C3'" "H3'" sing N N 98 +G "O3'" "HO3'" sing N N 99 +G "C2'" "O2'" sing N N 100 +G "C2'" "C1'" sing N N 101 +G "C2'" "H2'" sing N N 102 +G "O2'" "HO2'" sing N N 103 +G "C1'" N9 sing N N 104 +G "C1'" "H1'" sing N N 105 +G N9 C8 sing Y N 106 +G N9 C4 sing Y N 107 +G C8 N7 doub Y N 108 +G C8 H8 sing N N 109 +G N7 C5 sing Y N 110 +G C5 C6 sing N N 111 +G C5 C4 doub Y N 112 +G C6 O6 doub N N 113 +G C6 N1 sing N N 114 +G N1 C2 sing N N 115 +G N1 H1 sing N N 116 +G C2 N2 sing N N 117 +G C2 N3 doub N N 118 +G N2 H21 sing N N 119 +G N2 H22 sing N N 120 +G N3 C4 sing N N 121 +HNG N2 C2 sing N N 122 +HNG N1 C2 doub N N 123 +HNG N1 C6 sing N N 124 +HNG O6 C6 doub N N 125 +HNG C2 N3 sing N N 126 +HNG C6 C5 sing N N 127 +HNG N3 C4 sing N N 128 +HNG C5 C4 doub Y N 129 +HNG C5 C7 sing Y N 130 +HNG C4 N9 sing Y N 131 +HNG N11 C10 sing N N 132 +HNG C7 C10 sing N N 133 +HNG C7 C8 doub Y N 134 +HNG N9 C8 sing Y N 135 +HNG N3 H1 sing N N 136 +HNG C10 H2 sing N N 137 +HNG C10 H3 sing N N 138 +HNG N11 H4 sing N N 139 +HNG N11 H5 sing N N 140 +HNG C8 H7 sing N N 141 +HNG N9 H8 sing N N 142 +HNG N2 H9 sing N N 143 +HNG N2 H10 sing N N 144 +HOH O H1 sing N N 145 +HOH O H2 sing N N 146 +U OP3 P sing N N 147 +U OP3 HOP3 sing N N 148 +U P OP1 doub N N 149 +U P OP2 sing N N 150 +U P "O5'" sing N N 151 +U OP2 HOP2 sing N N 152 +U "O5'" "C5'" sing N N 153 +U "C5'" "C4'" sing N N 154 +U "C5'" "H5'" sing N N 155 +U "C5'" "H5''" sing N N 156 +U "C4'" "O4'" sing N N 157 +U "C4'" "C3'" sing N N 158 +U "C4'" "H4'" sing N N 159 +U "O4'" "C1'" sing N N 160 +U "C3'" "O3'" sing N N 161 +U "C3'" "C2'" sing N N 162 +U "C3'" "H3'" sing N N 163 +U "O3'" "HO3'" sing N N 164 +U "C2'" "O2'" sing N N 165 +U "C2'" "C1'" sing N N 166 +U "C2'" "H2'" sing N N 167 +U "O2'" "HO2'" sing N N 168 +U "C1'" N1 sing N N 169 +U "C1'" "H1'" sing N N 170 +U N1 C2 sing N N 171 +U N1 C6 sing N N 172 +U C2 O2 doub N N 173 +U C2 N3 sing N N 174 +U N3 C4 sing N N 175 +U N3 H3 sing N N 176 +U C4 O4 doub N N 177 +U C4 C5 sing N N 178 +U C5 C6 doub N N 179 +U C5 H5 sing N N 180 +U C6 H6 sing N N 181 +# +loop_ +_ndb_struct_conf_na.entry_id +_ndb_struct_conf_na.feature +6E1W 'double helix' +6E1W 'a-form double helix' +6E1W 'quadruple helix' +# +loop_ +_ndb_struct_na_base_pair.model_number +_ndb_struct_na_base_pair.i_label_asym_id +_ndb_struct_na_base_pair.i_label_comp_id +_ndb_struct_na_base_pair.i_label_seq_id +_ndb_struct_na_base_pair.i_symmetry +_ndb_struct_na_base_pair.j_label_asym_id +_ndb_struct_na_base_pair.j_label_comp_id +_ndb_struct_na_base_pair.j_label_seq_id +_ndb_struct_na_base_pair.j_symmetry +_ndb_struct_na_base_pair.shear +_ndb_struct_na_base_pair.stretch +_ndb_struct_na_base_pair.stagger +_ndb_struct_na_base_pair.buckle +_ndb_struct_na_base_pair.propeller +_ndb_struct_na_base_pair.opening +_ndb_struct_na_base_pair.pair_number +_ndb_struct_na_base_pair.pair_name +_ndb_struct_na_base_pair.i_auth_asym_id +_ndb_struct_na_base_pair.i_auth_seq_id +_ndb_struct_na_base_pair.i_PDB_ins_code +_ndb_struct_na_base_pair.j_auth_asym_id +_ndb_struct_na_base_pair.j_auth_seq_id +_ndb_struct_na_base_pair.j_PDB_ins_code +_ndb_struct_na_base_pair.hbond_type_28 +_ndb_struct_na_base_pair.hbond_type_12 +1 A C 1 1_555 A G 20 1_555 0.153 -0.144 0.090 -4.408 -7.984 0.221 1 A_C1:G20_A A 1 ? A 20 ? 19 1 +1 A U 2 1_555 A A 19 1_555 0.072 -0.134 0.191 -3.887 -13.022 2.244 2 A_U2:A19_A A 2 ? A 19 ? 20 1 +1 A G 3 1_555 A C 18 1_555 -0.204 -0.141 -0.070 -6.692 -10.155 -0.482 3 A_G3:C18_A A 3 ? A 18 ? 19 1 +1 A G 4 1_555 A C 17 1_555 -0.215 -0.239 0.030 -5.787 -10.632 -1.128 4 A_G4:C17_A A 4 ? A 17 ? 19 1 +1 A G 5 1_555 A C 16 1_555 -0.200 -0.165 0.090 -2.291 -11.111 -0.656 5 A_G5:C16_A A 5 ? A 16 ? 19 1 +1 A U 6 1_555 A A 28 1_555 -0.644 3.355 1.401 -27.955 -13.537 -70.055 6 A_U6:A28_A A 6 ? A 28 ? 23 3 +1 A C 7 1_555 A A 29 1_555 4.445 0.083 2.102 -24.064 16.579 -42.354 7 A_C7:A29_A A 7 ? A 29 ? ? ? +1 A G 11 1_555 A C 30 1_555 -0.253 -0.161 0.247 -0.456 -23.592 0.536 8 A_G11:C30_A A 11 ? A 30 ? 19 1 +1 A G 8 1_555 A A 31 1_555 3.688 -3.704 0.323 12.327 -3.272 -61.197 9 A_G8:A31_A A 8 ? A 31 ? 10 6 +1 A A 10 1_555 A A 32 1_555 6.312 -4.188 -0.389 5.109 -23.439 -21.012 10 A_A10:A32_A A 10 ? A 32 ? ? 10 +1 A C 9 1_555 A G 33 1_555 0.368 -0.151 -0.200 8.891 -14.816 -0.819 11 A_C9:G33_A A 9 ? A 33 ? 19 1 +# +loop_ +_ndb_struct_na_base_pair_step.model_number +_ndb_struct_na_base_pair_step.i_label_asym_id_1 +_ndb_struct_na_base_pair_step.i_label_comp_id_1 +_ndb_struct_na_base_pair_step.i_label_seq_id_1 +_ndb_struct_na_base_pair_step.i_symmetry_1 +_ndb_struct_na_base_pair_step.j_label_asym_id_1 +_ndb_struct_na_base_pair_step.j_label_comp_id_1 +_ndb_struct_na_base_pair_step.j_label_seq_id_1 +_ndb_struct_na_base_pair_step.j_symmetry_1 +_ndb_struct_na_base_pair_step.i_label_asym_id_2 +_ndb_struct_na_base_pair_step.i_label_comp_id_2 +_ndb_struct_na_base_pair_step.i_label_seq_id_2 +_ndb_struct_na_base_pair_step.i_symmetry_2 +_ndb_struct_na_base_pair_step.j_label_asym_id_2 +_ndb_struct_na_base_pair_step.j_label_comp_id_2 +_ndb_struct_na_base_pair_step.j_label_seq_id_2 +_ndb_struct_na_base_pair_step.j_symmetry_2 +_ndb_struct_na_base_pair_step.shift +_ndb_struct_na_base_pair_step.slide +_ndb_struct_na_base_pair_step.rise +_ndb_struct_na_base_pair_step.tilt +_ndb_struct_na_base_pair_step.roll +_ndb_struct_na_base_pair_step.twist +_ndb_struct_na_base_pair_step.x_displacement +_ndb_struct_na_base_pair_step.y_displacement +_ndb_struct_na_base_pair_step.helical_rise +_ndb_struct_na_base_pair_step.inclination +_ndb_struct_na_base_pair_step.tip +_ndb_struct_na_base_pair_step.helical_twist +_ndb_struct_na_base_pair_step.step_number +_ndb_struct_na_base_pair_step.step_name +_ndb_struct_na_base_pair_step.i_auth_asym_id_1 +_ndb_struct_na_base_pair_step.i_auth_seq_id_1 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.j_auth_asym_id_1 +_ndb_struct_na_base_pair_step.j_auth_seq_id_1 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_1 +_ndb_struct_na_base_pair_step.i_auth_asym_id_2 +_ndb_struct_na_base_pair_step.i_auth_seq_id_2 +_ndb_struct_na_base_pair_step.i_PDB_ins_code_2 +_ndb_struct_na_base_pair_step.j_auth_asym_id_2 +_ndb_struct_na_base_pair_step.j_auth_seq_id_2 +_ndb_struct_na_base_pair_step.j_PDB_ins_code_2 +1 A C 1 1_555 A G 20 1_555 A U 2 1_555 A A 19 1_555 0.337 -1.439 3.192 0.493 7.777 34.625 -3.423 -0.486 2.817 12.865 +-0.815 35.465 1 AA_C1U2:A19G20_AA A 1 ? A 20 ? A 2 ? A 19 ? +1 A U 2 1_555 A A 19 1_555 A G 3 1_555 A C 18 1_555 -0.126 -1.384 3.175 2.954 10.697 32.281 -3.899 0.640 2.578 18.567 +-5.127 34.087 2 AA_U2G3:C18A19_AA A 2 ? A 19 ? A 3 ? A 18 ? +1 A G 3 1_555 A C 18 1_555 A G 4 1_555 A C 17 1_555 0.517 -1.670 3.230 1.768 5.180 29.294 -4.275 -0.656 2.924 10.131 +-3.457 29.790 3 AA_G3G4:C17C18_AA A 3 ? A 18 ? A 4 ? A 17 ? +1 A G 4 1_555 A C 17 1_555 A G 5 1_555 A C 16 1_555 0.304 -1.792 3.133 2.901 4.708 34.469 -3.648 -0.100 2.886 7.881 +-4.857 34.897 4 AA_G4G5:C16C17_AA A 4 ? A 17 ? A 5 ? A 16 ? +1 A G 5 1_555 A C 16 1_555 A U 6 1_555 A A 28 1_555 -6.527 -1.001 1.512 15.424 6.981 20.387 -1.755 13.312 -2.859 16.519 +-36.500 26.443 5 AA_G5U6:A28C16_AA A 5 ? A 16 ? A 6 ? A 28 ? +1 A U 6 1_555 A A 28 1_555 A C 7 1_555 A A 29 1_555 2.805 -1.538 3.672 3.571 -0.277 49.832 -1.798 -3.023 3.859 -0.328 +-4.232 49.953 6 AA_U6C7:A29A28_AA A 6 ? A 28 ? A 7 ? A 29 ? +1 A C 7 1_555 A A 29 1_555 A G 11 1_555 A C 30 1_555 0.908 -1.916 0.503 -146.356 -96.505 127.866 -0.889 -0.559 0.582 -48.384 +73.377 177.939 7 AA_C7G11:C30A29_AA A 7 ? A 29 ? A 11 ? A 30 ? +1 A G 11 1_555 A C 30 1_555 A G 8 1_555 A A 31 1_555 -3.585 2.578 1.457 -160.550 -18.119 -157.448 -1.277 -1.902 0.798 9.079 +-80.449 -176.411 8 AA_G11G8:A31C30_AA A 11 ? A 30 ? A 8 ? A 31 ? +1 A G 8 1_555 A A 31 1_555 A A 10 1_555 A A 32 1_555 -4.055 2.456 -4.978 157.360 49.497 53.057 2.169 -0.921 -5.035 25.992 +-82.634 166.552 9 AA_G8A10:A32A31_AA A 8 ? A 31 ? A 10 ? A 32 ? +1 A A 10 1_555 A A 32 1_555 A C 9 1_555 A G 33 1_555 1.139 0.882 -3.726 -2.066 -6.150 -63.619 -1.132 1.177 -3.601 5.818 +-1.955 -63.915 10 AA_A10C9:G33A32_AA A 10 ? A 32 ? A 9 ? A 33 ? +# +loop_ +_pdbx_audit_support.funding_organization +_pdbx_audit_support.country +_pdbx_audit_support.grant_number +_pdbx_audit_support.ordinal +'National Institutes of Health/National Heart, Lung, and Blood Institute (NIH/NHLBI)' 'United States' ? 1 +'National Institutes of Health/National Cancer Institute (NIH/NCI)' 'United States' ? 2 +'Japan Society for the Promotion of Science (JSPS)' Japan ? 3 +# +_pdbx_entity_instance_feature.ordinal 1 +_pdbx_entity_instance_feature.comp_id HNG +_pdbx_entity_instance_feature.asym_id ? +_pdbx_entity_instance_feature.seq_num ? +_pdbx_entity_instance_feature.auth_comp_id HNG +_pdbx_entity_instance_feature.auth_asym_id ? +_pdbx_entity_instance_feature.auth_seq_num ? +_pdbx_entity_instance_feature.feature_type 'SUBJECT OF INVESTIGATION' +_pdbx_entity_instance_feature.details ? +# +_atom_sites.entry_id 6E1W +_atom_sites.fract_transf_matrix[1][1] 0.019122 +_atom_sites.fract_transf_matrix[1][2] 0.011040 +_atom_sites.fract_transf_matrix[1][3] 0.000000 +_atom_sites.fract_transf_matrix[2][1] 0.000000 +_atom_sites.fract_transf_matrix[2][2] 0.022080 +_atom_sites.fract_transf_matrix[2][3] 0.000000 +_atom_sites.fract_transf_matrix[3][1] 0.000000 +_atom_sites.fract_transf_matrix[3][2] 0.000000 +_atom_sites.fract_transf_matrix[3][3] 0.005580 +_atom_sites.fract_transf_vector[1] 0.000000 +_atom_sites.fract_transf_vector[2] 0.000000 +_atom_sites.fract_transf_vector[3] 0.000000 +# +loop_ +_atom_type.symbol +C +MG +N +O +P +# +loop_ +_atom_site.group_PDB +_atom_site.id +_atom_site.type_symbol +_atom_site.label_atom_id +_atom_site.label_alt_id +_atom_site.label_comp_id +_atom_site.label_asym_id +_atom_site.label_entity_id +_atom_site.label_seq_id +_atom_site.pdbx_PDB_ins_code +_atom_site.Cartn_x +_atom_site.Cartn_y +_atom_site.Cartn_z +_atom_site.occupancy +_atom_site.B_iso_or_equiv +_atom_site.pdbx_formal_charge +_atom_site.auth_seq_id +_atom_site.auth_comp_id +_atom_site.auth_asym_id +_atom_site.auth_atom_id +_atom_site.pdbx_PDB_model_num +ATOM 1 O "O5'" . C A 1 1 ? 31.481 51.909 22.330 1.00 45.08 ? 1 C A "O5'" 1 +ATOM 2 C "C5'" . C A 1 1 ? 32.480 51.335 23.164 1.00 43.15 ? 1 C A "C5'" 1 +ATOM 3 C "C4'" . C A 1 1 ? 32.601 52.084 24.466 1.00 41.75 ? 1 C A "C4'" 1 +ATOM 4 O "O4'" . C A 1 1 ? 31.333 52.038 25.165 1.00 40.52 ? 1 C A "O4'" 1 +ATOM 5 C "C3'" . C A 1 1 ? 33.596 51.504 25.458 1.00 41.75 ? 1 C A "C3'" 1 +ATOM 6 O "O3'" . C A 1 1 ? 34.921 51.931 25.212 1.00 43.93 ? 1 C A "O3'" 1 +ATOM 7 C "C2'" . C A 1 1 ? 33.051 51.961 26.799 1.00 40.83 ? 1 C A "C2'" 1 +ATOM 8 O "O2'" . C A 1 1 ? 33.381 53.320 27.048 1.00 42.75 ? 1 C A "O2'" 1 +ATOM 9 C "C1'" . C A 1 1 ? 31.550 51.887 26.552 1.00 39.59 ? 1 C A "C1'" 1 +ATOM 10 N N1 . C A 1 1 ? 30.954 50.599 26.974 1.00 37.97 ? 1 C A N1 1 +ATOM 11 C C2 . C A 1 1 ? 30.849 50.326 28.336 1.00 37.23 ? 1 C A C2 1 +ATOM 12 O O2 . C A 1 1 ? 31.299 51.155 29.141 1.00 37.66 ? 1 C A O2 1 +ATOM 13 N N3 . C A 1 1 ? 30.282 49.163 28.734 1.00 36.62 ? 1 C A N3 1 +ATOM 14 C C4 . C A 1 1 ? 29.818 48.295 27.827 1.00 36.06 ? 1 C A C4 1 +ATOM 15 N N4 . C A 1 1 ? 29.253 47.165 28.272 1.00 35.63 ? 1 C A N4 1 +ATOM 16 C C5 . C A 1 1 ? 29.908 48.549 26.431 1.00 36.83 ? 1 C A C5 1 +ATOM 17 C C6 . C A 1 1 ? 30.478 49.706 26.051 1.00 37.62 ? 1 C A C6 1 +ATOM 18 P P . U A 1 2 ? 36.141 50.917 25.413 1.00 44.94 ? 2 U A P 1 +ATOM 19 O OP1 . U A 1 2 ? 37.373 51.613 24.962 1.00 47.38 ? 2 U A OP1 1 +ATOM 20 O OP2 . U A 1 2 ? 35.800 49.577 24.879 1.00 45.00 ? 2 U A OP2 1 +ATOM 21 O "O5'" . U A 1 2 ? 36.250 50.752 26.993 1.00 43.90 ? 2 U A "O5'" 1 +ATOM 22 C "C5'" . U A 1 2 ? 36.587 51.852 27.819 1.00 43.72 ? 2 U A "C5'" 1 +ATOM 23 C "C4'" . U A 1 2 ? 36.429 51.505 29.278 1.00 42.35 ? 2 U A "C4'" 1 +ATOM 24 O "O4'" . U A 1 2 ? 35.030 51.255 29.582 1.00 40.84 ? 2 U A "O4'" 1 +ATOM 25 C "C3'" . U A 1 2 ? 37.123 50.240 29.751 1.00 42.51 ? 2 U A "C3'" 1 +ATOM 26 O "O3'" . U A 1 2 ? 38.515 50.398 29.954 1.00 45.62 ? 2 U A "O3'" 1 +ATOM 27 C "C2'" . U A 1 2 ? 36.356 49.925 31.025 1.00 41.35 ? 2 U A "C2'" 1 +ATOM 28 O "O2'" . U A 1 2 ? 36.699 50.854 32.044 1.00 42.80 ? 2 U A "O2'" 1 +ATOM 29 C "C1'" . U A 1 2 ? 34.939 50.260 30.588 1.00 39.94 ? 2 U A "C1'" 1 +ATOM 30 N N1 . U A 1 2 ? 34.217 49.086 30.050 1.00 37.97 ? 2 U A N1 1 +ATOM 31 C C2 . U A 1 2 ? 33.688 48.204 30.983 1.00 36.92 ? 2 U A C2 1 +ATOM 32 O O2 . U A 1 2 ? 33.826 48.365 32.180 1.00 36.87 ? 2 U A O2 1 +ATOM 33 N N3 . U A 1 2 ? 32.996 47.141 30.462 1.00 36.54 ? 2 U A N3 1 +ATOM 34 C C4 . U A 1 2 ? 32.812 46.879 29.112 1.00 36.83 ? 2 U A C4 1 +ATOM 35 O O4 . U A 1 2 ? 32.156 45.885 28.782 1.00 37.03 ? 2 U A O4 1 +ATOM 36 C C5 . U A 1 2 ? 33.400 47.827 28.210 1.00 36.93 ? 2 U A C5 1 +ATOM 37 C C6 . U A 1 2 ? 34.069 48.878 28.697 1.00 37.67 ? 2 U A C6 1 +ATOM 38 P P . G A 1 3 ? 39.509 49.160 29.730 1.00 47.37 ? 3 G A P 1 +ATOM 39 O OP1 . G A 1 3 ? 40.888 49.718 29.773 1.00 49.80 ? 3 G A OP1 1 +ATOM 40 O OP2 . G A 1 3 ? 39.077 48.339 28.568 1.00 46.81 ? 3 G A OP2 1 +ATOM 41 O "O5'" . G A 1 3 ? 39.306 48.255 31.023 1.00 47.08 ? 3 G A "O5'" 1 +ATOM 42 C "C5'" . G A 1 3 ? 39.498 48.797 32.315 1.00 47.62 ? 3 G A "C5'" 1 +ATOM 43 C "C4'" . G A 1 3 ? 39.098 47.806 33.371 1.00 47.23 ? 3 G A "C4'" 1 +ATOM 44 O "O4'" . G A 1 3 ? 37.646 47.700 33.434 1.00 45.04 ? 3 G A "O4'" 1 +ATOM 45 C "C3'" . G A 1 3 ? 39.542 46.377 33.137 1.00 47.70 ? 3 G A "C3'" 1 +ATOM 46 O "O3'" . G A 1 3 ? 40.922 46.164 33.396 1.00 51.72 ? 3 G A "O3'" 1 +ATOM 47 C "C2'" . G A 1 3 ? 38.582 45.609 34.039 1.00 46.00 ? 3 G A "C2'" 1 +ATOM 48 O "O2'" . G A 1 3 ? 38.925 45.795 35.402 1.00 47.32 ? 3 G A "O2'" 1 +ATOM 49 C "C1'" . G A 1 3 ? 37.285 46.374 33.782 1.00 44.08 ? 3 G A "C1'" 1 +ATOM 50 N N9 . G A 1 3 ? 36.530 45.780 32.665 1.00 41.34 ? 3 G A N9 1 +ATOM 51 C C8 . G A 1 3 ? 36.576 46.145 31.343 1.00 40.20 ? 3 G A C8 1 +ATOM 52 N N7 . G A 1 3 ? 35.799 45.421 30.589 1.00 39.35 ? 3 G A N7 1 +ATOM 53 C C5 . G A 1 3 ? 35.216 44.519 31.469 1.00 39.21 ? 3 G A C5 1 +ATOM 54 C C6 . G A 1 3 ? 34.272 43.489 31.225 1.00 38.54 ? 3 G A C6 1 +ATOM 55 O O6 . G A 1 3 ? 33.779 43.155 30.136 1.00 39.27 ? 3 G A O6 1 +ATOM 56 N N1 . G A 1 3 ? 33.944 42.812 32.385 1.00 38.04 ? 3 G A N1 1 +ATOM 57 C C2 . G A 1 3 ? 34.448 43.083 33.625 1.00 39.37 ? 3 G A C2 1 +ATOM 58 N N2 . G A 1 3 ? 34.009 42.314 34.631 1.00 41.01 ? 3 G A N2 1 +ATOM 59 N N3 . G A 1 3 ? 35.323 44.050 33.878 1.00 40.32 ? 3 G A N3 1 +ATOM 60 C C4 . G A 1 3 ? 35.650 44.726 32.755 1.00 40.28 ? 3 G A C4 1 +ATOM 61 P P . G A 1 4 ? 41.636 44.824 32.878 1.00 53.42 ? 4 G A P 1 +ATOM 62 O OP1 . G A 1 4 ? 43.095 44.886 33.136 1.00 56.47 ? 4 G A OP1 1 +ATOM 63 O OP2 . G A 1 4 ? 41.132 44.397 31.544 1.00 52.01 ? 4 G A OP2 1 +ATOM 64 O "O5'" . G A 1 4 ? 41.123 43.784 33.948 1.00 52.97 ? 4 G A "O5'" 1 +ATOM 65 C "C5'" . G A 1 4 ? 40.790 42.497 33.532 1.00 49.89 ? 4 G A "C5'" 1 +ATOM 66 C "C4'" . G A 1 4 ? 40.008 41.777 34.577 1.00 46.99 ? 4 G A "C4'" 1 +ATOM 67 O "O4'" . G A 1 4 ? 38.634 42.257 34.553 1.00 44.00 ? 4 G A "O4'" 1 +ATOM 68 C "C3'" . G A 1 4 ? 39.921 40.304 34.242 1.00 46.09 ? 4 G A "C3'" 1 +ATOM 69 O "O3'" . G A 1 4 ? 40.972 39.573 34.831 1.00 48.07 ? 4 G A "O3'" 1 +ATOM 70 C "C2'" . G A 1 4 ? 38.531 39.912 34.692 1.00 44.62 ? 4 G A "C2'" 1 +ATOM 71 O "O2'" . G A 1 4 ? 38.517 39.725 36.095 1.00 46.56 ? 4 G A "O2'" 1 +ATOM 72 C "C1'" . G A 1 4 ? 37.759 41.180 34.352 1.00 42.44 ? 4 G A "C1'" 1 +ATOM 73 N N9 . G A 1 4 ? 37.366 41.215 32.921 1.00 39.74 ? 4 G A N9 1 +ATOM 74 C C8 . G A 1 4 ? 37.835 42.038 31.922 1.00 39.11 ? 4 G A C8 1 +ATOM 75 N N7 . G A 1 4 ? 37.255 41.839 30.761 1.00 38.00 ? 4 G A N7 1 +ATOM 76 C C5 . G A 1 4 ? 36.342 40.819 31.031 1.00 37.89 ? 4 G A C5 1 +ATOM 77 C C6 . G A 1 4 ? 35.410 40.166 30.188 1.00 37.72 ? 4 G A C6 1 +ATOM 78 O O6 . G A 1 4 ? 35.216 40.376 28.982 1.00 38.54 ? 4 G A O6 1 +ATOM 79 N N1 . G A 1 4 ? 34.684 39.203 30.880 1.00 37.76 ? 4 G A N1 1 +ATOM 80 C C2 . G A 1 4 ? 34.829 38.895 32.208 1.00 38.92 ? 4 G A C2 1 +ATOM 81 N N2 . G A 1 4 ? 34.041 37.929 32.710 1.00 40.52 ? 4 G A N2 1 +ATOM 82 N N3 . G A 1 4 ? 35.682 39.500 33.018 1.00 38.89 ? 4 G A N3 1 +ATOM 83 C C4 . G A 1 4 ? 36.397 40.437 32.354 1.00 38.84 ? 4 G A C4 1 +ATOM 84 P P . G A 1 5 ? 41.725 38.463 33.961 1.00 48.30 ? 5 G A P 1 +ATOM 85 O OP1 . G A 1 5 ? 42.846 37.938 34.781 1.00 51.12 ? 5 G A OP1 1 +ATOM 86 O OP2 . G A 1 5 ? 42.014 39.000 32.599 1.00 48.38 ? 5 G A OP2 1 +ATOM 87 O "O5'" . G A 1 5 ? 40.606 37.342 33.811 1.00 48.04 ? 5 G A "O5'" 1 +ATOM 88 C "C5'" . G A 1 5 ? 40.062 36.701 34.958 1.00 48.25 ? 5 G A "C5'" 1 +ATOM 89 C "C4'" . G A 1 5 ? 38.952 35.757 34.578 1.00 47.06 ? 5 G A "C4'" 1 +ATOM 90 O "O4'" . G A 1 5 ? 37.877 36.486 33.939 1.00 44.17 ? 5 G A "O4'" 1 +ATOM 91 C "C3'" . G A 1 5 ? 39.327 34.683 33.572 1.00 48.29 ? 5 G A "C3'" 1 +ATOM 92 O "O3'" . G A 1 5 ? 39.951 33.587 34.208 1.00 52.22 ? 5 G A "O3'" 1 +ATOM 93 C "C2'" . G A 1 5 ? 37.988 34.330 32.935 1.00 46.05 ? 5 G A "C2'" 1 +ATOM 94 O "O2'" . G A 1 5 ? 37.267 33.432 33.765 1.00 47.38 ? 5 G A "O2'" 1 +ATOM 95 C "C1'" . G A 1 5 ? 37.270 35.680 32.950 1.00 43.25 ? 5 G A "C1'" 1 +ATOM 96 N N9 . G A 1 5 ? 37.344 36.385 31.655 1.00 40.16 ? 5 G A N9 1 +ATOM 97 C C8 . G A 1 5 ? 38.245 37.363 31.302 1.00 39.93 ? 5 G A C8 1 +ATOM 98 N N7 . G A 1 5 ? 38.073 37.807 30.085 1.00 39.14 ? 5 G A N7 1 +ATOM 99 C C5 . G A 1 5 ? 36.969 37.101 29.620 1.00 38.49 ? 5 G A C5 1 +ATOM 100 C C6 . G A 1 5 ? 36.321 37.160 28.359 1.00 37.94 ? 5 G A C6 1 +ATOM 101 O O6 . G A 1 5 ? 36.581 37.898 27.414 1.00 37.73 ? 5 G A O6 1 +ATOM 102 N N1 . G A 1 5 ? 35.259 36.263 28.281 1.00 37.91 ? 5 G A N1 1 +ATOM 103 C C2 . G A 1 5 ? 34.888 35.411 29.295 1.00 38.67 ? 5 G A C2 1 +ATOM 104 N N2 . G A 1 5 ? 33.833 34.620 29.022 1.00 40.42 ? 5 G A N2 1 +ATOM 105 N N3 . G A 1 5 ? 35.480 35.340 30.485 1.00 38.45 ? 5 G A N3 1 +ATOM 106 C C4 . G A 1 5 ? 36.516 36.204 30.568 1.00 38.78 ? 5 G A C4 1 +ATOM 107 P P . U A 1 6 ? 40.919 32.594 33.406 1.00 55.05 ? 6 U A P 1 +ATOM 108 O OP1 . U A 1 6 ? 42.139 32.450 34.241 1.00 57.91 ? 6 U A OP1 1 +ATOM 109 O OP2 . U A 1 6 ? 41.025 33.001 31.983 1.00 53.44 ? 6 U A OP2 1 +ATOM 110 O "O5'" . U A 1 6 ? 40.137 31.209 33.440 1.00 54.40 ? 6 U A "O5'" 1 +ATOM 111 C "C5'" . U A 1 6 ? 39.874 30.576 34.681 1.00 54.54 ? 6 U A "C5'" 1 +ATOM 112 C "C4'" . U A 1 6 ? 38.825 29.508 34.538 1.00 53.39 ? 6 U A "C4'" 1 +ATOM 113 O "O4'" . U A 1 6 ? 37.540 30.114 34.246 1.00 51.20 ? 6 U A "O4'" 1 +ATOM 114 C "C3'" . U A 1 6 ? 39.016 28.521 33.400 1.00 52.75 ? 6 U A "C3'" 1 +ATOM 115 O "O3'" . U A 1 6 ? 39.979 27.521 33.670 1.00 54.71 ? 6 U A "O3'" 1 +ATOM 116 C "C2'" . U A 1 6 ? 37.608 27.976 33.223 1.00 52.44 ? 6 U A "C2'" 1 +ATOM 117 O "O2'" . U A 1 6 ? 37.298 27.054 34.263 1.00 54.89 ? 6 U A "O2'" 1 +ATOM 118 C "C1'" . U A 1 6 ? 36.781 29.244 33.431 1.00 50.43 ? 6 U A "C1'" 1 +ATOM 119 N N1 . U A 1 6 ? 36.500 29.908 32.142 1.00 47.58 ? 6 U A N1 1 +ATOM 120 C C2 . U A 1 6 ? 35.431 29.397 31.428 1.00 47.24 ? 6 U A C2 1 +ATOM 121 O O2 . U A 1 6 ? 34.748 28.471 31.847 1.00 48.99 ? 6 U A O2 1 +ATOM 122 N N3 . U A 1 6 ? 35.183 30.009 30.226 1.00 45.60 ? 6 U A N3 1 +ATOM 123 C C4 . U A 1 6 ? 35.913 31.043 29.673 1.00 43.91 ? 6 U A C4 1 +ATOM 124 O O4 . U A 1 6 ? 35.558 31.480 28.592 1.00 43.17 ? 6 U A O4 1 +ATOM 125 C C5 . U A 1 6 ? 37.019 31.512 30.461 1.00 44.30 ? 6 U A C5 1 +ATOM 126 C C6 . U A 1 6 ? 37.267 30.943 31.651 1.00 46.04 ? 6 U A C6 1 +ATOM 127 P P . C A 1 7 ? 40.959 27.007 32.504 1.00 55.67 ? 7 C A P 1 +ATOM 128 O OP1 . C A 1 7 ? 41.626 25.773 32.983 1.00 58.17 ? 7 C A OP1 1 +ATOM 129 O OP2 . C A 1 7 ? 41.766 28.168 32.031 1.00 54.96 ? 7 C A OP2 1 +ATOM 130 O "O5'" . C A 1 7 ? 39.979 26.633 31.305 1.00 53.60 ? 7 C A "O5'" 1 +ATOM 131 C "C5'" . C A 1 7 ? 39.107 25.515 31.369 1.00 53.59 ? 7 C A "C5'" 1 +ATOM 132 C "C4'" . C A 1 7 ? 38.153 25.502 30.198 1.00 51.84 ? 7 C A "C4'" 1 +ATOM 133 O "O4'" . C A 1 7 ? 37.474 26.784 30.080 1.00 49.47 ? 7 C A "O4'" 1 +ATOM 134 C "C3'" . C A 1 7 ? 38.790 25.301 28.835 1.00 51.74 ? 7 C A "C3'" 1 +ATOM 135 O "O3'" . C A 1 7 ? 39.100 23.945 28.581 1.00 54.20 ? 7 C A "O3'" 1 +ATOM 136 C "C2'" . C A 1 7 ? 37.745 25.887 27.898 1.00 50.76 ? 7 C A "C2'" 1 +ATOM 137 O "O2'" . C A 1 7 ? 36.674 24.973 27.713 1.00 52.35 ? 7 C A "O2'" 1 +ATOM 138 C "C1'" . C A 1 7 ? 37.249 27.086 28.718 1.00 48.13 ? 7 C A "C1'" 1 +ATOM 139 N N1 . C A 1 7 ? 38.021 28.302 28.371 1.00 46.60 ? 7 C A N1 1 +ATOM 140 C C2 . C A 1 7 ? 37.702 28.968 27.188 1.00 45.67 ? 7 C A C2 1 +ATOM 141 O O2 . C A 1 7 ? 36.746 28.559 26.506 1.00 45.50 ? 7 C A O2 1 +ATOM 142 N N3 . C A 1 7 ? 38.432 30.056 26.820 1.00 45.43 ? 7 C A N3 1 +ATOM 143 C C4 . C A 1 7 ? 39.455 30.483 27.572 1.00 45.10 ? 7 C A C4 1 +ATOM 144 N N4 . C A 1 7 ? 40.136 31.557 27.151 1.00 43.87 ? 7 C A N4 1 +ATOM 145 C C5 . C A 1 7 ? 39.806 29.812 28.785 1.00 45.98 ? 7 C A C5 1 +ATOM 146 C C6 . C A 1 7 ? 39.077 28.740 29.133 1.00 46.41 ? 7 C A C6 1 +ATOM 147 P P . G A 1 8 ? 40.555 23.525 28.048 1.00 55.61 ? 8 G A P 1 +ATOM 148 O OP1 . G A 1 8 ? 40.571 22.052 27.902 1.00 58.19 ? 8 G A OP1 1 +ATOM 149 O OP2 . G A 1 8 ? 41.600 24.211 28.847 1.00 56.07 ? 8 G A OP2 1 +ATOM 150 O "O5'" . G A 1 8 ? 40.591 24.143 26.584 1.00 54.06 ? 8 G A "O5'" 1 +ATOM 151 C "C5'" . G A 1 8 ? 39.655 23.722 25.608 1.00 54.11 ? 8 G A "C5'" 1 +ATOM 152 C "C4'" . G A 1 8 ? 39.671 24.632 24.406 1.00 53.32 ? 8 G A "C4'" 1 +ATOM 153 O "O4'" . G A 1 8 ? 39.292 25.977 24.796 1.00 50.92 ? 8 G A "O4'" 1 +ATOM 154 C "C3'" . G A 1 8 ? 41.013 24.819 23.719 1.00 56.02 ? 8 G A "C3'" 1 +ATOM 155 O "O3'" . G A 1 8 ? 41.341 23.744 22.860 1.00 60.78 ? 8 G A "O3'" 1 +ATOM 156 C "C2'" . G A 1 8 ? 40.812 26.131 22.976 1.00 53.99 ? 8 G A "C2'" 1 +ATOM 157 O "O2'" . G A 1 8 ? 40.067 25.908 21.790 1.00 54.20 ? 8 G A "O2'" 1 +ATOM 158 C "C1'" . G A 1 8 ? 39.955 26.919 23.974 1.00 51.52 ? 8 G A "C1'" 1 +ATOM 159 N N9 . G A 1 8 ? 40.823 27.779 24.804 1.00 51.00 ? 8 G A N9 1 +ATOM 160 C C8 . G A 1 8 ? 41.351 27.537 26.064 1.00 51.85 ? 8 G A C8 1 +ATOM 161 N N7 . G A 1 8 ? 42.144 28.500 26.476 1.00 51.28 ? 8 G A N7 1 +ATOM 162 C C5 . G A 1 8 ? 42.158 29.414 25.421 1.00 50.95 ? 8 G A C5 1 +ATOM 163 C C6 . G A 1 8 ? 42.834 30.656 25.252 1.00 51.95 ? 8 G A C6 1 +ATOM 164 O O6 . G A 1 8 ? 43.598 31.230 26.033 1.00 53.19 ? 8 G A O6 1 +ATOM 165 N N1 . G A 1 8 ? 42.565 31.249 24.017 1.00 50.73 ? 8 G A N1 1 +ATOM 166 C C2 . G A 1 8 ? 41.743 30.727 23.056 1.00 49.55 ? 8 G A C2 1 +ATOM 167 N N2 . G A 1 8 ? 41.603 31.450 21.929 1.00 48.59 ? 8 G A N2 1 +ATOM 168 N N3 . G A 1 8 ? 41.102 29.580 23.207 1.00 49.54 ? 8 G A N3 1 +ATOM 169 C C4 . G A 1 8 ? 41.362 28.973 24.384 1.00 50.57 ? 8 G A C4 1 +ATOM 170 P P . C A 1 9 ? 42.742 22.967 23.017 1.00 49.99 ? 9 C A P 1 +ATOM 171 O OP1 . C A 1 9 ? 42.667 21.764 22.163 1.00 51.55 ? 9 C A OP1 1 +ATOM 172 O OP2 . C A 1 9 ? 43.076 22.836 24.460 1.00 51.78 ? 9 C A OP2 1 +ATOM 173 O "O5'" . C A 1 9 ? 43.811 23.982 22.411 1.00 49.93 ? 9 C A "O5'" 1 +ATOM 174 C "C5'" . C A 1 9 ? 45.201 23.716 22.525 1.00 51.89 ? 9 C A "C5'" 1 +ATOM 175 C "C4'" . C A 1 9 ? 45.996 24.555 21.563 1.00 51.93 ? 9 C A "C4'" 1 +ATOM 176 O "O4'" . C A 1 9 ? 45.823 24.047 20.214 1.00 50.96 ? 9 C A "O4'" 1 +ATOM 177 C "C3'" . C A 1 9 ? 45.581 26.012 21.464 1.00 49.03 ? 9 C A "C3'" 1 +ATOM 178 O "O3'" . C A 1 9 ? 46.144 26.807 22.486 1.00 50.34 ? 9 C A "O3'" 1 +ATOM 179 C "C2'" . C A 1 9 ? 46.062 26.402 20.076 1.00 50.35 ? 9 C A "C2'" 1 +ATOM 180 O "O2'" . C A 1 9 ? 47.467 26.611 20.077 1.00 53.45 ? 9 C A "O2'" 1 +ATOM 181 C "C1'" . C A 1 9 ? 45.794 25.124 19.301 1.00 50.27 ? 9 C A "C1'" 1 +ATOM 182 N N1 . C A 1 9 ? 44.500 25.116 18.587 1.00 46.42 ? 9 C A N1 1 +ATOM 183 C C2 . C A 1 9 ? 44.439 25.822 17.382 1.00 46.40 ? 9 C A C2 1 +ATOM 184 O O2 . C A 1 9 ? 45.439 26.458 17.006 1.00 48.96 ? 9 C A O2 1 +ATOM 185 N N3 . C A 1 9 ? 43.298 25.782 16.667 1.00 44.04 ? 9 C A N3 1 +ATOM 186 C C4 . C A 1 9 ? 42.251 25.074 17.099 1.00 42.61 ? 9 C A C4 1 +ATOM 187 N N4 . C A 1 9 ? 41.154 25.061 16.322 1.00 42.76 ? 9 C A N4 1 +ATOM 188 C C5 . C A 1 9 ? 42.292 24.323 18.318 1.00 41.66 ? 9 C A C5 1 +ATOM 189 C C6 . C A 1 9 ? 43.435 24.371 19.023 1.00 43.97 ? 9 C A C6 1 +ATOM 190 P P . A A 1 10 ? 45.299 28.013 23.109 1.00 47.90 ? 10 A A P 1 +ATOM 191 O OP1 . A A 1 10 ? 46.215 28.681 24.068 1.00 50.51 ? 10 A A OP1 1 +ATOM 192 O OP2 . A A 1 10 ? 43.977 27.474 23.530 1.00 44.20 ? 10 A A OP2 1 +ATOM 193 O "O5'" . A A 1 10 ? 45.039 29.000 21.882 1.00 46.87 ? 10 A A "O5'" 1 +ATOM 194 C "C5'" . A A 1 10 ? 46.104 29.670 21.216 1.00 49.23 ? 10 A A "C5'" 1 +ATOM 195 C "C4'" . A A 1 10 ? 45.607 30.306 19.944 1.00 47.94 ? 10 A A "C4'" 1 +ATOM 196 O "O4'" . A A 1 10 ? 44.970 29.295 19.133 1.00 46.39 ? 10 A A "O4'" 1 +ATOM 197 C "C3'" . A A 1 10 ? 44.541 31.375 20.131 1.00 45.00 ? 10 A A "C3'" 1 +ATOM 198 O "O3'" . A A 1 10 ? 45.130 32.642 20.346 1.00 47.21 ? 10 A A "O3'" 1 +ATOM 199 C "C2'" . A A 1 10 ? 43.727 31.302 18.838 1.00 44.13 ? 10 A A "C2'" 1 +ATOM 200 O "O2'" . A A 1 10 ? 44.360 32.051 17.809 1.00 47.47 ? 10 A A "O2'" 1 +ATOM 201 C "C1'" . A A 1 10 ? 43.853 29.827 18.467 1.00 44.59 ? 10 A A "C1'" 1 +ATOM 202 N N9 . A A 1 10 ? 42.692 28.975 18.792 1.00 41.50 ? 10 A A N9 1 +ATOM 203 C C8 . A A 1 10 ? 42.473 28.209 19.916 1.00 41.23 ? 10 A A C8 1 +ATOM 204 N N7 . A A 1 10 ? 41.374 27.496 19.854 1.00 38.80 ? 10 A A N7 1 +ATOM 205 C C5 . A A 1 10 ? 40.856 27.782 18.586 1.00 38.60 ? 10 A A C5 1 +ATOM 206 C C6 . A A 1 10 ? 39.709 27.350 17.890 1.00 38.89 ? 10 A A C6 1 +ATOM 207 N N6 . A A 1 10 ? 38.818 26.472 18.377 1.00 39.16 ? 10 A A N6 1 +ATOM 208 N N1 . A A 1 10 ? 39.486 27.870 16.668 1.00 39.04 ? 10 A A N1 1 +ATOM 209 C C2 . A A 1 10 ? 40.368 28.734 16.161 1.00 39.92 ? 10 A A C2 1 +ATOM 210 N N3 . A A 1 10 ? 41.484 29.206 16.704 1.00 40.83 ? 10 A A N3 1 +ATOM 211 C C4 . A A 1 10 ? 41.666 28.684 17.929 1.00 40.86 ? 10 A A C4 1 +ATOM 212 P P . G A 1 11 ? 44.648 33.575 21.564 1.00 46.63 ? 11 G A P 1 +ATOM 213 O OP1 . G A 1 11 ? 45.464 34.813 21.447 1.00 49.76 ? 11 G A OP1 1 +ATOM 214 O OP2 . G A 1 11 ? 44.602 32.789 22.829 1.00 47.06 ? 11 G A OP2 1 +ATOM 215 O "O5'" . G A 1 11 ? 43.160 33.920 21.180 1.00 43.01 ? 11 G A "O5'" 1 +ATOM 216 C "C5'" . G A 1 11 ? 42.884 34.732 20.051 1.00 43.76 ? 11 G A "C5'" 1 +ATOM 217 C "C4'" . G A 1 11 ? 41.831 35.744 20.397 1.00 44.25 ? 11 G A "C4'" 1 +ATOM 218 O "O4'" . G A 1 11 ? 40.656 35.027 20.852 1.00 39.92 ? 11 G A "O4'" 1 +ATOM 219 C "C3'" . G A 1 11 ? 42.213 36.707 21.525 1.00 48.64 ? 11 G A "C3'" 1 +ATOM 220 O "O3'" . G A 1 11 ? 41.626 37.980 21.281 1.00 49.30 ? 11 G A "O3'" 1 +ATOM 221 C "C2'" . G A 1 11 ? 41.562 36.081 22.755 1.00 40.70 ? 11 G A "C2'" 1 +ATOM 222 O "O2'" . G A 1 11 ? 41.239 37.007 23.778 1.00 41.22 ? 11 G A "O2'" 1 +ATOM 223 C "C1'" . G A 1 11 ? 40.307 35.455 22.163 1.00 39.49 ? 11 G A "C1'" 1 +ATOM 224 N N9 . G A 1 11 ? 39.852 34.287 22.911 1.00 38.22 ? 11 G A N9 1 +ATOM 225 C C8 . G A 1 11 ? 40.379 33.828 24.105 1.00 38.87 ? 11 G A C8 1 +ATOM 226 N N7 . G A 1 11 ? 39.758 32.762 24.542 1.00 38.04 ? 11 G A N7 1 +ATOM 227 C C5 . G A 1 11 ? 38.775 32.509 23.595 1.00 36.20 ? 11 G A C5 1 +ATOM 228 C C6 . G A 1 11 ? 37.781 31.498 23.533 1.00 36.81 ? 11 G A C6 1 +ATOM 229 O O6 . G A 1 11 ? 37.549 30.562 24.306 1.00 38.06 ? 11 G A O6 1 +ATOM 230 N N1 . G A 1 11 ? 36.984 31.612 22.406 1.00 35.53 ? 11 G A N1 1 +ATOM 231 C C2 . G A 1 11 ? 37.111 32.587 21.452 1.00 35.34 ? 11 G A C2 1 +ATOM 232 N N2 . G A 1 11 ? 36.236 32.500 20.432 1.00 34.60 ? 11 G A N2 1 +ATOM 233 N N3 . G A 1 11 ? 38.030 33.538 21.488 1.00 35.88 ? 11 G A N3 1 +ATOM 234 C C4 . G A 1 11 ? 38.819 33.446 22.583 1.00 36.73 ? 11 G A C4 1 +ATOM 235 P P . U A 1 12 ? 42.398 39.059 20.382 1.00 54.07 ? 12 U A P 1 +ATOM 236 O OP1 . U A 1 12 ? 43.812 38.628 20.258 1.00 57.22 ? 12 U A OP1 1 +ATOM 237 O OP2 . U A 1 12 ? 42.099 40.414 20.897 1.00 56.62 ? 12 U A OP2 1 +ATOM 238 O "O5'" . U A 1 12 ? 41.685 38.916 18.966 1.00 56.19 ? 12 U A "O5'" 1 +ATOM 239 C "C5'" . U A 1 12 ? 41.907 39.864 17.925 1.00 60.37 ? 12 U A "C5'" 1 +ATOM 240 C "C4'" . U A 1 12 ? 40.611 40.481 17.460 1.00 60.81 ? 12 U A "C4'" 1 +ATOM 241 O "O4'" . U A 1 12 ? 39.702 39.424 17.032 1.00 57.10 ? 12 U A "O4'" 1 +ATOM 242 C "C3'" . U A 1 12 ? 39.853 41.277 18.524 1.00 62.24 ? 12 U A "C3'" 1 +ATOM 243 O "O3'" . U A 1 12 ? 39.133 42.331 17.883 1.00 68.01 ? 12 U A "O3'" 1 +ATOM 244 C "C2'" . U A 1 12 ? 38.862 40.243 19.050 1.00 56.75 ? 12 U A "C2'" 1 +ATOM 245 O "O2'" . U A 1 12 ? 37.734 40.766 19.719 1.00 56.97 ? 12 U A "O2'" 1 +ATOM 246 C "C1'" . U A 1 12 ? 38.491 39.526 17.761 1.00 54.03 ? 12 U A "C1'" 1 +ATOM 247 N N1 . U A 1 12 ? 37.928 38.182 17.943 1.00 47.53 ? 12 U A N1 1 +ATOM 248 C C2 . U A 1 12 ? 36.785 37.919 17.225 1.00 45.20 ? 12 U A C2 1 +ATOM 249 O O2 . U A 1 12 ? 36.279 38.740 16.494 1.00 46.72 ? 12 U A O2 1 +ATOM 250 N N3 . U A 1 12 ? 36.252 36.675 17.392 1.00 41.69 ? 12 U A N3 1 +ATOM 251 C C4 . U A 1 12 ? 36.752 35.674 18.200 1.00 39.92 ? 12 U A C4 1 +ATOM 252 O O4 . U A 1 12 ? 36.155 34.595 18.230 1.00 38.16 ? 12 U A O4 1 +ATOM 253 C C5 . U A 1 12 ? 37.945 36.018 18.920 1.00 40.91 ? 12 U A C5 1 +ATOM 254 C C6 . U A 1 12 ? 38.486 37.237 18.774 1.00 44.35 ? 12 U A C6 1 +ATOM 255 P P . N A 1 13 ? 39.769 43.804 17.754 1.00 75.58 ? 13 N A P 1 +ATOM 256 O OP1 . N A 1 13 ? 39.115 44.457 16.558 1.00 78.64 ? 13 N A OP1 1 +ATOM 257 O OP2 . N A 1 13 ? 41.274 43.658 17.784 1.00 77.76 ? 13 N A OP2 1 +ATOM 258 O "O5'" . N A 1 13 ? 39.279 44.551 19.098 1.00 75.40 ? 13 N A "O5'" 1 +ATOM 259 O "O3'" . N A 1 13 ? 36.647 46.335 16.669 1.00 90.65 ? 13 N A "O3'" 1 +ATOM 260 P P . N A 1 14 ? 35.104 46.374 16.209 1.00 90.06 ? 14 N A P 1 +ATOM 261 O OP1 . N A 1 14 ? 34.943 47.445 15.154 1.00 95.99 ? 14 N A OP1 1 +ATOM 262 O OP2 . N A 1 14 ? 34.241 46.401 17.453 1.00 89.49 ? 14 N A OP2 1 +ATOM 263 O "O5'" . N A 1 14 ? 34.880 44.962 15.504 1.00 84.54 ? 14 N A "O5'" 1 +ATOM 264 C "C5'" . N A 1 14 ? 34.518 43.819 16.258 1.00 76.32 ? 14 N A "C5'" 1 +ATOM 265 C "C4'" . N A 1 14 ? 34.143 42.675 15.352 1.00 71.42 ? 14 N A "C4'" 1 +ATOM 266 O "O4'" . N A 1 14 ? 35.315 42.219 14.624 1.00 70.61 ? 14 N A "O4'" 1 +ATOM 267 C "C3'" . N A 1 14 ? 33.611 41.431 16.048 1.00 65.15 ? 14 N A "C3'" 1 +ATOM 268 O "O3'" . N A 1 14 ? 32.221 41.534 16.341 1.00 63.03 ? 14 N A "O3'" 1 +ATOM 269 C "C2'" . N A 1 14 ? 33.974 40.301 15.075 1.00 64.19 ? 14 N A "C2'" 1 +ATOM 270 O "O2'" . N A 1 14 ? 33.016 40.170 14.034 1.00 65.66 ? 14 N A "O2'" 1 +ATOM 271 C "C1'" . N A 1 14 ? 35.280 40.817 14.465 1.00 66.78 ? 14 N A "C1'" 1 +ATOM 272 P P . C A 1 15 ? 31.664 41.361 17.847 1.00 59.04 ? 15 C A P 1 +ATOM 273 O OP1 . C A 1 15 ? 30.220 41.705 17.841 1.00 61.59 ? 15 C A OP1 1 +ATOM 274 O OP2 . C A 1 15 ? 32.583 42.060 18.785 1.00 58.47 ? 15 C A OP2 1 +ATOM 275 O "O5'" . C A 1 15 ? 31.723 39.794 18.101 1.00 53.46 ? 15 C A "O5'" 1 +ATOM 276 C "C5'" . C A 1 15 ? 31.062 38.896 17.222 1.00 51.44 ? 15 C A "C5'" 1 +ATOM 277 C "C4'" . C A 1 15 ? 31.130 37.488 17.742 1.00 46.99 ? 15 C A "C4'" 1 +ATOM 278 O "O4'" . C A 1 15 ? 32.500 37.022 17.689 1.00 44.45 ? 15 C A "O4'" 1 +ATOM 279 C "C3'" . C A 1 15 ? 30.747 37.311 19.202 1.00 45.63 ? 15 C A "C3'" 1 +ATOM 280 O "O3'" . C A 1 15 ? 29.356 37.249 19.414 1.00 47.64 ? 15 C A "O3'" 1 +ATOM 281 C "C2'" . C A 1 15 ? 31.469 36.031 19.582 1.00 42.67 ? 15 C A "C2'" 1 +ATOM 282 O "O2'" . C A 1 15 ? 30.795 34.891 19.067 1.00 43.21 ? 15 C A "O2'" 1 +ATOM 283 C "C1'" . C A 1 15 ? 32.766 36.191 18.807 1.00 41.55 ? 15 C A "C1'" 1 +ATOM 284 N N1 . C A 1 15 ? 33.822 36.820 19.627 1.00 40.35 ? 15 C A N1 1 +ATOM 285 C C2 . C A 1 15 ? 34.415 36.043 20.631 1.00 38.63 ? 15 C A C2 1 +ATOM 286 O O2 . C A 1 15 ? 34.024 34.878 20.795 1.00 38.22 ? 15 C A O2 1 +ATOM 287 N N3 . C A 1 15 ? 35.395 36.582 21.394 1.00 38.14 ? 15 C A N3 1 +ATOM 288 C C4 . C A 1 15 ? 35.788 37.830 21.180 1.00 39.57 ? 15 C A C4 1 +ATOM 289 N N4 . C A 1 15 ? 36.768 38.307 21.955 1.00 39.96 ? 15 C A N4 1 +ATOM 290 C C5 . C A 1 15 ? 35.189 38.655 20.168 1.00 41.47 ? 15 C A C5 1 +ATOM 291 C C6 . C A 1 15 ? 34.217 38.111 19.424 1.00 41.39 ? 15 C A C6 1 +ATOM 292 P P . C A 1 16 ? 28.757 37.679 20.835 1.00 49.73 ? 16 C A P 1 +ATOM 293 O OP1 . C A 1 16 ? 27.276 37.596 20.724 1.00 52.87 ? 16 C A OP1 1 +ATOM 294 O OP2 . C A 1 16 ? 29.357 38.969 21.263 1.00 49.97 ? 16 C A OP2 1 +ATOM 295 O "O5'" . C A 1 16 ? 29.268 36.550 21.833 1.00 47.08 ? 16 C A "O5'" 1 +ATOM 296 C "C5'" . C A 1 16 ? 28.665 35.268 21.852 1.00 47.26 ? 16 C A "C5'" 1 +ATOM 297 C "C4'" . C A 1 16 ? 29.103 34.476 23.059 1.00 46.25 ? 16 C A "C4'" 1 +ATOM 298 O "O4'" . C A 1 16 ? 30.542 34.289 23.036 1.00 44.03 ? 16 C A "O4'" 1 +ATOM 299 C "C3'" . C A 1 16 ? 28.846 35.107 24.418 1.00 48.11 ? 16 C A "C3'" 1 +ATOM 300 O "O3'" . C A 1 16 ? 27.513 34.956 24.854 1.00 50.32 ? 16 C A "O3'" 1 +ATOM 301 C "C2'" . C A 1 16 ? 29.837 34.375 25.301 1.00 46.84 ? 16 C A "C2'" 1 +ATOM 302 O "O2'" . C A 1 16 ? 29.365 33.062 25.571 1.00 47.71 ? 16 C A "O2'" 1 +ATOM 303 C "C1'" . C A 1 16 ? 31.034 34.261 24.363 1.00 43.75 ? 16 C A "C1'" 1 +ATOM 304 N N1 . C A 1 16 ? 32.007 35.365 24.544 1.00 43.03 ? 16 C A N1 1 +ATOM 305 C C2 . C A 1 16 ? 32.814 35.351 25.680 1.00 42.18 ? 16 C A C2 1 +ATOM 306 O O2 . C A 1 16 ? 32.650 34.447 26.515 1.00 42.41 ? 16 C A O2 1 +ATOM 307 N N3 . C A 1 16 ? 33.728 36.332 25.856 1.00 41.29 ? 16 C A N3 1 +ATOM 308 C C4 . C A 1 16 ? 33.872 37.279 24.942 1.00 40.52 ? 16 C A C4 1 +ATOM 309 N N4 . C A 1 16 ? 34.793 38.212 25.174 1.00 40.81 ? 16 C A N4 1 +ATOM 310 C C5 . C A 1 16 ? 33.072 37.319 23.762 1.00 41.07 ? 16 C A C5 1 +ATOM 311 C C6 . C A 1 16 ? 32.166 36.347 23.605 1.00 42.35 ? 16 C A C6 1 +ATOM 312 P P . C A 1 17 ? 26.863 36.025 25.849 1.00 50.02 ? 17 C A P 1 +ATOM 313 O OP1 . C A 1 17 ? 25.414 35.706 25.905 1.00 49.92 ? 17 C A OP1 1 +ATOM 314 O OP2 . C A 1 17 ? 27.297 37.396 25.464 1.00 48.77 ? 17 C A OP2 1 +ATOM 315 O "O5'" . C A 1 17 ? 27.538 35.718 27.258 1.00 49.05 ? 17 C A "O5'" 1 +ATOM 316 C "C5'" . C A 1 17 ? 27.384 34.458 27.891 1.00 50.76 ? 17 C A "C5'" 1 +ATOM 317 C "C4'" . C A 1 17 ? 28.176 34.393 29.172 1.00 50.56 ? 17 C A "C4'" 1 +ATOM 318 O "O4'" . C A 1 17 ? 29.597 34.432 28.882 1.00 51.05 ? 17 C A "O4'" 1 +ATOM 319 C "C3'" . C A 1 17 ? 27.974 35.554 30.132 1.00 48.21 ? 17 C A "C3'" 1 +ATOM 320 O "O3'" . C A 1 17 ? 26.802 35.438 30.907 1.00 48.48 ? 17 C A "O3'" 1 +ATOM 321 C "C2'" . C A 1 17 ? 29.247 35.518 30.957 1.00 48.28 ? 17 C A "C2'" 1 +ATOM 322 O "O2'" . C A 1 17 ? 29.208 34.430 31.869 1.00 50.45 ? 17 C A "O2'" 1 +ATOM 323 C "C1'" . C A 1 17 ? 30.268 35.165 29.891 1.00 49.28 ? 17 C A "C1'" 1 +ATOM 324 N N1 . C A 1 17 ? 30.928 36.343 29.276 1.00 46.54 ? 17 C A N1 1 +ATOM 325 C C2 . C A 1 17 ? 32.008 36.939 29.944 1.00 44.81 ? 17 C A C2 1 +ATOM 326 O O2 . C A 1 17 ? 32.332 36.506 31.061 1.00 43.83 ? 17 C A O2 1 +ATOM 327 N N3 . C A 1 17 ? 32.663 37.970 29.356 1.00 43.66 ? 17 C A N3 1 +ATOM 328 C C4 . C A 1 17 ? 32.285 38.406 28.150 1.00 43.51 ? 17 C A C4 1 +ATOM 329 N N4 . C A 1 17 ? 32.963 39.420 27.606 1.00 43.15 ? 17 C A N4 1 +ATOM 330 C C5 . C A 1 17 ? 31.201 37.813 27.442 1.00 44.36 ? 17 C A C5 1 +ATOM 331 C C6 . C A 1 17 ? 30.563 36.792 28.034 1.00 45.96 ? 17 C A C6 1 +ATOM 332 P P . C A 1 18 ? 26.093 36.763 31.460 1.00 47.37 ? 18 C A P 1 +ATOM 333 O OP1 . C A 1 18 ? 24.838 36.303 32.121 1.00 48.64 ? 18 C A OP1 1 +ATOM 334 O OP2 . C A 1 18 ? 26.045 37.796 30.391 1.00 45.69 ? 18 C A OP2 1 +ATOM 335 O "O5'" . C A 1 18 ? 27.070 37.284 32.612 1.00 46.08 ? 18 C A "O5'" 1 +ATOM 336 C "C5'" . C A 1 18 ? 27.289 36.512 33.787 1.00 46.90 ? 18 C A "C5'" 1 +ATOM 337 C "C4'" . C A 1 18 ? 28.350 37.117 34.675 1.00 45.60 ? 18 C A "C4'" 1 +ATOM 338 O "O4'" . C A 1 18 ? 29.637 37.113 33.994 1.00 45.49 ? 18 C A "O4'" 1 +ATOM 339 C "C3'" . C A 1 18 ? 28.158 38.574 35.062 1.00 43.13 ? 18 C A "C3'" 1 +ATOM 340 O "O3'" . C A 1 18 ? 27.212 38.770 36.100 1.00 43.58 ? 18 C A "O3'" 1 +ATOM 341 C "C2'" . C A 1 18 ? 29.568 38.994 35.435 1.00 42.64 ? 18 C A "C2'" 1 +ATOM 342 O "O2'" . C A 1 18 ? 29.939 38.438 36.685 1.00 44.52 ? 18 C A "O2'" 1 +ATOM 343 C "C1'" . C A 1 18 ? 30.375 38.261 34.369 1.00 43.64 ? 18 C A "C1'" 1 +ATOM 344 N N1 . C A 1 18 ? 30.607 39.087 33.169 1.00 41.80 ? 18 C A N1 1 +ATOM 345 C C2 . C A 1 18 ? 31.662 40.005 33.217 1.00 40.76 ? 18 C A C2 1 +ATOM 346 O O2 . C A 1 18 ? 32.311 40.102 34.277 1.00 41.09 ? 18 C A O2 1 +ATOM 347 N N3 . C A 1 18 ? 31.937 40.747 32.115 1.00 39.91 ? 18 C A N3 1 +ATOM 348 C C4 . C A 1 18 ? 31.205 40.597 31.006 1.00 40.14 ? 18 C A C4 1 +ATOM 349 N N4 . C A 1 18 ? 31.507 41.352 29.943 1.00 39.98 ? 18 C A N4 1 +ATOM 350 C C5 . C A 1 18 ? 30.121 39.667 30.929 1.00 40.98 ? 18 C A C5 1 +ATOM 351 C C6 . C A 1 18 ? 29.863 38.934 32.028 1.00 41.75 ? 18 C A C6 1 +ATOM 352 P P . A A 1 19 ? 26.327 40.107 36.107 1.00 43.27 ? 19 A A P 1 +ATOM 353 O OP1 . A A 1 19 ? 25.280 39.877 37.143 1.00 44.84 ? 19 A A OP1 1 +ATOM 354 O OP2 . A A 1 19 ? 25.961 40.497 34.710 1.00 42.53 ? 19 A A OP2 1 +ATOM 355 O "O5'" . A A 1 19 ? 27.317 41.228 36.657 1.00 42.21 ? 19 A A "O5'" 1 +ATOM 356 C "C5'" . A A 1 19 ? 27.784 41.187 37.995 1.00 43.09 ? 19 A A "C5'" 1 +ATOM 357 C "C4'" . A A 1 19 ? 28.991 42.067 38.166 1.00 41.64 ? 19 A A "C4'" 1 +ATOM 358 O "O4'" . A A 1 19 ? 29.966 41.756 37.143 1.00 40.71 ? 19 A A "O4'" 1 +ATOM 359 C "C3'" . A A 1 19 ? 28.753 43.559 37.999 1.00 40.42 ? 19 A A "C3'" 1 +ATOM 360 O "O3'" . A A 1 19 ? 28.265 44.156 39.184 1.00 40.90 ? 19 A A "O3'" 1 +ATOM 361 C "C2'" . A A 1 19 ? 30.131 44.061 37.632 1.00 39.33 ? 19 A A "C2'" 1 +ATOM 362 O "O2'" . A A 1 19 ? 30.957 44.031 38.790 1.00 40.26 ? 19 A A "O2'" 1 +ATOM 363 C "C1'" . A A 1 19 ? 30.615 42.940 36.734 1.00 39.44 ? 19 A A "C1'" 1 +ATOM 364 N N9 . A A 1 19 ? 30.350 43.146 35.304 1.00 38.43 ? 19 A A N9 1 +ATOM 365 C C8 . A A 1 19 ? 29.497 42.405 34.519 1.00 38.70 ? 19 A A C8 1 +ATOM 366 N N7 . A A 1 19 ? 29.535 42.747 33.250 1.00 37.68 ? 19 A A N7 1 +ATOM 367 C C5 . A A 1 19 ? 30.479 43.769 33.185 1.00 36.69 ? 19 A A C5 1 +ATOM 368 C C6 . A A 1 19 ? 30.972 44.539 32.107 1.00 36.46 ? 19 A A C6 1 +ATOM 369 N N6 . A A 1 19 ? 30.576 44.396 30.828 1.00 36.20 ? 19 A A N6 1 +ATOM 370 N N1 . A A 1 19 ? 31.907 45.471 32.396 1.00 35.85 ? 19 A A N1 1 +ATOM 371 C C2 . A A 1 19 ? 32.309 45.610 33.670 1.00 35.44 ? 19 A A C2 1 +ATOM 372 N N3 . A A 1 19 ? 31.923 44.940 34.760 1.00 36.20 ? 19 A A N3 1 +ATOM 373 C C4 . A A 1 19 ? 31.002 44.016 34.446 1.00 37.04 ? 19 A A C4 1 +ATOM 374 P P . G A 1 20 ? 27.466 45.546 39.135 1.00 42.61 ? 20 G A P 1 +ATOM 375 O OP1 . G A 1 20 ? 27.029 45.840 40.530 1.00 43.62 ? 20 G A OP1 1 +ATOM 376 O OP2 . G A 1 20 ? 26.459 45.453 38.044 1.00 42.18 ? 20 G A OP2 1 +ATOM 377 O "O5'" . G A 1 20 ? 28.542 46.627 38.682 1.00 40.79 ? 20 G A "O5'" 1 +ATOM 378 C "C5'" . G A 1 20 ? 29.651 46.981 39.499 1.00 41.18 ? 20 G A "C5'" 1 +ATOM 379 C "C4'" . G A 1 20 ? 30.400 48.144 38.898 1.00 40.13 ? 20 G A "C4'" 1 +ATOM 380 O "O4'" . G A 1 20 ? 30.728 47.831 37.514 1.00 38.80 ? 20 G A "O4'" 1 +ATOM 381 C "C3'" . G A 1 20 ? 29.605 49.445 38.856 1.00 41.49 ? 20 G A "C3'" 1 +ATOM 382 O "O3'" . G A 1 20 ? 30.524 50.535 38.918 1.00 41.37 ? 20 G A "O3'" 1 +ATOM 383 C "C2'" . G A 1 20 ? 28.978 49.390 37.467 1.00 40.44 ? 20 G A "C2'" 1 +ATOM 384 O "O2'" . G A 1 20 ? 28.560 50.637 36.957 1.00 41.89 ? 20 G A "O2'" 1 +ATOM 385 C "C1'" . G A 1 20 ? 30.113 48.773 36.652 1.00 38.62 ? 20 G A "C1'" 1 +ATOM 386 N N9 . G A 1 20 ? 29.647 48.070 35.458 1.00 36.96 ? 20 G A N9 1 +ATOM 387 C C8 . G A 1 20 ? 28.829 46.964 35.411 1.00 37.23 ? 20 G A C8 1 +ATOM 388 N N7 . G A 1 20 ? 28.582 46.580 34.178 1.00 37.19 ? 20 G A N7 1 +ATOM 389 C C5 . G A 1 20 ? 29.241 47.498 33.373 1.00 35.57 ? 20 G A C5 1 +ATOM 390 C C6 . G A 1 20 ? 29.309 47.600 31.956 1.00 35.65 ? 20 G A C6 1 +ATOM 391 O O6 . G A 1 20 ? 28.796 46.862 31.113 1.00 35.86 ? 20 G A O6 1 +ATOM 392 N N1 . G A 1 20 ? 30.090 48.679 31.558 1.00 34.65 ? 20 G A N1 1 +ATOM 393 C C2 . G A 1 20 ? 30.695 49.558 32.409 1.00 35.57 ? 20 G A C2 1 +ATOM 394 N N2 . G A 1 20 ? 31.392 50.540 31.823 1.00 36.88 ? 20 G A N2 1 +ATOM 395 N N3 . G A 1 20 ? 30.655 49.468 33.738 1.00 35.03 ? 20 G A N3 1 +ATOM 396 C C4 . G A 1 20 ? 29.908 48.421 34.142 1.00 35.94 ? 20 G A C4 1 +ATOM 397 P P . U A 1 21 ? 30.782 51.326 40.284 1.00 43.27 ? 21 U A P 1 +ATOM 398 O OP1 . U A 1 21 ? 30.530 50.427 41.445 1.00 44.29 ? 21 U A OP1 1 +ATOM 399 O OP2 . U A 1 21 ? 30.045 52.618 40.251 1.00 45.13 ? 21 U A OP2 1 +ATOM 400 O "O5'" . U A 1 21 ? 32.326 51.666 40.219 1.00 42.26 ? 21 U A "O5'" 1 +ATOM 401 C "C5'" . U A 1 21 ? 33.313 50.692 40.527 1.00 41.70 ? 21 U A "C5'" 1 +ATOM 402 C "C4'" . U A 1 21 ? 34.662 51.118 40.008 1.00 41.67 ? 21 U A "C4'" 1 +ATOM 403 O "O4'" . U A 1 21 ? 34.656 51.020 38.553 1.00 40.77 ? 21 U A "O4'" 1 +ATOM 404 C "C3'" . U A 1 21 ? 35.071 52.559 40.324 1.00 43.08 ? 21 U A "C3'" 1 +ATOM 405 O "O3'" . U A 1 21 ? 36.494 52.636 40.334 1.00 42.17 ? 21 U A "O3'" 1 +ATOM 406 C "C2'" . U A 1 21 ? 34.616 53.295 39.071 1.00 43.47 ? 21 U A "C2'" 1 +ATOM 407 O "O2'" . U A 1 21 ? 35.269 54.533 38.862 1.00 45.40 ? 21 U A "O2'" 1 +ATOM 408 C "C1'" . U A 1 21 ? 34.996 52.280 38.008 1.00 41.64 ? 21 U A "C1'" 1 +ATOM 409 N N1 . U A 1 21 ? 34.293 52.439 36.733 1.00 41.88 ? 21 U A N1 1 +ATOM 410 C C2 . U A 1 21 ? 35.056 52.906 35.688 1.00 42.85 ? 21 U A C2 1 +ATOM 411 O O2 . U A 1 21 ? 36.238 53.182 35.827 1.00 43.78 ? 21 U A O2 1 +ATOM 412 N N3 . U A 1 21 ? 34.375 53.030 34.505 1.00 43.17 ? 21 U A N3 1 +ATOM 413 C C4 . U A 1 21 ? 33.053 52.732 34.296 1.00 43.56 ? 21 U A C4 1 +ATOM 414 O O4 . U A 1 21 ? 32.569 52.897 33.176 1.00 44.59 ? 21 U A O4 1 +ATOM 415 C C5 . U A 1 21 ? 32.335 52.246 35.438 1.00 43.24 ? 21 U A C5 1 +ATOM 416 C C6 . U A 1 21 ? 32.968 52.116 36.606 1.00 42.62 ? 21 U A C6 1 +ATOM 417 P P . U A 1 22 ? 37.351 52.683 41.691 1.00 42.96 ? 22 U A P 1 +ATOM 418 O OP1 . U A 1 22 ? 36.572 53.287 42.809 1.00 46.47 ? 22 U A OP1 1 +ATOM 419 O OP2 . U A 1 22 ? 38.681 53.203 41.253 1.00 43.61 ? 22 U A OP2 1 +ATOM 420 O "O5'" . U A 1 22 ? 37.587 51.150 42.011 1.00 41.39 ? 22 U A "O5'" 1 +ATOM 421 C "C5'" . U A 1 22 ? 38.191 50.321 41.027 1.00 40.33 ? 22 U A "C5'" 1 +ATOM 422 C "C4'" . U A 1 22 ? 38.730 49.066 41.653 1.00 40.80 ? 22 U A "C4'" 1 +ATOM 423 O "O4'" . U A 1 22 ? 39.956 49.371 42.364 1.00 41.15 ? 22 U A "O4'" 1 +ATOM 424 C "C3'" . U A 1 22 ? 37.798 48.417 42.670 1.00 41.20 ? 22 U A "C3'" 1 +ATOM 425 O "O3'" . U A 1 22 ? 37.887 47.008 42.535 1.00 43.22 ? 22 U A "O3'" 1 +ATOM 426 C "C2'" . U A 1 22 ? 38.398 48.838 44.013 1.00 41.03 ? 22 U A "C2'" 1 +ATOM 427 O "O2'" . U A 1 22 ? 38.104 47.964 45.089 1.00 43.14 ? 22 U A "O2'" 1 +ATOM 428 C "C1'" . U A 1 22 ? 39.888 48.869 43.678 1.00 40.74 ? 22 U A "C1'" 1 +ATOM 429 N N1 . U A 1 22 ? 40.702 49.747 44.532 1.00 41.30 ? 22 U A N1 1 +ATOM 430 C C2 . U A 1 22 ? 41.817 49.209 45.167 1.00 41.84 ? 22 U A C2 1 +ATOM 431 O O2 . U A 1 22 ? 42.136 48.034 45.069 1.00 42.33 ? 22 U A O2 1 +ATOM 432 N N3 . U A 1 22 ? 42.536 50.084 45.951 1.00 41.97 ? 22 U A N3 1 +ATOM 433 C C4 . U A 1 22 ? 42.276 51.427 46.138 1.00 42.26 ? 22 U A C4 1 +ATOM 434 O O4 . U A 1 22 ? 43.006 52.087 46.874 1.00 43.59 ? 22 U A O4 1 +ATOM 435 C C5 . U A 1 22 ? 41.115 51.909 45.442 1.00 41.96 ? 22 U A C5 1 +ATOM 436 C C6 . U A 1 22 ? 40.397 51.080 44.683 1.00 41.19 ? 22 U A C6 1 +ATOM 437 P P . A A 1 23 ? 36.570 46.126 42.749 1.00 45.78 ? 23 A A P 1 +ATOM 438 O OP1 . A A 1 23 ? 35.857 46.678 43.936 1.00 47.91 ? 23 A A OP1 1 +ATOM 439 O OP2 . A A 1 23 ? 36.967 44.692 42.644 1.00 47.11 ? 23 A A OP2 1 +ATOM 440 O "O5'" . A A 1 23 ? 35.706 46.415 41.441 1.00 43.19 ? 23 A A "O5'" 1 +ATOM 441 C "C5'" . A A 1 23 ? 34.321 46.107 41.442 1.00 43.64 ? 23 A A "C5'" 1 +ATOM 442 C "C4'" . A A 1 23 ? 33.766 46.089 40.048 1.00 42.19 ? 23 A A "C4'" 1 +ATOM 443 O "O4'" . A A 1 23 ? 33.914 47.392 39.446 1.00 40.57 ? 23 A A "O4'" 1 +ATOM 444 C "C3'" . A A 1 23 ? 34.441 45.145 39.064 1.00 42.41 ? 23 A A "C3'" 1 +ATOM 445 O "O3'" . A A 1 23 ? 33.945 43.830 39.211 1.00 44.96 ? 23 A A "O3'" 1 +ATOM 446 C "C2'" . A A 1 23 ? 34.089 45.760 37.717 1.00 40.95 ? 23 A A "C2'" 1 +ATOM 447 O "O2'" . A A 1 23 ? 32.789 45.352 37.322 1.00 41.41 ? 23 A A "O2'" 1 +ATOM 448 C "C1'" . A A 1 23 ? 34.049 47.260 38.050 1.00 40.05 ? 23 A A "C1'" 1 +ATOM 449 N N9 . A A 1 23 ? 35.286 47.939 37.642 1.00 40.79 ? 23 A A N9 1 +ATOM 450 C C8 . A A 1 23 ? 36.493 47.981 38.290 1.00 41.18 ? 23 A A C8 1 +ATOM 451 N N7 . A A 1 23 ? 37.403 48.672 37.633 1.00 40.88 ? 23 A A N7 1 +ATOM 452 C C5 . A A 1 23 ? 36.733 49.116 36.493 1.00 40.19 ? 23 A A C5 1 +ATOM 453 C C6 . A A 1 23 ? 37.127 49.906 35.395 1.00 40.72 ? 23 A A C6 1 +ATOM 454 N N6 . A A 1 23 ? 38.362 50.419 35.238 1.00 41.38 ? 23 A A N6 1 +ATOM 455 N N1 . A A 1 23 ? 36.201 50.132 34.441 1.00 40.55 ? 23 A A N1 1 +ATOM 456 C C2 . A A 1 23 ? 34.962 49.631 34.577 1.00 40.57 ? 23 A A C2 1 +ATOM 457 N N3 . A A 1 23 ? 34.482 48.881 35.569 1.00 40.57 ? 23 A A N3 1 +ATOM 458 C C4 . A A 1 23 ? 35.431 48.661 36.490 1.00 40.03 ? 23 A A C4 1 +ATOM 459 P P . A A 1 24 ? 34.712 42.550 38.632 1.00 47.06 ? 24 A A P 1 +ATOM 460 O OP1 . A A 1 24 ? 36.167 42.828 38.560 1.00 46.46 ? 24 A A OP1 1 +ATOM 461 O OP2 . A A 1 24 ? 33.965 42.084 37.438 1.00 45.32 ? 24 A A OP2 1 +ATOM 462 O "O5'" . A A 1 24 ? 34.479 41.495 39.808 1.00 50.28 ? 24 A A "O5'" 1 +ATOM 463 C "C5'" . A A 1 24 ? 34.818 41.833 41.140 1.00 52.24 ? 24 A A "C5'" 1 +ATOM 464 C "C4'" . A A 1 24 ? 34.194 40.888 42.134 1.00 55.10 ? 24 A A "C4'" 1 +ATOM 465 O "O4'" . A A 1 24 ? 32.751 41.025 42.127 1.00 54.11 ? 24 A A "O4'" 1 +ATOM 466 C "C3'" . A A 1 24 ? 34.412 39.410 41.878 1.00 56.98 ? 24 A A "C3'" 1 +ATOM 467 O "O3'" . A A 1 24 ? 35.704 38.971 42.251 1.00 59.89 ? 24 A A "O3'" 1 +ATOM 468 C "C2'" . A A 1 24 ? 33.283 38.780 42.679 1.00 59.75 ? 24 A A "C2'" 1 +ATOM 469 O "O2'" . A A 1 24 ? 33.577 38.814 44.071 1.00 64.22 ? 24 A A "O2'" 1 +ATOM 470 C "C1'" . A A 1 24 ? 32.155 39.775 42.414 1.00 56.46 ? 24 A A "C1'" 1 +ATOM 471 N N9 . A A 1 24 ? 31.321 39.368 41.271 1.00 52.98 ? 24 A A N9 1 +ATOM 472 C C8 . A A 1 24 ? 31.428 39.709 39.940 1.00 48.75 ? 24 A A C8 1 +ATOM 473 N N7 . A A 1 24 ? 30.504 39.148 39.190 1.00 48.48 ? 24 A A N7 1 +ATOM 474 C C5 . A A 1 24 ? 29.758 38.384 40.085 1.00 52.66 ? 24 A A C5 1 +ATOM 475 C C6 . A A 1 24 ? 28.636 37.546 39.936 1.00 54.58 ? 24 A A C6 1 +ATOM 476 N N6 . A A 1 24 ? 28.031 37.311 38.767 1.00 53.18 ? 24 A A N6 1 +ATOM 477 N N1 . A A 1 24 ? 28.151 36.934 41.040 1.00 59.14 ? 24 A A N1 1 +ATOM 478 C C2 . A A 1 24 ? 28.748 37.158 42.218 1.00 61.15 ? 24 A A C2 1 +ATOM 479 N N3 . A A 1 24 ? 29.801 37.927 42.485 1.00 59.32 ? 24 A A N3 1 +ATOM 480 C C4 . A A 1 24 ? 30.260 38.510 41.365 1.00 55.10 ? 24 A A C4 1 +ATOM 481 P P . C A 1 25 ? 36.433 37.809 41.415 1.00 60.12 ? 25 C A P 1 +ATOM 482 O OP1 . C A 1 25 ? 37.795 37.671 41.996 1.00 63.79 ? 25 C A OP1 1 +ATOM 483 O OP2 . C A 1 25 ? 36.274 38.001 39.953 1.00 56.21 ? 25 C A OP2 1 +ATOM 484 O "O5'" . C A 1 25 ? 35.613 36.509 41.813 1.00 62.54 ? 25 C A "O5'" 1 +ATOM 485 C "C5'" . C A 1 25 ? 35.555 36.110 43.174 1.00 66.47 ? 25 C A "C5'" 1 +ATOM 486 C "C4'" . C A 1 25 ? 34.533 35.032 43.396 1.00 68.58 ? 25 C A "C4'" 1 +ATOM 487 O "O4'" . C A 1 25 ? 33.197 35.532 43.120 1.00 66.06 ? 25 C A "O4'" 1 +ATOM 488 C "C3'" . C A 1 25 ? 34.645 33.818 42.497 1.00 67.61 ? 25 C A "C3'" 1 +ATOM 489 O "O3'" . C A 1 25 ? 35.694 32.941 42.863 1.00 71.37 ? 25 C A "O3'" 1 +ATOM 490 C "C2'" . C A 1 25 ? 33.254 33.216 42.608 1.00 69.47 ? 25 C A "C2'" 1 +ATOM 491 O "O2'" . C A 1 25 ? 33.096 32.575 43.866 1.00 75.43 ? 25 C A "O2'" 1 +ATOM 492 C "C1'" . C A 1 25 ? 32.393 34.480 42.622 1.00 66.58 ? 25 C A "C1'" 1 +ATOM 493 N N1 . C A 1 25 ? 31.903 34.823 41.267 1.00 61.37 ? 25 C A N1 1 +ATOM 494 C C2 . C A 1 25 ? 30.723 34.205 40.846 1.00 62.34 ? 25 C A C2 1 +ATOM 495 O O2 . C A 1 25 ? 30.145 33.432 41.631 1.00 67.60 ? 25 C A O2 1 +ATOM 496 N N3 . C A 1 25 ? 30.234 34.478 39.615 1.00 58.55 ? 25 C A N3 1 +ATOM 497 C C4 . C A 1 25 ? 30.887 35.317 38.806 1.00 54.08 ? 25 C A C4 1 +ATOM 498 N N4 . C A 1 25 ? 30.376 35.555 37.592 1.00 51.58 ? 25 C A N4 1 +ATOM 499 C C5 . C A 1 25 ? 32.101 35.951 39.202 1.00 52.91 ? 25 C A C5 1 +ATOM 500 C C6 . C A 1 25 ? 32.570 35.680 40.434 1.00 56.48 ? 25 C A C6 1 +ATOM 501 P P . A A 1 26 ? 36.366 32.010 41.741 1.00 70.46 ? 26 A A P 1 +ATOM 502 O OP1 . A A 1 26 ? 37.447 31.216 42.384 1.00 76.05 ? 26 A A OP1 1 +ATOM 503 O OP2 . A A 1 26 ? 36.657 32.844 40.554 1.00 64.26 ? 26 A A OP2 1 +ATOM 504 O "O5'" . A A 1 26 ? 35.198 30.994 41.376 1.00 71.84 ? 26 A A "O5'" 1 +ATOM 505 C "C5'" . A A 1 26 ? 34.953 30.583 40.048 1.00 68.45 ? 26 A A "C5'" 1 +ATOM 506 C "C4'" . A A 1 26 ? 33.477 30.426 39.801 1.00 68.45 ? 26 A A "C4'" 1 +ATOM 507 O "O4'" . A A 1 26 ? 32.892 31.723 39.542 1.00 64.30 ? 26 A A "O4'" 1 +ATOM 508 C "C3'" . A A 1 26 ? 33.107 29.577 38.595 1.00 67.46 ? 26 A A "C3'" 1 +ATOM 509 O "O3'" . A A 1 26 ? 33.007 28.213 38.962 1.00 73.34 ? 26 A A "O3'" 1 +ATOM 510 C "C2'" . A A 1 26 ? 31.778 30.163 38.135 1.00 65.01 ? 26 A A "C2'" 1 +ATOM 511 O "O2'" . A A 1 26 ? 30.704 29.600 38.875 1.00 69.87 ? 26 A A "O2'" 1 +ATOM 512 C "C1'" . A A 1 26 ? 31.913 31.629 38.538 1.00 61.89 ? 26 A A "C1'" 1 +ATOM 513 N N9 . A A 1 26 ? 32.303 32.527 37.438 1.00 56.02 ? 26 A A N9 1 +ATOM 514 C C8 . A A 1 26 ? 33.422 33.318 37.438 1.00 53.55 ? 26 A A C8 1 +ATOM 515 N N7 . A A 1 26 ? 33.532 34.065 36.376 1.00 49.36 ? 26 A A N7 1 +ATOM 516 C C5 . A A 1 26 ? 32.399 33.763 35.632 1.00 48.68 ? 26 A A C5 1 +ATOM 517 C C6 . A A 1 26 ? 31.935 34.243 34.395 1.00 45.80 ? 26 A A C6 1 +ATOM 518 N N6 . A A 1 26 ? 32.576 35.159 33.663 1.00 42.65 ? 26 A A N6 1 +ATOM 519 N N1 . A A 1 26 ? 30.766 33.746 33.929 1.00 46.88 ? 26 A A N1 1 +ATOM 520 C C2 . A A 1 26 ? 30.125 32.830 34.670 1.00 50.69 ? 26 A A C2 1 +ATOM 521 N N3 . A A 1 26 ? 30.458 32.306 35.852 1.00 54.15 ? 26 A A N3 1 +ATOM 522 C C4 . A A 1 26 ? 31.621 32.823 36.284 1.00 52.90 ? 26 A A C4 1 +ATOM 523 P P . A A 1 27 ? 33.484 27.045 37.971 1.00 74.45 ? 27 A A P 1 +ATOM 524 O OP1 . A A 1 27 ? 33.214 25.763 38.667 1.00 80.61 ? 27 A A OP1 1 +ATOM 525 O OP2 . A A 1 27 ? 34.849 27.348 37.453 1.00 71.69 ? 27 A A OP2 1 +ATOM 526 O "O5'" . A A 1 27 ? 32.500 27.169 36.725 1.00 71.10 ? 27 A A "O5'" 1 +ATOM 527 C "C5'" . A A 1 27 ? 31.100 26.969 36.856 1.00 73.18 ? 27 A A "C5'" 1 +ATOM 528 C "C4'" . A A 1 27 ? 30.405 27.265 35.552 1.00 69.29 ? 27 A A "C4'" 1 +ATOM 529 O "O4'" . A A 1 27 ? 30.408 28.693 35.307 1.00 64.14 ? 27 A A "O4'" 1 +ATOM 530 C "C3'" . A A 1 27 ? 31.073 26.673 34.323 1.00 67.28 ? 27 A A "C3'" 1 +ATOM 531 O "O3'" . A A 1 27 ? 30.692 25.328 34.124 1.00 72.16 ? 27 A A "O3'" 1 +ATOM 532 C "C2'" . A A 1 27 ? 30.632 27.611 33.203 1.00 62.32 ? 27 A A "C2'" 1 +ATOM 533 O "O2'" . A A 1 27 ? 29.309 27.306 32.786 1.00 64.42 ? 27 A A "O2'" 1 +ATOM 534 C "C1'" . A A 1 27 ? 30.579 28.950 33.929 1.00 59.62 ? 27 A A "C1'" 1 +ATOM 535 N N9 . A A 1 27 ? 31.782 29.785 33.760 1.00 54.83 ? 27 A A N9 1 +ATOM 536 C C8 . A A 1 27 ? 32.874 29.861 34.592 1.00 55.26 ? 27 A A C8 1 +ATOM 537 N N7 . A A 1 27 ? 33.760 30.749 34.206 1.00 51.87 ? 27 A A N7 1 +ATOM 538 C C5 . A A 1 27 ? 33.204 31.303 33.058 1.00 48.59 ? 27 A A C5 1 +ATOM 539 C C6 . A A 1 27 ? 33.643 32.309 32.178 1.00 44.60 ? 27 A A C6 1 +ATOM 540 N N6 . A A 1 27 ? 34.798 32.969 32.313 1.00 43.13 ? 27 A A N6 1 +ATOM 541 N N1 . A A 1 27 ? 32.834 32.627 31.140 1.00 42.81 ? 27 A A N1 1 +ATOM 542 C C2 . A A 1 27 ? 31.672 31.979 30.996 1.00 44.69 ? 27 A A C2 1 +ATOM 543 N N3 . A A 1 27 ? 31.153 31.017 31.753 1.00 48.18 ? 27 A A N3 1 +ATOM 544 C C4 . A A 1 27 ? 31.978 30.725 32.778 1.00 50.13 ? 27 A A C4 1 +ATOM 545 P P . A A 1 28 ? 31.675 24.289 33.393 1.00 73.34 ? 28 A A P 1 +ATOM 546 O OP1 . A A 1 28 ? 31.411 22.955 33.985 1.00 79.32 ? 28 A A OP1 1 +ATOM 547 O OP2 . A A 1 28 ? 33.057 24.840 33.372 1.00 70.46 ? 28 A A OP2 1 +ATOM 548 O "O5'" . A A 1 28 ? 31.149 24.301 31.895 1.00 71.50 ? 28 A A "O5'" 1 +ATOM 549 C "C5'" . A A 1 28 ? 29.764 24.478 31.623 1.00 72.71 ? 28 A A "C5'" 1 +ATOM 550 C "C4'" . A A 1 28 ? 29.519 24.728 30.158 1.00 69.62 ? 28 A A "C4'" 1 +ATOM 551 O "O4'" . A A 1 28 ? 29.707 26.145 29.855 1.00 64.46 ? 28 A A "O4'" 1 +ATOM 552 C "C3'" . A A 1 28 ? 30.446 23.958 29.211 1.00 69.24 ? 28 A A "C3'" 1 +ATOM 553 O "O3'" . A A 1 28 ? 29.697 23.536 28.070 1.00 71.07 ? 28 A A "O3'" 1 +ATOM 554 C "C2'" . A A 1 28 ? 31.456 25.026 28.805 1.00 63.63 ? 28 A A "C2'" 1 +ATOM 555 O "O2'" . A A 1 28 ? 32.129 24.787 27.588 1.00 62.20 ? 28 A A "O2'" 1 +ATOM 556 C "C1'" . A A 1 28 ? 30.562 26.258 28.743 1.00 60.50 ? 28 A A "C1'" 1 +ATOM 557 N N9 . A A 1 28 ? 31.292 27.530 28.745 1.00 54.49 ? 28 A A N9 1 +ATOM 558 C C8 . A A 1 28 ? 32.525 27.789 29.287 1.00 52.02 ? 28 A A C8 1 +ATOM 559 N N7 . A A 1 28 ? 32.948 29.007 29.067 1.00 48.17 ? 28 A A N7 1 +ATOM 560 C C5 . A A 1 28 ? 31.947 29.584 28.299 1.00 47.36 ? 28 A A C5 1 +ATOM 561 C C6 . A A 1 28 ? 31.805 30.866 27.729 1.00 44.30 ? 28 A A C6 1 +ATOM 562 N N6 . A A 1 28 ? 32.715 31.839 27.841 1.00 41.49 ? 28 A A N6 1 +ATOM 563 N N1 . A A 1 28 ? 30.676 31.120 27.022 1.00 44.84 ? 28 A A N1 1 +ATOM 564 C C2 . A A 1 28 ? 29.767 30.140 26.901 1.00 47.62 ? 28 A A C2 1 +ATOM 565 N N3 . A A 1 28 ? 29.793 28.896 27.385 1.00 50.68 ? 28 A A N3 1 +ATOM 566 C C4 . A A 1 28 ? 30.923 28.680 28.084 1.00 50.65 ? 28 A A C4 1 +ATOM 567 P P . A A 1 29 ? 30.237 22.382 27.083 1.00 73.23 ? 29 A A P 1 +ATOM 568 O OP1 . A A 1 29 ? 29.045 21.605 26.654 1.00 77.11 ? 29 A A OP1 1 +ATOM 569 O OP2 . A A 1 29 ? 31.396 21.656 27.668 1.00 74.75 ? 29 A A OP2 1 +ATOM 570 O "O5'" . A A 1 29 ? 30.762 23.221 25.836 1.00 67.55 ? 29 A A "O5'" 1 +ATOM 571 C "C5'" . A A 1 29 ? 30.039 23.196 24.625 1.00 65.65 ? 29 A A "C5'" 1 +ATOM 572 C "C4'" . A A 1 29 ? 29.509 24.547 24.209 1.00 60.99 ? 29 A A "C4'" 1 +ATOM 573 O "O4'" . A A 1 29 ? 29.776 25.596 25.180 1.00 58.30 ? 29 A A "O4'" 1 +ATOM 574 C "C3'" . A A 1 29 ? 30.109 25.095 22.943 1.00 56.76 ? 29 A A "C3'" 1 +ATOM 575 O "O3'" . A A 1 29 ? 29.671 24.406 21.796 1.00 57.70 ? 29 A A "O3'" 1 +ATOM 576 C "C2'" . A A 1 29 ? 29.715 26.564 23.006 1.00 54.58 ? 29 A A "C2'" 1 +ATOM 577 O "O2'" . A A 1 29 ? 28.345 26.728 22.676 1.00 57.10 ? 29 A A "O2'" 1 +ATOM 578 C "C1'" . A A 1 29 ? 29.881 26.841 24.500 1.00 53.98 ? 29 A A "C1'" 1 +ATOM 579 N N9 . A A 1 29 ? 31.176 27.478 24.822 1.00 49.16 ? 29 A A N9 1 +ATOM 580 C C8 . A A 1 29 ? 32.229 26.922 25.507 1.00 48.64 ? 29 A A C8 1 +ATOM 581 N N7 . A A 1 29 ? 33.249 27.729 25.663 1.00 45.92 ? 29 A A N7 1 +ATOM 582 C C5 . A A 1 29 ? 32.841 28.908 25.056 1.00 43.75 ? 29 A A C5 1 +ATOM 583 C C6 . A A 1 29 ? 33.482 30.148 24.893 1.00 40.83 ? 29 A A C6 1 +ATOM 584 N N6 . A A 1 29 ? 34.707 30.414 25.364 1.00 39.81 ? 29 A A N6 1 +ATOM 585 N N1 . A A 1 29 ? 32.811 31.116 24.228 1.00 39.55 ? 29 A A N1 1 +ATOM 586 C C2 . A A 1 29 ? 31.583 30.840 23.770 1.00 41.07 ? 29 A A C2 1 +ATOM 587 N N3 . A A 1 29 ? 30.879 29.710 23.861 1.00 43.97 ? 29 A A N3 1 +ATOM 588 C C4 . A A 1 29 ? 31.570 28.768 24.528 1.00 45.46 ? 29 A A C4 1 +ATOM 589 P P . C A 1 30 ? 30.738 24.107 20.646 1.00 55.31 ? 30 C A P 1 +ATOM 590 O OP1 . C A 1 30 ? 30.088 23.248 19.622 1.00 58.02 ? 30 C A OP1 1 +ATOM 591 O OP2 . C A 1 30 ? 32.004 23.665 21.295 1.00 54.24 ? 30 C A OP2 1 +ATOM 592 O "O5'" . C A 1 30 ? 30.985 25.555 20.028 1.00 52.36 ? 30 C A "O5'" 1 +ATOM 593 C "C5'" . C A 1 30 ? 29.901 26.316 19.518 1.00 53.34 ? 30 C A "C5'" 1 +ATOM 594 C "C4'" . C A 1 30 ? 30.334 27.720 19.208 1.00 51.91 ? 30 C A "C4'" 1 +ATOM 595 O "O4'" . C A 1 30 ? 30.808 28.357 20.418 1.00 48.70 ? 30 C A "O4'" 1 +ATOM 596 C "C3'" . C A 1 30 ? 31.498 27.837 18.239 1.00 53.68 ? 30 C A "C3'" 1 +ATOM 597 O "O3'" . C A 1 30 ? 31.051 27.777 16.898 1.00 62.59 ? 30 C A "O3'" 1 +ATOM 598 C "C2'" . C A 1 30 ? 32.122 29.177 18.609 1.00 47.70 ? 30 C A "C2'" 1 +ATOM 599 O "O2'" . C A 1 30 ? 31.407 30.240 17.992 1.00 47.33 ? 30 C A "O2'" 1 +ATOM 600 C "C1'" . C A 1 30 ? 31.862 29.242 20.118 1.00 45.30 ? 30 C A "C1'" 1 +ATOM 601 N N1 . C A 1 30 ? 33.023 28.883 20.965 1.00 41.78 ? 30 C A N1 1 +ATOM 602 C C2 . C A 1 30 ? 33.986 29.860 21.234 1.00 38.93 ? 30 C A C2 1 +ATOM 603 O O2 . C A 1 30 ? 33.861 30.985 20.700 1.00 37.93 ? 30 C A O2 1 +ATOM 604 N N3 . C A 1 30 ? 35.027 29.544 22.043 1.00 38.24 ? 30 C A N3 1 +ATOM 605 C C4 . C A 1 30 ? 35.118 28.326 22.577 1.00 39.70 ? 30 C A C4 1 +ATOM 606 N N4 . C A 1 30 ? 36.155 28.056 23.384 1.00 39.99 ? 30 C A N4 1 +ATOM 607 C C5 . C A 1 30 ? 34.137 27.317 22.326 1.00 41.87 ? 30 C A C5 1 +ATOM 608 C C6 . C A 1 30 ? 33.111 27.636 21.530 1.00 42.48 ? 30 C A C6 1 +ATOM 609 P P . A A 1 31 ? 31.874 26.967 15.786 1.00 70.82 ? 31 A A P 1 +ATOM 610 O OP1 . A A 1 31 ? 31.056 27.003 14.549 1.00 73.79 ? 31 A A OP1 1 +ATOM 611 O OP2 . A A 1 31 ? 32.342 25.675 16.339 1.00 86.77 ? 31 A A OP2 1 +ATOM 612 O "O5'" . A A 1 31 ? 33.133 27.892 15.530 1.00 60.48 ? 31 A A "O5'" 1 +ATOM 613 C "C5'" . A A 1 31 ? 32.969 29.211 15.030 1.00 53.71 ? 31 A A "C5'" 1 +ATOM 614 C "C4'" . A A 1 31 ? 34.302 29.814 14.702 1.00 46.12 ? 31 A A "C4'" 1 +ATOM 615 O "O4'" . A A 1 31 ? 34.924 30.260 15.941 1.00 41.16 ? 31 A A "O4'" 1 +ATOM 616 C "C3'" . A A 1 31 ? 35.279 28.831 14.047 1.00 44.03 ? 31 A A "C3'" 1 +ATOM 617 O "O3'" . A A 1 31 ? 36.004 29.442 12.986 1.00 44.07 ? 31 A A "O3'" 1 +ATOM 618 C "C2'" . A A 1 31 ? 36.232 28.465 15.178 1.00 40.67 ? 31 A A "C2'" 1 +ATOM 619 O "O2'" . A A 1 31 ? 37.536 28.107 14.759 1.00 40.06 ? 31 A A "O2'" 1 +ATOM 620 C "C1'" . A A 1 31 ? 36.228 29.735 16.030 1.00 39.14 ? 31 A A "C1'" 1 +ATOM 621 N N9 . A A 1 31 ? 36.575 29.445 17.419 1.00 36.39 ? 31 A A N9 1 +ATOM 622 C C8 . A A 1 31 ? 36.047 28.446 18.198 1.00 36.93 ? 31 A A C8 1 +ATOM 623 N N7 . A A 1 31 ? 36.610 28.349 19.377 1.00 36.42 ? 31 A A N7 1 +ATOM 624 C C5 . A A 1 31 ? 37.590 29.331 19.359 1.00 34.93 ? 31 A A C5 1 +ATOM 625 C C6 . A A 1 31 ? 38.541 29.720 20.310 1.00 34.79 ? 31 A A C6 1 +ATOM 626 N N6 . A A 1 31 ? 38.650 29.136 21.499 1.00 35.14 ? 31 A A N6 1 +ATOM 627 N N1 . A A 1 31 ? 39.387 30.731 19.989 1.00 35.05 ? 31 A A N1 1 +ATOM 628 C C2 . A A 1 31 ? 39.262 31.301 18.781 1.00 35.39 ? 31 A A C2 1 +ATOM 629 N N3 . A A 1 31 ? 38.404 31.015 17.802 1.00 35.94 ? 31 A A N3 1 +ATOM 630 C C4 . A A 1 31 ? 37.586 30.008 18.158 1.00 35.27 ? 31 A A C4 1 +ATOM 631 P P . A A 1 32 ? 36.083 28.703 11.569 1.00 47.37 ? 32 A A P 1 +ATOM 632 O OP1 . A A 1 32 ? 34.720 28.557 11.002 1.00 48.36 ? 32 A A OP1 1 +ATOM 633 O OP2 . A A 1 32 ? 36.929 27.489 11.721 1.00 45.58 ? 32 A A OP2 1 +ATOM 634 O "O5'" . A A 1 32 ? 36.899 29.713 10.658 1.00 47.37 ? 32 A A "O5'" 1 +ATOM 635 C "C5'" . A A 1 32 ? 36.227 30.709 9.905 1.00 49.80 ? 32 A A "C5'" 1 +ATOM 636 C "C4'" . A A 1 32 ? 37.011 31.990 9.903 1.00 50.23 ? 32 A A "C4'" 1 +ATOM 637 O "O4'" . A A 1 32 ? 37.132 32.494 11.256 1.00 47.01 ? 32 A A "O4'" 1 +ATOM 638 C "C3'" . A A 1 32 ? 38.450 31.895 9.433 1.00 51.24 ? 32 A A "C3'" 1 +ATOM 639 O "O3'" . A A 1 32 ? 38.574 31.843 8.023 1.00 56.52 ? 32 A A "O3'" 1 +ATOM 640 C "C2'" . A A 1 32 ? 39.066 33.140 10.047 1.00 49.86 ? 32 A A "C2'" 1 +ATOM 641 O "O2'" . A A 1 32 ? 38.695 34.288 9.291 1.00 53.46 ? 32 A A "O2'" 1 +ATOM 642 C "C1'" . A A 1 32 ? 38.350 33.192 11.395 1.00 46.68 ? 32 A A "C1'" 1 +ATOM 643 N N9 . A A 1 32 ? 39.151 32.558 12.453 1.00 43.69 ? 32 A A N9 1 +ATOM 644 C C8 . A A 1 32 ? 38.933 31.367 13.106 1.00 42.72 ? 32 A A C8 1 +ATOM 645 N N7 . A A 1 32 ? 39.870 31.083 13.979 1.00 41.34 ? 32 A A N7 1 +ATOM 646 C C5 . A A 1 32 ? 40.758 32.154 13.898 1.00 42.35 ? 32 A A C5 1 +ATOM 647 C C6 . A A 1 32 ? 41.968 32.446 14.569 1.00 42.34 ? 32 A A C6 1 +ATOM 648 N N6 . A A 1 32 ? 42.516 31.666 15.519 1.00 40.98 ? 32 A A N6 1 +ATOM 649 N N1 . A A 1 32 ? 42.590 33.604 14.235 1.00 44.21 ? 32 A A N1 1 +ATOM 650 C C2 . A A 1 32 ? 42.033 34.398 13.303 1.00 44.91 ? 32 A A C2 1 +ATOM 651 N N3 . A A 1 32 ? 40.914 34.223 12.598 1.00 45.16 ? 32 A A N3 1 +ATOM 652 C C4 . A A 1 32 ? 40.318 33.072 12.958 1.00 43.41 ? 32 A A C4 1 +ATOM 653 P P . G A 1 33 ? 39.621 30.830 7.353 1.00 58.16 ? 33 G A P 1 +ATOM 654 O OP1 . G A 1 33 ? 39.787 31.205 5.926 1.00 63.01 ? 33 G A OP1 1 +ATOM 655 O OP2 . G A 1 33 ? 39.205 29.440 7.715 1.00 57.04 ? 33 G A OP2 1 +ATOM 656 O "O5'" . G A 1 33 ? 40.990 31.095 8.130 1.00 56.57 ? 33 G A "O5'" 1 +ATOM 657 C "C5'" . G A 1 33 ? 41.719 32.303 7.981 1.00 57.73 ? 33 G A "C5'" 1 +ATOM 658 C "C4'" . G A 1 33 ? 42.911 32.326 8.905 1.00 55.71 ? 33 G A "C4'" 1 +ATOM 659 O "O4'" . G A 1 33 ? 42.466 32.233 10.283 1.00 51.80 ? 33 G A "O4'" 1 +ATOM 660 C "C3'" . G A 1 33 ? 43.881 31.165 8.748 1.00 56.51 ? 33 G A "C3'" 1 +ATOM 661 O "O3'" . G A 1 33 ? 44.800 31.367 7.693 1.00 60.38 ? 33 G A "O3'" 1 +ATOM 662 C "C2'" . G A 1 33 ? 44.537 31.089 10.116 1.00 54.35 ? 33 G A "C2'" 1 +ATOM 663 O "O2'" . G A 1 33 ? 45.525 32.098 10.252 1.00 56.94 ? 33 G A "O2'" 1 +ATOM 664 C "C1'" . G A 1 33 ? 43.371 31.455 11.031 1.00 50.40 ? 33 G A "C1'" 1 +ATOM 665 N N9 . G A 1 33 ? 42.647 30.271 11.518 1.00 47.21 ? 33 G A N9 1 +ATOM 666 C C8 . G A 1 33 ? 41.486 29.753 10.997 1.00 47.23 ? 33 G A C8 1 +ATOM 667 N N7 . G A 1 33 ? 41.059 28.707 11.656 1.00 45.66 ? 33 G A N7 1 +ATOM 668 C C5 . G A 1 33 ? 41.995 28.530 12.662 1.00 44.11 ? 33 G A C5 1 +ATOM 669 C C6 . G A 1 33 ? 42.062 27.549 13.679 1.00 41.85 ? 33 G A C6 1 +ATOM 670 O O6 . G A 1 33 ? 41.284 26.619 13.894 1.00 41.15 ? 33 G A O6 1 +ATOM 671 N N1 . G A 1 33 ? 43.176 27.727 14.484 1.00 41.92 ? 33 G A N1 1 +ATOM 672 C C2 . G A 1 33 ? 44.113 28.717 14.331 1.00 43.87 ? 33 G A C2 1 +ATOM 673 N N2 . G A 1 33 ? 45.115 28.709 15.226 1.00 44.87 ? 33 G A N2 1 +ATOM 674 N N3 . G A 1 33 ? 44.063 29.649 13.390 1.00 44.84 ? 33 G A N3 1 +ATOM 675 C C4 . G A 1 33 ? 42.982 29.491 12.598 1.00 45.01 ? 33 G A C4 1 +HETATM 676 N N1 . HNG B 2 . ? 36.113 35.064 23.612 1.00 33.98 ? 101 HNG A N1 1 +HETATM 677 C C2 . HNG B 2 . ? 35.392 34.011 24.028 1.00 34.24 ? 101 HNG A C2 1 +HETATM 678 N N3 . HNG B 2 . ? 35.609 33.399 25.220 1.00 34.49 ? 101 HNG A N3 1 +HETATM 679 C C4 . HNG B 2 . ? 36.596 33.823 26.043 1.00 34.17 ? 101 HNG A C4 1 +HETATM 680 C C5 . HNG B 2 . ? 37.414 34.962 25.633 1.00 33.96 ? 101 HNG A C5 1 +HETATM 681 C C6 . HNG B 2 . ? 37.117 35.577 24.324 1.00 33.56 ? 101 HNG A C6 1 +HETATM 682 O O6 . HNG B 2 . ? 37.775 36.546 23.906 1.00 34.08 ? 101 HNG A O6 1 +HETATM 683 C C7 . HNG B 2 . ? 38.382 35.178 26.728 1.00 33.72 ? 101 HNG A C7 1 +HETATM 684 C C10 . HNG B 2 . ? 39.471 36.221 26.831 1.00 34.40 ? 101 HNG A C10 1 +HETATM 685 N N11 . HNG B 2 . ? 39.122 37.446 26.122 1.00 35.40 ? 101 HNG A N11 1 +HETATM 686 C C8 . HNG B 2 . ? 38.071 34.212 27.673 1.00 33.21 ? 101 HNG A C8 1 +HETATM 687 N N9 . HNG B 2 . ? 37.031 33.433 27.256 1.00 33.94 ? 101 HNG A N9 1 +HETATM 688 N N2 . HNG B 2 . ? 34.391 33.546 23.248 1.00 35.07 ? 101 HNG A N2 1 +HETATM 689 C C . ACT C 3 . ? 42.595 38.761 27.032 1.00 61.31 ? 102 ACT A C 1 +HETATM 690 O O . ACT C 3 . ? 43.104 37.695 26.621 1.00 61.42 ? 102 ACT A O 1 +HETATM 691 O OXT . ACT C 3 . ? 41.391 38.948 26.737 1.00 61.05 ? 102 ACT A OXT 1 +HETATM 692 C CH3 . ACT C 3 . ? 43.386 39.756 27.832 1.00 61.48 ? 102 ACT A CH3 1 +HETATM 693 C C . ACT D 3 . ? 38.261 22.068 16.883 1.00 63.38 ? 103 ACT A C 1 +HETATM 694 O O . ACT D 3 . ? 39.271 22.546 16.322 1.00 63.18 ? 103 ACT A O 1 +HETATM 695 O OXT . ACT D 3 . ? 37.777 22.756 17.812 1.00 63.51 ? 103 ACT A OXT 1 +HETATM 696 C CH3 . ACT D 3 . ? 37.663 20.752 16.481 1.00 63.35 ? 103 ACT A CH3 1 +HETATM 697 MG MG . MG E 4 . ? 34.121 25.735 17.585 1.00 58.68 ? 104 MG A MG 1 +HETATM 698 O O . HOH F 5 . ? 29.131 29.961 31.112 1.00 65.65 ? 201 HOH A O 1 +HETATM 699 O O . HOH F 5 . ? 35.084 54.992 43.559 1.00 65.08 ? 202 HOH A O 1 +HETATM 700 O O . HOH F 5 . ? 28.136 33.356 39.110 1.00 72.76 ? 203 HOH A O 1 +HETATM 701 O O . HOH F 5 . ? 24.892 44.047 36.766 1.00 62.93 ? 204 HOH A O 1 +HETATM 702 O O . HOH F 5 . ? 34.191 25.586 31.306 1.00 56.61 ? 205 HOH A O 1 +HETATM 703 O O . HOH F 5 . ? 47.996 27.276 17.707 1.00 53.94 ? 206 HOH A O 1 +HETATM 704 O O . HOH F 5 . ? 39.950 36.032 10.609 1.00 48.46 ? 207 HOH A O 1 +HETATM 705 O O . HOH F 5 . ? 28.588 34.765 17.849 1.00 70.96 ? 208 HOH A O 1 +HETATM 706 O O . HOH F 5 . ? 40.106 38.642 14.660 1.00 66.12 ? 209 HOH A O 1 +HETATM 707 O O . HOH F 5 . ? 41.093 46.448 36.554 1.00 54.83 ? 210 HOH A O 1 +HETATM 708 O O . HOH F 5 . ? 44.916 34.456 17.153 1.00 60.39 ? 211 HOH A O 1 +HETATM 709 O O . HOH F 5 . ? 36.740 29.065 37.355 1.00 59.51 ? 212 HOH A O 1 +HETATM 710 O O . HOH F 5 . ? 26.313 35.151 41.021 1.00 72.83 ? 213 HOH A O 1 +HETATM 711 O O . HOH F 5 . ? 39.079 27.369 10.286 1.00 50.43 ? 214 HOH A O 1 +HETATM 712 O O . HOH F 5 . ? 34.169 43.263 27.557 1.00 58.07 ? 215 HOH A O 1 +HETATM 713 O O . HOH F 5 . ? 42.054 23.595 31.343 1.00 65.20 ? 216 HOH A O 1 +HETATM 714 O O . HOH F 5 . ? 39.071 25.677 12.877 1.00 45.78 ? 217 HOH A O 1 +HETATM 715 O O . HOH F 5 . ? 46.514 31.280 24.393 1.00 62.97 ? 218 HOH A O 1 +HETATM 716 O O . HOH F 5 . ? 31.639 48.291 42.555 1.00 47.00 ? 219 HOH A O 1 +HETATM 717 O O . HOH F 5 . ? 33.499 39.530 36.883 1.00 51.95 ? 220 HOH A O 1 +HETATM 718 O O . HOH F 5 . ? 35.237 25.966 25.495 1.00 50.58 ? 221 HOH A O 1 +HETATM 719 O O . HOH F 5 . ? 40.032 48.693 38.130 1.00 56.38 ? 222 HOH A O 1 +HETATM 720 O O . HOH F 5 . ? 36.785 44.448 36.350 1.00 44.90 ? 223 HOH A O 1 +HETATM 721 O O . HOH F 5 . ? 45.224 33.912 14.755 1.00 55.02 ? 224 HOH A O 1 +HETATM 722 O O . HOH F 5 . ? 34.713 26.529 34.853 1.00 63.41 ? 225 HOH A O 1 +HETATM 723 O O . HOH F 5 . ? 25.856 50.692 36.943 1.00 45.49 ? 226 HOH A O 1 +HETATM 724 O O . HOH F 5 . ? 27.068 44.840 30.605 1.00 47.11 ? 227 HOH A O 1 +HETATM 725 O O . HOH F 5 . ? 31.808 40.090 21.535 1.00 52.02 ? 228 HOH A O 1 +HETATM 726 O O . HOH F 5 . ? 35.803 53.750 32.318 1.00 50.33 ? 229 HOH A O 1 +HETATM 727 O O . HOH F 5 . ? 40.288 34.739 30.038 1.00 49.45 ? 230 HOH A O 1 +HETATM 728 O O . HOH F 5 . ? 32.367 32.609 19.125 1.00 55.94 ? 231 HOH A O 1 +HETATM 729 O O . HOH F 5 . ? 31.823 45.117 26.202 1.00 48.04 ? 232 HOH A O 1 +HETATM 730 O O . HOH F 5 . ? 43.780 30.148 5.492 1.00 65.33 ? 233 HOH A O 1 +HETATM 731 O O . HOH F 5 . ? 39.115 23.790 20.376 1.00 50.49 ? 234 HOH A O 1 +HETATM 732 O O . HOH F 5 . ? 27.222 32.643 32.447 1.00 60.57 ? 235 HOH A O 1 +HETATM 733 O O . HOH F 5 . ? 26.577 44.771 33.729 1.00 50.33 ? 236 HOH A O 1 +HETATM 734 O O . HOH F 5 . ? 28.422 30.062 22.693 1.00 54.31 ? 237 HOH A O 1 +HETATM 735 O O . HOH F 5 . ? 27.185 31.703 24.608 1.00 58.60 ? 238 HOH A O 1 +HETATM 736 O O . HOH F 5 . ? 38.172 54.480 38.876 1.00 53.48 ? 239 HOH A O 1 +HETATM 737 O O . HOH F 5 . ? 41.979 20.600 26.033 1.00 62.51 ? 240 HOH A O 1 +HETATM 738 O O . HOH F 5 . ? 37.899 43.224 28.466 1.00 52.25 ? 241 HOH A O 1 +HETATM 739 O O . HOH F 5 . ? 39.682 39.762 28.991 1.00 44.40 ? 242 HOH A O 1 +HETATM 740 O O . HOH F 5 . ? 33.522 48.029 24.696 1.00 56.58 ? 243 HOH A O 1 +HETATM 741 O O . HOH F 5 . ? 44.189 25.596 25.548 1.00 48.02 ? 244 HOH A O 1 +HETATM 742 O O . HOH F 5 . ? 25.236 39.001 39.766 1.00 56.61 ? 245 HOH A O 1 +HETATM 743 O O . HOH F 5 . ? 40.784 21.630 20.138 1.00 62.98 ? 246 HOH A O 1 +HETATM 744 O O . HOH F 5 . ? 37.231 33.287 36.531 1.00 49.97 ? 247 HOH A O 1 +HETATM 745 O O . HOH F 5 . ? 36.018 34.725 38.622 1.00 59.46 ? 248 HOH A O 1 +HETATM 746 O O . HOH F 5 . ? 38.139 44.049 40.210 1.00 53.76 ? 249 HOH A O 1 +HETATM 747 O O . HOH F 5 . ? 36.036 45.398 27.819 1.00 49.72 ? 250 HOH A O 1 +HETATM 748 O O . HOH F 5 . ? 32.555 30.292 11.308 1.00 57.50 ? 251 HOH A O 1 +HETATM 749 O O . HOH F 5 . ? 37.576 40.464 39.034 1.00 61.57 ? 252 HOH A O 1 +HETATM 750 O O . HOH F 5 . ? 41.869 33.290 28.492 1.00 48.85 ? 253 HOH A O 1 +HETATM 751 O O . HOH F 5 . ? 35.383 31.158 36.449 1.00 53.22 ? 254 HOH A O 1 +HETATM 752 O O . HOH F 5 . ? 40.510 39.792 38.064 1.00 53.99 ? 255 HOH A O 1 +HETATM 753 O O . HOH F 5 . ? 30.510 43.344 41.471 1.00 44.37 ? 256 HOH A O 1 +HETATM 754 O O . HOH F 5 . ? 39.545 45.598 28.942 1.00 65.57 ? 257 HOH A O 1 +HETATM 755 O O . HOH F 5 . ? 37.247 40.943 27.104 1.00 46.11 ? 258 HOH A O 1 +HETATM 756 O O . HOH F 5 . ? 27.236 52.337 40.087 1.00 63.94 ? 259 HOH A O 1 +HETATM 757 O O . HOH F 5 . ? 42.485 54.881 46.873 1.00 42.57 ? 260 HOH A O 1 +HETATM 758 O O . HOH F 5 . ? 34.871 36.279 35.168 1.00 44.41 ? 261 HOH A O 1 +HETATM 759 O O . HOH F 5 . ? 27.048 41.919 32.105 1.00 54.43 ? 262 HOH A O 1 +HETATM 760 O O . HOH F 5 . ? 28.382 30.774 37.087 1.00 59.59 ? 263 HOH A O 1 +HETATM 761 O O . HOH F 5 . ? 36.634 25.882 20.841 1.00 45.29 ? 264 HOH A O 1 +HETATM 762 O O . HOH F 5 . ? 36.965 47.674 26.683 1.00 60.13 ? 265 HOH A O 1 +HETATM 763 O O . HOH F 5 . ? 34.208 32.811 17.099 1.00 38.38 ? 266 HOH A O 1 +HETATM 764 O O . HOH F 5 . ? 31.667 40.541 25.284 1.00 46.39 ? 267 HOH A O 1 +HETATM 765 O O . HOH F 5 . ? 35.784 38.827 35.847 1.00 55.89 ? 268 HOH A O 1 +HETATM 766 O O . HOH F 5 . ? 39.545 39.272 23.115 1.00 45.20 ? 269 HOH A O 1 +HETATM 767 O O . HOH F 5 . ? 25.584 47.718 36.422 1.00 52.65 ? 270 HOH A O 1 +HETATM 768 O O . HOH F 5 . ? 29.464 38.939 24.238 1.00 46.19 ? 271 HOH A O 1 +HETATM 769 O O . HOH F 5 . ? 35.113 43.442 44.544 1.00 57.83 ? 272 HOH A O 1 +HETATM 770 O O . HOH F 5 . ? 42.737 34.803 26.217 1.00 57.44 ? 273 HOH A O 1 +HETATM 771 O O . HOH F 5 . ? 34.432 24.287 19.737 1.00 55.73 ? 274 HOH A O 1 +HETATM 772 O O . HOH F 5 . ? 41.759 36.943 30.491 1.00 48.06 ? 275 HOH A O 1 +HETATM 773 O O . HOH F 5 . ? 28.261 45.042 26.448 1.00 49.41 ? 276 HOH A O 1 +HETATM 774 O O . HOH F 5 . ? 36.547 25.274 16.828 1.00 43.09 ? 277 HOH A O 1 +HETATM 775 O O . HOH F 5 . ? 28.999 45.157 42.688 1.00 59.83 ? 278 HOH A O 1 +HETATM 776 O O . HOH F 5 . ? 26.993 27.812 27.315 1.00 64.58 ? 279 HOH A O 1 +HETATM 777 O O . HOH F 5 . ? 27.731 39.035 27.944 1.00 50.18 ? 280 HOH A O 1 +HETATM 778 O O . HOH F 5 . ? 41.055 41.591 30.461 1.00 61.55 ? 281 HOH A O 1 +HETATM 779 O O . HOH F 5 . ? 27.674 34.447 36.758 1.00 55.96 ? 282 HOH A O 1 +HETATM 780 O O . HOH F 5 . ? 25.428 35.851 38.077 1.00 61.73 ? 283 HOH A O 1 +HETATM 781 O O . HOH F 5 . ? 34.192 32.681 12.204 1.00 49.00 ? 284 HOH A O 1 +HETATM 782 O O . HOH F 5 . ? 34.075 40.512 23.201 1.00 46.19 ? 285 HOH A O 1 +HETATM 783 O O . HOH F 5 . ? 33.696 24.060 23.902 1.00 61.95 ? 286 HOH A O 1 +HETATM 784 O O . HOH F 5 . ? 47.096 31.281 16.464 1.00 58.85 ? 287 HOH A O 1 +HETATM 785 O O . HOH F 5 . ? 36.349 25.234 13.969 1.00 44.76 ? 288 HOH A O 1 +HETATM 786 O O . HOH F 5 . ? 37.350 40.091 24.672 1.00 50.39 ? 289 HOH A O 1 +HETATM 787 O O . HOH F 5 . ? 39.429 45.046 44.823 1.00 49.96 ? 290 HOH A O 1 +HETATM 788 O O . HOH F 5 . ? 28.730 41.213 42.066 1.00 57.26 ? 291 HOH A O 1 +HETATM 789 O O . HOH F 5 . ? 32.460 44.100 43.716 1.00 62.78 ? 292 HOH A O 1 +HETATM 790 O O . HOH F 5 . ? 39.902 46.077 39.704 1.00 56.14 ? 293 HOH A O 1 +HETATM 791 O O . HOH F 5 . ? 47.193 25.274 25.637 1.00 60.03 ? 294 HOH A O 1 +HETATM 792 O O . HOH F 5 . ? 24.515 43.307 31.860 1.00 62.47 ? 295 HOH A O 1 +HETATM 793 O O . HOH F 5 . ? 26.191 33.203 35.171 1.00 70.96 ? 296 HOH A O 1 +# +loop_ +_atom_site_anisotrop.id +_atom_site_anisotrop.type_symbol +_atom_site_anisotrop.pdbx_label_atom_id +_atom_site_anisotrop.pdbx_label_alt_id +_atom_site_anisotrop.pdbx_label_comp_id +_atom_site_anisotrop.pdbx_label_asym_id +_atom_site_anisotrop.pdbx_label_seq_id +_atom_site_anisotrop.pdbx_PDB_ins_code +_atom_site_anisotrop.U[1][1] +_atom_site_anisotrop.U[2][2] +_atom_site_anisotrop.U[3][3] +_atom_site_anisotrop.U[1][2] +_atom_site_anisotrop.U[1][3] +_atom_site_anisotrop.U[2][3] +_atom_site_anisotrop.pdbx_auth_seq_id +_atom_site_anisotrop.pdbx_auth_comp_id +_atom_site_anisotrop.pdbx_auth_asym_id +_atom_site_anisotrop.pdbx_auth_atom_id +1 O "O5'" . C A 1 ? 0.5919 0.6327 0.4884 0.0800 0.0396 0.0281 1 C A "O5'" +2 C "C5'" . C A 1 ? 0.5419 0.6182 0.4793 0.0728 0.0539 0.0336 1 C A "C5'" +3 C "C4'" . C A 1 ? 0.5086 0.6067 0.4708 0.0717 0.0427 0.0321 1 C A "C4'" +4 O "O4'" . C A 1 ? 0.4877 0.6000 0.4521 0.0830 0.0271 0.0245 1 C A "O4'" +5 C "C3'" . C A 1 ? 0.4848 0.6148 0.4869 0.0679 0.0491 0.0352 1 C A "C3'" +6 O "O3'" . C A 1 ? 0.5064 0.6353 0.5273 0.0562 0.0599 0.0415 1 C A "O3'" +7 C "C2'" . C A 1 ? 0.4679 0.6086 0.4748 0.0760 0.0312 0.0300 1 C A "C2'" +8 O "O2'" . C A 1 ? 0.5013 0.6234 0.4997 0.0725 0.0186 0.0297 1 C A "O2'" +9 C "C1'" . C A 1 ? 0.4594 0.5971 0.4478 0.0859 0.0251 0.0244 1 C A "C1'" +10 N N1 . C A 1 ? 0.4259 0.5868 0.4302 0.0899 0.0315 0.0235 1 C A N1 +11 C C2 . C A 1 ? 0.4078 0.5843 0.4223 0.0967 0.0317 0.0233 1 C A C2 +12 O O2 . C A 1 ? 0.4177 0.5871 0.4262 0.1012 0.0228 0.0226 1 C A O2 +13 N N3 . C A 1 ? 0.3918 0.5830 0.4167 0.0981 0.0411 0.0243 1 C A N3 +14 C C4 . C A 1 ? 0.3823 0.5751 0.4127 0.0917 0.0455 0.0243 1 C A C4 +15 N N4 . C A 1 ? 0.3694 0.5730 0.4114 0.0898 0.0540 0.0261 1 C A N4 +16 C C5 . C A 1 ? 0.4023 0.5772 0.4198 0.0874 0.0406 0.0227 1 C A C5 +17 C C6 . C A 1 ? 0.4231 0.5814 0.4251 0.0873 0.0360 0.0229 1 C A C6 +18 P P . U A 2 ? 0.4952 0.6540 0.5581 0.0539 0.0748 0.0451 2 U A P +19 O OP1 . U A 2 ? 0.5166 0.6764 0.6071 0.0396 0.0884 0.0520 2 U A OP1 +20 O OP2 . U A 2 ? 0.5003 0.6600 0.5494 0.0623 0.0867 0.0448 2 U A OP2 +21 O "O5'" . U A 2 ? 0.4667 0.6476 0.5537 0.0605 0.0541 0.0396 2 U A "O5'" +22 C "C5'" . U A 2 ? 0.4623 0.6388 0.5601 0.0567 0.0341 0.0374 2 U A "C5'" +23 C "C4'" . U A 2 ? 0.4432 0.6253 0.5405 0.0703 0.0144 0.0312 2 U A "C4'" +24 O "O4'" . U A 2 ? 0.4395 0.6125 0.4997 0.0824 0.0145 0.0285 2 U A "O4'" +25 C "C3'" . U A 2 ? 0.4305 0.6329 0.5517 0.0775 0.0173 0.0300 2 U A "C3'" +26 O "O3'" . U A 2 ? 0.4481 0.6674 0.6178 0.0717 0.0090 0.0292 2 U A "O3'" +27 C "C2'" . U A 2 ? 0.4312 0.6199 0.5200 0.0940 0.0038 0.0254 2 U A "C2'" +28 O "O2'" . U A 2 ? 0.4566 0.6286 0.5410 0.0990 -0.0227 0.0206 2 U A "O2'" +29 C "C1'" . U A 2 ? 0.4272 0.6062 0.4842 0.0946 0.0128 0.0266 2 U A "C1'" +30 N N1 . U A 2 ? 0.4018 0.5888 0.4520 0.0953 0.0311 0.0289 2 U A N1 +31 C C2 . U A 2 ? 0.3945 0.5787 0.4298 0.1055 0.0339 0.0286 2 U A C2 +32 O O2 . U A 2 ? 0.4028 0.5746 0.4236 0.1167 0.0234 0.0265 2 U A O2 +33 N N3 . U A 2 ? 0.3891 0.5777 0.4216 0.1021 0.0486 0.0311 2 U A N3 +34 C C4 . U A 2 ? 0.3899 0.5815 0.4280 0.0930 0.0562 0.0322 2 U A C4 +35 O O4 . U A 2 ? 0.3945 0.5843 0.4281 0.0905 0.0636 0.0334 2 U A O4 +36 C C5 . U A 2 ? 0.3902 0.5791 0.4339 0.0869 0.0542 0.0324 2 U A C5 +37 C C6 . U A 2 ? 0.3969 0.5854 0.4489 0.0865 0.0440 0.0315 2 U A C6 +38 P P . G A 3 ? 0.4481 0.6956 0.6562 0.0766 0.0212 0.0294 3 G A P +39 O OP1 . G A 3 ? 0.4487 0.7207 0.7227 0.0665 0.0127 0.0285 3 G A OP1 +40 O OP2 . G A 3 ? 0.4475 0.6950 0.6360 0.0767 0.0510 0.0348 3 G A OP2 +41 O "O5'" . G A 3 ? 0.4558 0.6926 0.6404 0.0969 0.0023 0.0226 3 G A "O5'" +42 C "C5'" . G A 3 ? 0.4706 0.6903 0.6484 0.1055 -0.0301 0.0157 3 G A "C5'" +43 C "C4'" . G A 3 ? 0.4884 0.6841 0.6222 0.1266 -0.0384 0.0119 3 G A "C4'" +44 O "O4'" . G A 3 ? 0.4850 0.6605 0.5658 0.1289 -0.0221 0.0163 3 G A "O4'" +45 C "C3'" . G A 3 ? 0.4879 0.6947 0.6299 0.1353 -0.0266 0.0119 3 G A "C3'" +46 O "O3'" . G A 3 ? 0.5159 0.7417 0.7075 0.1423 -0.0458 0.0049 3 G A "O3'" +47 C "C2'" . G A 3 ? 0.5008 0.6697 0.5772 0.1501 -0.0253 0.0124 3 G A "C2'" +48 O "O2'" . G A 3 ? 0.5369 0.6737 0.5873 0.1679 -0.0553 0.0053 3 G A "O2'" +49 C "C1'" . G A 3 ? 0.4867 0.6498 0.5382 0.1399 -0.0112 0.0178 3 G A "C1'" +50 N N9 . G A 3 ? 0.4478 0.6240 0.4990 0.1286 0.0164 0.0241 3 G A N9 +51 C C8 . G A 3 ? 0.4178 0.6147 0.4948 0.1142 0.0292 0.0271 3 G A C8 +52 N N7 . G A 3 ? 0.4126 0.6074 0.4750 0.1096 0.0467 0.0308 3 G A N7 +53 C C5 . G A 3 ? 0.4265 0.6035 0.4597 0.1179 0.0479 0.0314 3 G A C5 +54 C C6 . G A 3 ? 0.4282 0.5947 0.4416 0.1140 0.0618 0.0351 3 G A C6 +55 O O6 . G A 3 ? 0.4351 0.6050 0.4521 0.1044 0.0707 0.0368 3 G A O6 +56 N N1 . G A 3 ? 0.4393 0.5827 0.4232 0.1224 0.0632 0.0368 3 G A N1 +57 C C2 . G A 3 ? 0.4687 0.5941 0.4333 0.1373 0.0505 0.0341 3 G A C2 +58 N N2 . G A 3 ? 0.5145 0.6064 0.4373 0.1459 0.0573 0.0376 3 G A N2 +59 N N3 . G A 3 ? 0.4724 0.6054 0.4540 0.1432 0.0310 0.0285 3 G A N3 +60 C C4 . G A 3 ? 0.4491 0.6115 0.4697 0.1308 0.0319 0.0279 3 G A C4 +61 P P . G A 4 ? 0.5231 0.7691 0.7375 0.1525 -0.0322 0.0041 4 G A P +62 O OP1 . G A 4 ? 0.5285 0.8048 0.8123 0.1597 -0.0548 -0.0047 4 G A OP1 +63 O OP2 . G A 4 ? 0.5040 0.7608 0.7114 0.1419 0.0051 0.0130 4 G A OP2 +64 O "O5'" . G A 4 ? 0.5554 0.7556 0.7017 0.1739 -0.0436 0.0008 4 G A "O5'" +65 C "C5'" . G A 4 ? 0.5303 0.7192 0.6462 0.1801 -0.0231 0.0045 4 G A "C5'" +66 C "C4'" . G A 4 ? 0.5359 0.6719 0.5776 0.1930 -0.0282 0.0052 4 G A "C4'" +67 O "O4'" . G A 4 ? 0.5133 0.6367 0.5217 0.1786 -0.0103 0.0133 4 G A "O4'" +68 C "C3'" . G A 4 ? 0.5406 0.6582 0.5524 0.2008 -0.0138 0.0076 4 G A "C3'" +69 O "O3'" . G A 4 ? 0.5706 0.6746 0.5812 0.2252 -0.0368 -0.0017 4 G A "O3'" +70 C "C2'" . G A 4 ? 0.5573 0.6336 0.5047 0.1944 0.0019 0.0159 4 G A "C2'" +71 O "O2'" . G A 4 ? 0.6158 0.6432 0.5100 0.2125 -0.0149 0.0131 4 G A "O2'" +72 C "C1'" . G A 4 ? 0.5144 0.6156 0.4828 0.1757 0.0113 0.0201 4 G A "C1'" +73 N N9 . G A 4 ? 0.4609 0.5918 0.4574 0.1573 0.0325 0.0250 4 G A N9 +74 C C8 . G A 4 ? 0.4251 0.5925 0.4685 0.1473 0.0360 0.0244 4 G A C8 +75 N N7 . G A 4 ? 0.4096 0.5824 0.4520 0.1354 0.0546 0.0291 4 G A N7 +76 C C5 . G A 4 ? 0.4313 0.5751 0.4331 0.1351 0.0611 0.0324 4 G A C5 +77 C C6 . G A 4 ? 0.4386 0.5707 0.4237 0.1240 0.0739 0.0366 4 G A C6 +78 O O6 . G A 4 ? 0.4431 0.5835 0.4377 0.1159 0.0806 0.0372 4 G A O6 +79 N N1 . G A 4 ? 0.4605 0.5625 0.4118 0.1231 0.0770 0.0400 4 G A N1 +80 C C2 . G A 4 ? 0.4919 0.5703 0.4164 0.1342 0.0722 0.0403 4 G A C2 +81 N N2 . G A 4 ? 0.5358 0.5796 0.4241 0.1295 0.0819 0.0462 4 G A N2 +82 N N3 . G A 4 ? 0.4890 0.5708 0.4180 0.1489 0.0576 0.0353 4 G A N3 +83 C C4 . G A 4 ? 0.4614 0.5797 0.4348 0.1472 0.0511 0.0311 4 G A C4 +84 P P . G A 5 ? 0.5618 0.6810 0.5924 0.2360 -0.0274 -0.0041 5 G A P +85 O OP1 . G A 5 ? 0.6001 0.7071 0.6352 0.2655 -0.0597 -0.0167 5 G A OP1 +86 O OP2 . G A 5 ? 0.5241 0.6974 0.6168 0.2202 -0.0047 -0.0004 5 G A OP2 +87 O "O5'" . G A 5 ? 0.5993 0.6698 0.5564 0.2311 -0.0066 0.0047 5 G A "O5'" +88 C "C5'" . G A 5 ? 0.6471 0.6554 0.5309 0.2407 -0.0147 0.0063 5 G A "C5'" +89 C "C4'" . G A 5 ? 0.6603 0.6335 0.4942 0.2265 0.0100 0.0168 5 G A "C4'" +90 O "O4'" . G A 5 ? 0.6073 0.6078 0.4630 0.1988 0.0312 0.0251 5 G A "O4'" +91 C "C3'" . G A 5 ? 0.6776 0.6475 0.5096 0.2318 0.0172 0.0158 5 G A "C3'" +92 O "O3'" . G A 5 ? 0.7591 0.6810 0.5442 0.2577 0.0008 0.0101 5 G A "O3'" +93 C "C2'" . G A 5 ? 0.6624 0.6163 0.4710 0.2052 0.0403 0.0268 5 G A "C2'" +94 O "O2'" . G A 5 ? 0.7216 0.6138 0.4647 0.2028 0.0438 0.0332 5 G A "O2'" +95 C "C1'" . G A 5 ? 0.6021 0.5941 0.4469 0.1853 0.0483 0.0307 5 G A "C1'" +96 N N9 . G A 5 ? 0.5306 0.5698 0.4255 0.1738 0.0568 0.0303 5 G A N9 +97 C C8 . G A 5 ? 0.4952 0.5795 0.4426 0.1784 0.0521 0.0253 5 G A C8 +98 N N7 . G A 5 ? 0.4691 0.5775 0.4407 0.1663 0.0658 0.0278 5 G A N7 +99 C C5 . G A 5 ? 0.4829 0.5615 0.4182 0.1541 0.0745 0.0329 5 G A C5 +100 C C6 . G A 5 ? 0.4767 0.5545 0.4102 0.1411 0.0842 0.0356 5 G A C6 +101 O O6 . G A 5 ? 0.4598 0.5588 0.4151 0.1387 0.0912 0.0353 5 G A O6 +102 N N1 . G A 5 ? 0.4995 0.5420 0.3991 0.1300 0.0840 0.0390 5 G A N1 +103 C C2 . G A 5 ? 0.5294 0.5405 0.3992 0.1293 0.0813 0.0419 5 G A C2 +104 N N2 . G A 5 ? 0.5690 0.5497 0.4170 0.1129 0.0829 0.0461 5 G A N2 +105 N N3 . G A 5 ? 0.5324 0.5366 0.3919 0.1431 0.0763 0.0406 5 G A N3 +106 C C4 . G A 5 ? 0.5134 0.5527 0.4072 0.1563 0.0702 0.0350 5 G A C4 +107 P P . U A 6 ? 0.7930 0.7156 0.5832 0.2798 -0.0030 0.0029 6 U A P +108 O OP1 . U A 6 ? 0.8279 0.7468 0.6255 0.3136 -0.0335 -0.0104 6 U A OP1 +109 O OP2 . U A 6 ? 0.7370 0.7122 0.5812 0.2681 0.0168 0.0049 6 U A OP2 +110 O "O5'" . U A 6 ? 0.8381 0.6849 0.5439 0.2764 0.0045 0.0100 6 U A "O5'" +111 C "C5'" . U A 6 ? 0.8877 0.6642 0.5202 0.2853 -0.0062 0.0118 6 U A "C5'" +112 C "C4'" . U A 6 ? 0.9163 0.6294 0.4829 0.2666 0.0100 0.0232 6 U A "C4'" +113 O "O4'" . U A 6 ? 0.8728 0.6093 0.4633 0.2290 0.0336 0.0351 6 U A "O4'" +114 C "C3'" . U A 6 ? 0.9178 0.6154 0.4712 0.2708 0.0118 0.0215 6 U A "C3'" +115 O "O3'" . U A 6 ? 0.9733 0.6250 0.4805 0.3066 -0.0081 0.0121 6 U A "O3'" +116 C "C2'" . U A 6 ? 0.9406 0.5954 0.4567 0.2356 0.0296 0.0354 6 U A "C2'" +117 O "O2'" . U A 6 ? 1.0259 0.5979 0.4618 0.2378 0.0278 0.0413 6 U A "O2'" +118 C "C1'" . U A 6 ? 0.8798 0.5879 0.4486 0.2089 0.0450 0.0421 6 U A "C1'" +119 N N1 . U A 6 ? 0.8037 0.5706 0.4334 0.1923 0.0529 0.0415 6 U A N1 +120 C C2 . U A 6 ? 0.8096 0.5557 0.4296 0.1651 0.0616 0.0488 6 U A C2 +121 O O2 . U A 6 ? 0.8666 0.5551 0.4397 0.1514 0.0651 0.0564 6 U A O2 +122 N N3 . U A 6 ? 0.7592 0.5489 0.4245 0.1540 0.0645 0.0468 6 U A N3 +123 C C4 . U A 6 ? 0.7021 0.5501 0.4163 0.1660 0.0650 0.0404 6 U A C4 +124 O O4 . U A 6 ? 0.6774 0.5473 0.4155 0.1553 0.0688 0.0401 6 U A O4 +125 C C5 . U A 6 ? 0.6935 0.5655 0.4242 0.1900 0.0589 0.0344 6 U A C5 +126 C C6 . U A 6 ? 0.7424 0.5746 0.4323 0.2030 0.0502 0.0341 6 U A C6 +127 P P . C A 7 ? 0.9718 0.6442 0.4993 0.3328 -0.0124 0.0020 7 C A P +128 O OP1 . C A 7 ? 1.0503 0.6525 0.5073 0.3680 -0.0335 -0.0059 7 C A OP1 +129 O OP2 . C A 7 ? 0.8999 0.6653 0.5230 0.3400 -0.0093 -0.0051 7 C A OP2 +130 O "O5'" . C A 7 ? 0.9555 0.6127 0.4683 0.3042 0.0065 0.0115 7 C A "O5'" +131 C "C5'" . C A 7 ? 1.0086 0.5831 0.4445 0.2885 0.0063 0.0196 7 C A "C5'" +132 C "C4'" . C A 7 ? 0.9822 0.5595 0.4279 0.2579 0.0184 0.0265 7 C A "C4'" +133 O "O4'" . C A 7 ? 0.9070 0.5516 0.4212 0.2292 0.0324 0.0319 7 C A "O4'" +134 C "C3'" . C A 7 ? 0.9748 0.5642 0.4267 0.2790 0.0186 0.0189 7 C A "C3'" +135 O "O3'" . C A 7 ? 1.0572 0.5694 0.4328 0.3011 0.0058 0.0150 7 C A "O3'" +136 C "C2'" . C A 7 ? 0.9448 0.5572 0.4267 0.2445 0.0289 0.0254 7 C A "C2'" +137 O "O2'" . C A 7 ? 1.0050 0.5483 0.4356 0.2190 0.0213 0.0320 7 C A "O2'" +138 C "C1'" . C A 7 ? 0.8725 0.5429 0.4134 0.2207 0.0382 0.0309 7 C A "C1'" +139 N N1 . C A 7 ? 0.8043 0.5531 0.4131 0.2330 0.0465 0.0256 7 C A N1 +140 C C2 . C A 7 ? 0.7722 0.5519 0.4113 0.2213 0.0564 0.0265 7 C A C2 +141 O O2 . C A 7 ? 0.7913 0.5348 0.4030 0.2018 0.0532 0.0301 7 C A O2 +142 N N3 . C A 7 ? 0.7288 0.5725 0.4250 0.2306 0.0674 0.0233 7 C A N3 +143 C C4 . C A 7 ? 0.6987 0.5820 0.4328 0.2492 0.0658 0.0184 7 C A C4 +144 N N4 . C A 7 ? 0.6418 0.5872 0.4380 0.2533 0.0775 0.0165 7 C A N4 +145 C C5 . C A 7 ? 0.7290 0.5828 0.4353 0.2642 0.0499 0.0151 7 C A C5 +146 C C6 . C A 7 ? 0.7800 0.5642 0.4190 0.2566 0.0424 0.0192 7 C A C6 +147 P P . G A 8 ? 1.0754 0.5937 0.4439 0.3537 0.0014 0.0016 8 G A P +148 O OP1 . G A 8 ? 1.1727 0.5929 0.4454 0.3715 -0.0144 -0.0009 8 G A OP1 +149 O OP2 . G A 8 ? 1.0407 0.6221 0.4676 0.3779 -0.0011 -0.0063 8 G A OP2 +150 O "O5'" . G A 8 ? 1.0281 0.5910 0.4351 0.3523 0.0195 0.0012 8 G A "O5'" +151 C "C5'" . G A 8 ? 1.0606 0.5724 0.4229 0.3319 0.0180 0.0061 8 G A "C5'" +152 C "C4'" . G A 8 ? 1.0209 0.5808 0.4242 0.3295 0.0361 0.0063 8 G A "C4'" +153 O "O4'" . G A 8 ? 0.9392 0.5747 0.4207 0.3009 0.0469 0.0115 8 G A "O4'" +154 C "C3'" . G A 8 ? 1.0360 0.6328 0.4597 0.3729 0.0547 -0.0011 8 G A "C3'" +155 O "O3'" . G A 8 ? 1.1454 0.6723 0.4918 0.4049 0.0516 -0.0062 8 G A "O3'" +156 C "C2'" . G A 8 ? 0.9706 0.6282 0.4524 0.3549 0.0763 0.0035 8 G A "C2'" +157 O "O2'" . G A 8 ? 1.0100 0.6128 0.4368 0.3469 0.0745 0.0056 8 G A "O2'" +158 C "C1'" . G A 8 ? 0.9110 0.6053 0.4410 0.3139 0.0682 0.0096 8 G A "C1'" +159 N N9 . G A 8 ? 0.8537 0.6248 0.4594 0.3218 0.0762 0.0073 8 G A N9 +160 C C8 . G A 8 ? 0.8575 0.6371 0.4754 0.3337 0.0624 0.0030 8 G A C8 +161 N N7 . G A 8 ? 0.8007 0.6532 0.4947 0.3401 0.0684 -0.0001 8 G A N7 +162 C C5 . G A 8 ? 0.7691 0.6639 0.5030 0.3304 0.0919 0.0038 8 G A C5 +163 C C6 . G A 8 ? 0.7285 0.7002 0.5453 0.3280 0.1091 0.0042 8 G A C6 +164 O O6 . G A 8 ? 0.7048 0.7297 0.5865 0.3336 0.1031 -0.0002 8 G A O6 +165 N N1 . G A 8 ? 0.7107 0.6887 0.5282 0.3177 0.1333 0.0103 8 G A N1 +166 C C2 . G A 8 ? 0.7398 0.6565 0.4863 0.3129 0.1356 0.0137 8 G A C2 +167 N N2 . G A 8 ? 0.7257 0.6477 0.4729 0.3067 0.1574 0.0186 8 G A N2 +168 N N3 . G A 8 ? 0.7857 0.6343 0.4624 0.3137 0.1153 0.0122 8 G A N3 +169 C C4 . G A 8 ? 0.8015 0.6436 0.4763 0.3217 0.0969 0.0081 8 G A C4 +170 P P . C A 9 ? 0.8944 0.5506 0.4544 0.2355 -0.0970 -0.1134 9 C A P +171 O OP1 . C A 9 ? 0.9469 0.5614 0.4502 0.2531 -0.0918 -0.1111 9 C A OP1 +172 O OP2 . C A 9 ? 0.9398 0.5564 0.4711 0.2396 -0.1435 -0.1239 9 C A OP2 +173 O "O5'" . C A 9 ? 0.8190 0.5682 0.5100 0.2476 -0.0753 -0.1212 9 C A "O5'" +174 C "C5'" . C A 9 ? 0.8086 0.5906 0.5724 0.2830 -0.0959 -0.1415 9 C A "C5'" +175 C "C4'" . C A 9 ? 0.7411 0.6119 0.6202 0.2844 -0.0547 -0.1458 9 C A "C4'" +176 O "O4'" . C A 9 ? 0.7387 0.6063 0.5911 0.2911 -0.0132 -0.1387 9 C A "O4'" +177 C "C3'" . C A 9 ? 0.6765 0.5871 0.5991 0.2474 -0.0272 -0.1328 9 C A "C3'" +178 O "O3'" . C A 9 ? 0.6614 0.6015 0.6497 0.2416 -0.0556 -0.1451 9 C A "O3'" +179 C "C2'" . C A 9 ? 0.6561 0.6195 0.6375 0.2457 0.0261 -0.1287 9 C A "C2'" +180 O "O2'" . C A 9 ? 0.6332 0.6668 0.7308 0.2623 0.0288 -0.1506 9 C A "O2'" +181 C "C1'" . C A 9 ? 0.6959 0.6147 0.5994 0.2672 0.0358 -0.1272 9 C A "C1'" +182 N N1 . C A 9 ? 0.6928 0.5653 0.5057 0.2445 0.0570 -0.1036 9 C A N1 +183 C C2 . C A 9 ? 0.6796 0.5757 0.5076 0.2287 0.1039 -0.0903 9 C A C2 +184 O O2 . C A 9 ? 0.6641 0.6183 0.5779 0.2285 0.1321 -0.0974 9 C A O2 +185 N N3 . C A 9 ? 0.6917 0.5434 0.4382 0.2121 0.1153 -0.0706 9 C A N3 +186 C C4 . C A 9 ? 0.7180 0.5158 0.3851 0.2082 0.0870 -0.0662 9 C A C4 +187 N N4 . C A 9 ? 0.7534 0.5165 0.3549 0.1917 0.0958 -0.0497 9 C A N4 +188 C C5 . C A 9 ? 0.7211 0.4933 0.3685 0.2191 0.0474 -0.0788 9 C A C5 +189 C C6 . C A 9 ? 0.7168 0.5220 0.4318 0.2388 0.0315 -0.0963 9 C A C6 +190 P P . A A 10 ? 0.6373 0.5689 0.6136 0.2056 -0.0551 -0.1347 10 A A P +191 O OP1 . A A 10 ? 0.6343 0.5977 0.6872 0.2065 -0.0883 -0.1535 10 A A OP1 +192 O OP2 . A A 10 ? 0.6526 0.5140 0.5127 0.1945 -0.0633 -0.1237 10 A A OP2 +193 O "O5'" . A A 10 ? 0.5982 0.5676 0.6150 0.1831 -0.0017 -0.1174 10 A A "O5'" +194 C "C5'" . A A 10 ? 0.5725 0.6064 0.6916 0.1799 0.0255 -0.1221 10 A A "C5'" +195 C "C4'" . A A 10 ? 0.5601 0.5950 0.6663 0.1586 0.0755 -0.0994 10 A A "C4'" +196 O "O4'" . A A 10 ? 0.5819 0.5777 0.6029 0.1712 0.0899 -0.0889 10 A A "O4'" +197 C "C3'" . A A 10 ? 0.5421 0.5489 0.6188 0.1316 0.0753 -0.0833 10 A A "C3'" +198 O "O3'" . A A 10 ? 0.5327 0.5719 0.6891 0.1111 0.0801 -0.0861 10 A A "O3'" +199 C "C2'" . A A 10 ? 0.5621 0.5393 0.5754 0.1250 0.1082 -0.0601 10 A A "C2'" +200 O "O2'" . A A 10 ? 0.5830 0.5829 0.6378 0.1099 0.1484 -0.0496 10 A A "O2'" +201 C "C1'" . A A 10 ? 0.5888 0.5518 0.5535 0.1504 0.1084 -0.0659 10 A A "C1'" +202 N N9 . A A 10 ? 0.5972 0.5084 0.4714 0.1554 0.0853 -0.0622 10 A A N9 +203 C C8 . A A 10 ? 0.6133 0.4996 0.4535 0.1649 0.0494 -0.0746 10 A A C8 +204 N N7 . A A 10 ? 0.6256 0.4657 0.3830 0.1607 0.0428 -0.0674 10 A A N7 +205 C C5 . A A 10 ? 0.6299 0.4670 0.3697 0.1522 0.0705 -0.0506 10 A A C5 +206 C C6 . A A 10 ? 0.6690 0.4696 0.3392 0.1442 0.0733 -0.0385 10 A A C6 +207 N N6 . A A 10 ? 0.7049 0.4691 0.3137 0.1392 0.0538 -0.0417 10 A A N6 +208 N N1 . A A 10 ? 0.6744 0.4724 0.3366 0.1381 0.0954 -0.0229 10 A A N1 +209 C C2 . A A 10 ? 0.6588 0.4851 0.3727 0.1367 0.1203 -0.0180 10 A A C2 +210 N N3 . A A 10 ? 0.6311 0.4994 0.4207 0.1395 0.1261 -0.0289 10 A A N3 +211 C C4 . A A 10 ? 0.6253 0.4994 0.4276 0.1493 0.0969 -0.0460 10 A A C4 +212 P P . G A 11 ? 0.5296 0.5509 0.6911 0.0970 0.0475 -0.0932 11 G A P +213 O OP1 . G A 11 ? 0.5291 0.5834 0.7780 0.0742 0.0595 -0.0948 11 G A OP1 +214 O OP2 . G A 11 ? 0.5519 0.5550 0.6810 0.1141 0.0043 -0.1119 11 G A OP2 +215 O "O5'" . G A 11 ? 0.5236 0.4988 0.6119 0.0877 0.0578 -0.0743 11 G A "O5'" +216 C "C5'" . G A 11 ? 0.5361 0.5018 0.6248 0.0722 0.0881 -0.0528 11 G A "C5'" +217 C "C4'" . G A 11 ? 0.5585 0.4922 0.6305 0.0617 0.0763 -0.0487 11 G A "C4'" +218 O "O4'" . G A 11 ? 0.5314 0.4435 0.5418 0.0734 0.0605 -0.0537 11 G A "O4'" +219 C "C3'" . G A 11 ? 0.5945 0.5349 0.7185 0.0513 0.0550 -0.0663 11 G A "C3'" +220 O "O3'" . G A 11 ? 0.6113 0.5223 0.7395 0.0380 0.0581 -0.0568 11 G A "O3'" +221 C "C2'" . G A 11 ? 0.5123 0.4397 0.5945 0.0636 0.0272 -0.0857 11 G A "C2'" +222 O "O2'" . G A 11 ? 0.5209 0.4319 0.6134 0.0563 0.0087 -0.1018 11 G A "O2'" +223 C "C1'" . G A 11 ? 0.5259 0.4319 0.5429 0.0711 0.0375 -0.0734 11 G A "C1'" +224 N N9 . G A 11 ? 0.5314 0.4269 0.4940 0.0805 0.0239 -0.0852 11 G A N9 +225 C C8 . G A 11 ? 0.5443 0.4353 0.4972 0.0844 0.0004 -0.1042 11 G A C8 +226 N N7 . G A 11 ? 0.5650 0.4311 0.4494 0.0884 -0.0061 -0.1083 11 G A N7 +227 C C5 . G A 11 ? 0.5509 0.4141 0.4103 0.0864 0.0139 -0.0935 11 G A C5 +228 C C6 . G A 11 ? 0.5872 0.4293 0.3822 0.0839 0.0175 -0.0914 11 G A C6 +229 O O6 . G A 11 ? 0.6318 0.4462 0.3682 0.0808 0.0079 -0.0999 11 G A O6 +230 N N1 . G A 11 ? 0.5687 0.4168 0.3647 0.0821 0.0322 -0.0769 11 G A N1 +231 C C2 . G A 11 ? 0.5475 0.4087 0.3865 0.0837 0.0415 -0.0634 11 G A C2 +232 N N2 . G A 11 ? 0.5470 0.4008 0.3669 0.0835 0.0469 -0.0502 11 G A N2 +233 N N3 . G A 11 ? 0.5330 0.4067 0.4237 0.0830 0.0429 -0.0628 11 G A N3 +234 C C4 . G A 11 ? 0.5372 0.4166 0.4419 0.0838 0.0294 -0.0793 11 G A C4 +235 P P . U A 12 ? 0.6591 0.5653 0.8301 0.0141 0.0813 -0.0393 12 U A P +236 O OP1 . U A 12 ? 0.6628 0.6191 0.8921 0.0068 0.0965 -0.0456 12 U A OP1 +237 O OP2 . U A 12 ? 0.6957 0.5694 0.8862 0.0018 0.0652 -0.0441 12 U A OP2 +238 O "O5'" . U A 12 ? 0.7182 0.5900 0.8270 0.0162 0.1038 -0.0104 12 U A "O5'" +239 C "C5'" . U A 12 ? 0.7852 0.6210 0.8876 -0.0051 0.1257 0.0140 12 U A "C5'" +240 C "C4'" . U A 12 ? 0.8299 0.6043 0.8764 0.0024 0.1096 0.0295 12 U A "C4'" +241 O "O4'" . U A 12 ? 0.8025 0.5754 0.7918 0.0242 0.1043 0.0333 12 U A "O4'" +242 C "C3'" . U A 12 ? 0.8453 0.6053 0.9143 0.0111 0.0765 0.0107 12 U A "C3'" +243 O "O3'" . U A 12 ? 0.9496 0.6446 0.9898 0.0104 0.0655 0.0283 12 U A "O3'" +244 C "C2'" . U A 12 ? 0.7758 0.5601 0.8203 0.0363 0.0613 -0.0055 12 U A "C2'" +245 O "O2'" . U A 12 ? 0.7822 0.5521 0.8300 0.0503 0.0376 -0.0219 12 U A "O2'" +246 C "C1'" . U A 12 ? 0.7661 0.5342 0.7528 0.0419 0.0737 0.0181 12 U A "C1'" +247 N N1 . U A 12 ? 0.6843 0.4795 0.6422 0.0576 0.0695 0.0082 12 U A N1 +248 C C2 . U A 12 ? 0.6777 0.4490 0.5906 0.0688 0.0580 0.0181 12 U A C2 +249 O O2 . U A 12 ? 0.7169 0.4455 0.6129 0.0698 0.0476 0.0338 12 U A O2 +250 N N3 . U A 12 ? 0.6348 0.4278 0.5215 0.0779 0.0545 0.0086 12 U A N3 +251 C C4 . U A 12 ? 0.6003 0.4258 0.4906 0.0785 0.0605 -0.0074 12 U A C4 +252 O O4 . U A 12 ? 0.5883 0.4183 0.4432 0.0837 0.0560 -0.0125 12 U A O4 +253 C C5 . U A 12 ? 0.5915 0.4370 0.5261 0.0716 0.0675 -0.0167 12 U A C5 +254 C C6 . U A 12 ? 0.6261 0.4612 0.5979 0.0607 0.0720 -0.0099 12 U A C6 +255 P P . N A 13 ? 1.0550 0.6998 1.1169 -0.0163 0.0675 0.0392 13 N A P +256 O OP1 . N A 13 ? 1.1427 0.7059 1.1393 -0.0160 0.0617 0.0700 13 N A OP1 +257 O OP2 . N A 13 ? 1.0534 0.7393 1.1618 -0.0462 0.0978 0.0389 13 N A OP2 +258 O "O5'" . N A 13 ? 1.0400 0.6819 1.1427 -0.0042 0.0355 0.0081 13 N A "O5'" +259 O "O3'" . N A 13 ? 1.3451 0.7853 1.3140 0.0348 -0.0211 0.0631 13 N A "O3'" +260 P P . N A 14 ? 1.3566 0.7666 1.2988 0.0744 -0.0606 0.0624 14 N A P +261 O OP1 . N A 14 ? 1.4898 0.7867 1.3708 0.0719 -0.0835 0.0948 14 N A OP1 +262 O OP2 . N A 14 ? 1.3104 0.7722 1.3178 0.1032 -0.0790 0.0190 14 N A OP2 +263 O "O5'" . N A 14 ? 1.2853 0.7374 1.1892 0.0785 -0.0473 0.0735 14 N A "O5'" +264 C "C5'" . N A 14 ? 1.1405 0.6795 1.0800 0.0908 -0.0399 0.0462 14 N A "C5'" +265 C "C4'" . N A 14 ? 1.0916 0.6416 0.9803 0.0959 -0.0374 0.0608 14 N A "C4'" +266 O "O4'" . N A 14 ? 1.1002 0.6391 0.9434 0.0696 -0.0016 0.0858 14 N A "O4'" +267 C "C3'" . N A 14 ? 0.9774 0.6054 0.8926 0.1065 -0.0332 0.0346 14 N A "C3'" +268 O "O3'" . N A 14 ? 0.9342 0.5789 0.8816 0.1318 -0.0639 0.0129 14 N A "O3'" +269 C "C2'" . N A 14 ? 0.9867 0.6130 0.8392 0.0974 -0.0160 0.0559 14 N A "C2'" +270 O "O2'" . N A 14 ? 1.0344 0.6216 0.8387 0.1112 -0.0445 0.0701 14 N A "O2'" +271 C "C1'" . N A 14 ? 1.0428 0.6282 0.8661 0.0731 0.0122 0.0817 14 N A "C1'" +272 P P . C A 15 ? 0.8385 0.5508 0.8538 0.1400 -0.0589 -0.0303 15 C A P +273 O OP1 . C A 15 ? 0.8536 0.5772 0.9092 0.1667 -0.0891 -0.0505 15 C A OP1 +274 O OP2 . C A 15 ? 0.8241 0.5327 0.8647 0.1282 -0.0439 -0.0409 15 C A OP2 +275 O "O5'" . C A 15 ? 0.7567 0.5222 0.7524 0.1287 -0.0376 -0.0363 15 C A "O5'" +276 C "C5'" . C A 15 ? 0.7410 0.5098 0.7035 0.1323 -0.0482 -0.0257 15 C A "C5'" +277 C "C4'" . C A 15 ? 0.6753 0.4880 0.6223 0.1198 -0.0277 -0.0369 15 C A "C4'" +278 O "O4'" . C A 15 ? 0.6587 0.4608 0.5695 0.1059 -0.0040 -0.0214 15 C A "O4'" +279 C "C3'" . C A 15 ? 0.6284 0.4883 0.6169 0.1160 -0.0148 -0.0716 15 C A "C3'" +280 O "O3'" . C A 15 ? 0.6288 0.5234 0.6581 0.1241 -0.0255 -0.0953 15 C A "O3'" +281 C "C2'" . C A 15 ? 0.6022 0.4725 0.5465 0.0996 0.0060 -0.0692 15 C A "C2'" +282 O "O2'" . C A 15 ? 0.6163 0.4954 0.5300 0.0950 0.0023 -0.0662 15 C A "O2'" +283 C "C1'" . C A 15 ? 0.6090 0.4462 0.5237 0.0974 0.0118 -0.0412 15 C A "C1'" +284 N N1 . C A 15 ? 0.5851 0.4231 0.5247 0.0918 0.0218 -0.0477 15 C A N1 +285 C C2 . C A 15 ? 0.5603 0.4172 0.4905 0.0845 0.0316 -0.0620 15 C A C2 +286 O O2 . C A 15 ? 0.5634 0.4295 0.4594 0.0817 0.0344 -0.0670 15 C A O2 +287 N N3 . C A 15 ? 0.5456 0.4033 0.5001 0.0798 0.0332 -0.0701 15 C A N3 +288 C C4 . C A 15 ? 0.5574 0.3995 0.5465 0.0784 0.0301 -0.0643 15 C A C4 +289 N N4 . C A 15 ? 0.5524 0.3971 0.5689 0.0705 0.0286 -0.0745 15 C A N4 +290 C C5 . C A 15 ? 0.5892 0.4045 0.5821 0.0841 0.0233 -0.0478 15 C A C5 +291 C C6 . C A 15 ? 0.5975 0.4111 0.5641 0.0927 0.0172 -0.0401 15 C A C6 +292 P P . C A 16 ? 0.6236 0.5579 0.7080 0.1253 -0.0108 -0.1358 16 C A P +293 O OP1 . C A 16 ? 0.6305 0.6087 0.7697 0.1345 -0.0213 -0.1591 16 C A OP1 +294 O OP2 . C A 16 ? 0.6289 0.5352 0.7344 0.1352 -0.0135 -0.1397 16 C A OP2 +295 O "O5'" . C A 16 ? 0.6003 0.5480 0.6405 0.1008 0.0185 -0.1442 16 C A "O5'" +296 C "C5'" . C A 16 ? 0.6031 0.5737 0.6188 0.0844 0.0280 -0.1486 16 C A "C5'" +297 C "C4'" . C A 16 ? 0.6070 0.5742 0.5760 0.0630 0.0531 -0.1608 16 C A "C4'" +298 O "O4'" . C A 16 ? 0.6068 0.5369 0.5292 0.0632 0.0496 -0.1395 16 C A "O4'" +299 C "C3'" . C A 16 ? 0.6194 0.5992 0.6094 0.0596 0.0723 -0.1939 16 C A "C3'" +300 O "O3'" . C A 16 ? 0.6203 0.6441 0.6476 0.0506 0.0910 -0.2239 16 C A "O3'" +301 C "C2'" . C A 16 ? 0.6396 0.5850 0.5549 0.0430 0.0821 -0.1903 16 C A "C2'" +302 O "O2'" . C A 16 ? 0.6681 0.6125 0.5322 0.0193 0.0967 -0.1926 16 C A "O2'" +303 C "C1'" . C A 16 ? 0.6152 0.5343 0.5127 0.0536 0.0616 -0.1569 16 C A "C1'" +304 N N1 . C A 16 ? 0.6032 0.5065 0.5252 0.0650 0.0519 -0.1545 16 C A N1 +305 C C2 . C A 16 ? 0.6090 0.4922 0.5014 0.0581 0.0525 -0.1664 16 C A C2 +306 O O2 . C A 16 ? 0.6341 0.5058 0.4715 0.0439 0.0615 -0.1775 16 C A O2 +307 N N3 . C A 16 ? 0.5929 0.4633 0.5127 0.0646 0.0406 -0.1660 16 C A N3 +308 C C4 . C A 16 ? 0.5669 0.4384 0.5345 0.0748 0.0330 -0.1518 16 C A C4 +309 N N4 . C A 16 ? 0.5673 0.4229 0.5602 0.0748 0.0230 -0.1522 16 C A N4 +310 C C5 . C A 16 ? 0.5645 0.4461 0.5501 0.0832 0.0320 -0.1366 16 C A C5 +311 C C6 . C A 16 ? 0.5815 0.4814 0.5463 0.0794 0.0392 -0.1395 16 C A C6 +312 P P . C A 17 ? 0.5693 0.6917 0.6395 0.0403 0.0813 -0.1685 17 C A P +313 O OP1 . C A 17 ? 0.5770 0.6759 0.6440 0.0266 0.0798 -0.1608 17 C A OP1 +314 O OP2 . C A 17 ? 0.5439 0.7110 0.5979 0.0325 0.0795 -0.1560 17 C A OP2 +315 O "O5'" . C A 17 ? 0.5658 0.6508 0.6471 0.0600 0.0769 -0.1515 17 C A "O5'" +316 C "C5'" . C A 17 ? 0.5958 0.6342 0.6984 0.0669 0.0708 -0.1518 17 C A "C5'" +317 C "C4'" . C A 17 ? 0.5985 0.6145 0.7082 0.0799 0.0629 -0.1285 17 C A "C4'" +318 O "O4'" . C A 17 ? 0.5924 0.6281 0.7193 0.0975 0.0629 -0.1453 17 C A "O4'" +319 C "C3'" . C A 17 ? 0.5741 0.6012 0.6565 0.0740 0.0646 -0.0982 17 C A "C3'" +320 O "O3'" . C A 17 ? 0.5867 0.5968 0.6585 0.0588 0.0635 -0.0787 17 C A "O3'" +321 C "C2'" . C A 17 ? 0.5740 0.5951 0.6653 0.0889 0.0578 -0.0864 17 C A "C2'" +322 O "O2'" . C A 17 ? 0.6092 0.5904 0.7173 0.0881 0.0446 -0.0690 17 C A "O2'" +323 C "C1'" . C A 17 ? 0.5729 0.6115 0.6878 0.1035 0.0596 -0.1184 17 C A "C1'" +324 N N1 . C A 17 ? 0.5276 0.6144 0.6264 0.1042 0.0674 -0.1253 17 C A N1 +325 C C2 . C A 17 ? 0.5027 0.6003 0.5994 0.1146 0.0641 -0.1110 17 C A C2 +326 O O2 . C A 17 ? 0.4973 0.5654 0.6028 0.1218 0.0553 -0.0918 17 C A O2 +327 N N3 . C A 17 ? 0.4773 0.6193 0.5622 0.1128 0.0682 -0.1152 17 C A N3 +328 C C4 . C A 17 ? 0.4669 0.6446 0.5416 0.0984 0.0735 -0.1296 17 C A C4 +329 N N4 . C A 17 ? 0.4507 0.6746 0.5142 0.0914 0.0731 -0.1270 17 C A N4 +330 C C5 . C A 17 ? 0.4799 0.6503 0.5552 0.0869 0.0770 -0.1443 17 C A C5 +331 C C6 . C A 17 ? 0.5116 0.6352 0.5996 0.0918 0.0747 -0.1434 17 C A C6 +332 P P . C A 18 ? 0.5708 0.6074 0.6218 0.0483 0.0698 -0.0655 18 C A P +333 O OP1 . C A 18 ? 0.5921 0.6172 0.6389 0.0308 0.0704 -0.0542 18 C A OP1 +334 O OP2 . C A 18 ? 0.5397 0.6074 0.5888 0.0481 0.0731 -0.0784 18 C A OP2 +335 O "O5'" . C A 18 ? 0.5547 0.5975 0.5987 0.0557 0.0670 -0.0487 18 C A "O5'" +336 C "C5'" . C A 18 ? 0.5722 0.5945 0.6152 0.0510 0.0595 -0.0274 18 C A "C5'" +337 C "C4'" . C A 18 ? 0.5539 0.5894 0.5891 0.0576 0.0564 -0.0140 18 C A "C4'" +338 O "O4'" . C A 18 ? 0.5481 0.5829 0.5976 0.0781 0.0530 -0.0247 18 C A "O4'" +339 C "C3'" . C A 18 ? 0.5157 0.5864 0.5367 0.0543 0.0648 -0.0177 18 C A "C3'" +340 O "O3'" . C A 18 ? 0.5198 0.6070 0.5289 0.0349 0.0696 -0.0108 18 C A "O3'" +341 C "C2'" . C A 18 ? 0.5077 0.5853 0.5272 0.0671 0.0597 -0.0105 18 C A "C2'" +342 O "O2'" . C A 18 ? 0.5364 0.6072 0.5480 0.0585 0.0520 0.0131 18 C A "O2'" +343 C "C1'" . C A 18 ? 0.5197 0.5806 0.5579 0.0835 0.0551 -0.0208 18 C A "C1'" +344 N N1 . C A 18 ? 0.4876 0.5722 0.5282 0.0904 0.0603 -0.0398 18 C A N1 +345 C C2 . C A 18 ? 0.4679 0.5751 0.5057 0.0985 0.0583 -0.0374 18 C A C2 +346 O O2 . C A 18 ? 0.4745 0.5795 0.5073 0.1014 0.0540 -0.0223 18 C A O2 +347 N N3 . C A 18 ? 0.4477 0.5815 0.4871 0.0990 0.0591 -0.0487 18 C A N3 +348 C C4 . C A 18 ? 0.4475 0.5881 0.4896 0.0909 0.0620 -0.0620 18 C A C4 +349 N N4 . C A 18 ? 0.4346 0.6090 0.4757 0.0845 0.0595 -0.0671 18 C A N4 +350 C C5 . C A 18 ? 0.4651 0.5818 0.5101 0.0848 0.0656 -0.0677 18 C A C5 +351 C C6 . C A 18 ? 0.4844 0.5724 0.5295 0.0853 0.0645 -0.0562 18 C A C6 +352 P P . A A 19 ? 0.5027 0.6249 0.5167 0.0304 0.0791 -0.0303 19 A A P +353 O OP1 . A A 19 ? 0.5182 0.6616 0.5239 0.0075 0.0860 -0.0282 19 A A OP1 +354 O OP2 . A A 19 ? 0.4892 0.6074 0.5195 0.0388 0.0782 -0.0452 19 A A OP2 +355 O "O5'" . A A 19 ? 0.4828 0.6259 0.4951 0.0393 0.0773 -0.0322 19 A A "O5'" +356 C "C5'" . A A 19 ? 0.4944 0.6530 0.4898 0.0294 0.0775 -0.0202 19 A A "C5'" +357 C "C4'" . A A 19 ? 0.4730 0.6406 0.4685 0.0424 0.0727 -0.0204 19 A A "C4'" +358 O "O4'" . A A 19 ? 0.4674 0.6101 0.4693 0.0607 0.0653 -0.0142 19 A A "O4'" +359 C "C3'" . A A 19 ? 0.4428 0.6347 0.4581 0.0480 0.0738 -0.0438 19 A A "C3'" +360 O "O3'" . A A 19 ? 0.4367 0.6652 0.4520 0.0343 0.0809 -0.0590 19 A A "O3'" +361 C "C2'" . A A 19 ? 0.4310 0.6164 0.4468 0.0633 0.0644 -0.0359 19 A A "C2'" +362 O "O2'" . A A 19 ? 0.4450 0.6419 0.4428 0.0588 0.0636 -0.0248 19 A A "O2'" +363 C "C1'" . A A 19 ? 0.4436 0.6004 0.4545 0.0716 0.0616 -0.0226 19 A A "C1'" +364 N N9 . A A 19 ? 0.4275 0.5797 0.4529 0.0775 0.0593 -0.0318 19 A A N9 +365 C C8 . A A 19 ? 0.4341 0.5732 0.4633 0.0734 0.0627 -0.0370 19 A A C8 +366 N N7 . A A 19 ? 0.4160 0.5612 0.4545 0.0755 0.0585 -0.0429 19 A A N7 +367 C C5 . A A 19 ? 0.3966 0.5589 0.4385 0.0805 0.0505 -0.0388 19 A A C5 +368 C C6 . A A 19 ? 0.3848 0.5663 0.4342 0.0786 0.0405 -0.0367 19 A A C6 +369 N N6 . A A 19 ? 0.3773 0.5685 0.4299 0.0696 0.0378 -0.0398 19 A A N6 +370 N N1 . A A 19 ? 0.3715 0.5668 0.4236 0.0818 0.0316 -0.0290 19 A A N1 +371 C C2 . A A 19 ? 0.3698 0.5600 0.4166 0.0880 0.0344 -0.0271 19 A A C2 +372 N N3 . A A 19 ? 0.3870 0.5648 0.4238 0.0882 0.0441 -0.0289 19 A A N3 +373 C C4 . A A 19 ? 0.4028 0.5667 0.4378 0.0838 0.0513 -0.0334 19 A A C4 +374 P P . G A 20 ? 0.4361 0.6923 0.4904 0.0370 0.0817 -0.0940 20 G A P +375 O OP1 . G A 20 ? 0.4342 0.7380 0.4852 0.0195 0.0932 -0.1151 20 G A OP1 +376 O OP2 . G A 20 ? 0.4277 0.6695 0.5056 0.0403 0.0797 -0.1001 20 G A OP2 +377 O "O5'" . G A 20 ? 0.4103 0.6582 0.4814 0.0536 0.0671 -0.0934 20 G A "O5'" +378 C "C5'" . G A 20 ? 0.4167 0.6758 0.4723 0.0542 0.0648 -0.0884 20 G A "C5'" +379 C "C4'" . G A 20 ? 0.3970 0.6495 0.4782 0.0676 0.0484 -0.0902 20 G A "C4'" +380 O "O4'" . G A 20 ? 0.3893 0.6150 0.4700 0.0759 0.0395 -0.0699 20 G A "O4'" +381 C "C3'" . G A 20 ? 0.3913 0.6594 0.5259 0.0696 0.0392 -0.1217 20 G A "C3'" +382 O "O3'" . G A 20 ? 0.3830 0.6523 0.5365 0.0761 0.0229 -0.1229 20 G A "O3'" +383 C "C2'" . G A 20 ? 0.3780 0.6241 0.5344 0.0734 0.0290 -0.1124 20 G A "C2'" +384 O "O2'" . G A 20 ? 0.3768 0.6238 0.5910 0.0773 0.0075 -0.1256 20 G A "O2'" +385 C "C1'" . G A 20 ? 0.3736 0.5984 0.4954 0.0777 0.0251 -0.0794 20 G A "C1'" +386 N N9 . G A 20 ? 0.3593 0.5689 0.4762 0.0760 0.0251 -0.0676 20 G A N9 +387 C C8 . G A 20 ? 0.3704 0.5723 0.4717 0.0712 0.0393 -0.0693 20 G A C8 +388 N N7 . G A 20 ? 0.3734 0.5646 0.4751 0.0694 0.0350 -0.0607 20 G A N7 +389 C C5 . G A 20 ? 0.3459 0.5431 0.4625 0.0700 0.0167 -0.0507 20 G A C5 +390 C C6 . G A 20 ? 0.3442 0.5458 0.4646 0.0622 0.0043 -0.0377 20 G A C6 +391 O O6 . G A 20 ? 0.3507 0.5502 0.4618 0.0555 0.0089 -0.0368 20 G A O6 +392 N N1 . G A 20 ? 0.3224 0.5366 0.4574 0.0584 -0.0164 -0.0243 20 G A N1 +393 C C2 . G A 20 ? 0.3289 0.5450 0.4775 0.0647 -0.0244 -0.0260 20 G A C2 +394 N N2 . G A 20 ? 0.3364 0.5638 0.5009 0.0570 -0.0483 -0.0083 20 G A N2 +395 N N3 . G A 20 ? 0.3246 0.5368 0.4697 0.0739 -0.0111 -0.0427 20 G A N3 +396 C C4 . G A 20 ? 0.3442 0.5496 0.4718 0.0746 0.0092 -0.0532 20 G A C4 +397 P P . U A 21 ? 0.3926 0.6947 0.5568 0.0719 0.0259 -0.1523 21 U A P +398 O OP1 . U A 21 ? 0.4097 0.7405 0.5326 0.0566 0.0493 -0.1583 21 U A OP1 +399 O OP2 . U A 21 ? 0.3889 0.7019 0.6240 0.0768 0.0112 -0.1897 21 U A OP2 +400 O "O5'" . U A 21 ? 0.3901 0.6803 0.5354 0.0771 0.0130 -0.1273 21 U A "O5'" +401 C "C5'" . U A 21 ? 0.4023 0.6884 0.4938 0.0747 0.0221 -0.0978 21 U A "C5'" +402 C "C4'" . U A 21 ? 0.4074 0.6808 0.4952 0.0826 0.0062 -0.0740 21 U A "C4'" +403 O "O4'" . U A 21 ? 0.3995 0.6520 0.4977 0.0885 -0.0040 -0.0557 21 U A "O4'" +404 C "C3'" . U A 21 ? 0.4101 0.6937 0.5328 0.0834 -0.0114 -0.0905 21 U A "C3'" +405 O "O3'" . U A 21 ? 0.4065 0.6887 0.5069 0.0855 -0.0193 -0.0655 21 U A "O3'" +406 C "C2'" . U A 21 ? 0.4059 0.6716 0.5741 0.0876 -0.0327 -0.0874 21 U A "C2'" +407 O "O2'" . U A 21 ? 0.4197 0.6828 0.6223 0.0879 -0.0593 -0.0844 21 U A "O2'" +408 C "C1'" . U A 21 ? 0.3989 0.6505 0.5329 0.0892 -0.0278 -0.0542 21 U A "C1'" +409 N N1 . U A 21 ? 0.3970 0.6377 0.5565 0.0868 -0.0402 -0.0468 21 U A N1 +410 C C2 . U A 21 ? 0.4075 0.6486 0.5721 0.0820 -0.0603 -0.0208 21 U A C2 +411 O O2 . U A 21 ? 0.4212 0.6704 0.5721 0.0818 -0.0664 -0.0069 21 U A O2 +412 N N3 . U A 21 ? 0.4060 0.6434 0.5908 0.0738 -0.0736 -0.0104 21 U A N3 +413 C C4 . U A 21 ? 0.4078 0.6372 0.6101 0.0733 -0.0686 -0.0243 21 U A C4 +414 O O4 . U A 21 ? 0.4152 0.6443 0.6348 0.0629 -0.0843 -0.0099 21 U A O4 +415 C C5 . U A 21 ? 0.4057 0.6341 0.6033 0.0812 -0.0458 -0.0533 21 U A C5 +416 C C6 . U A 21 ? 0.4026 0.6390 0.5778 0.0858 -0.0326 -0.0630 21 U A C6 +417 P P . U A 22 ? 0.4179 0.7227 0.4916 0.0789 -0.0136 -0.0686 22 U A P +418 O OP1 . U A 22 ? 0.4467 0.7801 0.5389 0.0695 -0.0069 -0.1105 22 U A OP1 +419 O OP2 . U A 22 ? 0.4281 0.7271 0.5017 0.0836 -0.0309 -0.0450 22 U A OP2 +420 O "O5'" . U A 22 ? 0.4145 0.7179 0.4401 0.0758 0.0031 -0.0440 22 U A "O5'" +421 C "C5'" . U A 22 ? 0.4123 0.6944 0.4258 0.0859 0.0013 -0.0145 22 U A "C5'" +422 C "C4'" . U A 22 ? 0.4292 0.7108 0.4101 0.0831 0.0087 0.0078 22 U A "C4'" +423 O "O4'" . U A 22 ? 0.4328 0.7290 0.4017 0.0808 0.0007 0.0209 22 U A "O4'" +424 C "C3'" . U A 22 ? 0.4363 0.7297 0.3993 0.0666 0.0208 0.0012 22 U A "C3'" +425 O "O3'" . U A 22 ? 0.4730 0.7475 0.4217 0.0673 0.0224 0.0266 22 U A "O3'" +426 C "C2'" . U A 22 ? 0.4298 0.7548 0.3744 0.0513 0.0188 0.0008 22 U A "C2'" +427 O "O2'" . U A 22 ? 0.4598 0.8042 0.3750 0.0291 0.0249 0.0130 22 U A "O2'" +428 C "C1'" . U A 22 ? 0.4301 0.7443 0.3734 0.0639 0.0058 0.0262 22 U A "C1'" +429 N N1 . U A 22 ? 0.4309 0.7705 0.3678 0.0559 -0.0013 0.0228 22 U A N1 +430 C C2 . U A 22 ? 0.4422 0.7892 0.3583 0.0509 -0.0090 0.0527 22 U A C2 +431 O O2 . U A 22 ? 0.4558 0.7873 0.3654 0.0541 -0.0121 0.0810 22 U A O2 +432 N N3 . U A 22 ? 0.4375 0.8105 0.3467 0.0415 -0.0157 0.0476 22 U A N3 +433 C C4 . U A 22 ? 0.4303 0.8195 0.3560 0.0382 -0.0164 0.0129 22 U A C4 +434 O O4 . U A 22 ? 0.4417 0.8538 0.3606 0.0289 -0.0235 0.0096 22 U A O4 +435 C C5 . U A 22 ? 0.4206 0.7977 0.3760 0.0458 -0.0111 -0.0173 22 U A C5 +436 C C6 . U A 22 ? 0.4176 0.7721 0.3753 0.0536 -0.0037 -0.0098 22 U A C6 +437 P P . A A 23 ? 0.5090 0.7803 0.4500 0.0540 0.0329 0.0234 23 A A P +438 O OP1 . A A 23 ? 0.5264 0.8383 0.4559 0.0309 0.0415 0.0028 23 A A OP1 +439 O OP2 . A A 23 ? 0.5365 0.7825 0.4711 0.0558 0.0265 0.0545 23 A A OP2 +440 O "O5'" . A A 23 ? 0.4738 0.7269 0.4403 0.0673 0.0372 0.0035 23 A A "O5'" +441 C "C5'" . A A 23 ? 0.4778 0.7330 0.4473 0.0575 0.0474 -0.0109 23 A A "C5'" +442 C "C4'" . A A 23 ? 0.4599 0.6921 0.4510 0.0704 0.0470 -0.0183 23 A A "C4'" +443 O "O4'" . A A 23 ? 0.4290 0.6667 0.4458 0.0789 0.0386 -0.0328 23 A A "O4'" +444 C "C3'" . A A 23 ? 0.4723 0.6770 0.4620 0.0834 0.0427 0.0004 23 A A "C3'" +445 O "O3'" . A A 23 ? 0.5132 0.7009 0.4943 0.0772 0.0465 0.0110 23 A A "O3'" +446 C "C2'" . A A 23 ? 0.4480 0.6489 0.4588 0.0911 0.0398 -0.0119 23 A A "C2'" +447 O "O2'" . A A 23 ? 0.4545 0.6472 0.4717 0.0853 0.0465 -0.0219 23 A A "O2'" +448 C "C1'" . A A 23 ? 0.4248 0.6449 0.4522 0.0886 0.0328 -0.0254 23 A A "C1'" +449 N N9 . A A 23 ? 0.4310 0.6566 0.4624 0.0956 0.0207 -0.0150 23 A A N9 +450 C C8 . A A 23 ? 0.4379 0.6712 0.4555 0.0985 0.0175 -0.0031 23 A A C8 +451 N N7 . A A 23 ? 0.4286 0.6697 0.4549 0.1027 0.0058 0.0047 23 A A N7 +452 C C5 . A A 23 ? 0.4139 0.6533 0.4597 0.0998 -0.0007 0.0001 23 A A C5 +453 C C6 . A A 23 ? 0.4118 0.6625 0.4728 0.0951 -0.0167 0.0095 23 A A C6 +454 N N6 . A A 23 ? 0.4153 0.6829 0.4739 0.0943 -0.0271 0.0233 23 A A N6 +455 N N1 . A A 23 ? 0.4045 0.6531 0.4830 0.0875 -0.0234 0.0074 23 A A N1 +456 C C2 . A A 23 ? 0.4082 0.6426 0.4908 0.0878 -0.0132 -0.0065 23 A A C2 +457 N N3 . A A 23 ? 0.4160 0.6404 0.4852 0.0922 0.0037 -0.0179 23 A A N3 +458 C C4 . A A 23 ? 0.4141 0.6424 0.4643 0.0968 0.0083 -0.0125 23 A A C4 +459 P P . A A 24 ? 0.4526 0.7164 0.6189 0.1050 0.0356 -0.1284 24 A A P +460 O OP1 . A A 24 ? 0.4233 0.7235 0.6187 0.1460 0.0067 -0.1464 24 A A OP1 +461 O OP2 . A A 24 ? 0.4342 0.6751 0.6128 0.0758 0.0490 -0.1066 24 A A OP2 +462 O "O5'" . A A 24 ? 0.5688 0.7461 0.5954 0.1154 0.0459 -0.1209 24 A A "O5'" +463 C "C5'" . A A 24 ? 0.6067 0.7871 0.5912 0.1410 0.0373 -0.1411 24 A A "C5'" +464 C "C4'" . A A 24 ? 0.7251 0.8029 0.5656 0.1376 0.0634 -0.1272 24 A A "C4'" +465 O "O4'" . A A 24 ? 0.7055 0.7772 0.5732 0.0805 0.1085 -0.1240 24 A A "O4'" +466 C "C3'" . A A 24 ? 0.8254 0.7960 0.5435 0.1529 0.0667 -0.0992 24 A A "C3'" +467 O "O3'" . A A 24 ? 0.8956 0.8390 0.5408 0.2156 0.0252 -0.1045 24 A A "O3'" +468 C "C2'" . A A 24 ? 0.9271 0.8032 0.5398 0.1213 0.1175 -0.0868 24 A A "C2'" +469 O "O2'" . A A 24 ? 1.0361 0.8648 0.5392 0.1550 0.1144 -0.0952 24 A A "O2'" +470 C "C1'" . A A 24 ? 0.8149 0.7724 0.5578 0.0656 0.1444 -0.1033 24 A A "C1'" +471 N N9 . A A 24 ? 0.7516 0.7092 0.5524 0.0225 0.1663 -0.0940 24 A A N9 +472 C C8 . A A 24 ? 0.6394 0.6642 0.5488 0.0161 0.1439 -0.0929 24 A A C8 +473 N N7 . A A 24 ? 0.6363 0.6400 0.5657 -0.0207 0.1683 -0.0893 24 A A N7 +474 C C5 . A A 24 ? 0.7486 0.6667 0.5856 -0.0449 0.2156 -0.0896 24 A A C5 +475 C C6 . A A 24 ? 0.7980 0.6588 0.6168 -0.0902 0.2645 -0.0949 24 A A C6 +476 N N6 . A A 24 ? 0.7437 0.6344 0.6424 -0.1155 0.2647 -0.1034 24 A A N6 +477 N N1 . A A 24 ? 0.9232 0.6891 0.6347 -0.1081 0.3164 -0.0951 24 A A N1 +478 C C2 . A A 24 ? 0.9922 0.7218 0.6095 -0.0765 0.3125 -0.0878 24 A A C2 +479 N N3 . A A 24 ? 0.9468 0.7324 0.5746 -0.0286 0.2607 -0.0864 24 A A N3 +480 C C4 . A A 24 ? 0.8215 0.7032 0.5690 -0.0179 0.2164 -0.0888 24 A A C4 +481 P P . C A 25 ? 0.9344 0.8215 0.5285 0.2417 0.0063 -0.0854 25 C A P +482 O OP1 . C A 25 ? 0.9983 0.8828 0.5424 0.3129 -0.0447 -0.1070 25 C A OP1 +483 O OP2 . C A 25 ? 0.8263 0.7719 0.5376 0.2079 0.0114 -0.0787 25 C A OP2 +484 O "O5'" . C A 25 ? 1.0633 0.8086 0.5044 0.2255 0.0475 -0.0532 25 C A "O5'" +485 C "C5'" . C A 25 ? 1.1959 0.8448 0.4847 0.2527 0.0573 -0.0494 25 C A "C5'" +486 C "C4'" . C A 25 ? 1.3071 0.8230 0.4755 0.2170 0.1175 -0.0201 25 C A "C4'" +487 O "O4'" . C A 25 ? 1.2289 0.7889 0.4924 0.1434 0.1688 -0.0258 25 C A "O4'" +488 C "C3'" . C A 25 ? 1.3316 0.7768 0.4603 0.2148 0.1240 0.0042 25 C A "C3'" +489 O "O3'" . C A 25 ? 1.4447 0.8075 0.4595 0.2789 0.0867 0.0152 25 C A "O3'" +490 C "C2'" . C A 25 ? 1.3989 0.7591 0.4815 0.1516 0.2000 0.0183 25 C A "C2'" +491 O "O2'" . C A 25 ? 1.5574 0.7988 0.5098 0.1638 0.2216 0.0320 25 C A "O2'" +492 C "C1'" . C A 25 ? 1.2772 0.7526 0.4999 0.1025 0.2175 -0.0071 25 C A "C1'" +493 N N1 . C A 25 ? 1.1246 0.6986 0.5086 0.0602 0.2159 -0.0162 25 C A N1 +494 C C2 . C A 25 ? 1.1457 0.6791 0.5438 0.0032 0.2703 -0.0168 25 C A C2 +495 O O2 . C A 25 ? 1.2902 0.7064 0.5719 -0.0155 0.3253 -0.0095 25 C A O2 +496 N N3 . C A 25 ? 1.0238 0.6422 0.5587 -0.0286 0.2635 -0.0293 25 C A N3 +497 C C4 . C A 25 ? 0.8967 0.6217 0.5363 -0.0069 0.2113 -0.0337 25 C A C4 +498 N N4 . C A 25 ? 0.8050 0.5973 0.5574 -0.0331 0.2047 -0.0438 25 C A N4 +499 C C5 . C A 25 ? 0.8717 0.6353 0.5033 0.0442 0.1651 -0.0323 25 C A C5 +500 C C6 . C A 25 ? 0.9808 0.6740 0.4911 0.0771 0.1659 -0.0269 25 C A C6 +501 P P . A A 26 ? 1.4370 0.7805 0.4597 0.2974 0.0632 0.0267 26 A A P +502 O OP1 . A A 26 ? 1.5573 0.8312 0.5012 0.3632 0.0219 0.0269 26 A A OP1 +503 O OP2 . A A 26 ? 1.2550 0.7405 0.4462 0.2815 0.0382 0.0082 26 A A OP2 +504 O "O5'" . A A 26 ? 1.4999 0.7474 0.4821 0.2383 0.1298 0.0518 26 A A "O5'" +505 C "C5'" . A A 26 ? 1.4302 0.6979 0.4725 0.2077 0.1418 0.0579 26 A A "C5'" +506 C "C4'" . A A 26 ? 1.4237 0.6739 0.5031 0.1320 0.2099 0.0585 26 A A "C4'" +507 O "O4'" . A A 26 ? 1.2762 0.6606 0.5062 0.0950 0.2085 0.0349 26 A A "O4'" +508 C "C3'" . A A 26 ? 1.4009 0.6381 0.5243 0.1001 0.2279 0.0634 26 A A "C3'" +509 O "O3'" . A A 26 ? 1.5618 0.6578 0.5669 0.1040 0.2586 0.0793 26 A A "O3'" +510 C "C2'" . A A 26 ? 1.3022 0.6156 0.5525 0.0307 0.2664 0.0413 26 A A "C2'" +511 O "O2'" . A A 26 ? 1.4211 0.6346 0.5991 -0.0124 0.3389 0.0396 26 A A "O2'" +512 C "C1'" . A A 26 ? 1.1982 0.6232 0.5301 0.0387 0.2373 0.0253 26 A A "C1'" +513 N N9 . A A 26 ? 1.0312 0.5903 0.5072 0.0437 0.1906 0.0132 26 A A N9 +514 C C8 . A A 26 ? 0.9643 0.5940 0.4762 0.0879 0.1390 0.0097 26 A A C8 +515 N N7 . A A 26 ? 0.8364 0.5670 0.4719 0.0797 0.1155 -0.0002 26 A A N7 +516 C C5 . A A 26 ? 0.8121 0.5437 0.4940 0.0325 0.1451 -0.0042 26 A A C5 +517 C C6 . A A 26 ? 0.7133 0.5211 0.5059 0.0103 0.1352 -0.0149 26 A A C6 +518 N N6 . A A 26 ? 0.6210 0.5089 0.4905 0.0291 0.1001 -0.0172 26 A A N6 +519 N N1 . A A 26 ? 0.7231 0.5164 0.5416 -0.0307 0.1647 -0.0268 26 A A N1 +520 C C2 . A A 26 ? 0.8255 0.5310 0.5694 -0.0548 0.2107 -0.0279 26 A A C2 +521 N N3 . A A 26 ? 0.9392 0.5535 0.5645 -0.0407 0.2325 -0.0126 26 A A N3 +522 C C4 . A A 26 ? 0.9269 0.5605 0.5227 0.0073 0.1925 -0.0003 26 A A C4 +523 P P . A A 27 ? 1.5934 0.6481 0.5874 0.1171 0.2463 0.0879 27 A A P +524 O OP1 . A A 27 ? 1.7511 0.6702 0.6417 0.1173 0.2832 0.0912 27 A A OP1 +525 O OP2 . A A 27 ? 1.5295 0.6479 0.5465 0.1749 0.1761 0.0897 27 A A OP2 +526 O "O5'" . A A 27 ? 1.4901 0.6104 0.6008 0.0536 0.2778 0.0760 27 A A "O5'" +527 C "C5'" . A A 27 ? 1.5185 0.6094 0.6526 -0.0121 0.3469 0.0605 27 A A "C5'" +528 C "C4'" . A A 27 ? 1.3773 0.5823 0.6733 -0.0540 0.3421 0.0321 27 A A "C4'" +529 O "O4'" . A A 27 ? 1.2255 0.5713 0.6404 -0.0522 0.3019 0.0168 27 A A "O4'" +530 C "C3'" . A A 27 ? 1.3353 0.5609 0.6604 -0.0326 0.3046 0.0373 27 A A "C3'" +531 O "O3'" . A A 27 ? 1.4518 0.5714 0.7186 -0.0536 0.3493 0.0387 27 A A "O3'" +532 C "C2'" . A A 27 ? 1.1703 0.5419 0.6557 -0.0540 0.2758 0.0108 27 A A "C2'" +533 O "O2'" . A A 27 ? 1.1707 0.5516 0.7253 -0.1093 0.3187 -0.0214 27 A A "O2'" +534 C "C1'" . A A 27 ? 1.1004 0.5417 0.6234 -0.0500 0.2621 0.0065 27 A A "C1'" +535 N N9 . A A 27 ? 1.0096 0.5203 0.5537 -0.0017 0.2029 0.0186 27 A A N9 +536 C C8 . A A 27 ? 1.0534 0.5303 0.5158 0.0465 0.1784 0.0357 27 A A C8 +537 N N7 . A A 27 ? 0.9594 0.5253 0.4862 0.0769 0.1313 0.0320 27 A A N7 +538 C C5 . A A 27 ? 0.8510 0.5023 0.4930 0.0478 0.1266 0.0188 27 A A C5 +539 C C6 . A A 27 ? 0.7355 0.4853 0.4737 0.0576 0.0934 0.0117 27 A A C6 +540 N N6 . A A 27 ? 0.6982 0.4893 0.4513 0.0944 0.0620 0.0118 27 A A N6 +541 N N1 . A A 27 ? 0.6693 0.4699 0.4874 0.0293 0.0955 0.0003 27 A A N1 +542 C C2 . A A 27 ? 0.7024 0.4729 0.5227 -0.0072 0.1254 -0.0114 27 A A C2 +543 N N3 . A A 27 ? 0.7978 0.4842 0.5487 -0.0266 0.1646 -0.0112 27 A A N3 +544 C C4 . A A 27 ? 0.8759 0.4986 0.5304 0.0029 0.1650 0.0085 27 A A C4 +545 P P . A A 28 ? 1.5003 0.5700 0.7164 -0.0157 0.3203 0.0565 28 A A P +546 O OP1 . A A 28 ? 1.6510 0.5961 0.7667 -0.0211 0.3670 0.0577 28 A A OP1 +547 O OP2 . A A 28 ? 1.4513 0.5704 0.6554 0.0467 0.2514 0.0727 28 A A OP2 +548 O "O5'" . A A 28 ? 1.3971 0.5671 0.7524 -0.0474 0.3093 0.0273 28 A A "O5'" +549 C "C5'" . A A 28 ? 1.3665 0.5799 0.8161 -0.1060 0.3489 -0.0095 28 A A "C5'" +550 C "C4'" . A A 28 ? 1.2487 0.5735 0.8232 -0.1145 0.3137 -0.0368 28 A A "C4'" +551 O "O4'" . A A 28 ? 1.1164 0.5620 0.7708 -0.0981 0.2647 -0.0393 28 A A "O4'" +552 C "C3'" . A A 28 ? 1.2572 0.5663 0.8073 -0.0827 0.2814 -0.0232 28 A A "C3'" +553 O "O3'" . A A 28 ? 1.2378 0.5897 0.8730 -0.1115 0.2863 -0.0591 28 A A "O3'" +554 C "C2'" . A A 28 ? 1.1453 0.5453 0.7269 -0.0400 0.2181 -0.0074 28 A A "C2'" +555 O "O2'" . A A 28 ? 1.1057 0.5431 0.7144 -0.0179 0.1816 -0.0076 28 A A "O2'" +556 C "C1'" . A A 28 ? 1.0400 0.5383 0.7203 -0.0650 0.2138 -0.0307 28 A A "C1'" +557 N N9 . A A 28 ? 0.9286 0.5039 0.6380 -0.0342 0.1702 -0.0171 28 A A N9 +558 C C8 . A A 28 ? 0.9207 0.4816 0.5744 0.0072 0.1461 0.0088 28 A A C8 +559 N N7 . A A 28 ? 0.8246 0.4698 0.5360 0.0234 0.1143 0.0090 28 A A N7 +560 C C5 . A A 28 ? 0.7632 0.4748 0.5615 -0.0045 0.1138 -0.0126 28 A A C5 +561 C C6 . A A 28 ? 0.6691 0.4685 0.5456 -0.0013 0.0886 -0.0205 28 A A C6 +562 N N6 . A A 28 ? 0.6161 0.4552 0.5051 0.0253 0.0660 -0.0078 28 A A N6 +563 N N1 . A A 28 ? 0.6393 0.4816 0.5827 -0.0246 0.0878 -0.0464 28 A A N1 +564 C C2 . A A 28 ? 0.6846 0.4943 0.6306 -0.0533 0.1130 -0.0692 28 A A C2 +565 N N3 . A A 28 ? 0.7715 0.4992 0.6550 -0.0657 0.1461 -0.0653 28 A A N3 +566 C C4 . A A 28 ? 0.8152 0.4912 0.6180 -0.0381 0.1441 -0.0325 28 A A C4 +567 P P . A A 29 ? 1.2838 0.5998 0.8987 -0.0973 0.2758 -0.0585 29 A A P +568 O OP1 . A A 29 ? 1.3181 0.6217 0.9901 -0.1454 0.3194 -0.1029 29 A A OP1 +569 O OP2 . A A 29 ? 1.3778 0.5910 0.8712 -0.0590 0.2737 -0.0187 29 A A OP2 +570 O "O5'" . A A 29 ? 1.1486 0.5821 0.8358 -0.0694 0.2118 -0.0620 29 A A "O5'" +571 C "C5'" . A A 29 ? 1.0725 0.5747 0.8471 -0.0865 0.1991 -0.1003 29 A A "C5'" +572 C "C4'" . A A 29 ? 0.9500 0.5597 0.8078 -0.0864 0.1673 -0.1178 29 A A "C4'" +573 O "O4'" . A A 29 ? 0.9160 0.5402 0.7591 -0.0772 0.1634 -0.0936 29 A A "O4'" +574 C "C3'" . A A 29 ? 0.8666 0.5428 0.7472 -0.0536 0.1155 -0.1135 29 A A "C3'" +575 O "O3'" . A A 29 ? 0.8620 0.5541 0.7760 -0.0591 0.1070 -0.1463 29 A A "O3'" +576 C "C2'" . A A 29 ? 0.7961 0.5484 0.7292 -0.0492 0.0924 -0.1172 29 A A "C2'" +577 O "O2'" . A A 29 ? 0.7855 0.5859 0.7981 -0.0743 0.0939 -0.1654 29 A A "O2'" +578 C "C1'" . A A 29 ? 0.8130 0.5276 0.7104 -0.0576 0.1199 -0.0946 29 A A "C1'" +579 N N9 . A A 29 ? 0.7663 0.4819 0.6196 -0.0222 0.0980 -0.0558 29 A A N9 +580 C C8 . A A 29 ? 0.8067 0.4583 0.5831 -0.0015 0.1042 -0.0279 29 A A C8 +581 N N7 . A A 29 ? 0.7649 0.4456 0.5345 0.0291 0.0793 -0.0087 29 A A N7 +582 C C5 . A A 29 ? 0.6880 0.4475 0.5269 0.0256 0.0610 -0.0186 29 A A C5 +583 C C6 . A A 29 ? 0.6233 0.4371 0.4908 0.0460 0.0393 -0.0089 29 A A C6 +584 N N6 . A A 29 ? 0.6196 0.4295 0.4634 0.0725 0.0312 0.0063 29 A A N6 +585 N N1 . A A 29 ? 0.5698 0.4398 0.4933 0.0400 0.0264 -0.0201 29 A A N1 +586 C C2 . A A 29 ? 0.5746 0.4559 0.5301 0.0187 0.0282 -0.0453 29 A A C2 +587 N N3 . A A 29 ? 0.6252 0.4714 0.5741 -0.0044 0.0480 -0.0642 29 A A N3 +588 C C4 . A A 29 ? 0.6871 0.4675 0.5729 -0.0019 0.0679 -0.0465 29 A A C4 +589 P P . C A 30 ? 0.8422 0.5370 0.7224 -0.0249 0.0748 -0.1307 30 C A P +590 O OP1 . C A 30 ? 0.8616 0.5664 0.7765 -0.0361 0.0726 -0.1723 30 C A OP1 +591 O OP2 . C A 30 ? 0.8751 0.5056 0.6801 -0.0058 0.0839 -0.0907 30 C A OP2 +592 O "O5'" . C A 30 ? 0.7740 0.5407 0.6749 0.0017 0.0344 -0.1204 30 C A "O5'" +593 C "C5'" . C A 30 ? 0.7452 0.5745 0.7071 -0.0025 0.0138 -0.1527 30 C A "C5'" +594 C "C4'" . C A 30 ? 0.7154 0.5843 0.6726 0.0253 -0.0152 -0.1298 30 C A "C4'" +595 O "O4'" . C A 30 ? 0.6812 0.5408 0.6282 0.0218 0.0010 -0.1001 30 C A "O4'" +596 C "C3'" . C A 30 ? 0.7580 0.6170 0.6644 0.0568 -0.0325 -0.1049 30 C A "C3'" +597 O "O3'" . C A 30 ? 0.8640 0.7433 0.7710 0.0725 -0.0598 -0.1297 30 C A "O3'" +598 C "C2'" . C A 30 ? 0.6790 0.5546 0.5789 0.0722 -0.0369 -0.0746 30 C A "C2'" +599 O "O2'" . C A 30 ? 0.6545 0.5678 0.5762 0.0849 -0.0620 -0.0859 30 C A "O2'" +600 C "C1'" . C A 30 ? 0.6434 0.5134 0.5645 0.0497 -0.0141 -0.0697 30 C A "C1'" +601 N N1 . C A 30 ? 0.6248 0.4565 0.5060 0.0554 0.0031 -0.0425 30 C A N1 +602 C C2 . C A 30 ? 0.5847 0.4327 0.4618 0.0742 -0.0015 -0.0205 30 C A C2 +603 O O2 . C A 30 ? 0.5526 0.4366 0.4521 0.0829 -0.0140 -0.0188 30 C A O2 +604 N N3 . C A 30 ? 0.5944 0.4154 0.4431 0.0851 0.0071 -0.0057 30 C A N3 +605 C C4 . C A 30 ? 0.6434 0.4113 0.4537 0.0811 0.0189 -0.0056 30 C A C4 +606 N N4 . C A 30 ? 0.6688 0.4069 0.4438 0.1013 0.0194 0.0063 30 C A N4 +607 C C5 . C A 30 ? 0.6819 0.4207 0.4882 0.0583 0.0312 -0.0219 30 C A C5 +608 C C6 . C A 30 ? 0.6619 0.4400 0.5121 0.0443 0.0233 -0.0433 30 C A C6 +609 P P . A A 31 ? 0.9937 0.8462 0.8510 0.0899 -0.0650 -0.1265 31 A A P +610 O OP1 . A A 31 ? 1.0208 0.8997 0.8830 0.1064 -0.0974 -0.1615 31 A A OP1 +611 O OP2 . A A 31 ? 1.2131 1.0233 1.0603 0.0724 -0.0381 -0.1237 31 A A OP2 +612 O "O5'" . A A 31 ? 0.8814 0.7237 0.6927 0.1140 -0.0642 -0.0871 31 A A "O5'" +613 C "C5'" . A A 31 ? 0.7933 0.6535 0.5938 0.1340 -0.0812 -0.0784 31 A A "C5'" +614 C "C4'" . A A 31 ? 0.7194 0.5568 0.4761 0.1501 -0.0659 -0.0470 31 A A "C4'" +615 O "O4'" . A A 31 ? 0.6453 0.4887 0.4298 0.1389 -0.0455 -0.0274 31 A A "O4'" +616 C "C3'" . A A 31 ? 0.7145 0.5234 0.4348 0.1548 -0.0540 -0.0467 31 A A "C3'" +617 O "O3'" . A A 31 ? 0.7400 0.5273 0.4073 0.1754 -0.0474 -0.0344 31 A A "O3'" +618 C "C2'" . A A 31 ? 0.6674 0.4692 0.4087 0.1434 -0.0317 -0.0334 31 A A "C2'" +619 O "O2'" . A A 31 ? 0.6740 0.4563 0.3919 0.1531 -0.0164 -0.0285 31 A A "O2'" +620 C "C1'" . A A 31 ? 0.6321 0.4548 0.4002 0.1417 -0.0266 -0.0174 31 A A "C1'" +621 N N9 . A A 31 ? 0.5882 0.4120 0.3826 0.1311 -0.0163 -0.0122 31 A A N9 +622 C C8 . A A 31 ? 0.5984 0.4064 0.3984 0.1164 -0.0149 -0.0202 31 A A C8 +623 N N7 . A A 31 ? 0.5953 0.3919 0.3967 0.1169 -0.0058 -0.0107 31 A A N7 +624 C C5 . A A 31 ? 0.5654 0.3838 0.3780 0.1320 -0.0034 -0.0018 31 A A C5 +625 C C6 . A A 31 ? 0.5562 0.3829 0.3825 0.1433 0.0009 0.0020 31 A A C6 +626 N N6 . A A 31 ? 0.5728 0.3771 0.3853 0.1467 -0.0009 0.0031 31 A A N6 +627 N N1 . A A 31 ? 0.5425 0.3961 0.3934 0.1531 0.0088 0.0013 31 A A N1 +628 C C2 . A A 31 ? 0.5480 0.4045 0.3920 0.1518 0.0156 0.0040 31 A A C2 +629 N N3 . A A 31 ? 0.5693 0.4119 0.3844 0.1476 0.0075 0.0048 31 A A N3 +630 C C4 . A A 31 ? 0.5668 0.3979 0.3753 0.1376 -0.0044 -0.0014 31 A A C4 +631 P P . A A 32 ? 0.8083 0.5717 0.4199 0.1905 -0.0557 -0.0497 32 A A P +632 O OP1 . A A 32 ? 0.8167 0.5954 0.4252 0.2008 -0.0923 -0.0763 32 A A OP1 +633 O OP2 . A A 32 ? 0.7854 0.5392 0.4073 0.1795 -0.0395 -0.0560 32 A A OP2 +634 O "O5'" . A A 32 ? 0.8425 0.5695 0.3877 0.2099 -0.0358 -0.0291 32 A A "O5'" +635 C "C5'" . A A 32 ? 0.8985 0.6049 0.3889 0.2342 -0.0525 -0.0233 32 A A "C5'" +636 C "C4'" . A A 32 ? 0.9244 0.5981 0.3862 0.2385 -0.0181 0.0054 32 A A "C4'" +637 O "O4'" . A A 32 ? 0.8453 0.5557 0.3852 0.2185 -0.0080 0.0141 32 A A "O4'" +638 C "C3'" . A A 32 ? 0.9585 0.5977 0.3908 0.2325 0.0295 0.0129 32 A A "C3'" +639 O "O3'" . A A 32 ? 1.0773 0.6604 0.4099 0.2537 0.0363 0.0130 32 A A "O3'" +640 C "C2'" . A A 32 ? 0.9347 0.5675 0.3923 0.2240 0.0647 0.0319 32 A A "C2'" +641 O "O2'" . A A 32 ? 1.0254 0.6023 0.4037 0.2457 0.0706 0.0506 32 A A "O2'" +642 C "C1'" . A A 32 ? 0.8470 0.5382 0.3887 0.2117 0.0369 0.0291 32 A A "C1'" +643 N N9 . A A 32 ? 0.7718 0.5008 0.3874 0.1914 0.0497 0.0199 32 A A N9 +644 C C8 . A A 32 ? 0.7374 0.4946 0.3912 0.1818 0.0291 0.0061 32 A A C8 +645 N N7 . A A 32 ? 0.6983 0.4732 0.3991 0.1735 0.0439 0.0011 32 A A N7 +646 C C5 . A A 32 ? 0.7097 0.4798 0.4197 0.1741 0.0769 0.0059 32 A A C5 +647 C C6 . A A 32 ? 0.6844 0.4752 0.4491 0.1699 0.1022 -0.0060 32 A A C6 +648 N N6 . A A 32 ? 0.6431 0.4607 0.4533 0.1711 0.0902 -0.0220 32 A A N6 +649 N N1 . A A 32 ? 0.7103 0.4893 0.4802 0.1671 0.1405 -0.0047 32 A A N1 +650 C C2 . A A 32 ? 0.7550 0.4902 0.4612 0.1715 0.1522 0.0149 32 A A C2 +651 N N3 . A A 32 ? 0.7893 0.4978 0.4289 0.1832 0.1238 0.0291 32 A A N3 +652 C C4 . A A 32 ? 0.7530 0.4889 0.4076 0.1825 0.0856 0.0202 32 A A C4 +653 P P . G A 33 ? 1.1099 0.6771 0.4228 0.2460 0.0643 -0.0012 33 G A P +654 O OP1 . G A 33 ? 1.2367 0.7295 0.4279 0.2690 0.0830 0.0059 33 G A OP1 +655 O OP2 . G A 33 ? 1.0615 0.6762 0.4297 0.2372 0.0307 -0.0254 33 G A OP2 +656 O "O5'" . G A 33 ? 1.0623 0.6437 0.4432 0.2212 0.1139 0.0006 33 G A "O5'" +657 C "C5'" . G A 33 ? 1.0970 0.6397 0.4568 0.2175 0.1639 0.0150 33 G A "C5'" +658 C "C4'" . G A 33 ? 1.0257 0.6079 0.4830 0.1945 0.1979 0.0002 33 G A "C4'" +659 O "O4'" . G A 33 ? 0.9274 0.5712 0.4695 0.1884 0.1628 -0.0004 33 G A "O4'" +660 C "C3'" . G A 33 ? 1.0187 0.6191 0.5092 0.1862 0.2102 -0.0285 33 G A "C3'" +661 O "O3'" . G A 33 ? 1.1005 0.6516 0.5422 0.1820 0.2653 -0.0378 33 G A "O3'" +662 C "C2'" . G A 33 ? 0.9341 0.5949 0.5362 0.1751 0.2080 -0.0450 33 G A "C2'" +663 O "O2'" . G A 33 ? 0.9549 0.6132 0.5953 0.1637 0.2600 -0.0554 33 G A "O2'" +664 C "C1'" . G A 33 ? 0.8703 0.5560 0.4888 0.1787 0.1661 -0.0240 33 G A "C1'" +665 N N9 . G A 33 ? 0.8167 0.5276 0.4494 0.1818 0.1188 -0.0278 33 G A N9 +666 C C8 . G A 33 ? 0.8367 0.5355 0.4221 0.1886 0.0859 -0.0220 33 G A C8 +667 N N7 . G A 33 ? 0.7986 0.5197 0.4164 0.1845 0.0574 -0.0309 33 G A N7 +668 C C5 . G A 33 ? 0.7529 0.4950 0.4281 0.1803 0.0674 -0.0385 33 G A C5 +669 C C6 . G A 33 ? 0.7088 0.4626 0.4187 0.1799 0.0486 -0.0465 33 G A C6 +670 O O6 . G A 33 ? 0.7060 0.4508 0.4068 0.1765 0.0273 -0.0475 33 G A O6 +671 N N1 . G A 33 ? 0.6883 0.4601 0.4445 0.1856 0.0589 -0.0574 33 G A N1 +672 C C2 . G A 33 ? 0.6986 0.4852 0.4830 0.1857 0.0884 -0.0662 33 G A C2 +673 N N2 . G A 33 ? 0.6832 0.4967 0.5250 0.1948 0.0891 -0.0878 33 G A N2 +674 N N3 . G A 33 ? 0.7257 0.4966 0.4813 0.1793 0.1163 -0.0577 33 G A N3 +675 C C4 . G A 33 ? 0.7574 0.5019 0.4507 0.1794 0.1018 -0.0409 33 G A C4 +#