data_35053 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 35053 _Entry.Title ; Hairpin Inosine GCAA tetraloop ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-05-11 _Entry.Accession_date 2026-05-11 _Entry.Last_release_date 2026-06-25 _Entry.Original_release_date 2026-06-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 C. Mitteregger C. . . . 35053 2 R. Micura R. . . . 35053 3 C. Kreutz C. . . . 35053 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'GCAA tetraloop' . 35053 'Inosine modified Hairpin' . 35053 RNA . 35053 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 35053 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 87 35053 '1H chemical shifts' 116 35053 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-07-21 . original BMRB . 35053 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 30SC 'BMRB Entry Tracking System' 35053 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 35053 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Hairpin Inosine GCAA tetraloop ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 C. Mitteregger C. . . . 35053 1 2 R. Micura R. . . . 35053 1 3 C. Kreutz C. . . . 35053 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 35053 _Assembly.ID 1 _Assembly.Name "RNA (5'-R(*GP*AP*AP*IP*GP*GP*CP*AP*AP*CP*CP*UP*UP*CP*G)-3')" _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 35053 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 35053 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAAIGGCAACCUUCG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 15 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4815.938 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . G . 35053 1 2 . A . 35053 1 3 . A . 35053 1 4 . I . 35053 1 5 . G . 35053 1 6 . G . 35053 1 7 . C . 35053 1 8 . A . 35053 1 9 . A . 35053 1 10 . C . 35053 1 11 . C . 35053 1 12 . U . 35053 1 13 . U . 35053 1 14 . C . 35053 1 15 . G . 35053 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . G 1 1 35053 1 . A 2 2 35053 1 . A 3 3 35053 1 . I 4 4 35053 1 . G 5 5 35053 1 . G 6 6 35053 1 . C 7 7 35053 1 . A 8 8 35053 1 . A 9 9 35053 1 . C 10 10 35053 1 . C 11 11 35053 1 . U 12 12 35053 1 . U 13 13 35053 1 . C 14 14 35053 1 . G 15 15 35053 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 35053 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 32630 'no natural source' . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 35053 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 35053 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 35053 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_I _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_I _Chem_comp.Entry_ID 35053 _Chem_comp.ID I _Chem_comp.Provenance PDB _Chem_comp.Name 'INOSINIC ACID' _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code I _Chem_comp.PDB_code I _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code I _Chem_comp.Three_letter_code I _Chem_comp.Number_atoms_all 36 _Chem_comp.Number_atoms_nh 23 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10+/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C10 H13 N4 O8 P' _Chem_comp.Formula_weight 348.206 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID GRSZFWQUAKGDAV-CRKDRTNXSA-N InChIKey InChI 1.03 35053 I ; InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10+/m1/s1 ; InChI InChI 1.03 35053 I O=P(O)(O)OCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O SMILES ACDLabs 12.01 35053 I O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23 SMILES_CANONICAL CACTVS 3.370 35053 I O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23 SMILES CACTVS 3.370 35053 I c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O SMILES 'OpenEye OEToolkits' 1.7.6 35053 I c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 35053 I stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 9-(5-O-phosphono-alpha-D-xylofuranosyl)-1,9-dihydro-6H-purin-6-one 'SYSTEMATIC NAME' ACDLabs 12.01 35053 I '[(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 35053 I stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID OP3 OP3 OP3 O3P . O . . N 0 . . . 1 N Y . . . . 23.102 . 7.014 . 5.552 . -4.504 1.956 1.124 1 . 35053 I P P P P . P . . N 0 . . . 1 N N . . . . 21.666 . 7.423 . 4.970 . -4.803 0.963 -0.107 2 . 35053 I OP1 OP1 OP1 O1P . O . . N 0 . . . 1 N N . . . . 21.575 . 6.862 . 3.576 . -5.835 -0.020 0.292 3 . 35053 I OP2 OP2 OP2 O2P . O . . N 0 . . . 1 N N . . . . 21.374 . 8.868 . 5.211 . -5.332 1.815 -1.367 4 . 35053 I O5' O5' O5' O5' . O . . N 0 . . . 1 N N . . . . 20.691 . 6.537 . 5.854 . -3.451 0.189 -0.513 5 . 35053 I C5' C5' C5' C5' . C . . N 0 . . . 1 N N . . . . 20.871 . 5.133 . 5.876 . -2.793 -0.735 0.357 6 . 35053 I C4' C4' C4' C4' . C . . R 0 . . . 1 N N . . . . 20.206 . 4.534 . 7.092 . -1.545 -1.287 -0.336 7 . 35053 I O4' O4' O4' O4' . O . . N 0 . . . 1 N N . . . . 20.884 . 4.967 . 8.303 . -0.582 -0.235 -0.519 8 . 35053 I C3' C3' C3' C3' . C . . S 0 . . . 1 N N . . . . 18.772 . 4.939 . 7.362 . -0.887 -2.363 0.549 9 . 35053 I O3' O3' O3' O3' . O . . N 0 . . . 1 N N . . . . 17.863 . 4.287 . 6.486 . -0.845 -3.616 -0.136 10 . 35053 I C2' C2' C2' C2' . C . . R 0 . . . 1 N N . . . . 18.630 . 4.463 . 8.799 . 0.546 -1.829 0.792 11 . 35053 I O2' O2' O2' O2' . O . . N 0 . . . 1 N N . . . . 18.536 . 3.057 . 8.905 . 1.504 -2.887 0.714 12 . 35053 I C1' C1' C1' C1' . C . . R 0 . . . 1 N N . . . . 19.983 . 4.873 . 9.395 . 0.725 -0.833 -0.382 13 . 35053 I N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 19.865 . 6.180 . 10.026 . 1.725 0.184 -0.047 14 . 35053 I C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 20.230 . 7.380 . 9.498 . 1.483 1.386 0.550 15 . 35053 I N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 19.945 . 8.395 . 10.276 . 2.601 2.037 0.697 16 . 35053 I C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 19.364 . 7.811 . 11.402 . 3.620 1.294 0.205 17 . 35053 I C6 C6 C6 C6 . C . . N 0 . . . 1 N N . . . . 18.839 . 8.409 . 12.631 . 5.020 1.484 0.096 18 . 35053 I O6 O6 O6 O6 . O . . N 0 . . . 1 N N . . . . 18.791 . 9.629 . 12.967 . 5.547 2.507 0.501 19 . 35053 I N1 N1 N1 N1 . N . . N 0 . . . 1 N N . . . . 18.343 . 7.438 . 13.485 . 5.756 0.501 -0.468 20 . 35053 I C2 C2 C2 C2 . C . . N 0 . . . 1 N N . . . . 18.339 . 6.090 . 13.227 . 5.159 -0.633 -0.915 21 . 35053 I N3 N3 N3 N3 . N . . N 0 . . . 1 N N . . . . 18.825 . 5.525 . 12.126 . 3.872 -0.823 -0.822 22 . 35053 I C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 19.316 . 6.438 . 11.261 . 3.071 0.099 -0.270 23 . 35053 I HOP3 HOP3 HOP3 HOP3 . H . . N 0 . . . 0 N N . . . . 23.578 . 6.513 . 4.900 . -3.836 2.629 0.934 24 . 35053 I HOP2 HOP2 HOP2 HOP2 . H . . N 0 . . . 0 N N . . . . 21.149 . 9.287 . 4.389 . -6.146 2.309 -1.194 25 . 35053 I H5' H5' H5' H5'1 . H . . N 0 . . . 1 N N . . . . 20.427 . 4.697 . 4.969 . -2.503 -0.225 1.275 26 . 35053 I H5'' H5'' H5'' H5'2 . H . . N 0 . . . 0 N N . . . . 21.947 . 4.906 . 5.903 . -3.469 -1.556 0.595 27 . 35053 I H4' H4' H4' H4' . H . . N 0 . . . 1 N N . . . . 20.254 . 3.438 . 7.017 . -1.816 -1.713 -1.302 28 . 35053 I H3' H3' H3' H3' . H . . N 0 . . . 1 N N . . . . 18.669 . 6.033 . 7.313 . -1.425 -2.462 1.492 29 . 35053 I HO3' HO3' HO3' H3T . H . . N 0 . . . 0 N Y . . . . 16.977 . 4.565 . 6.685 . -0.440 -4.330 0.376 30 . 35053 I H2' H2' H2' H2' . H . . N 0 . . . 1 N N . . . . 17.805 . 4.983 . 9.307 . 0.612 -1.316 1.752 31 . 35053 I HO2' HO2' HO2' HO'2 . H . . N 0 . . . 0 N N . . . . 18.449 . 2.813 . 9.819 . 1.376 -3.582 1.374 32 . 35053 I H1' H1' H1' H1' . H . . N 0 . . . 1 N N . . . . 20.312 . 4.116 . 10.122 . 1.003 -1.361 -1.294 33 . 35053 I H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 20.707 . 7.485 . 8.535 . 0.511 1.744 0.854 34 . 35053 I H1 H1 H1 H1 . H . . N 0 . . . 1 N N . . . . 17.958 . 7.742 . 14.356 . 6.716 0.606 -0.554 35 . 35053 I H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 17.909 . 5.440 . 13.974 . 5.769 -1.403 -1.362 36 . 35053 I stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING OP3 P N N 1 . 35053 I 2 . SING OP3 HOP3 N N 2 . 35053 I 3 . DOUB P OP1 N N 3 . 35053 I 4 . SING P OP2 N N 4 . 35053 I 5 . SING P O5' N N 5 . 35053 I 6 . SING OP2 HOP2 N N 6 . 35053 I 7 . SING O5' C5' N N 7 . 35053 I 8 . SING C5' C4' N N 8 . 35053 I 9 . SING C5' H5' N N 9 . 35053 I 10 . SING C5' H5'' N N 10 . 35053 I 11 . SING C4' O4' N N 11 . 35053 I 12 . SING C4' C3' N N 12 . 35053 I 13 . SING C4' H4' N N 13 . 35053 I 14 . SING O4' C1' N N 14 . 35053 I 15 . SING C3' O3' N N 15 . 35053 I 16 . SING C3' C2' N N 16 . 35053 I 17 . SING C3' H3' N N 17 . 35053 I 18 . SING O3' HO3' N N 18 . 35053 I 19 . SING C2' O2' N N 19 . 35053 I 20 . SING C2' C1' N N 20 . 35053 I 21 . SING C2' H2' N N 21 . 35053 I 22 . SING O2' HO2' N N 22 . 35053 I 23 . SING C1' N9 N N 23 . 35053 I 24 . SING C1' H1' N N 24 . 35053 I 25 . SING N9 C8 Y N 25 . 35053 I 26 . SING N9 C4 Y N 26 . 35053 I 27 . DOUB C8 N7 Y N 27 . 35053 I 28 . SING C8 H8 N N 28 . 35053 I 29 . SING N7 C5 Y N 29 . 35053 I 30 . SING C5 C6 N N 30 . 35053 I 31 . DOUB C5 C4 Y N 31 . 35053 I 32 . DOUB C6 O6 N N 32 . 35053 I 33 . SING C6 N1 N N 33 . 35053 I 34 . SING N1 C2 N N 34 . 35053 I 35 . SING N1 H1 N N 35 . 35053 I 36 . DOUB C2 N3 N N 36 . 35053 I 37 . SING C2 H2 N N 37 . 35053 I 38 . SING N3 C4 N N 38 . 35053 I stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 35053 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM no RNA (5'-R(*GP*AP*AP*IP*GP*GP*CP*AP*AP*CP*CP*UP*UP*CP*G)-3'), 15 mM no sodium phosphate, 25 mM no sodium chloride, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 "RNA (5'-R(*GP*AP*AP*IP*GP*GP*CP*AP*AP*CP*CP*UP*UP*CP*G)-3')" no 1 $assembly 1 $entity_1 . . 0.5 . . mM . . . . 35053 1 2 'sodium phosphate' no . . . . . . 15 . . mM . . . . 35053 1 3 'sodium chloride' no . . . . . . 25 . . mM . . . . 35053 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 35053 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM no RNA (5'-R(*GP*AP*AP*IP*GP*GP*CP*AP*AP*CP*CP*UP*UP*CP*G)-3'), 15 mM no sodium phosphate, 25 mM no sodium chloride, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 "RNA (5'-R(*GP*AP*AP*IP*GP*GP*CP*AP*AP*CP*CP*UP*UP*CP*G)-3')" no 1 $assembly 1 $entity_1 . . 0.5 . . mM . . . . 35053 2 2 'sodium phosphate' no . . . . . . 15 . . mM . . . . 35053 2 3 'sodium chloride' no . . . . . . 25 . . mM . . . . 35053 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 35053 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.5 mM no RNA (5'-R(*GP*AP*AP*IP*GP*GP*CP*AP*AP*CP*CP*UP*UP*CP*G)-3'), 15 mM no sodium phosphate, 25 mM no sodium chloride, 15 mg/mL no Pf1 phage, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 "RNA (5'-R(*GP*AP*AP*IP*GP*GP*CP*AP*AP*CP*CP*UP*UP*CP*G)-3')" no 1 $assembly 1 $entity_1 . . 1.5 . . mM . . . . 35053 3 2 'sodium phosphate' no . . . . . . 15 . . mM . . . . 35053 3 3 'sodium chloride' no . . . . . . 25 . . mM . . . . 35053 3 4 'Pf1 phage' no . . . . . . 15 . . mg/mL . . . . 35053 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 35053 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 35053 1 pH 6.5 . pH 35053 1 pressure 1 . bar 35053 1 temperature 298 . K 35053 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 35053 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 25 . mM 35053 2 pH 6.5 . pH 35053 2 pressure 1 . bar 35053 2 temperature 283 . K 35053 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 35053 _Software.ID 1 _Software.Type . _Software.Name Poky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Manthey, Tonelli, Clos II, Rahimi, Markley and Lee' . . 35053 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 35053 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 35053 _Software.ID 2 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 35053 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 35053 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 35053 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 35053 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 35053 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 35053 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 35053 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 35053 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE NEO' . 700 . . . 35053 1 2 NMR_spectrometer_2 Bruker 'AVANCE NEO' . 600 . . . 35053 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 35053 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35053 1 2 '2D NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35053 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35053 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35053 1 5 '2D 1H-13C HSQC' no . . . . . . . . . . . . 3 $sample_3 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 35053 1 6 '2D 1H-1H COSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 35053 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 35053 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 35053 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 35053 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 35053 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NOESY' . . . 35053 1 2 '2D NOESY' . . . 35053 1 3 '2D 1H-13C HSQC' . . . 35053 1 4 '2D 1H-1H TOCSY' . . . 35053 1 5 '2D 1H-13C HSQC' . . . 35053 1 6 '2D 1H-1H COSY' . . . 35053 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1 H 1 11.897 0.000 . 1 . . . . A 1 G H1 . 35053 1 2 . 1 . 1 1 1 G H1' H 1 5.775 0.003 . 1 . . . . A 1 G H1' . 35053 1 3 . 1 . 1 1 1 G H2' H 1 4.840 0.002 . 1 . . . . A 1 G H2' . 35053 1 4 . 1 . 1 1 1 G H3' H 1 4.580 0.001 . 1 . . . . A 1 G H3' . 35053 1 5 . 1 . 1 1 1 G H4' H 1 4.385 0.002 . 1 . . . . A 1 G H4' . 35053 1 6 . 1 . 1 1 1 G H5' H 1 4.040 0.005 . 1 . . . . A 1 G H5' . 35053 1 7 . 1 . 1 1 1 G H5'' H 1 3.914 0.005 . 1 . . . . A 1 G H5'' . 35053 1 8 . 1 . 1 1 1 G H8 H 1 8.034 0.001 . 1 . . . . A 1 G H8 . 35053 1 9 . 1 . 1 1 1 G C1' C 13 90.086 0.000 . 1 . . . . A 1 G C1' . 35053 1 10 . 1 . 1 1 1 G C2' C 13 72.461 0.000 . 1 . . . . A 1 G C2' . 35053 1 11 . 1 . 1 1 1 G C3' C 13 71.412 0.000 . 1 . . . . A 1 G C3' . 35053 1 12 . 1 . 1 1 1 G C4' C 13 81.960 0.000 . 1 . . . . A 1 G C4' . 35053 1 13 . 1 . 1 1 1 G C5' C 13 60.007 0.008 . 1 . . . . A 1 G C5' . 35053 1 14 . 1 . 1 1 1 G C8 C 13 135.801 0.000 . 1 . . . . A 1 G C8 . 35053 1 15 . 1 . 1 2 2 A H1' H 1 5.924 0.001 . 1 . . . . A 2 A H1' . 35053 1 16 . 1 . 1 2 2 A H2 H 1 7.082 0.001 . 1 . . . . A 2 A H2 . 35053 1 17 . 1 . 1 2 2 A H2' H 1 4.640 0.001 . 1 . . . . A 2 A H2' . 35053 1 18 . 1 . 1 2 2 A H3' H 1 4.718 0.003 . 1 . . . . A 2 A H3' . 35053 1 19 . 1 . 1 2 2 A H4' H 1 4.506 0.011 . 1 . . . . A 2 A H4' . 35053 1 20 . 1 . 1 2 2 A H5' H 1 4.547 0.002 . 1 . . . . A 2 A H5' . 35053 1 21 . 1 . 1 2 2 A H5'' H 1 4.182 0.001 . 1 . . . . A 2 A H5'' . 35053 1 22 . 1 . 1 2 2 A H8 H 1 7.866 0.001 . 1 . . . . A 2 A H8 . 35053 1 23 . 1 . 1 2 2 A C1' C 13 90.350 0.000 . 1 . . . . A 2 A C1' . 35053 1 24 . 1 . 1 2 2 A C2 C 13 150.155 0.000 . 1 . . . . A 2 A C2 . 35053 1 25 . 1 . 1 2 2 A C2' C 13 72.959 0.000 . 1 . . . . A 2 A C2' . 35053 1 26 . 1 . 1 2 2 A C3' C 13 70.046 0.000 . 1 . . . . A 2 A C3' . 35053 1 27 . 1 . 1 2 2 A C4' C 13 79.528 0.000 . 1 . . . . A 2 A C4' . 35053 1 28 . 1 . 1 2 2 A C5' C 13 62.440 0.004 . 1 . . . . A 2 A C5' . 35053 1 29 . 1 . 1 2 2 A C8 C 13 137.085 0.000 . 1 . . . . A 2 A C8 . 35053 1 30 . 1 . 1 3 3 A H1' H 1 5.755 0.002 . 1 . . . . A 3 A H1' . 35053 1 31 . 1 . 1 3 3 A H2 H 1 7.129 0.011 . 1 . . . . A 3 A H2 . 35053 1 32 . 1 . 1 3 3 A H2' H 1 4.399 0.002 . 1 . . . . A 3 A H2' . 35053 1 33 . 1 . 1 3 3 A H3' H 1 4.573 0.004 . 1 . . . . A 3 A H3' . 35053 1 34 . 1 . 1 3 3 A H4' H 1 4.471 0.007 . 1 . . . . A 3 A H4' . 35053 1 35 . 1 . 1 3 3 A H5' H 1 4.498 0.005 . 1 . . . . A 3 A H5' . 35053 1 36 . 1 . 1 3 3 A H5'' H 1 4.083 0.000 . 1 . . . . A 3 A H5'' . 35053 1 37 . 1 . 1 3 3 A H8 H 1 7.585 0.001 . 1 . . . . A 3 A H8 . 35053 1 38 . 1 . 1 3 3 A C1' C 13 90.005 0.000 . 1 . . . . A 3 A C1' . 35053 1 39 . 1 . 1 3 3 A C2 C 13 150.079 0.000 . 1 . . . . A 3 A C2 . 35053 1 40 . 1 . 1 3 3 A C3' C 13 70.124 0.000 . 1 . . . . A 3 A C3' . 35053 1 41 . 1 . 1 3 3 A C4' C 13 79.303 0.000 . 1 . . . . A 3 A C4' . 35053 1 42 . 1 . 1 3 3 A C5' C 13 62.691 0.019 . 1 . . . . A 3 A C5' . 35053 1 43 . 1 . 1 3 3 A C8 C 13 136.343 0.000 . 1 . . . . A 3 A C8 . 35053 1 44 . 1 . 1 4 4 I H1 H 1 15.317 0.008 . 1 . . . . A 4 I H1 . 35053 1 45 . 1 . 1 4 4 I H1' H 1 5.854 0.001 . 1 . . . . A 4 I H1' . 35053 1 46 . 1 . 1 4 4 I H2 H 1 7.422 0.001 . 1 . . . . A 4 I H2 . 35053 1 47 . 1 . 1 4 4 I H2' H 1 4.358 0.001 . 1 . . . . A 4 I H2' . 35053 1 48 . 1 . 1 4 4 I H3' H 1 4.592 0.007 . 1 . . . . A 4 I H3' . 35053 1 49 . 1 . 1 4 4 I H4' H 1 4.407 0.007 . 1 . . . . A 4 I H4' . 35053 1 50 . 1 . 1 4 4 I H5' H 1 4.492 0.002 . 1 . . . . A 4 I H5' . 35053 1 51 . 1 . 1 4 4 I H5'' H 1 4.060 0.003 . 1 . . . . A 4 I H5'' . 35053 1 52 . 1 . 1 4 4 I H8 H 1 7.624 0.001 . 1 . . . . A 4 I H8 . 35053 1 53 . 1 . 1 4 4 I C1' C 13 89.810 0.000 . 1 . . . . A 4 I C1' . 35053 1 54 . 1 . 1 4 4 I C2 C 13 145.046 0.000 . 1 . . . . A 4 I C2 . 35053 1 55 . 1 . 1 4 4 I C3' C 13 69.709 0.201 . 1 . . . . A 4 I C3' . 35053 1 56 . 1 . 1 4 4 I C4' C 13 79.162 0.000 . 1 . . . . A 4 I C4' . 35053 1 57 . 1 . 1 4 4 I C5' C 13 62.122 0.024 . 1 . . . . A 4 I C5' . 35053 1 58 . 1 . 1 4 4 I C8 C 13 136.055 0.000 . 1 . . . . A 4 I C8 . 35053 1 59 . 1 . 1 5 5 G H1 H 1 12.881 0.007 . 1 . . . . A 5 G H1 . 35053 1 60 . 1 . 1 5 5 G H1' H 1 5.623 0.004 . 1 . . . . A 5 G H1' . 35053 1 61 . 1 . 1 5 5 G H2' H 1 4.356 0.000 . 1 . . . . A 5 G H2' . 35053 1 62 . 1 . 1 5 5 G H4' H 1 4.420 0.000 . 1 . . . . A 5 G H4' . 35053 1 63 . 1 . 1 5 5 G H5'' H 1 4.008 0.002 . 1 . . . . A 5 G H5'' . 35053 1 64 . 1 . 1 5 5 G H8 H 1 7.003 0.001 . 1 . . . . A 5 G H8 . 35053 1 65 . 1 . 1 5 5 G C1' C 13 89.808 0.000 . 1 . . . . A 5 G C1' . 35053 1 66 . 1 . 1 5 5 G C8 C 13 132.552 0.000 . 1 . . . . A 5 G C8 . 35053 1 67 . 1 . 1 6 6 G H1 H 1 10.430 0.002 . 1 . . . . A 6 G H1 . 35053 1 68 . 1 . 1 6 6 G H1' H 1 5.662 0.002 . 1 . . . . A 6 G H1' . 35053 1 69 . 1 . 1 6 6 G H2' H 1 4.381 0.003 . 1 . . . . A 6 G H2' . 35053 1 70 . 1 . 1 6 6 G H3' H 1 4.271 0.007 . 1 . . . . A 6 G H3' . 35053 1 71 . 1 . 1 6 6 G H4' H 1 4.489 0.001 . 1 . . . . A 6 G H4' . 35053 1 72 . 1 . 1 6 6 G H5' H 1 4.419 0.000 . 1 . . . . A 6 G H5' . 35053 1 73 . 1 . 1 6 6 G H5'' H 1 4.000 0.000 . 1 . . . . A 6 G H5'' . 35053 1 74 . 1 . 1 6 6 G H8 H 1 7.061 0.004 . 1 . . . . A 6 G H8 . 35053 1 75 . 1 . 1 6 6 G C1' C 13 91.011 0.000 . 1 . . . . A 6 G C1' . 35053 1 76 . 1 . 1 6 6 G C2' C 13 79.721 0.000 . 1 . . . . A 6 G C2' . 35053 1 77 . 1 . 1 6 6 G C3' C 13 72.827 0.000 . 1 . . . . A 6 G C3' . 35053 1 78 . 1 . 1 6 6 G C4' C 13 79.531 0.000 . 1 . . . . A 6 G C4' . 35053 1 79 . 1 . 1 6 6 G C8 C 13 132.993 0.000 . 1 . . . . A 6 G C8 . 35053 1 80 . 1 . 1 7 7 C H1' H 1 3.593 0.000 . 1 . . . . A 7 C H1' . 35053 1 81 . 1 . 1 7 7 C H2' H 1 3.957 0.001 . 1 . . . . A 7 C H2' . 35053 1 82 . 1 . 1 7 7 C H5 H 1 6.012 0.002 . 1 . . . . A 7 C H5 . 35053 1 83 . 1 . 1 7 7 C H5' H 1 4.195 0.004 . 1 . . . . A 7 C H5' . 35053 1 84 . 1 . 1 7 7 C H5'' H 1 4.104 0.000 . 1 . . . . A 7 C H5'' . 35053 1 85 . 1 . 1 7 7 C H6 H 1 7.802 0.003 . 1 . . . . A 7 C H6 . 35053 1 86 . 1 . 1 7 7 C C2' C 13 71.626 0.000 . 1 . . . . A 7 C C2' . 35053 1 87 . 1 . 1 7 7 C C5 C 13 96.677 0.000 . 1 . . . . A 7 C C5 . 35053 1 88 . 1 . 1 7 7 C C5' C 13 66.565 0.018 . 1 . . . . A 7 C C5' . 35053 1 89 . 1 . 1 7 7 C C6 C 13 139.228 0.000 . 1 . . . . A 7 C C6 . 35053 1 90 . 1 . 1 8 8 A H1' H 1 5.980 0.001 . 1 . . . . A 8 A H1' . 35053 1 91 . 1 . 1 8 8 A H2 H 1 8.128 0.001 . 1 . . . . A 8 A H2 . 35053 1 92 . 1 . 1 8 8 A H2' H 1 4.386 0.001 . 1 . . . . A 8 A H2' . 35053 1 93 . 1 . 1 8 8 A H3' H 1 4.921 0.002 . 1 . . . . A 8 A H3' . 35053 1 94 . 1 . 1 8 8 A H4' H 1 4.100 0.004 . 1 . . . . A 8 A H4' . 35053 1 95 . 1 . 1 8 8 A H5' H 1 4.510 0.003 . 1 . . . . A 8 A H5' . 35053 1 96 . 1 . 1 8 8 A H5'' H 1 4.213 0.005 . 1 . . . . A 8 A H5'' . 35053 1 97 . 1 . 1 8 8 A H8 H 1 8.127 0.001 . 1 . . . . A 8 A H8 . 35053 1 98 . 1 . 1 8 8 A C1' C 13 89.155 0.000 . 1 . . . . A 8 A C1' . 35053 1 99 . 1 . 1 8 8 A C2 C 13 152.874 0.000 . 1 . . . . A 8 A C2 . 35053 1 100 . 1 . 1 8 8 A C2' C 13 74.043 0.000 . 1 . . . . A 8 A C2' . 35053 1 101 . 1 . 1 8 8 A C4' C 13 80.106 0.000 . 1 . . . . A 8 A C4' . 35053 1 102 . 1 . 1 8 8 A C5' C 13 62.758 0.018 . 1 . . . . A 8 A C5' . 35053 1 103 . 1 . 1 8 8 A C8 C 13 137.665 0.000 . 1 . . . . A 8 A C8 . 35053 1 104 . 1 . 1 9 9 A H1' H 1 5.626 0.001 . 1 . . . . A 9 A H1' . 35053 1 105 . 1 . 1 9 9 A H2 H 1 7.707 0.001 . 1 . . . . A 9 A H2 . 35053 1 106 . 1 . 1 9 9 A H2' H 1 4.335 0.001 . 1 . . . . A 9 A H2' . 35053 1 107 . 1 . 1 9 9 A H3' H 1 4.582 0.001 . 1 . . . . A 9 A H3' . 35053 1 108 . 1 . 1 9 9 A H4' H 1 4.242 0.000 . 1 . . . . A 9 A H4' . 35053 1 109 . 1 . 1 9 9 A H5'' H 1 3.898 0.001 . 1 . . . . A 9 A H5'' . 35053 1 110 . 1 . 1 9 9 A H8 H 1 8.062 0.001 . 1 . . . . A 9 A H8 . 35053 1 111 . 1 . 1 9 9 A C1' C 13 89.740 0.000 . 1 . . . . A 9 A C1' . 35053 1 112 . 1 . 1 9 9 A C2 C 13 151.828 0.000 . 1 . . . . A 9 A C2 . 35053 1 113 . 1 . 1 9 9 A C2' C 13 73.459 0.000 . 1 . . . . A 9 A C2' . 35053 1 114 . 1 . 1 9 9 A C4' C 13 80.203 0.000 . 1 . . . . A 9 A C4' . 35053 1 115 . 1 . 1 9 9 A C5' C 13 62.484 0.000 . 1 . . . . A 9 A C5' . 35053 1 116 . 1 . 1 9 9 A C8 C 13 137.699 0.000 . 1 . . . . A 9 A C8 . 35053 1 117 . 1 . 1 10 10 C H1' H 1 5.343 0.003 . 1 . . . . A 10 C H1' . 35053 1 118 . 1 . 1 10 10 C H2' H 1 4.353 0.003 . 1 . . . . A 10 C H2' . 35053 1 119 . 1 . 1 10 10 C H3' H 1 4.088 0.002 . 1 . . . . A 10 C H3' . 35053 1 120 . 1 . 1 10 10 C H4' H 1 4.040 0.001 . 1 . . . . A 10 C H4' . 35053 1 121 . 1 . 1 10 10 C H5 H 1 5.445 0.001 . 1 . . . . A 10 C H5 . 35053 1 122 . 1 . 1 10 10 C H5' H 1 4.135 0.000 . 1 . . . . A 10 C H5' . 35053 1 123 . 1 . 1 10 10 C H5'' H 1 3.801 0.001 . 1 . . . . A 10 C H5'' . 35053 1 124 . 1 . 1 10 10 C H6 H 1 7.684 0.001 . 1 . . . . A 10 C H6 . 35053 1 125 . 1 . 1 10 10 C C1' C 13 90.353 0.000 . 1 . . . . A 10 C C1' . 35053 1 126 . 1 . 1 10 10 C C2' C 13 73.159 0.000 . 1 . . . . A 10 C C2' . 35053 1 127 . 1 . 1 10 10 C C3' C 13 70.108 0.000 . 1 . . . . A 10 C C3' . 35053 1 128 . 1 . 1 10 10 C C4' C 13 80.018 0.000 . 1 . . . . A 10 C C4' . 35053 1 129 . 1 . 1 10 10 C C5 C 13 94.532 0.000 . 1 . . . . A 10 C C5 . 35053 1 130 . 1 . 1 10 10 C C5' C 13 61.677 0.006 . 1 . . . . A 10 C C5' . 35053 1 131 . 1 . 1 10 10 C C6 C 13 140.379 0.000 . 1 . . . . A 10 C C6 . 35053 1 132 . 1 . 1 11 11 C H1' H 1 5.448 0.004 . 1 . . . . A 11 C H1' . 35053 1 133 . 1 . 1 11 11 C H2' H 1 4.372 0.006 . 1 . . . . A 11 C H2' . 35053 1 134 . 1 . 1 11 11 C H3' H 1 4.460 0.003 . 1 . . . . A 11 C H3' . 35053 1 135 . 1 . 1 11 11 C H4' H 1 4.304 0.002 . 1 . . . . A 11 C H4' . 35053 1 136 . 1 . 1 11 11 C H5 H 1 5.526 0.001 . 1 . . . . A 11 C H5 . 35053 1 137 . 1 . 1 11 11 C H5' H 1 4.393 0.002 . 1 . . . . A 11 C H5' . 35053 1 138 . 1 . 1 11 11 C H5'' H 1 3.960 0.002 . 1 . . . . A 11 C H5'' . 35053 1 139 . 1 . 1 11 11 C H6 H 1 7.790 0.002 . 1 . . . . A 11 C H6 . 35053 1 140 . 1 . 1 11 11 C C1' C 13 91.410 0.000 . 1 . . . . A 11 C C1' . 35053 1 141 . 1 . 1 11 11 C C2' C 13 72.483 0.000 . 1 . . . . A 11 C C2' . 35053 1 142 . 1 . 1 11 11 C C3' C 13 69.437 0.000 . 1 . . . . A 11 C C3' . 35053 1 143 . 1 . 1 11 11 C C4' C 13 79.153 0.000 . 1 . . . . A 11 C C4' . 35053 1 144 . 1 . 1 11 11 C C5 C 13 94.524 0.000 . 1 . . . . A 11 C C5 . 35053 1 145 . 1 . 1 11 11 C C5' C 13 61.350 0.005 . 1 . . . . A 11 C C5' . 35053 1 146 . 1 . 1 11 11 C C6 C 13 139.329 0.000 . 1 . . . . A 11 C C6 . 35053 1 147 . 1 . 1 12 12 U H1' H 1 5.577 0.001 . 1 . . . . A 12 U H1' . 35053 1 148 . 1 . 1 12 12 U H2' H 1 4.293 0.004 . 1 . . . . A 12 U H2' . 35053 1 149 . 1 . 1 12 12 U H3 H 1 13.744 0.000 . 1 . . . . A 12 U H3 . 35053 1 150 . 1 . 1 12 12 U H3' H 1 4.478 0.002 . 1 . . . . A 12 U H3' . 35053 1 151 . 1 . 1 12 12 U H4' H 1 4.374 0.000 . 1 . . . . A 12 U H4' . 35053 1 152 . 1 . 1 12 12 U H5 H 1 5.487 0.009 . 1 . . . . A 12 U H5 . 35053 1 153 . 1 . 1 12 12 U H5' H 1 4.425 0.000 . 1 . . . . A 12 U H5' . 35053 1 154 . 1 . 1 12 12 U H5'' H 1 4.036 0.003 . 1 . . . . A 12 U H5'' . 35053 1 155 . 1 . 1 12 12 U H6 H 1 7.940 0.002 . 1 . . . . A 12 U H6 . 35053 1 156 . 1 . 1 12 12 U C1' C 13 90.793 0.000 . 1 . . . . A 12 U C1' . 35053 1 157 . 1 . 1 12 12 U C2' C 13 72.776 0.000 . 1 . . . . A 12 U C2' . 35053 1 158 . 1 . 1 12 12 U C3' C 13 69.778 0.000 . 1 . . . . A 12 U C3' . 35053 1 159 . 1 . 1 12 12 U C4' C 13 79.349 0.000 . 1 . . . . A 12 U C4' . 35053 1 160 . 1 . 1 12 12 U C5 C 13 100.540 0.000 . 1 . . . . A 12 U C5 . 35053 1 161 . 1 . 1 12 12 U C5' C 13 62.190 0.019 . 1 . . . . A 12 U C5' . 35053 1 162 . 1 . 1 12 12 U C6 C 13 139.536 0.000 . 1 . . . . A 12 U C6 . 35053 1 163 . 1 . 1 13 13 U H1' H 1 5.512 0.005 . 1 . . . . A 13 U H1' . 35053 1 164 . 1 . 1 13 13 U H2' H 1 4.299 0.004 . 1 . . . . A 13 U H2' . 35053 1 165 . 1 . 1 13 13 U H3 H 1 13.499 0.014 . 1 . . . . A 13 U H3 . 35053 1 166 . 1 . 1 13 13 U H3' H 1 4.473 0.010 . 1 . . . . A 13 U H3' . 35053 1 167 . 1 . 1 13 13 U H4' H 1 4.368 0.007 . 1 . . . . A 13 U H4' . 35053 1 168 . 1 . 1 13 13 U H5 H 1 5.496 0.006 . 1 . . . . A 13 U H5 . 35053 1 169 . 1 . 1 13 13 U H5'' H 1 4.027 0.015 . 1 . . . . A 13 U H5'' . 35053 1 170 . 1 . 1 13 13 U H6 H 1 7.914 0.005 . 1 . . . . A 13 U H6 . 35053 1 171 . 1 . 1 13 13 U C1' C 13 90.893 0.000 . 1 . . . . A 13 U C1' . 35053 1 172 . 1 . 1 13 13 U C2' C 13 72.692 0.000 . 1 . . . . A 13 U C2' . 35053 1 173 . 1 . 1 13 13 U C4' C 13 79.329 0.000 . 1 . . . . A 13 U C4' . 35053 1 174 . 1 . 1 13 13 U C5 C 13 100.705 0.000 . 1 . . . . A 13 U C5 . 35053 1 175 . 1 . 1 13 13 U C5' C 13 61.828 0.000 . 1 . . . . A 13 U C5' . 35053 1 176 . 1 . 1 13 13 U C6 C 13 139.818 0.007 . 1 . . . . A 13 U C6 . 35053 1 177 . 1 . 1 14 14 C H1' H 1 5.428 0.001 . 1 . . . . A 14 C H1' . 35053 1 178 . 1 . 1 14 14 C H2' H 1 4.279 0.000 . 1 . . . . A 14 C H2' . 35053 1 179 . 1 . 1 14 14 C H3' H 1 4.421 0.004 . 1 . . . . A 14 C H3' . 35053 1 180 . 1 . 1 14 14 C H4' H 1 4.310 0.002 . 1 . . . . A 14 C H4' . 35053 1 181 . 1 . 1 14 14 C H5 H 1 5.471 0.004 . 1 . . . . A 14 C H5 . 35053 1 182 . 1 . 1 14 14 C H5' H 1 4.419 0.000 . 1 . . . . A 14 C H5' . 35053 1 183 . 1 . 1 14 14 C H5'' H 1 4.038 0.000 . 1 . . . . A 14 C H5'' . 35053 1 184 . 1 . 1 14 14 C H6 H 1 7.609 0.001 . 1 . . . . A 14 C H6 . 35053 1 185 . 1 . 1 14 14 C C1' C 13 91.103 0.000 . 1 . . . . A 14 C C1' . 35053 1 186 . 1 . 1 14 14 C C3' C 13 69.669 0.000 . 1 . . . . A 14 C C3' . 35053 1 187 . 1 . 1 14 14 C C4' C 13 79.171 0.000 . 1 . . . . A 14 C C4' . 35053 1 188 . 1 . 1 14 14 C C5 C 13 95.014 0.000 . 1 . . . . A 14 C C5 . 35053 1 189 . 1 . 1 14 14 C C5' C 13 61.818 0.000 . 1 . . . . A 14 C C5' . 35053 1 190 . 1 . 1 14 14 C C6 C 13 138.124 0.000 . 1 . . . . A 14 C C6 . 35053 1 191 . 1 . 1 15 15 G H1' H 1 5.608 0.004 . 1 . . . . A 15 G H1' . 35053 1 192 . 1 . 1 15 15 G H2' H 1 3.974 0.002 . 1 . . . . A 15 G H2' . 35053 1 193 . 1 . 1 15 15 G H3' H 1 4.170 0.001 . 1 . . . . A 15 G H3' . 35053 1 194 . 1 . 1 15 15 G H4' H 1 4.109 0.001 . 1 . . . . A 15 G H4' . 35053 1 195 . 1 . 1 15 15 G H5' H 1 4.292 0.002 . 1 . . . . A 15 G H5' . 35053 1 196 . 1 . 1 15 15 G H5'' H 1 3.952 0.000 . 1 . . . . A 15 G H5'' . 35053 1 197 . 1 . 1 15 15 G H8 H 1 7.542 0.001 . 1 . . . . A 15 G H8 . 35053 1 198 . 1 . 1 15 15 G C1' C 13 88.786 0.000 . 1 . . . . A 15 G C1' . 35053 1 199 . 1 . 1 15 15 G C2' C 13 74.934 0.000 . 1 . . . . A 15 G C2' . 35053 1 200 . 1 . 1 15 15 G C3' C 13 67.833 0.000 . 1 . . . . A 15 G C3' . 35053 1 201 . 1 . 1 15 15 G C4' C 13 81.485 0.000 . 1 . . . . A 15 G C4' . 35053 1 202 . 1 . 1 15 15 G C5' C 13 62.885 0.005 . 1 . . . . A 15 G C5' . 35053 1 203 . 1 . 1 15 15 G C8 C 13 134.897 0.000 . 1 . . . . A 15 G C8 . 35053 1 stop_ save_