data_19662 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19662 _Entry.Title ; NMR structure of the I-V kissing-loop interaction of the Neurospora VS ribozyme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-05 _Entry.Accession_date 2013-12-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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.Entry_ID 1 Patricia Bouchard . . . 19662 2 Pascale Legault . . . 19662 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19662 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'kissing-loop interaction' . 19662 'Neurospora VS ribozyme' . 19662 'NMR structural studies' . 19662 'substrate recognition' . 19662 U-turn . 19662 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19662 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 186 19662 '15N chemical shifts' 67 19662 '1H chemical shifts' 231 19662 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 2 . . 2014-01-31 2013-12-05 update BMRB 'update entry citation' 19662 1 . . 2014-01-10 2013-12-05 original author 'original release' 19662 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MI0 'BMRB Entry Tracking System' 19662 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 19662 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24325625 _Citation.Full_citation . _Citation.Title 'Structural insights into substrate recognition by the neurospora varkud satellite ribozyme: importance of u-turns at the kissing-loop junction.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full Biochemistry _Citation.Journal_volume 53 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 258 _Citation.Page_last 269 _Citation.Year 2014 _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.Entry_ID _Citation_author.Citation_ID 1 Patricia Bouchard . . . 19662 1 2 Pascale Legault . . . 19662 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19662 _Assembly.ID 1 _Assembly.Name 'I-V kissing-loop interaction of the Neurospora VS ribozyme' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 'RNA (5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') A . yes native no no . . . 19662 1 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') B . yes native no no . . . 19662 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') _Entity.Sf_category entity _Entity.Sf_framecode RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') _Entity.Entry_ID 19662 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') _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 ; GAGCAGCAUCGUCGGCUGCU CA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 22 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7049.290 _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 . 19662 1 2 . A . 19662 1 3 . G . 19662 1 4 . C . 19662 1 5 . A . 19662 1 6 . G . 19662 1 7 . C . 19662 1 8 . A . 19662 1 9 . U . 19662 1 10 . C . 19662 1 11 . G . 19662 1 12 . U . 19662 1 13 . C . 19662 1 14 . G . 19662 1 15 . G . 19662 1 16 . C . 19662 1 17 . U . 19662 1 18 . G . 19662 1 19 . C . 19662 1 20 . U . 19662 1 21 . C . 19662 1 22 . A . 19662 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 19662 1 . A 2 2 19662 1 . G 3 3 19662 1 . C 4 4 19662 1 . A 5 5 19662 1 . G 6 6 19662 1 . C 7 7 19662 1 . A 8 8 19662 1 . U 9 9 19662 1 . C 10 10 19662 1 . G 11 11 19662 1 . U 12 12 19662 1 . C 13 13 19662 1 . G 14 14 19662 1 . G 15 15 19662 1 . C 16 16 19662 1 . U 17 17 19662 1 . G 18 18 19662 1 . C 19 19 19662 1 . U 20 20 19662 1 . C 21 21 19662 1 . A 22 22 19662 1 stop_ save_ save_RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') _Entity.Sf_category entity _Entity.Sf_framecode RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') _Entity.Entry_ID 19662 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCGGCAGUUGACUACUGUCG C ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 21 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6721.066 _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 1 101 G . 19662 2 2 102 C . 19662 2 3 103 G . 19662 2 4 104 G . 19662 2 5 105 C . 19662 2 6 106 A . 19662 2 7 107 G . 19662 2 8 108 U . 19662 2 9 109 U . 19662 2 10 110 G . 19662 2 11 111 A . 19662 2 12 112 C . 19662 2 13 113 U . 19662 2 14 114 A . 19662 2 15 115 C . 19662 2 16 116 U . 19662 2 17 117 G . 19662 2 18 118 U . 19662 2 19 119 C . 19662 2 20 120 G . 19662 2 21 121 C . 19662 2 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 19662 2 . C 2 2 19662 2 . G 3 3 19662 2 . G 4 4 19662 2 . C 5 5 19662 2 . A 6 6 19662 2 . G 7 7 19662 2 . U 8 8 19662 2 . U 9 9 19662 2 . G 10 10 19662 2 . A 11 11 19662 2 . C 12 12 19662 2 . U 13 13 19662 2 . A 14 14 19662 2 . C 15 15 19662 2 . U 16 16 19662 2 . G 17 17 19662 2 . U 18 18 19662 2 . C 19 19 19662 2 . G 20 20 19662 2 . C 21 21 19662 2 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 19662 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . 5141 organism . 'Neurospora crassa' 'Neurospora crassa' . . Eukaryota Fungi Neurospora crassa . . . . . . . . . . . . . . . . . . . . . 19662 1 2 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . 5141 organism . 'Neurospora crassa' 'Neurospora crassa' . . Eukaryota Fungi Neurospora crassa . . . . . . . . . . . . . . . . . . . . . 19662 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 19662 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19662 1 2 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . 'enzymatic semisynthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 19662 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19662 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' 'natural abundance' . . 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . . . 1.3 2.2 mM . . . . 19662 1 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' [U-15N] . . 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . . . 1.3 2.2 mM . . . . 19662 1 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19662 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19662 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19662 1 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19662 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19662 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' 'natural abundance' . . 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . . 1.5 . . mM . . . . 19662 2 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' '[U-13C; U-15N]' . . 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . . 1.5 . . mM . . . . 19662 2 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19662 2 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19662 2 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19662 2 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19662 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19662 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' [U-15N] . . 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . . 1.4 . . mM . . . . 19662 3 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' 'natural abundance' . . 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . . 1.4 . . mM . . . . 19662 3 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19662 3 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19662 3 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19662 3 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19662 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 19662 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' '[U-13C; U-15N]' . . 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . . 1.7 . . mM . . . . 19662 4 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' 'natural abundance' . . 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . . 1.7 . . mM . . . . 19662 4 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19662 4 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19662 4 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19662 4 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19662 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 19662 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' '[U-13C; U-15N]-Gua' . . 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . . 1.4 . . mM . . . . 19662 5 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' 'natural abundance' . . 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . . 1.4 . . mM . . . . 19662 5 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19662 5 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19662 5 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19662 5 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19662 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 19662 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'The labeling is actually [U-13C;U-15N]-Gua+Cyt, but is not in the choice' _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*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' '[U-13C; U-15N]-Gua' . . 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . . 1.4 . . mM . . . . 19662 6 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' 'natural abundance' . . 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . . 1.4 . . mM . . . . 19662 6 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19662 6 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19662 6 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19662 6 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19662 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 19662 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' [U-15N] . . 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . . 1.4 . . mM . . . . 19662 7 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' 'natural abundance' . . 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . . 1.4 . . mM . . . . 19662 7 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19662 7 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19662 7 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19662 7 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19662 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 19662 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' 'natural abundance' . . 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . . 1.3 . . mM . . . . 19662 8 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' [U-15N] . . 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . . 1.3 . . mM . . . . 19662 8 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19662 8 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19662 8 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19662 8 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19662 8 stop_ save_ save_sample_9 _Sample.Sf_category sample _Sample.Sf_framecode sample_9 _Sample.Entry_ID 19662 _Sample.ID 9 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' '[U-13C; U-15N]' . . 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . . 1.7 . . mM . . . . 19662 9 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' 'natural abundance' . . 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . . 1.7 . . mM . . . . 19662 9 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19662 9 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19662 9 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19662 9 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19662 9 stop_ save_ save_sample_10 _Sample.Sf_category sample _Sample.Sf_framecode sample_10 _Sample.Entry_ID 19662 _Sample.ID 10 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' 'natural abundance' . . 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . . 1.5 . . mM . . . . 19662 10 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' '[U-13C; U-15N]' . . 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . . 1.5 . . mM . . . . 19662 10 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19662 10 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19662 10 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19662 10 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19662 10 stop_ save_ save_sample_11 _Sample.Sf_category sample _Sample.Sf_framecode sample_11 _Sample.Entry_ID 19662 _Sample.ID 11 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details . _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*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3')' [U-15N] . . 1 $RNA_(5'-R(*GP*AP*GP*CP*AP*GP*CP*AP*UP*CP*GP*UP*CP*GP*GP*CP*UP*GP*CP*UP*CP*A)-3') . . . 0.2 0.3 mM . . . . 19662 11 2 'RNA (5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3')' [U-15N] . . 2 $RNA_(5'-R(*GP*CP*GP*GP*CP*AP*GP*UP*UP*GP*AP*CP*UP*AP*CP*UP*GP*UP*CP*GP*C)-3') . . . 0.2 0.3 mM . . . . 19662 11 3 TRIS [U-2H] . . . . . . 10 . . mM . . . . 19662 11 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19662 11 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19662 11 6 'magnesium chloride' 'natural abundance' . . . . . . 5 . . mM . . . . 19662 11 7 'Pf1 phage' 'natural abundance' . . . . . . 14.6-20.5 . . mg/mL . . . . 19662 11 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 19662 _Sample_condition_list.ID 1 _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' 55 . mM 19662 1 pH 7.0 . pH 19662 1 pressure 1 . atm 19662 1 temperature 298 . K 19662 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 19662 _Sample_condition_list.ID 2 _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' 55 . mM 19662 2 pH 7.0 . pH 19662 2 pressure 1 . atm 19662 2 temperature 288 . K 19662 2 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19662 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19662 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19662 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19662 _Software.ID 2 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19662 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19662 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19662 _Software.ID 3 _Software.Name X-PLOR_NIH _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19662 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19662 3 'structure solution' 19662 3 stop_ save_ save_PyMOL _Software.Sf_category software _Software.Sf_framecode PyMOL _Software.Entry_ID 19662 _Software.ID 4 _Software.Name PyMOL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Schrodinger . . 19662 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure analysis' 19662 4 'Structure display' 19662 4 stop_ save_ save_CCPNMR_suite _Software.Sf_category software _Software.Sf_framecode CCPNMR_suite _Software.Entry_ID 19662 _Software.ID 5 _Software.Name CCPNMR_suite _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19662 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19662 5 'data analysis' 19662 5 'peak picking' 19662 5 stop_ save_ save_CURVES_+ _Software.Sf_category software _Software.Sf_framecode CURVES_+ _Software.Entry_ID 19662 _Software.ID 6 _Software.Name CURVES_+ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(CURVES) Lavery, R., Moakher, M., Maddocks, J.H., Petkeviciute, D. and Zakrzewska, K.' . . 19662 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Structure analysis' 19662 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19662 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19662 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 19662 _NMR_spectrometer_list.ID 1 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 spectrometer_1 Varian INOVA . 500 . . . 19662 1 2 spectrometer_2 Varian INOVA . 600 . . . 19662 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 19662 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 3 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 4 '2D 1H-15N HSQC NH2 only' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 5 '2D 1H-15N NHH COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 6 '2D 1H-15N NHH COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 7 '2D 1H-15N HMQC J=21Hz' no . . . . . . . . . . 7 $sample_7 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 8 '2D 1H-15N HMQC J=21Hz' no . . . . . . . . . . 8 $sample_8 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 9 '2D 1H-15N CPMG NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 10 '2D 1H-15N CPMG NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 11 '2D 1H-1H flip-back watergate NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 12 '3D 15N-edited NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 13 '3D 15N-edited NOESY-HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 14 '2D 1H-13C CT-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 15 '2D 1H-13C CT-HSQC' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 16 '2D 1H-13C CT-HSQC' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 17 '2D 1H-13C CT-HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 18 '3D 15N/13C-edited NOESY-HSQC' no . . . . . . . . . . 9 $sample_9 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 19 '3D 15N/13C-edited NOESY-HSQC' no . . . . . . . . . . 10 $sample_10 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 20 '3D 13C-edited HMQC-NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 21 '3D 13C-edited HMQC-NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 22 '3D 13C-edited HMQC-NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 23 '3D 13C-edited HMQC-NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 24 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 25 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 26 '3D HCCH-COSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19662 1 27 '1D 15N-decoupled 1H watergate' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 28 '1D 15N-decoupled 1H watergate' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 29 '1D 15N-filtered 1H watergate' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 30 '1D 15N-filtered 1H watergate' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 31 '1D 15N-edited 1H watergate' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 32 '1D 15N-edited 1H watergate' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 33 '2D 1H-15N HSQC' no . . . . . . . . . . 11 $sample_11 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19662 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19662 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19662 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19662 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19662 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19662 _Assigned_chem_shift_list.ID 1 _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 $chemical_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 1H-15N HSQC' . . . 19662 1 2 '2D 1H-15N HSQC' . . . 19662 1 3 '2D 1H-15N HSQC NH2 only' . . . 19662 1 4 '2D 1H-15N HSQC NH2 only' . . . 19662 1 5 '2D 1H-15N NHH COSY' . . . 19662 1 6 '2D 1H-15N NHH COSY' . . . 19662 1 7 '2D 1H-15N HMQC J=21Hz' . . . 19662 1 8 '2D 1H-15N HMQC J=21Hz' . . . 19662 1 14 '2D 1H-13C CT-HSQC' . . . 19662 1 15 '2D 1H-13C CT-HSQC' . . . 19662 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 11.923 0.01 . 1 . . . A 1 G H1 . 19662 1 2 . 1 1 1 1 G H1' H 1 5.873 0.02 . 1 . . . A 1 G H1' . 19662 1 3 . 1 1 1 1 G H2' H 1 4.832 0.02 . 1 . . . A 1 G H2' . 19662 1 4 . 1 1 1 1 G H3' H 1 4.643 0.02 . 1 . . . A 1 G H3' . 19662 1 5 . 1 1 1 1 G H4' H 1 4.454 0.02 . 1 . . . A 1 G H4' . 19662 1 6 . 1 1 1 1 G H5' H 1 3.968 0.02 . 2 . . . A 1 G H5' . 19662 1 7 . 1 1 1 1 G H5'' H 1 4.134 0.02 . 2 . . . A 1 G H5'' . 19662 1 8 . 1 1 1 1 G H8 H 1 8.135 0.02 . 1 . . . A 1 G H8 . 19662 1 9 . 1 1 1 1 G C1' C 13 93.042 0.2 . 1 . . . A 1 G C1' . 19662 1 10 . 1 1 1 1 G C2' C 13 75.236 0.2 . 1 . . . A 1 G C2' . 19662 1 11 . 1 1 1 1 G C3' C 13 73.845 0.2 . 1 . . . A 1 G C3' . 19662 1 12 . 1 1 1 1 G C4' C 13 84.509 0.2 . 1 . . . A 1 G C4' . 19662 1 13 . 1 1 1 1 G C5' C 13 62.409 0.2 . 1 . . . A 1 G C5' . 19662 1 14 . 1 1 1 1 G C8 C 13 138.744 0.2 . 1 . . . A 1 G C8 . 19662 1 15 . 1 1 1 1 G N1 N 15 146.668 0.01 . 1 . . . A 1 G N1 . 19662 1 16 . 1 1 1 1 G N7 N 15 231.521 0.2 . 1 . . . A 1 G N7 . 19662 1 17 . 1 1 1 1 G N9 N 15 169.854 0.2 . 1 . . . A 1 G N9 . 19662 1 18 . 1 1 2 2 A H1' H 1 5.988 0.02 . 1 . . . A 2 A H1' . 19662 1 19 . 1 1 2 2 A H2 H 1 7.401 0.02 . 1 . . . A 2 A H2 . 19662 1 20 . 1 1 2 2 A H2' H 1 4.674 0.02 . 1 . . . A 2 A H2' . 19662 1 21 . 1 1 2 2 A H3' H 1 4.768 0.02 . 1 . . . A 2 A H3' . 19662 1 22 . 1 1 2 2 A H8 H 1 7.989 0.02 . 1 . . . A 2 A H8 . 19662 1 23 . 1 1 2 2 A C1' C 13 92.830 0.2 . 1 . . . A 2 A C1' . 19662 1 24 . 1 1 2 2 A C2 C 13 153.317 0.2 . 1 . . . A 2 A C2 . 19662 1 25 . 1 1 2 2 A C2' C 13 75.491 0.2 . 1 . . . A 2 A C2' . 19662 1 26 . 1 1 2 2 A C3' C 13 72.552 0.2 . 1 . . . A 2 A C3' . 19662 1 27 . 1 1 2 2 A C8 C 13 139.755 0.2 . 1 . . . A 2 A C8 . 19662 1 28 . 1 1 2 2 A N1 N 15 220.820 0.2 . 1 . . . A 2 A N1 . 19662 1 29 . 1 1 2 2 A N3 N 15 212.380 0.2 . 1 . . . A 2 A N3 . 19662 1 30 . 1 1 2 2 A N7 N 15 228.170 0.2 . 1 . . . A 2 A N7 . 19662 1 31 . 1 1 2 2 A N9 N 15 170.790 0.2 . 1 . . . A 2 A N9 . 19662 1 32 . 1 1 3 3 G H1 H 1 13.311 0.01 . 1 . . . A 3 G H1 . 19662 1 33 . 1 1 3 3 G H1' H 1 5.659 0.02 . 1 . . . A 3 G H1' . 19662 1 34 . 1 1 3 3 G H2' H 1 4.366 0.02 . 1 . . . A 3 G H2' . 19662 1 35 . 1 1 3 3 G H3' H 1 4.478 0.02 . 1 . . . A 3 G H3' . 19662 1 36 . 1 1 3 3 G H8 H 1 7.304 0.02 . 1 . . . A 3 G H8 . 19662 1 37 . 1 1 3 3 G C1' C 13 92.507 0.2 . 1 . . . A 3 G C1' . 19662 1 38 . 1 1 3 3 G C2' C 13 75.221 0.2 . 1 . . . A 3 G C2' . 19662 1 39 . 1 1 3 3 G C3' C 13 72.492 0.2 . 1 . . . A 3 G C3' . 19662 1 40 . 1 1 3 3 G C8 C 13 135.659 0.2 . 1 . . . A 3 G C8 . 19662 1 41 . 1 1 3 3 G N1 N 15 147.990 0.1 . 1 . . . A 3 G N1 . 19662 1 42 . 1 1 3 3 G N7 N 15 233.358 0.2 . 1 . . . A 3 G N7 . 19662 1 43 . 1 1 3 3 G N9 N 15 169.651 0.2 . 1 . . . A 3 G N9 . 19662 1 44 . 1 1 4 4 C H1' H 1 5.469 0.02 . 1 . . . A 4 C H1' . 19662 1 45 . 1 1 4 4 C H2' H 1 4.495 0.02 . 1 . . . A 4 C H2' . 19662 1 46 . 1 1 4 4 C H5 H 1 5.175 0.02 . 1 . . . A 4 C H5 . 19662 1 47 . 1 1 4 4 C H6 H 1 7.620 0.02 . 1 . . . A 4 C H6 . 19662 1 48 . 1 1 4 4 C H41 H 1 6.651 0.01 . 1 . . . A 4 C H41 . 19662 1 49 . 1 1 4 4 C H42 H 1 8.321 0.01 . 1 . . . A 4 C H42 . 19662 1 50 . 1 1 4 4 C C1' C 13 93.329 0.2 . 1 . . . A 4 C C1' . 19662 1 51 . 1 1 4 4 C C2' C 13 75.411 0.2 . 1 . . . A 4 C C2' . 19662 1 52 . 1 1 4 4 C C5 C 13 97.393 0.2 . 1 . . . A 4 C C5 . 19662 1 53 . 1 1 4 4 C C6 C 13 140.395 0.2 . 1 . . . A 4 C C6 . 19662 1 54 . 1 1 4 4 C N3 N 15 196.862 0.5 . 1 . . . A 4 C N3 . 19662 1 55 . 1 1 4 4 C N4 N 15 98.428 0.06 . 1 . . . A 4 C N4 . 19662 1 56 . 1 1 5 5 A H1' H 1 5.916 0.02 . 1 . . . A 5 A H1' . 19662 1 57 . 1 1 5 5 A H2 H 1 6.988 0.02 . 1 . . . A 5 A H2 . 19662 1 58 . 1 1 5 5 A H2' H 1 4.708 0.02 . 1 . . . A 5 A H2' . 19662 1 59 . 1 1 5 5 A H3' H 1 4.678 0.02 . 1 . . . A 5 A H3' . 19662 1 60 . 1 1 5 5 A H8 H 1 7.971 0.02 . 1 . . . A 5 A H8 . 19662 1 61 . 1 1 5 5 A C1' C 13 92.924 0.2 . 1 . . . A 5 A C1' . 19662 1 62 . 1 1 5 5 A C2 C 13 152.376 0.2 . 1 . . . A 5 A C2 . 19662 1 63 . 1 1 5 5 A C2' C 13 75.562 0.2 . 1 . . . A 5 A C2' . 19662 1 64 . 1 1 5 5 A C3' C 13 72.781 0.2 . 1 . . . A 5 A C3' . 19662 1 65 . 1 1 5 5 A C8 C 13 139.213 0.2 . 1 . . . A 5 A C8 . 19662 1 66 . 1 1 5 5 A N1 N 15 220.150 0.2 . 1 . . . A 5 A N1 . 19662 1 67 . 1 1 5 5 A N3 N 15 213.866 0.2 . 1 . . . A 5 A N3 . 19662 1 68 . 1 1 5 5 A N7 N 15 230.305 0.2 . 1 . . . A 5 A N7 . 19662 1 69 . 1 1 5 5 A N9 N 15 170.792 0.2 . 1 . . . A 5 A N9 . 19662 1 70 . 1 1 6 6 G H1 H 1 13.394 0.01 . 1 . . . A 6 G H1 . 19662 1 71 . 1 1 6 6 G H1' H 1 5.529 0.02 . 1 . . . A 6 G H1' . 19662 1 72 . 1 1 6 6 G H2' H 1 4.356 0.02 . 1 . . . A 6 G H2' . 19662 1 73 . 1 1 6 6 G H3' H 1 4.372 0.02 . 1 . . . A 6 G H3' . 19662 1 74 . 1 1 6 6 G H8 H 1 7.115 0.02 . 1 . . . A 6 G H8 . 19662 1 75 . 1 1 6 6 G C1' C 13 92.656 0.2 . 1 . . . A 6 G C1' . 19662 1 76 . 1 1 6 6 G C2' C 13 75.290 0.2 . 1 . . . A 6 G C2' . 19662 1 77 . 1 1 6 6 G C3' C 13 72.599 0.2 . 1 . . . A 6 G C3' . 19662 1 78 . 1 1 6 6 G C8 C 13 135.482 0.2 . 1 . . . A 6 G C8 . 19662 1 79 . 1 1 6 6 G N1 N 15 148.023 0.1 . 1 . . . A 6 G N1 . 19662 1 80 . 1 1 6 6 G N7 N 15 233.352 0.2 . 1 . . . A 6 G N7 . 19662 1 81 . 1 1 6 6 G N9 N 15 169.079 0.2 . 1 . . . A 6 G N9 . 19662 1 82 . 1 1 7 7 C H1' H 1 5.389 0.02 . 1 . . . A 7 C H1' . 19662 1 83 . 1 1 7 7 C H2' H 1 4.316 0.02 . 1 . . . A 7 C H2' . 19662 1 84 . 1 1 7 7 C H3' H 1 4.419 0.02 . 1 . . . A 7 C H3' . 19662 1 85 . 1 1 7 7 C H5 H 1 4.780 0.02 . 1 . . . A 7 C H5 . 19662 1 86 . 1 1 7 7 C H6 H 1 7.163 0.02 . 1 . . . A 7 C H6 . 19662 1 87 . 1 1 7 7 C H41 H 1 7.795 0.01 . 1 . . . A 7 C H41 . 19662 1 88 . 1 1 7 7 C H42 H 1 6.448 0.01 . 1 . . . A 7 C H42 . 19662 1 89 . 1 1 7 7 C C1' C 13 94.423 0.2 . 1 . . . A 7 C C1' . 19662 1 90 . 1 1 7 7 C C2' C 13 75.412 0.2 . 1 . . . A 7 C C2' . 19662 1 91 . 1 1 7 7 C C3' C 13 71.966 0.2 . 1 . . . A 7 C C3' . 19662 1 92 . 1 1 7 7 C C5 C 13 96.810 0.2 . 1 . . . A 7 C C5 . 19662 1 93 . 1 1 7 7 C C6 C 13 139.949 0.2 . 1 . . . A 7 C C6 . 19662 1 94 . 1 1 7 7 C N4 N 15 98.472 0.06 . 1 . . . A 7 C N4 . 19662 1 95 . 1 1 8 8 A H1' H 1 6.039 0.02 . 1 . . . A 8 A H1' . 19662 1 96 . 1 1 8 8 A H2 H 1 8.227 0.02 . 1 . . . A 8 A H2 . 19662 1 97 . 1 1 8 8 A H2' H 1 3.954 0.02 . 1 . . . A 8 A H2' . 19662 1 98 . 1 1 8 8 A H3' H 1 4.876 0.02 . 1 . . . A 8 A H3' . 19662 1 99 . 1 1 8 8 A H8 H 1 8.402 0.02 . 1 . . . A 8 A H8 . 19662 1 100 . 1 1 8 8 A C1' C 13 91.955 0.2 . 1 . . . A 8 A C1' . 19662 1 101 . 1 1 8 8 A C2 C 13 155.997 0.2 . 1 . . . A 8 A C2 . 19662 1 102 . 1 1 8 8 A C2' C 13 76.963 0.2 . 1 . . . A 8 A C2' . 19662 1 103 . 1 1 8 8 A C3' C 13 72.180 0.2 . 1 . . . A 8 A C3' . 19662 1 104 . 1 1 8 8 A C8 C 13 139.934 0.2 . 1 . . . A 8 A C8 . 19662 1 105 . 1 1 9 9 U H1' H 1 5.729 0.02 . 1 . . . A 9 U H1' . 19662 1 106 . 1 1 9 9 U H2' H 1 4.656 0.02 . 1 . . . A 9 U H2' . 19662 1 107 . 1 1 9 9 U H5 H 1 5.109 0.02 . 1 . . . A 9 U H5 . 19662 1 108 . 1 1 9 9 U H6 H 1 7.249 0.02 . 1 . . . A 9 U H6 . 19662 1 109 . 1 1 9 9 U C1' C 13 93.675 0.2 . 1 . . . A 9 U C1' . 19662 1 110 . 1 1 9 9 U C2' C 13 74.646 0.2 . 1 . . . A 9 U C2' . 19662 1 111 . 1 1 9 9 U C5 C 13 102.073 0.2 . 1 . . . A 9 U C5 . 19662 1 112 . 1 1 9 9 U C6 C 13 142.497 0.2 . 1 . . . A 9 U C6 . 19662 1 113 . 1 1 10 10 C H1' H 1 5.497 0.02 . 1 . . . A 10 C H1' . 19662 1 114 . 1 1 10 10 C H2' H 1 4.820 0.02 . 1 . . . A 10 C H2' . 19662 1 115 . 1 1 10 10 C H5 H 1 5.984 0.02 . 1 . . . A 10 C H5 . 19662 1 116 . 1 1 10 10 C H6 H 1 7.937 0.02 . 1 . . . A 10 C H6 . 19662 1 117 . 1 1 10 10 C H42 H 1 7.244 0.01 . 1 . . . A 10 C H42 . 19662 1 118 . 1 1 10 10 C C1' C 13 94.432 0.2 . 1 . . . A 10 C C1' . 19662 1 119 . 1 1 10 10 C C2' C 13 75.651 0.2 . 1 . . . A 10 C C2' . 19662 1 120 . 1 1 10 10 C C5 C 13 98.681 0.2 . 1 . . . A 10 C C5 . 19662 1 121 . 1 1 10 10 C C6 C 13 142.114 0.2 . 1 . . . A 10 C C6 . 19662 1 122 . 1 1 10 10 C N4 N 15 95.777 0.06 . 1 . . . A 10 C N4 . 19662 1 123 . 1 1 11 11 G H1 H 1 12.941 0.01 . 1 . . . A 11 G H1 . 19662 1 124 . 1 1 11 11 G H1' H 1 5.913 0.02 . 1 . . . A 11 G H1' . 19662 1 125 . 1 1 11 11 G H2' H 1 4.580 0.02 . 1 . . . A 11 G H2' . 19662 1 126 . 1 1 11 11 G H3' H 1 4.896 0.02 . 1 . . . A 11 G H3' . 19662 1 127 . 1 1 11 11 G H8 H 1 7.433 0.02 . 1 . . . A 11 G H8 . 19662 1 128 . 1 1 11 11 G C1' C 13 92.697 0.2 . 1 . . . A 11 G C1' . 19662 1 129 . 1 1 11 11 G C2' C 13 75.210 0.2 . 1 . . . A 11 G C2' . 19662 1 130 . 1 1 11 11 G C3' C 13 72.217 0.2 . 1 . . . A 11 G C3' . 19662 1 131 . 1 1 11 11 G C8 C 13 136.681 0.2 . 1 . . . A 11 G C8 . 19662 1 132 . 1 1 11 11 G N1 N 15 148.777 0.1 . 1 . . . A 11 G N1 . 19662 1 133 . 1 1 11 11 G N7 N 15 228.298 0.2 . 1 . . . A 11 G N7 . 19662 1 134 . 1 1 11 11 G N9 N 15 169.222 0.2 . 1 . . . A 11 G N9 . 19662 1 135 . 1 1 12 12 U H1' H 1 5.527 0.07 . 1 . . . A 12 U H1' . 19662 1 136 . 1 1 12 12 U H3 H 1 14.173 0.01 . 1 . . . A 12 U H3 . 19662 1 137 . 1 1 12 12 U H5 H 1 5.487 0.02 . 1 . . . A 12 U H5 . 19662 1 138 . 1 1 12 12 U H6 H 1 7.978 0.02 . 1 . . . A 12 U H6 . 19662 1 139 . 1 1 12 12 U C5 C 13 103.645 0.2 . 1 . . . A 12 U C5 . 19662 1 140 . 1 1 12 12 U C6 C 13 142.293 0.2 . 1 . . . A 12 U C6 . 19662 1 141 . 1 1 12 12 U N3 N 15 163.313 0.01 . 1 . . . A 12 U N3 . 19662 1 142 . 1 1 13 13 C H1' H 1 5.634 0.02 . 1 . . . A 13 C H1' . 19662 1 143 . 1 1 13 13 C H2' H 1 4.708 0.02 . 1 . . . A 13 C H2' . 19662 1 144 . 1 1 13 13 C H5 H 1 5.422 0.02 . 1 . . . A 13 C H5 . 19662 1 145 . 1 1 13 13 C H6 H 1 7.861 0.02 . 1 . . . A 13 C H6 . 19662 1 146 . 1 1 13 13 C H41 H 1 6.400 0.01 . 1 . . . A 13 C H41 . 19662 1 147 . 1 1 13 13 C H42 H 1 8.134 0.01 . 1 . . . A 13 C H42 . 19662 1 148 . 1 1 13 13 C C1' C 13 93.281 0.2 . 1 . . . A 13 C C1' . 19662 1 149 . 1 1 13 13 C C2' C 13 75.477 0.2 . 1 . . . A 13 C C2' . 19662 1 150 . 1 1 13 13 C C5 C 13 97.917 0.2 . 1 . . . A 13 C C5 . 19662 1 151 . 1 1 13 13 C C6 C 13 141.645 0.2 . 1 . . . A 13 C C6 . 19662 1 152 . 1 1 13 13 C N4 N 15 98.758 0.06 . 1 . . . A 13 C N4 . 19662 1 153 . 1 1 14 14 G H1' H 1 5.528 0.02 . 1 . . . A 14 G H1' . 19662 1 154 . 1 1 14 14 G H2' H 1 4.500 0.02 . 1 . . . A 14 G H2' . 19662 1 155 . 1 1 14 14 G H8 H 1 7.570 0.02 . 1 . . . A 14 G H8 . 19662 1 156 . 1 1 14 14 G C1' C 13 92.481 0.2 . 1 . . . A 14 G C1' . 19662 1 157 . 1 1 14 14 G C2' C 13 75.264 0.2 . 1 . . . A 14 G C2' . 19662 1 158 . 1 1 14 14 G C8 C 13 136.020 0.2 . 1 . . . A 14 G C8 . 19662 1 159 . 1 1 15 15 G H1' H 1 5.233 0.02 . 1 . . . A 15 G H1' . 19662 1 160 . 1 1 15 15 G H2' H 1 4.395 0.02 . 1 . . . A 15 G H2' . 19662 1 161 . 1 1 15 15 G H8 H 1 7.155 0.02 . 1 . . . A 15 G H8 . 19662 1 162 . 1 1 15 15 G C1' C 13 93.564 0.2 . 1 . . . A 15 G C1' . 19662 1 163 . 1 1 15 15 G C2' C 13 74.624 0.2 . 1 . . . A 15 G C2' . 19662 1 164 . 1 1 15 15 G C8 C 13 135.766 0.2 . 1 . . . A 15 G C8 . 19662 1 165 . 1 1 16 16 C H1' H 1 5.524 0.02 . 1 . . . A 16 C H1' . 19662 1 166 . 1 1 16 16 C H2' H 1 4.258 0.02 . 1 . . . A 16 C H2' . 19662 1 167 . 1 1 16 16 C H5 H 1 5.231 0.02 . 1 . . . A 16 C H5 . 19662 1 168 . 1 1 16 16 C H6 H 1 7.831 0.02 . 1 . . . A 16 C H6 . 19662 1 169 . 1 1 16 16 C H41 H 1 6.808 0.01 . 1 . . . A 16 C H41 . 19662 1 170 . 1 1 16 16 C H42 H 1 8.449 0.01 . 1 . . . A 16 C H42 . 19662 1 171 . 1 1 16 16 C C1' C 13 94.082 0.2 . 1 . . . A 16 C C1' . 19662 1 172 . 1 1 16 16 C C2' C 13 75.345 0.2 . 1 . . . A 16 C C2' . 19662 1 173 . 1 1 16 16 C C5 C 13 96.619 0.2 . 1 . . . A 16 C C5 . 19662 1 174 . 1 1 16 16 C C6 C 13 141.478 0.2 . 1 . . . A 16 C C6 . 19662 1 175 . 1 1 16 16 C N3 N 15 196.771 0.5 . 1 . . . A 16 C N3 . 19662 1 176 . 1 1 16 16 C N4 N 15 98.877 0.06 . 1 . . . A 16 C N4 . 19662 1 177 . 1 1 17 17 U H1' H 1 5.506 0.02 . 1 . . . A 17 U H1' . 19662 1 178 . 1 1 17 17 U H2' H 1 4.565 0.02 . 1 . . . A 17 U H2' . 19662 1 179 . 1 1 17 17 U H3 H 1 13.553 0.01 . 1 . . . A 17 U H3 . 19662 1 180 . 1 1 17 17 U H5 H 1 5.412 0.02 . 1 . . . A 17 U H5 . 19662 1 181 . 1 1 17 17 U H6 H 1 7.919 0.02 . 1 . . . A 17 U H6 . 19662 1 182 . 1 1 17 17 U C1' C 13 93.497 0.2 . 1 . . . A 17 U C1' . 19662 1 183 . 1 1 17 17 U C2' C 13 75.080 0.2 . 1 . . . A 17 U C2' . 19662 1 184 . 1 1 17 17 U C5 C 13 103.441 0.2 . 1 . . . A 17 U C5 . 19662 1 185 . 1 1 17 17 U N3 N 15 161.974 0.1 . 1 . . . A 17 U N3 . 19662 1 186 . 1 1 18 18 G H1 H 1 12.429 0.01 . 1 . . . A 18 G H1 . 19662 1 187 . 1 1 18 18 G H1' H 1 5.790 0.02 . 1 . . . A 18 G H1' . 19662 1 188 . 1 1 18 18 G H2' H 1 4.451 0.02 . 1 . . . A 18 G H2' . 19662 1 189 . 1 1 18 18 G H3' H 1 4.639 0.02 . 1 . . . A 18 G H3' . 19662 1 190 . 1 1 18 18 G H8 H 1 7.744 0.02 . 1 . . . A 18 G H8 . 19662 1 191 . 1 1 18 18 G C1' C 13 92.662 0.2 . 1 . . . A 18 G C1' . 19662 1 192 . 1 1 18 18 G C2' C 13 75.353 0.2 . 1 . . . A 18 G C2' . 19662 1 193 . 1 1 18 18 G C3' C 13 72.681 0.2 . 1 . . . A 18 G C3' . 19662 1 194 . 1 1 18 18 G C8 C 13 136.277 0.2 . 1 . . . A 18 G C8 . 19662 1 195 . 1 1 18 18 G N1 N 15 147.298 0.1 . 1 . . . A 18 G N1 . 19662 1 196 . 1 1 18 18 G N7 N 15 233.431 0.2 . 1 . . . A 18 G N7 . 19662 1 197 . 1 1 18 18 G N9 N 15 169.841 0.2 . 1 . . . A 18 G N9 . 19662 1 198 . 1 1 19 19 C H1' H 1 5.448 0.02 . 1 . . . A 19 C H1' . 19662 1 199 . 1 1 19 19 C H2' H 1 4.312 0.02 . 1 . . . A 19 C H2' . 19662 1 200 . 1 1 19 19 C H5 H 1 5.187 0.02 . 1 . . . A 19 C H5 . 19662 1 201 . 1 1 19 19 C H6 H 1 7.783 0.02 . 1 . . . A 19 C H6 . 19662 1 202 . 1 1 19 19 C H41 H 1 6.655 0.01 . 1 . . . A 19 C H41 . 19662 1 203 . 1 1 19 19 C H42 H 1 8.484 0.01 . 1 . . . A 19 C H42 . 19662 1 204 . 1 1 19 19 C C1' C 13 93.820 0.2 . 1 . . . A 19 C C1' . 19662 1 205 . 1 1 19 19 C C2' C 13 75.490 0.2 . 1 . . . A 19 C C2' . 19662 1 206 . 1 1 19 19 C C5 C 13 96.791 0.2 . 1 . . . A 19 C C5 . 19662 1 207 . 1 1 19 19 C C6 C 13 141.230 0.2 . 1 . . . A 19 C C6 . 19662 1 208 . 1 1 19 19 C N3 N 15 196.922 0.5 . 1 . . . A 19 C N3 . 19662 1 209 . 1 1 19 19 C N4 N 15 99.382 0.06 . 1 . . . A 19 C N4 . 19662 1 210 . 1 1 20 20 U H1' H 1 5.502 0.02 . 1 . . . A 20 U H1' . 19662 1 211 . 1 1 20 20 U H2' H 1 4.480 0.02 . 1 . . . A 20 U H2' . 19662 1 212 . 1 1 20 20 U H3 H 1 14.144 0.02 . 1 . . . A 20 U H3 . 19662 1 213 . 1 1 20 20 U H5 H 1 5.378 0.02 . 1 . . . A 20 U H5 . 19662 1 214 . 1 1 20 20 U H6 H 1 7.917 0.02 . 1 . . . A 20 U H6 . 19662 1 215 . 1 1 20 20 U C1' C 13 93.387 0.2 . 1 . . . A 20 U C1' . 19662 1 216 . 1 1 20 20 U C2' C 13 75.227 0.2 . 1 . . . A 20 U C2' . 19662 1 217 . 1 1 20 20 U C5 C 13 103.051 0.2 . 1 . . . A 20 U C5 . 19662 1 218 . 1 1 20 20 U C6 C 13 141.628 0.2 . 1 . . . A 20 U C6 . 19662 1 219 . 1 1 20 20 U N3 N 15 162.429 0.1 . 1 . . . A 20 U N3 . 19662 1 220 . 1 1 21 21 C H1' H 1 5.524 0.02 . 1 . . . A 21 C H1' . 19662 1 221 . 1 1 21 21 C H2' H 1 4.364 0.02 . 1 . . . A 21 C H2' . 19662 1 222 . 1 1 21 21 C H3' H 1 4.468 0.02 . 1 . . . A 21 C H3' . 19662 1 223 . 1 1 21 21 C H5 H 1 5.576 0.02 . 1 . . . A 21 C H5 . 19662 1 224 . 1 1 21 21 C H6 H 1 7.744 0.02 . 1 . . . A 21 C H6 . 19662 1 225 . 1 1 21 21 C H41 H 1 6.847 0.01 . 1 . . . A 21 C H41 . 19662 1 226 . 1 1 21 21 C H42 H 1 8.098 0.01 . 1 . . . A 21 C H42 . 19662 1 227 . 1 1 21 21 C C1' C 13 93.834 0.2 . 1 . . . A 21 C C1' . 19662 1 228 . 1 1 21 21 C C2' C 13 75.504 0.2 . 1 . . . A 21 C C2' . 19662 1 229 . 1 1 21 21 C C3' C 13 72.419 0.2 . 1 . . . A 21 C C3' . 19662 1 230 . 1 1 21 21 C C5 C 13 97.673 0.2 . 1 . . . A 21 C C5 . 19662 1 231 . 1 1 21 21 C C6 C 13 140.988 0.2 . 1 . . . A 21 C C6 . 19662 1 232 . 1 1 21 21 C N3 N 15 196.304 0.5 . 1 . . . A 21 C N3 . 19662 1 233 . 1 1 21 21 C N4 N 15 97.595 0.06 . 1 . . . A 21 C N4 . 19662 1 234 . 1 1 22 22 A H1' H 1 5.906 0.02 . 1 . . . A 22 A H1' . 19662 1 235 . 1 1 22 22 A H2 H 1 7.295 0.02 . 1 . . . A 22 A H2 . 19662 1 236 . 1 1 22 22 A H2' H 1 4.029 0.02 . 1 . . . A 22 A H2' . 19662 1 237 . 1 1 22 22 A H3' H 1 4.282 0.02 . 1 . . . A 22 A H3' . 19662 1 238 . 1 1 22 22 A H4' H 1 4.226 0.02 . 1 . . . A 22 A H4' . 19662 1 239 . 1 1 22 22 A H8 H 1 8.022 0.02 . 1 . . . A 22 A H8 . 19662 1 240 . 1 1 22 22 A C1' C 13 91.806 0.2 . 1 . . . A 22 A C1' . 19662 1 241 . 1 1 22 22 A C2 C 13 154.329 0.2 . 1 . . . A 22 A C2 . 19662 1 242 . 1 1 22 22 A C2' C 13 77.839 0.2 . 1 . . . A 22 A C2' . 19662 1 243 . 1 1 22 22 A C3' C 13 70.178 0.2 . 1 . . . A 22 A C3' . 19662 1 244 . 1 1 22 22 A C4' C 13 83.908 0.2 . 1 . . . A 22 A C4' . 19662 1 245 . 1 1 22 22 A C8 C 13 140.086 0.2 . 1 . . . A 22 A C8 . 19662 1 246 . 1 1 22 22 A N1 N 15 225.354 0.2 . 1 . . . A 22 A N1 . 19662 1 247 . 1 1 22 22 A N3 N 15 215.577 0.2 . 1 . . . A 22 A N3 . 19662 1 248 . 1 1 22 22 A N7 N 15 230.811 0.2 . 1 . . . A 22 A N7 . 19662 1 249 . 1 1 22 22 A N9 N 15 171.166 0.2 . 1 . . . A 22 A N9 . 19662 1 250 . 2 2 1 1 G H1' H 1 5.605 0.01 . 1 . . . . 101 G H1' . 19662 1 251 . 2 2 1 1 G H2' H 1 4.476 0.01 . 1 . . . . 101 G H2' . 19662 1 252 . 2 2 1 1 G H4' H 1 4.182 0.01 . 1 . . . . 101 G H4' . 19662 1 253 . 2 2 1 1 G H8 H 1 7.897 0.01 . 1 . . . . 101 G H8 . 19662 1 254 . 2 2 1 1 G C1' C 13 93.188 0.2 . 1 . . . . 101 G C1' . 19662 1 255 . 2 2 1 1 G C2' C 13 73.525 0.2 . 1 . . . . 101 G C2' . 19662 1 256 . 2 2 1 1 G C4' C 13 84.385 0.2 . 1 . . . . 101 G C4' . 19662 1 257 . 2 2 1 1 G C8 C 13 138.611 0.2 . 1 . . . . 101 G C8 . 19662 1 258 . 2 2 2 2 C H1' H 1 5.617 0.01 . 1 . . . . 102 C H1' . 19662 1 259 . 2 2 2 2 C H2' H 1 4.629 0.01 . 1 . . . . 102 C H2' . 19662 1 260 . 2 2 2 2 C H5 H 1 5.185 0.01 . 1 . . . . 102 C H5 . 19662 1 261 . 2 2 2 2 C H6 H 1 7.882 0.01 . 1 . . . . 102 C H6 . 19662 1 262 . 2 2 2 2 C H41 H 1 6.531 0.01 . 1 . . . . 102 C H41 . 19662 1 263 . 2 2 2 2 C H42 H 1 8.494 0.01 . 1 . . . . 102 C H42 . 19662 1 264 . 2 2 2 2 C C1' C 13 93.722 0.2 . 1 . . . . 102 C C1' . 19662 1 265 . 2 2 2 2 C C2' C 13 75.070 0.2 . 1 . . . . 102 C C2' . 19662 1 266 . 2 2 2 2 C C5 C 13 97.131 0.2 . 1 . . . . 102 C C5 . 19662 1 267 . 2 2 2 2 C C6 C 13 141.283 0.2 . 1 . . . . 102 C C6 . 19662 1 268 . 2 2 2 2 C N3 N 15 197.033 0.5 . 1 . . . . 102 C N3 . 19662 1 269 . 2 2 2 2 C N4 N 15 97.922 0.06 . 1 . . . . 102 C N4 . 19662 1 270 . 2 2 3 3 G H1 H 1 12.486 0.01 . 1 . . . . 103 G H1 . 19662 1 271 . 2 2 3 3 G H1' H 1 5.806 0.01 . 1 . . . . 103 G H1' . 19662 1 272 . 2 2 3 3 G H2' H 1 4.559 0.01 . 1 . . . . 103 G H2' . 19662 1 273 . 2 2 3 3 G H3' H 1 4.624 0.01 . 1 . . . . 103 G H3' . 19662 1 274 . 2 2 3 3 G H8 H 1 7.598 0.01 . 1 . . . . 103 G H8 . 19662 1 275 . 2 2 3 3 G C1' C 13 92.376 0.2 . 1 . . . . 103 G C1' . 19662 1 276 . 2 2 3 3 G C2' C 13 75.794 0.2 . 1 . . . . 103 G C2' . 19662 1 277 . 2 2 3 3 G C3' C 13 73.048 0.2 . 1 . . . . 103 G C3' . 19662 1 278 . 2 2 3 3 G C8 C 13 136.138 0.2 . 1 . . . . 103 G C8 . 19662 1 279 . 2 2 3 3 G N1 N 15 147.294 0.1 . 1 . . . . 103 G N1 . 19662 1 280 . 2 2 4 4 G H1 H 1 11.246 0.01 . 1 . . . . 104 G H1 . 19662 1 281 . 2 2 4 4 G H1' H 1 5.766 0.01 . 1 . . . . 104 G H1' . 19662 1 282 . 2 2 4 4 G H2' H 1 4.603 0.01 . 1 . . . . 104 G H2' . 19662 1 283 . 2 2 4 4 G H3' H 1 4.365 0.01 . 1 . . . . 104 G H3' . 19662 1 284 . 2 2 4 4 G H8 H 1 7.210 0.01 . 1 . . . . 104 G H8 . 19662 1 285 . 2 2 4 4 G C1' C 13 93.274 0.2 . 1 . . . . 104 G C1' . 19662 1 286 . 2 2 4 4 G C2' C 13 75.413 0.2 . 1 . . . . 104 G C2' . 19662 1 287 . 2 2 4 4 G C3' C 13 72.849 0.2 . 1 . . . . 104 G C3' . 19662 1 288 . 2 2 4 4 G C8 C 13 136.609 0.2 . 1 . . . . 104 G C8 . 19662 1 289 . 2 2 4 4 G N1 N 15 145.001 0.1 . 1 . . . . 104 G N1 . 19662 1 290 . 2 2 5 5 C H1' H 1 5.462 0.01 . 1 . . . . 105 C H1' . 19662 1 291 . 2 2 5 5 C H2' H 1 4.465 0.01 . 1 . . . . 105 C H2' . 19662 1 292 . 2 2 5 5 C H5 H 1 5.328 0.01 . 1 . . . . 105 C H5 . 19662 1 293 . 2 2 5 5 C H6 H 1 7.652 0.01 . 1 . . . . 105 C H6 . 19662 1 294 . 2 2 5 5 C H41 H 1 6.736 0.01 . 1 . . . . 105 C H41 . 19662 1 295 . 2 2 5 5 C H42 H 1 8.213 0.01 . 1 . . . . 105 C H42 . 19662 1 296 . 2 2 5 5 C C1' C 13 93.599 0.2 . 1 . . . . 105 C C1' . 19662 1 297 . 2 2 5 5 C C2' C 13 75.280 0.2 . 1 . . . . 105 C C2' . 19662 1 298 . 2 2 5 5 C C5 C 13 97.590 0.2 . 1 . . . . 105 C C5 . 19662 1 299 . 2 2 5 5 C C6 C 13 140.185 0.2 . 1 . . . . 105 C C6 . 19662 1 300 . 2 2 5 5 C N3 N 15 196.498 0.5 . 1 . . . . 105 C N3 . 19662 1 301 . 2 2 5 5 C N4 N 15 98.924 0.06 . 1 . . . . 105 C N4 . 19662 1 302 . 2 2 6 6 A H1' H 1 5.947 0.01 . 1 . . . . 106 A H1' . 19662 1 303 . 2 2 6 6 A H2 H 1 7.057 0.01 . 1 . . . . 106 A H2 . 19662 1 304 . 2 2 6 6 A H2' H 1 4.750 0.01 . 1 . . . . 106 A H2' . 19662 1 305 . 2 2 6 6 A H8 H 1 7.977 0.01 . 1 . . . . 106 A H8 . 19662 1 306 . 2 2 6 6 A C1' C 13 92.742 0.2 . 1 . . . . 106 A C1' . 19662 1 307 . 2 2 6 6 A C2 C 13 152.607 0.2 . 1 . . . . 106 A C2 . 19662 1 308 . 2 2 6 6 A C2' C 13 75.557 0.2 . 1 . . . . 106 A C2' . 19662 1 309 . 2 2 6 6 A C8 C 13 139.296 0.2 . 1 . . . . 106 A C8 . 19662 1 310 . 2 2 6 6 A N1 N 15 219.701 0.2 . 1 . . . . 106 A N1 . 19662 1 311 . 2 2 6 6 A N3 N 15 214.366 0.2 . 1 . . . . 106 A N3 . 19662 1 312 . 2 2 7 7 G H1 H 1 13.822 0.01 . 1 . . . . 107 G H1 . 19662 1 313 . 2 2 7 7 G H1' H 1 5.562 0.01 . 1 . . . . 107 G H1' . 19662 1 314 . 2 2 7 7 G H2' H 1 4.395 0.01 . 1 . . . . 107 G H2' . 19662 1 315 . 2 2 7 7 G H8 H 1 7.164 0.01 . 1 . . . . 107 G H8 . 19662 1 316 . 2 2 7 7 G C1' C 13 92.534 0.2 . 1 . . . . 107 G C1' . 19662 1 317 . 2 2 7 7 G C2' C 13 75.186 0.2 . 1 . . . . 107 G C2' . 19662 1 318 . 2 2 7 7 G C8 C 13 135.606 0.2 . 1 . . . . 107 G C8 . 19662 1 319 . 2 2 7 7 G N1 N 15 148.332 0.1 . 1 . . . . 107 G N1 . 19662 1 320 . 2 2 8 8 U H1' H 1 5.572 0.01 . 1 . . . . 108 U H1' . 19662 1 321 . 2 2 8 8 U H2' H 1 4.114 0.01 . 1 . . . . 108 U H2' . 19662 1 322 . 2 2 8 8 U H3' H 1 4.363 0.01 . 1 . . . . 108 U H3' . 19662 1 323 . 2 2 8 8 U H4' H 1 4.351 0.01 . 1 . . . . 108 U H4' . 19662 1 324 . 2 2 8 8 U H5 H 1 4.819 0.01 . 1 . . . . 108 U H5 . 19662 1 325 . 2 2 8 8 U H6 H 1 7.600 0.01 . 1 . . . . 108 U H6 . 19662 1 326 . 2 2 8 8 U C1' C 13 93.795 0.2 . 1 . . . . 108 U C1' . 19662 1 327 . 2 2 8 8 U C2' C 13 76.554 0.2 . 1 . . . . 108 U C2' . 19662 1 328 . 2 2 8 8 U C3' C 13 72.351 0.2 . 1 . . . . 108 U C3' . 19662 1 329 . 2 2 8 8 U C4' C 13 82.786 0.2 . 1 . . . . 108 U C4' . 19662 1 330 . 2 2 8 8 U C5 C 13 101.811 0.4 . 1 . . . . 108 U C5 . 19662 1 331 . 2 2 8 8 U C6 C 13 141.420 0.2 . 1 . . . . 108 U C6 . 19662 1 332 . 2 2 9 9 U H1' H 1 5.509 0.01 . 1 . . . . 109 U H1' . 19662 1 333 . 2 2 9 9 U H2' H 1 4.687 0.01 . 1 . . . . 109 U H2' . 19662 1 334 . 2 2 9 9 U H5 H 1 5.950 0.01 . 1 . . . . 109 U H5 . 19662 1 335 . 2 2 9 9 U H6 H 1 8.015 0.01 . 1 . . . . 109 U H6 . 19662 1 336 . 2 2 9 9 U C1' C 13 93.924 0.2 . 1 . . . . 109 U C1' . 19662 1 337 . 2 2 9 9 U C2' C 13 74.839 0.2 . 1 . . . . 109 U C2' . 19662 1 338 . 2 2 9 9 U C5 C 13 103.725 0.2 . 1 . . . . 109 U C5 . 19662 1 339 . 2 2 9 9 U C6 C 13 143.231 0.2 . 1 . . . . 109 U C6 . 19662 1 340 . 2 2 10 10 G H1 H 1 12.229 0.01 . 1 . . . . 110 G H1 . 19662 1 341 . 2 2 10 10 G H1' H 1 5.763 0.01 . 1 . . . . 110 G H1' . 19662 1 342 . 2 2 10 10 G H2' H 1 4.991 0.01 . 1 . . . . 110 G H2' . 19662 1 343 . 2 2 10 10 G H3' H 1 4.754 0.01 . 1 . . . . 110 G H3' . 19662 1 344 . 2 2 10 10 G H4' H 1 4.497 0.01 . 1 . . . . 110 G H4' . 19662 1 345 . 2 2 10 10 G H8 H 1 8.059 0.01 . 1 . . . . 110 G H8 . 19662 1 346 . 2 2 10 10 G C1' C 13 94.255 0.2 . 1 . . . . 110 G C1' . 19662 1 347 . 2 2 10 10 G C2' C 13 75.058 0.2 . 1 . . . . 110 G C2' . 19662 1 348 . 2 2 10 10 G C3' C 13 72.078 0.2 . 1 . . . . 110 G C3' . 19662 1 349 . 2 2 10 10 G C4' C 13 83.565 0.2 . 1 . . . . 110 G C4' . 19662 1 350 . 2 2 10 10 G C8 C 13 139.882 0.2 . 1 . . . . 110 G C8 . 19662 1 351 . 2 2 10 10 G N1 N 15 146.500 0.1 . 1 . . . . 110 G N1 . 19662 1 352 . 2 2 11 11 A H1' H 1 6.030 0.01 . 1 . . . . 111 A H1' . 19662 1 353 . 2 2 11 11 A H2 H 1 7.730 0.01 . 1 . . . . 111 A H2 . 19662 1 354 . 2 2 11 11 A H2' H 1 4.613 0.01 . 1 . . . . 111 A H2' . 19662 1 355 . 2 2 11 11 A H3' H 1 4.935 0.01 . 1 . . . . 111 A H3' . 19662 1 356 . 2 2 11 11 A H4' H 1 4.462 0.01 . 1 . . . . 111 A H4' . 19662 1 357 . 2 2 11 11 A H8 H 1 7.578 0.01 . 1 . . . . 111 A H8 . 19662 1 358 . 2 2 11 11 A C1' C 13 93.239 0.2 . 1 . . . . 111 A C1' . 19662 1 359 . 2 2 11 11 A C2 C 13 153.437 0.2 . 1 . . . . 111 A C2 . 19662 1 360 . 2 2 11 11 A C2' C 13 75.801 0.2 . 1 . . . . 111 A C2' . 19662 1 361 . 2 2 11 11 A C3' C 13 71.907 0.2 . 1 . . . . 111 A C3' . 19662 1 362 . 2 2 11 11 A C4' C 13 82.407 0.2 . 1 . . . . 111 A C4' . 19662 1 363 . 2 2 11 11 A C8 C 13 140.669 0.2 . 1 . . . . 111 A C8 . 19662 1 364 . 2 2 11 11 A N1 N 15 223.773 0.2 . 1 . . . . 111 A N1 . 19662 1 365 . 2 2 11 11 A N3 N 15 212.377 0.2 . 1 . . . . 111 A N3 . 19662 1 366 . 2 2 11 11 A N7 N 15 221.528 0.2 . 1 . . . . 111 A N7 . 19662 1 367 . 2 2 12 12 C H1' H 1 5.254 0.01 . 1 . . . . 112 C H1' . 19662 1 368 . 2 2 12 12 C H2' H 1 4.456 0.01 . 1 . . . . 112 C H2' . 19662 1 369 . 2 2 12 12 C H3' H 1 4.599 0.01 . 1 . . . . 112 C H3' . 19662 1 370 . 2 2 12 12 C H4' H 1 4.403 0.01 . 1 . . . . 112 C H4' . 19662 1 371 . 2 2 12 12 C H5 H 1 4.901 0.01 . 1 . . . . 112 C H5 . 19662 1 372 . 2 2 12 12 C H6 H 1 6.951 0.01 . 1 . . . . 112 C H6 . 19662 1 373 . 2 2 12 12 C H41 H 1 6.354 0.01 . 1 . . . . 112 C H41 . 19662 1 374 . 2 2 12 12 C H42 H 1 8.206 0.01 . 1 . . . . 112 C H42 . 19662 1 375 . 2 2 12 12 C C1' C 13 94.758 0.2 . 1 . . . . 112 C C1' . 19662 1 376 . 2 2 12 12 C C2' C 13 75.550 0.2 . 1 . . . . 112 C C2' . 19662 1 377 . 2 2 12 12 C C3' C 13 74.265 0.2 . 1 . . . . 112 C C3' . 19662 1 378 . 2 2 12 12 C C4' C 13 82.016 0.2 . 1 . . . . 112 C C4' . 19662 1 379 . 2 2 12 12 C C5 C 13 98.355 0.2 . 1 . . . . 112 C C5 . 19662 1 380 . 2 2 12 12 C C6 C 13 140.278 0.2 . 1 . . . . 112 C C6 . 19662 1 381 . 2 2 12 12 C N4 N 15 97.264 0.06 . 1 . . . . 112 C N4 . 19662 1 382 . 2 2 13 13 U H1' H 1 6.265 0.01 . 1 . . . . 113 U H1' . 19662 1 383 . 2 2 13 13 U H2' H 1 4.771 0.01 . 1 . . . . 113 U H2' . 19662 1 384 . 2 2 13 13 U H3' H 1 5.180 0.01 . 1 . . . . 113 U H3' . 19662 1 385 . 2 2 13 13 U H4' H 1 4.612 0.01 . 1 . . . . 113 U H4' . 19662 1 386 . 2 2 13 13 U H5 H 1 6.021 0.01 . 1 . . . . 113 U H5 . 19662 1 387 . 2 2 13 13 U H5' H 1 4.235 0.01 . 2 . . . . 113 U H5' . 19662 1 388 . 2 2 13 13 U H5'' H 1 4.344 0.01 . 2 . . . . 113 U H5'' . 19662 1 389 . 2 2 13 13 U H6 H 1 8.067 0.01 . 1 . . . . 113 U H6 . 19662 1 390 . 2 2 13 13 U C1' C 13 89.171 0.2 . 1 . . . . 113 U C1' . 19662 1 391 . 2 2 13 13 U C2' C 13 75.192 0.2 . 1 . . . . 113 U C2' . 19662 1 392 . 2 2 13 13 U C3' C 13 78.566 0.2 . 1 . . . . 113 U C3' . 19662 1 393 . 2 2 13 13 U C4' C 13 87.048 0.2 . 1 . . . . 113 U C4' . 19662 1 394 . 2 2 13 13 U C5 C 13 105.576 0.2 . 1 . . . . 113 U C5 . 19662 1 395 . 2 2 13 13 U C5' C 13 67.834 0.2 . 1 . . . . 113 U C5' . 19662 1 396 . 2 2 13 13 U C6 C 13 144.815 0.2 . 1 . . . . 113 U C6 . 19662 1 397 . 2 2 14 14 A H1' H 1 5.409 0.01 . 1 . . . . 114 A H1' . 19662 1 398 . 2 2 14 14 A H2 H 1 7.621 0.01 . 1 . . . . 114 A H2 . 19662 1 399 . 2 2 14 14 A H2' H 1 4.929 0.01 . 1 . . . . 114 A H2' . 19662 1 400 . 2 2 14 14 A H4' H 1 4.601 0.01 . 1 . . . . 114 A H4' . 19662 1 401 . 2 2 14 14 A H8 H 1 8.368 0.01 . 1 . . . . 114 A H8 . 19662 1 402 . 2 2 14 14 A C1' C 13 95.324 0.2 . 1 . . . . 114 A C1' . 19662 1 403 . 2 2 14 14 A C2 C 13 153.508 0.2 . 1 . . . . 114 A C2 . 19662 1 404 . 2 2 14 14 A C2' C 13 73.265 0.2 . 1 . . . . 114 A C2' . 19662 1 405 . 2 2 14 14 A C4' C 13 84.396 0.2 . 1 . . . . 114 A C4' . 19662 1 406 . 2 2 14 14 A C8 C 13 142.060 0.2 . 1 . . . . 114 A C8 . 19662 1 407 . 2 2 14 14 A N1 N 15 225.734 0.2 . 1 . . . . 114 A N1 . 19662 1 408 . 2 2 14 14 A N3 N 15 217.878 0.2 . 1 . . . . 114 A N3 . 19662 1 409 . 2 2 14 14 A N7 N 15 233.530 0.2 . 1 . . . . 114 A N7 . 19662 1 410 . 2 2 15 15 C H1' H 1 5.284 0.01 . 1 . . . . 115 C H1' . 19662 1 411 . 2 2 15 15 C H2' H 1 4.109 0.01 . 1 . . . . 115 C H2' . 19662 1 412 . 2 2 15 15 C H3' H 1 4.440 0.01 . 1 . . . . 115 C H3' . 19662 1 413 . 2 2 15 15 C H4' H 1 3.805 0.01 . 1 . . . . 115 C H4' . 19662 1 414 . 2 2 15 15 C H5 H 1 5.188 0.01 . 1 . . . . 115 C H5 . 19662 1 415 . 2 2 15 15 C H6 H 1 7.782 0.01 . 1 . . . . 115 C H6 . 19662 1 416 . 2 2 15 15 C H41 H 1 6.941 0.01 . 1 . . . . 115 C H41 . 19662 1 417 . 2 2 15 15 C H42 H 1 8.129 0.01 . 1 . . . . 115 C H42 . 19662 1 418 . 2 2 15 15 C C1' C 13 94.277 0.2 . 1 . . . . 115 C C1' . 19662 1 419 . 2 2 15 15 C C2' C 13 75.219 0.2 . 1 . . . . 115 C C2' . 19662 1 420 . 2 2 15 15 C C3' C 13 72.026 0.2 . 1 . . . . 115 C C3' . 19662 1 421 . 2 2 15 15 C C4' C 13 81.604 0.2 . 1 . . . . 115 C C4' . 19662 1 422 . 2 2 15 15 C C5 C 13 96.813 0.2 . 1 . . . . 115 C C5 . 19662 1 423 . 2 2 15 15 C C6 C 13 141.691 0.2 . 1 . . . . 115 C C6 . 19662 1 424 . 2 2 15 15 C N3 N 15 197.247 0.5 . 1 . . . . 115 C N3 . 19662 1 425 . 2 2 15 15 C N4 N 15 98.021 0.06 . 1 . . . . 115 C N4 . 19662 1 426 . 2 2 16 16 U H1' H 1 5.523 0.01 . 1 . . . . 116 U H1' . 19662 1 427 . 2 2 16 16 U H2' H 1 4.631 0.01 . 1 . . . . 116 U H2' . 19662 1 428 . 2 2 16 16 U H3 H 1 13.356 0.01 . 1 . . . . 116 U H3 . 19662 1 429 . 2 2 16 16 U H5 H 1 5.374 0.01 . 1 . . . . 116 U H5 . 19662 1 430 . 2 2 16 16 U H6 H 1 7.865 0.01 . 1 . . . . 116 U H6 . 19662 1 431 . 2 2 16 16 U C1' C 13 93.240 0.2 . 1 . . . . 116 U C1' . 19662 1 432 . 2 2 16 16 U C2' C 13 74.973 0.2 . 1 . . . . 116 U C2' . 19662 1 433 . 2 2 16 16 U C5 C 13 103.213 0.2 . 1 . . . . 116 U C5 . 19662 1 434 . 2 2 16 16 U C6 C 13 141.615 0.2 . 1 . . . . 116 U C6 . 19662 1 435 . 2 2 16 16 U N3 N 15 161.490 0.1 . 1 . . . . 116 U N3 . 19662 1 436 . 2 2 17 17 G H1 H 1 12.522 0.01 . 1 . . . . 117 G H1 . 19662 1 437 . 2 2 17 17 G H1' H 1 5.809 0.01 . 1 . . . . 117 G H1' . 19662 1 438 . 2 2 17 17 G H2' H 1 4.632 0.01 . 1 . . . . 117 G H2' . 19662 1 439 . 2 2 17 17 G H8 H 1 7.608 0.01 . 1 . . . . 117 G H8 . 19662 1 440 . 2 2 17 17 G C1' C 13 92.894 0.2 . 1 . . . . 117 G C1' . 19662 1 441 . 2 2 17 17 G C2' C 13 75.268 0.2 . 1 . . . . 117 G C2' . 19662 1 442 . 2 2 17 17 G C8 C 13 136.205 0.2 . 1 . . . . 117 G C8 . 19662 1 443 . 2 2 17 17 G N1 N 15 147.211 0.1 . 1 . . . . 117 G N1 . 19662 1 444 . 2 2 18 18 U H1' H 1 5.422 0.01 . 1 . . . . 118 U H1' . 19662 1 445 . 2 2 18 18 U H2' H 1 4.082 0.01 . 1 . . . . 118 U H2' . 19662 1 446 . 2 2 18 18 U H3 H 1 11.954 0.01 . 1 . . . . 118 U H3 . 19662 1 447 . 2 2 18 18 U H5 H 1 5.468 0.01 . 1 . . . . 118 U H5 . 19662 1 448 . 2 2 18 18 U H6 H 1 7.809 0.01 . 1 . . . . 118 U H6 . 19662 1 449 . 2 2 18 18 U C1' C 13 93.624 0.2 . 1 . . . . 118 U C1' . 19662 1 450 . 2 2 18 18 U C2' C 13 75.635 0.2 . 1 . . . . 118 U C2' . 19662 1 451 . 2 2 18 18 U C5 C 13 103.802 0.2 . 1 . . . . 118 U C5 . 19662 1 452 . 2 2 18 18 U C6 C 13 140.847 0.2 . 1 . . . . 118 U C6 . 19662 1 453 . 2 2 18 18 U N3 N 15 158.869 0.1 . 1 . . . . 118 U N3 . 19662 1 454 . 2 2 19 19 C H1' H 1 5.594 0.01 . 1 . . . . 119 C H1' . 19662 1 455 . 2 2 19 19 C H5 H 1 5.611 0.01 . 1 . . . . 119 C H5 . 19662 1 456 . 2 2 19 19 C H6 H 1 7.959 0.01 . 1 . . . . 119 C H6 . 19662 1 457 . 2 2 19 19 C H41 H 1 6.576 0.01 . 1 . . . . 119 C H41 . 19662 1 458 . 2 2 19 19 C H42 H 1 8.390 0.01 . 1 . . . . 119 C H42 . 19662 1 459 . 2 2 19 19 C C1' C 13 93.389 0.2 . 1 . . . . 119 C C1' . 19662 1 460 . 2 2 19 19 C C5 C 13 97.789 0.2 . 1 . . . . 119 C C5 . 19662 1 461 . 2 2 19 19 C C6 C 13 142.013 0.2 . 1 . . . . 119 C C6 . 19662 1 462 . 2 2 19 19 C N3 N 15 196.232 0.5 . 1 . . . . 119 C N3 . 19662 1 463 . 2 2 19 19 C N4 N 15 98.315 0.06 . 1 . . . . 119 C N4 . 19662 1 464 . 2 2 20 20 G H1 H 1 13.007 0.01 . 1 . . . . 120 G H1 . 19662 1 465 . 2 2 20 20 G H1' H 1 5.688 0.01 . 1 . . . . 120 G H1' . 19662 1 466 . 2 2 20 20 G H2' H 1 4.470 0.01 . 1 . . . . 120 G H2' . 19662 1 467 . 2 2 20 20 G H8 H 1 7.574 0.01 . 1 . . . . 120 G H8 . 19662 1 468 . 2 2 20 20 G C1' C 13 93.173 0.2 . 1 . . . . 120 G C1' . 19662 1 469 . 2 2 20 20 G C2' C 13 75.383 0.2 . 1 . . . . 120 G C2' . 19662 1 470 . 2 2 20 20 G C8 C 13 136.032 0.2 . 1 . . . . 120 G C8 . 19662 1 471 . 2 2 20 20 G N1 N 15 147.614 0.1 . 1 . . . . 120 G N1 . 19662 1 472 . 2 2 21 21 C H1' H 1 5.663 0.01 . 1 . . . . 121 C H1' . 19662 1 473 . 2 2 21 21 C H2' H 1 4.028 0.01 . 1 . . . . 121 C H2' . 19662 1 474 . 2 2 21 21 C H3' H 1 4.107 0.01 . 1 . . . . 121 C H3' . 19662 1 475 . 2 2 21 21 C H5 H 1 5.261 0.01 . 1 . . . . 121 C H5 . 19662 1 476 . 2 2 21 21 C H6 H 1 7.525 0.01 . 1 . . . . 121 C H6 . 19662 1 477 . 2 2 21 21 C H41 H 1 6.722 0.01 . 1 . . . . 121 C H41 . 19662 1 478 . 2 2 21 21 C H42 H 1 8.160 0.01 . 1 . . . . 121 C H42 . 19662 1 479 . 2 2 21 21 C C1' C 13 93.036 0.2 . 1 . . . . 121 C C1' . 19662 1 480 . 2 2 21 21 C C2' C 13 77.384 0.2 . 1 . . . . 121 C C2' . 19662 1 481 . 2 2 21 21 C C3' C 13 69.341 0.2 . 1 . . . . 121 C C3' . 19662 1 482 . 2 2 21 21 C C5 C 13 97.400 0.2 . 1 . . . . 121 C C5 . 19662 1 483 . 2 2 21 21 C C6 C 13 141.057 0.2 . 1 . . . . 121 C C6 . 19662 1 484 . 2 2 21 21 C N4 N 15 97.539 0.06 . 1 . . . . 121 C N4 . 19662 1 stop_ save_