data_17292 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17292 _Entry.Title ; NMR structure of the A730 loop of the Neurospora VS ribozyme ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-11 _Entry.Accession_date 2010-11-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Genevieve Desjardins . . . 17292 2 Eric Bonneau . . . 17292 3 Nicolas Girard . . . 17292 4 Jerome Boisbouvier . . . 17292 5 Pascale Legault . . . 17292 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 . 'not applicable' 'not applicable' . 17292 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'internal loop' . 17292 RNA . 17292 'VS ribozyme' . 17292 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17292 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 173 17292 '15N chemical shifts' 91 17292 '1H chemical shifts' 232 17292 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 . . 2011-06-01 2010-11-11 update BMRB 'update entry citation' 17292 1 . . 2011-01-27 2010-11-11 original author 'original release' 17292 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L5Z 'BMRB Entry Tracking System' 17292 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17292 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21266483 _Citation.Full_citation . _Citation.Title 'NMR structure of the A730 loop of the Neurospora VS ribozyme: insights into the formation of the active site.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res.' _Citation.Journal_name_full 'Nucleic acids research' _Citation.Journal_volume 39 _Citation.Journal_issue 10 _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 4427 _Citation.Page_last 4437 _Citation.Year 2011 _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 Genevieve Desjardins . . . 17292 1 2 Eric Bonneau . . . 17292 1 3 Nicolas Girard . . . 17292 1 4 Jerome Boisbouvier . . . 17292 1 5 Pascale Legault . . . 17292 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17292 _Assembly.ID 1 _Assembly.Name 26-MER _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 (26-MER)' 1 $VS_ribozyme_SVI_RNA_(26-MER) A . yes native no no . . . 17292 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_VS_ribozyme_SVI_RNA_(26-MER) _Entity.Sf_category entity _Entity.Sf_framecode VS_ribozyme_SVI_RNA_(26-MER) _Entity.Entry_ID 17292 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name VS_ribozyme_SVI_RNA_(26-MER) _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 ; GAGCUGCAGCACGAAAGUGA CGGCUC ; _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 26 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment 'A730 loop domain of the VS ribozyme' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8421.162 _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 . 17292 1 2 . A . 17292 1 3 . G . 17292 1 4 . C . 17292 1 5 . U . 17292 1 6 . G . 17292 1 7 . C . 17292 1 8 . A . 17292 1 9 . G . 17292 1 10 . C . 17292 1 11 . A . 17292 1 12 . C . 17292 1 13 . G . 17292 1 14 . A . 17292 1 15 . A . 17292 1 16 . A . 17292 1 17 . G . 17292 1 18 . U . 17292 1 19 . G . 17292 1 20 . A . 17292 1 21 . C . 17292 1 22 . G . 17292 1 23 . G . 17292 1 24 . C . 17292 1 25 . U . 17292 1 26 . C . 17292 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 17292 1 . A 2 2 17292 1 . G 3 3 17292 1 . C 4 4 17292 1 . U 5 5 17292 1 . G 6 6 17292 1 . C 7 7 17292 1 . A 8 8 17292 1 . G 9 9 17292 1 . C 10 10 17292 1 . A 11 11 17292 1 . C 12 12 17292 1 . G 13 13 17292 1 . A 14 14 17292 1 . A 15 15 17292 1 . A 16 16 17292 1 . G 17 17 17292 1 . U 18 18 17292 1 . G 19 19 17292 1 . A 20 20 17292 1 . C 21 21 17292 1 . G 22 22 17292 1 . G 23 23 17292 1 . C 24 24 17292 1 . U 25 25 17292 1 . C 26 26 17292 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 17292 _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 $VS_ribozyme_SVI_RNA_(26-MER) . 5140 organism . Neurospora Neurospora . . Eukaryota Fungi Neurospora . 'Varkud strain' . . . . . . . . . . . . . . . . . 'from mitochondria of the Varkud strain of Neurospora' . . 17292 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 17292 _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 $VS_ribozyme_SVI_RNA_(26-MER) . 'enzymatic synthesis' . . . . . . . . . . . . . . . . . . . 'single-stranded template for T7 RNA polymerase' . . . . . . 'transcription with T7 RNA polymerase from a small DNA template' . . 17292 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17292 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium cacodylate, pH 6.5, 50 mM KCl, 0.05 mM NaN3 and 5 mM MgCl2' _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 'VS ribozyme SVI RNA (26-MER)' 'natural abundance' . . 1 $VS_ribozyme_SVI_RNA_(26-MER) . . . 0.4 1.8 mM 0.1 . . . 17292 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17292 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17292 1 4 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 17292 1 5 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17292 1 6 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 17292 1 7 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17292 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17292 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium cacodylate, pH 6.5, 50 mM KCl, 0.05 mM NaN3 and 5 mM MgCl2' _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 'VS ribozyme SVI RNA (26-MER)' 'natural abundance' . . 1 $VS_ribozyme_SVI_RNA_(26-MER) . . . 0.4 1.8 mM 0.1 . . . 17292 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17292 2 3 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 17292 2 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17292 2 5 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 17292 2 6 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17292 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17292 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium cacodylate, pH 6.5, 50 mM KCl, 0.05 mM NaN3 and 5 mM MgCl2' _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 'VS ribozyme SVI RNA (26-MER)' [U-15N] . . 1 $VS_ribozyme_SVI_RNA_(26-MER) . . . 0.4 1.8 mM 0.1 . . . 17292 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17292 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17292 3 4 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 17292 3 5 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17292 3 6 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 17292 3 7 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17292 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17292 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium cacodylate, pH 6.5, 50 mM KCl, 0.05 mM NaN3 and 5 mM MgCl2' _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 'VS ribozyme SVI RNA (26-MER)' [U-15N] . . 1 $VS_ribozyme_SVI_RNA_(26-MER) . . . 0.4 1.8 mM 0.1 . . . 17292 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17292 4 3 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 17292 4 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17292 4 5 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 17292 4 6 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17292 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17292 _Sample.ID 5 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium cacodylate, pH 6.5, 50 mM KCl, 0.05 mM NaN3 and 5 mM MgCl2' _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 'VS ribozyme SVI RNA (26-MER)' '[U-13C; U-15N]' . . 1 $VS_ribozyme_SVI_RNA_(26-MER) . . . 0.4 1.8 mM 0.1 . . . 17292 5 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17292 5 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17292 5 4 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 17292 5 5 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17292 5 6 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 17292 5 7 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17292 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 17292 _Sample.ID 6 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10 mM sodium cacodylate, pH 6.5, 50 mM KCl, 0.05 mM NaN3 and 5 mM MgCl2' _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 'VS ribozyme SVI RNA (26-MER)' '[U-13C; U-15N]' . . 1 $VS_ribozyme_SVI_RNA_(26-MER) . . . 0.4 1.8 mM 0.1 . . . 17292 6 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17292 6 3 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 17292 6 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17292 6 5 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 17292 6 6 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17292 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 17292 _Sample.ID 7 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10 mM sodium cacodylate, pH 6.5, 50 mM KCl, 0.05 mM NaN3 and 5 mM MgCl2 ~17 mg/mL Pf1 filamentous phage solution (ASLA biotech.) ; _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 'VS ribozyme SVI RNA (26-MER)' [U-15N] . . 1 $VS_ribozyme_SVI_RNA_(26-MER) . . 0.4 . . mM 0.1 . . . 17292 7 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17292 7 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17292 7 4 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 17292 7 5 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17292 7 6 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 17292 7 7 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17292 7 8 'Pf1 filamentous phage' 'natural abundance' . . . . . . 17 . . mg/mL . . . . 17292 7 stop_ save_ save_sample_8 _Sample.Sf_category sample _Sample.Sf_framecode sample_8 _Sample.Entry_ID 17292 _Sample.ID 8 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10 mM sodium cacodylate, pH 6.5, 50 mM KCl, 0.05 mM NaN3 and 5 mM MgCl2 ~17 mg/mL Pf1 filamentous phage solution (ASLA biotech.) ; _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 'VS ribozyme SVI RNA (26-MER)' '[U-13C; U-15N]' . . 1 $VS_ribozyme_SVI_RNA_(26-MER) . . 0.4 . . mM 0.1 . . . 17292 8 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17292 8 3 'sodium cacodylate' 'natural abundance' . . . . . . 10 . . mM . . . . 17292 8 4 KCl 'natural abundance' . . . . . . 50 . . mM . . . . 17292 8 5 NaN3 'natural abundance' . . . . . . 0.05 . . mM . . . . 17292 8 6 MgCl2 'natural abundance' . . . . . . 5 . . mM . . . . 17292 8 7 'Pf1 filamentous phage' 'natural abundance' . . . . . . 17 . . mg/mL . . . . 17292 8 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 17292 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Buffer: 10 mM sodium cacodylate, pH 6.5, 50 mM KCl, 0.05 mM NaN3 and 5 mM MgCl2' 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 17292 1 pH 6.5 . pH 17292 1 pressure 1 . atm 17292 1 temperature 273 . K 17292 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 17292 _Sample_condition_list.ID 2 _Sample_condition_list.Details '10 mM sodium cacodylate, pH 6.5, 50 mM KCl, 0.05 mM NaN3 and 5 mM MgCl2' 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 17292 2 pH 6.5 . pH 17292 2 pressure 1 . atm 17292 2 temperature 273 . K 17292 2 stop_ save_ ############################ # Computer software used # ############################ save_Module _Software.Sf_category software _Software.Sf_framecode Module _Software.Entry_ID 17292 _Software.ID 1 _Software.Name Module _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID (Module) . . 17292 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17292 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 17292 _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' . . 17292 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17292 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17292 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17292 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17292 3 'data analysis' 17292 3 'peak picking' 17292 3 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17292 _Software.ID 4 _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' . . 17292 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17292 4 'structure solution' 17292 4 stop_ save_ save_CURVES_+ _Software.Sf_category software _Software.Sf_framecode CURVES_+ _Software.Entry_ID 17292 _Software.ID 5 _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.' . . 17292 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure analysis' 17292 5 stop_ save_ save_PyMol _Software.Sf_category software _Software.Sf_framecode PyMol _Software.Entry_ID 17292 _Software.ID 6 _Software.Name PyMol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'PyMol (Schr dinger)' . . 17292 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure analysis' 17292 6 'structure display' 17292 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 17292 _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 17292 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 17292 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 17292 _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 . . . 17292 1 2 spectrometer_2 Varian INOVA . 600 . . . 17292 1 3 spectrometer_3 Varian INOVA . 800 . . . 17292 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 17292 _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-13C CT-HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17292 1 2 '2D 1H-13C HMQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17292 1 3 '2D 1H-15N MQ-(HC)N(C)H' no . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17292 1 4 '3D CT-HCCH-COSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17292 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17292 1 6 '3D 13C-edited HMQC-NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17292 1 7 '1D flip-back watergate 1H' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17292 1 8 '2D flip-back watergate NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17292 1 9 '2D imino- and amino-optimized 2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17292 1 10 '2D H(NCCC)H for uracil and cytosine residues' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17292 1 11 '2D H(NC)-TOCSY-(C)H for guanosine residues' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17292 1 12 '2D (H)N(C)-TOCSY-(C)H for adenosine residues' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17292 1 13 '2D 1H-15N CPMG-NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17292 1 14 '2D 1H 15N HMQC optimized for transfers via J=7.0 Hz and J=21 Hz' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17292 1 15 '2D HNN-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17292 1 16 '2D DQF COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17292 1 17 '3D HCCH-E.COSY' no . . . . . . . . . . 6 $sample_6 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17292 1 18 '2D imino-optimized 2D 1H-15N HSQC' no . . . . . . . . . . 7 $sample_7 anisotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17292 1 19 'Spin-state selective experiments' no . . . . . . . . . . 8 $sample_8 isotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17292 1 20 'Spin-state selective experiments' no . . . . . . . . . . 6 $sample_6 anisotropic . . 2 $sample_conditions_2 . . . . . . . . . . . . . . . . . . . . . 17292 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 17292 _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 . indirect 0.251449530 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17292 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17292 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 17292 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 17292 _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 2 '2D 1H-13C HMQC' . . . 17292 1 3 '2D 1H-15N MQ-(HC)N(C)H' . . . 17292 1 9 '2D imino- and amino-optimized 2D 1H-15N HSQC' . . . 17292 1 12 '2D (H)N(C)-TOCSY-(C)H for adenosine residues' . . . 17292 1 14 '2D 1H 15N HMQC optimized for transfers via J=7.0 Hz and J=21 Hz' . . . 17292 1 15 '2D HNN-COSY' . . . 17292 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $NMRDraw . . 17292 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 12.19 0.01 . 1 . . . . 1 G H1 . 17292 1 2 . 1 1 1 1 G H1' H 1 5.61 0.01 . 1 . . . . 1 G H1' . 17292 1 3 . 1 1 1 1 G H2' H 1 4.76 0.01 . 1 . . . . 1 G H2' . 17292 1 4 . 1 1 1 1 G H3' H 1 4.64 0.01 . 1 . . . . 1 G H3' . 17292 1 5 . 1 1 1 1 G H4' H 1 4.30 0.01 . 1 . . . . 1 G H4' . 17292 1 6 . 1 1 1 1 G H5' H 1 4.02 0.01 . 2 . . . . 1 G H5' . 17292 1 7 . 1 1 1 1 G H5'' H 1 3.91 0.01 . 2 . . . . 1 G H5'' . 17292 1 8 . 1 1 1 1 G H8 H 1 7.99 0.01 . 1 . . . . 1 G H8 . 17292 1 9 . 1 1 1 1 G C1' C 13 92.6 0.40 . 1 . . . . 1 G C1' . 17292 1 10 . 1 1 1 1 G C2' C 13 75.1 0.40 . 1 . . . . 1 G C2' . 17292 1 11 . 1 1 1 1 G C3' C 13 75.5 0.40 . 1 . . . . 1 G C3' . 17292 1 12 . 1 1 1 1 G C4' C 13 84.6 0.40 . 1 . . . . 1 G C4' . 17292 1 13 . 1 1 1 1 G C5' C 13 62.2 0.40 . 1 . . . . 1 G C5' . 17292 1 14 . 1 1 1 1 G C8 C 13 138.8 0.40 . 1 . . . . 1 G C8 . 17292 1 15 . 1 1 1 1 G N1 N 15 145.9 0.10 . 1 . . . . 1 G N1 . 17292 1 16 . 1 1 1 1 G N7 N 15 231.3 0.20 . 1 . . . . 1 G N7 . 17292 1 17 . 1 1 1 1 G N9 N 15 169.7 0.20 . 1 . . . . 1 G N9 . 17292 1 18 . 1 1 2 2 A H1' H 1 6.06 0.01 . 1 . . . . 2 A H1' . 17292 1 19 . 1 1 2 2 A H2 H 1 7.59 0.01 . 1 . . . . 2 A H2 . 17292 1 20 . 1 1 2 2 A H2' H 1 4.70 0.01 . 1 . . . . 2 A H2' . 17292 1 21 . 1 1 2 2 A H3' H 1 4.81 0.01 . 1 . . . . 2 A H3' . 17292 1 22 . 1 1 2 2 A H4' H 1 4.58 0.01 . 1 . . . . 2 A H4' . 17292 1 23 . 1 1 2 2 A H5' H 1 4.63 0.01 . 2 . . . . 2 A H5' . 17292 1 24 . 1 1 2 2 A H5'' H 1 4.25 0.01 . 2 . . . . 2 A H5'' . 17292 1 25 . 1 1 2 2 A H8 H 1 8.09 0.01 . 1 . . . . 2 A H8 . 17292 1 26 . 1 1 2 2 A C1' C 13 92.8 0.40 . 1 . . . . 2 A C1' . 17292 1 27 . 1 1 2 2 A C2 C 13 153.4 0.40 . 1 . . . . 2 A C2 . 17292 1 28 . 1 1 2 2 A C2' C 13 75.6 0.40 . 1 . . . . 2 A C2' . 17292 1 29 . 1 1 2 2 A C3' C 13 72.7 0.40 . 1 . . . . 2 A C3' . 17292 1 30 . 1 1 2 2 A C4' C 13 82.1 0.40 . 1 . . . . 2 A C4' . 17292 1 31 . 1 1 2 2 A C5' C 13 64.8 0.40 . 1 . . . . 2 A C5' . 17292 1 32 . 1 1 2 2 A C8 C 13 140.0 0.40 . 1 . . . . 2 A C8 . 17292 1 33 . 1 1 2 2 A N1 N 15 221.4 0.20 . 1 . . . . 2 A N1 . 17292 1 34 . 1 1 2 2 A N3 N 15 213.1 0.20 . 1 . . . . 2 A N3 . 17292 1 35 . 1 1 2 2 A N6 N 15 82.4 0.20 . 1 . . . . 2 A N6 . 17292 1 36 . 1 1 2 2 A N7 N 15 228.7 0.20 . 1 . . . . 2 A N7 . 17292 1 37 . 1 1 2 2 A N9 N 15 171.2 0.20 . 1 . . . . 2 A N9 . 17292 1 38 . 1 1 3 3 G H1 H 1 13.51 0.01 . 1 . . . . 3 G H1 . 17292 1 39 . 1 1 3 3 G H1' H 1 5.72 0.01 . 1 . . . . 3 G H1' . 17292 1 40 . 1 1 3 3 G H2' H 1 4.46 0.01 . 1 . . . . 3 G H2' . 17292 1 41 . 1 1 3 3 G H3' H 1 4.50 0.01 . 1 . . . . 3 G H3' . 17292 1 42 . 1 1 3 3 G H4' H 1 4.50 0.01 . 1 . . . . 3 G H4' . 17292 1 43 . 1 1 3 3 G H5' H 1 4.53 0.01 . 2 . . . . 3 G H5' . 17292 1 44 . 1 1 3 3 G H5'' H 1 4.13 0.01 . 2 . . . . 3 G H5'' . 17292 1 45 . 1 1 3 3 G H8 H 1 7.38 0.01 . 1 . . . . 3 G H8 . 17292 1 46 . 1 1 3 3 G C1' C 13 92.5 0.40 . 1 . . . . 3 G C1' . 17292 1 47 . 1 1 3 3 G C2' C 13 75.4 0.40 . 1 . . . . 3 G C2' . 17292 1 48 . 1 1 3 3 G C3' C 13 72.7 0.40 . 1 . . . . 3 G C3' . 17292 1 49 . 1 1 3 3 G C4' C 13 81.8 0.40 . 1 . . . . 3 G C4' . 17292 1 50 . 1 1 3 3 G C5' C 13 65.3 0.40 . 1 . . . . 3 G C5' . 17292 1 51 . 1 1 3 3 G C8 C 13 135.8 0.40 . 1 . . . . 3 G C8 . 17292 1 52 . 1 1 3 3 G N1 N 15 148.2 0.10 . 1 . . . . 3 G N1 . 17292 1 53 . 1 1 3 3 G N2 N 15 75.6 0.10 . 1 . . . . 3 G N2 . 17292 1 54 . 1 1 3 3 G N7 N 15 233.7 0.20 . 1 . . . . 3 G N7 . 17292 1 55 . 1 1 3 3 G N9 N 15 169.7 0.20 . 1 . . . . 3 G N9 . 17292 1 56 . 1 1 4 4 C H1' H 1 5.54 0.01 . 1 . . . . 4 C H1' . 17292 1 57 . 1 1 4 4 C H2' H 1 4.62 0.01 . 1 . . . . 4 C H2' . 17292 1 58 . 1 1 4 4 C H3' H 1 4.31 0.01 . 1 . . . . 4 C H3' . 17292 1 59 . 1 1 4 4 C H4' H 1 4.45 0.01 . 1 . . . . 4 C H4' . 17292 1 60 . 1 1 4 4 C H5 H 1 5.16 0.01 . 1 . . . . 4 C H5 . 17292 1 61 . 1 1 4 4 C H5' H 1 4.55 0.01 . 2 . . . . 4 C H5' . 17292 1 62 . 1 1 4 4 C H5'' H 1 4.10 0.01 . 2 . . . . 4 C H5'' . 17292 1 63 . 1 1 4 4 C H6 H 1 7.56 0.01 . 1 . . . . 4 C H6 . 17292 1 64 . 1 1 4 4 C H41 H 1 8.35 0.01 . 2 . . . . 4 C H41 . 17292 1 65 . 1 1 4 4 C H42 H 1 6.73 0.01 . 2 . . . . 4 C H42 . 17292 1 66 . 1 1 4 4 C C1' C 13 93.7 0.40 . 1 . . . . 4 C C1' . 17292 1 67 . 1 1 4 4 C C2' C 13 75.3 0.40 . 1 . . . . 4 C C2' . 17292 1 68 . 1 1 4 4 C C3' C 13 72.0 0.40 . 1 . . . . 4 C C3' . 17292 1 69 . 1 1 4 4 C C4' C 13 82.0 0.40 . 1 . . . . 4 C C4' . 17292 1 70 . 1 1 4 4 C C5 C 13 97.1 0.40 . 1 . . . . 4 C C5 . 17292 1 71 . 1 1 4 4 C C5' C 13 64.3 0.40 . 1 . . . . 4 C C5' . 17292 1 72 . 1 1 4 4 C C6 C 13 140.6 0.40 . 1 . . . . 4 C C6 . 17292 1 73 . 1 1 4 4 C N1 N 15 151.7 0.10 . 1 . . . . 4 C N1 . 17292 1 74 . 1 1 4 4 C N3 N 15 196.1 0.50 . 1 . . . . 4 C N3 . 17292 1 75 . 1 1 4 4 C N4 N 15 99.0 0.10 . 1 . . . . 4 C N4 . 17292 1 76 . 1 1 5 5 U H1' H 1 5.65 0.01 . 1 . . . . 5 U H1' . 17292 1 77 . 1 1 5 5 U H2' H 1 4.15 0.01 . 1 . . . . 5 U H2' . 17292 1 78 . 1 1 5 5 U H3 H 1 11.51 0.01 . 1 . . . . 5 U H3 . 17292 1 79 . 1 1 5 5 U H3' H 1 4.56 0.01 . 1 . . . . 5 U H3' . 17292 1 80 . 1 1 5 5 U H4' H 1 4.41 0.01 . 1 . . . . 5 U H4' . 17292 1 81 . 1 1 5 5 U H5 H 1 5.71 0.01 . 1 . . . . 5 U H5 . 17292 1 82 . 1 1 5 5 U H5' H 1 4.55 0.01 . 2 . . . . 5 U H5' . 17292 1 83 . 1 1 5 5 U H5'' H 1 4.11 0.01 . 2 . . . . 5 U H5'' . 17292 1 84 . 1 1 5 5 U H6 H 1 7.83 0.01 . 1 . . . . 5 U H6 . 17292 1 85 . 1 1 5 5 U C1' C 13 94.7 0.40 . 1 . . . . 5 U C1' . 17292 1 86 . 1 1 5 5 U C2' C 13 75.5 0.40 . 1 . . . . 5 U C2' . 17292 1 87 . 1 1 5 5 U C3' C 13 73.0 0.40 . 1 . . . . 5 U C3' . 17292 1 88 . 1 1 5 5 U C4' C 13 82.8 0.40 . 1 . . . . 5 U C4' . 17292 1 89 . 1 1 5 5 U C5 C 13 105.9 0.40 . 1 . . . . 5 U C5 . 17292 1 90 . 1 1 5 5 U C5' C 13 65.2 0.40 . 1 . . . . 5 U C5' . 17292 1 91 . 1 1 5 5 U C6 C 13 141.3 0.40 . 1 . . . . 5 U C6 . 17292 1 92 . 1 1 5 5 U N1 N 15 146.1 0.10 . 1 . . . . 5 U N1 . 17292 1 93 . 1 1 5 5 U N3 N 15 158.0 0.10 . 1 . . . . 5 U N3 . 17292 1 94 . 1 1 6 6 G H1 H 1 13.08 0.01 . 1 . . . . 6 G H1 . 17292 1 95 . 1 1 6 6 G H1' H 1 5.68 0.01 . 1 . . . . 6 G H1' . 17292 1 96 . 1 1 6 6 G H2' H 1 4.15 0.01 . 1 . . . . 6 G H2' . 17292 1 97 . 1 1 6 6 G H3' H 1 4.85 0.01 . 1 . . . . 6 G H3' . 17292 1 98 . 1 1 6 6 G H4' H 1 4.38 0.01 . 1 . . . . 6 G H4' . 17292 1 99 . 1 1 6 6 G H5' H 1 4.52 0.01 . 2 . . . . 6 G H5' . 17292 1 100 . 1 1 6 6 G H5'' H 1 4.18 0.01 . 2 . . . . 6 G H5'' . 17292 1 101 . 1 1 6 6 G H8 H 1 8.02 0.01 . 1 . . . . 6 G H8 . 17292 1 102 . 1 1 6 6 G C1' C 13 90.2 0.40 . 1 . . . . 6 G C1' . 17292 1 103 . 1 1 6 6 G C2' C 13 77.1 0.40 . 1 . . . . 6 G C2' . 17292 1 104 . 1 1 6 6 G C3' C 13 75.5 0.40 . 1 . . . . 6 G C3' . 17292 1 105 . 1 1 6 6 G C4' C 13 83.6 0.40 . 1 . . . . 6 G C4' . 17292 1 106 . 1 1 6 6 G C5' C 13 65.9 0.40 . 1 . . . . 6 G C5' . 17292 1 107 . 1 1 6 6 G C8 C 13 138.7 0.40 . 1 . . . . 6 G C8 . 17292 1 108 . 1 1 6 6 G N1 N 15 148.1 0.10 . 1 . . . . 6 G N1 . 17292 1 109 . 1 1 6 6 G N7 N 15 235.7 0.20 . 1 . . . . 6 G N7 . 17292 1 110 . 1 1 6 6 G N9 N 15 170.0 0.20 . 1 . . . . 6 G N9 . 17292 1 111 . 1 1 7 7 C H1' H 1 5.94 0.01 . 1 . . . . 7 C H1' . 17292 1 112 . 1 1 7 7 C H2' H 1 4.47 0.01 . 1 . . . . 7 C H2' . 17292 1 113 . 1 1 7 7 C H3' H 1 4.65 0.01 . 1 . . . . 7 C H3' . 17292 1 114 . 1 1 7 7 C H4' H 1 4.46 0.01 . 1 . . . . 7 C H4' . 17292 1 115 . 1 1 7 7 C H5 H 1 5.68 0.01 . 1 . . . . 7 C H5 . 17292 1 116 . 1 1 7 7 C H5' H 1 4.33 0.01 . 2 . . . . 7 C H5' . 17292 1 117 . 1 1 7 7 C H5'' H 1 4.25 0.01 . 2 . . . . 7 C H5'' . 17292 1 118 . 1 1 7 7 C H6 H 1 7.83 0.01 . 1 . . . . 7 C H6 . 17292 1 119 . 1 1 7 7 C C1' C 13 92.4 0.40 . 1 . . . . 7 C C1' . 17292 1 120 . 1 1 7 7 C C2' C 13 76.2 0.40 . 1 . . . . 7 C C2' . 17292 1 121 . 1 1 7 7 C C3' C 13 74.5 0.40 . 1 . . . . 7 C C3' . 17292 1 122 . 1 1 7 7 C C4' C 13 83.1 0.40 . 1 . . . . 7 C C4' . 17292 1 123 . 1 1 7 7 C C5 C 13 98.3 0.40 . 1 . . . . 7 C C5 . 17292 1 124 . 1 1 7 7 C C5' C 13 66.0 0.40 . 1 . . . . 7 C C5' . 17292 1 125 . 1 1 7 7 C C6 C 13 142.7 0.40 . 1 . . . . 7 C C6 . 17292 1 126 . 1 1 7 7 C N1 N 15 152.6 0.10 . 1 . . . . 7 C N1 . 17292 1 127 . 1 1 8 8 A H1' H 1 6.18 0.01 . 1 . . . . 8 A H1' . 17292 1 128 . 1 1 8 8 A H2 H 1 8.24 0.01 . 1 . . . . 8 A H2 . 17292 1 129 . 1 1 8 8 A H2' H 1 4.74 0.01 . 1 . . . . 8 A H2' . 17292 1 130 . 1 1 8 8 A H3' H 1 4.98 0.01 . 1 . . . . 8 A H3' . 17292 1 131 . 1 1 8 8 A H4' H 1 4.65 0.01 . 1 . . . . 8 A H4' . 17292 1 132 . 1 1 8 8 A H5' H 1 4.37 0.01 . 2 . . . . 8 A H5' . 17292 1 133 . 1 1 8 8 A H5'' H 1 4.32 0.01 . 2 . . . . 8 A H5'' . 17292 1 134 . 1 1 8 8 A H8 H 1 8.58 0.01 . 1 . . . . 8 A H8 . 17292 1 135 . 1 1 8 8 A H61 H 1 6.80 0.01 . 2 . . . . 8 A H61 . 17292 1 136 . 1 1 8 8 A H62 H 1 6.80 0.01 . 2 . . . . 8 A H62 . 17292 1 137 . 1 1 8 8 A C1' C 13 89.9 0.40 . 1 . . . . 8 A C1' . 17292 1 138 . 1 1 8 8 A C2 C 13 155.6 0.40 . 1 . . . . 8 A C2 . 17292 1 139 . 1 1 8 8 A C2' C 13 77.6 0.40 . 1 . . . . 8 A C2' . 17292 1 140 . 1 1 8 8 A C3' C 13 77.4 0.40 . 1 . . . . 8 A C3' . 17292 1 141 . 1 1 8 8 A C4' C 13 86.1 0.40 . 1 . . . . 8 A C4' . 17292 1 142 . 1 1 8 8 A C5' C 13 67.3 0.40 . 1 . . . . 8 A C5' . 17292 1 143 . 1 1 8 8 A C8 C 13 141.8 0.40 . 1 . . . . 8 A C8 . 17292 1 144 . 1 1 8 8 A N1 N 15 226.0 0.20 . 1 . . . . 8 A N1 . 17292 1 145 . 1 1 8 8 A N3 N 15 217.1 0.20 . 1 . . . . 8 A N3 . 17292 1 146 . 1 1 8 8 A N6 N 15 79.1 0.20 . 1 . . . . 8 A N6 . 17292 1 147 . 1 1 8 8 A N7 N 15 232.7 0.20 . 1 . . . . 8 A N7 . 17292 1 148 . 1 1 8 8 A N9 N 15 168.9 0.20 . 1 . . . . 8 A N9 . 17292 1 149 . 1 1 9 9 G H1' H 1 5.84 0.01 . 1 . . . . 9 G H1' . 17292 1 150 . 1 1 9 9 G H2' H 1 4.83 0.01 . 1 . . . . 9 G H2' . 17292 1 151 . 1 1 9 9 G H3' H 1 4.62 0.01 . 1 . . . . 9 G H3' . 17292 1 152 . 1 1 9 9 G H4' H 1 4.59 0.01 . 1 . . . . 9 G H4' . 17292 1 153 . 1 1 9 9 G H5' H 1 4.52 0.01 . 2 . . . . 9 G H5' . 17292 1 154 . 1 1 9 9 G H5'' H 1 4.37 0.01 . 2 . . . . 9 G H5'' . 17292 1 155 . 1 1 9 9 G H8 H 1 8.05 0.01 . 1 . . . . 9 G H8 . 17292 1 156 . 1 1 9 9 G H21 H 1 6.07 0.01 . 2 . . . . 9 G H21 . 17292 1 157 . 1 1 9 9 G H22 H 1 6.07 0.01 . 2 . . . . 9 G H22 . 17292 1 158 . 1 1 9 9 G C1' C 13 93.1 0.40 . 1 . . . . 9 G C1' . 17292 1 159 . 1 1 9 9 G C2' C 13 75.4 0.40 . 1 . . . . 9 G C2' . 17292 1 160 . 1 1 9 9 G C3' C 13 74.0 0.40 . 1 . . . . 9 G C3' . 17292 1 161 . 1 1 9 9 G C4' C 13 83.4 0.40 . 1 . . . . 9 G C4' . 17292 1 162 . 1 1 9 9 G C5' C 13 66.5 0.40 . 1 . . . . 9 G C5' . 17292 1 163 . 1 1 9 9 G C8 C 13 139.2 0.40 . 1 . . . . 9 G C8 . 17292 1 164 . 1 1 9 9 G N2 N 15 71.8 0.10 . 1 . . . . 9 G N2 . 17292 1 165 . 1 1 9 9 G N7 N 15 233.1 0.20 . 1 . . . . 9 G N7 . 17292 1 166 . 1 1 9 9 G N9 N 15 169.8 0.20 . 1 . . . . 9 G N9 . 17292 1 167 . 1 1 10 10 C H1' H 1 5.53 0.01 . 1 . . . . 10 C H1' . 17292 1 168 . 1 1 10 10 C H2' H 1 4.45 0.01 . 1 . . . . 10 C H2' . 17292 1 169 . 1 1 10 10 C H3' H 1 4.72 0.01 . 1 . . . . 10 C H3' . 17292 1 170 . 1 1 10 10 C H4' H 1 4.54 0.01 . 1 . . . . 10 C H4' . 17292 1 171 . 1 1 10 10 C H5 H 1 5.25 0.01 . 1 . . . . 10 C H5 . 17292 1 172 . 1 1 10 10 C H5' H 1 4.55 0.01 . 2 . . . . 10 C H5' . 17292 1 173 . 1 1 10 10 C H5'' H 1 4.25 0.01 . 2 . . . . 10 C H5'' . 17292 1 174 . 1 1 10 10 C H6 H 1 7.67 0.01 . 1 . . . . 10 C H6 . 17292 1 175 . 1 1 10 10 C H41 H 1 8.22 0.01 . 2 . . . . 10 C H41 . 17292 1 176 . 1 1 10 10 C H42 H 1 6.75 0.01 . 2 . . . . 10 C H42 . 17292 1 177 . 1 1 10 10 C C1' C 13 94.4 0.40 . 1 . . . . 10 C C1' . 17292 1 178 . 1 1 10 10 C C2' C 13 75.2 0.40 . 1 . . . . 10 C C2' . 17292 1 179 . 1 1 10 10 C C3' C 13 72.0 0.40 . 1 . . . . 10 C C3' . 17292 1 180 . 1 1 10 10 C C4' C 13 82.3 0.40 . 1 . . . . 10 C C4' . 17292 1 181 . 1 1 10 10 C C5 C 13 97.2 0.40 . 1 . . . . 10 C C5 . 17292 1 182 . 1 1 10 10 C C5' C 13 64.7 0.40 . 1 . . . . 10 C C5' . 17292 1 183 . 1 1 10 10 C C6 C 13 141.0 0.40 . 1 . . . . 10 C C6 . 17292 1 184 . 1 1 10 10 C N1 N 15 151.6 0.10 . 1 . . . . 10 C N1 . 17292 1 185 . 1 1 10 10 C N3 N 15 198.1 0.50 . 1 . . . . 10 C N3 . 17292 1 186 . 1 1 10 10 C N4 N 15 97.0 0.10 . 1 . . . . 10 C N4 . 17292 1 187 . 1 1 11 11 A H1' H 1 5.95 0.01 . 1 . . . . 11 A H1' . 17292 1 188 . 1 1 11 11 A H2 H 1 7.34 0.01 . 1 . . . . 11 A H2 . 17292 1 189 . 1 1 11 11 A H2' H 1 4.44 0.01 . 1 . . . . 11 A H2' . 17292 1 190 . 1 1 11 11 A H3' H 1 4.81 0.01 . 1 . . . . 11 A H3' . 17292 1 191 . 1 1 11 11 A H4' H 1 4.55 0.01 . 1 . . . . 11 A H4' . 17292 1 192 . 1 1 11 11 A H5' H 1 4.63 0.01 . 2 . . . . 11 A H5' . 17292 1 193 . 1 1 11 11 A H5'' H 1 4.26 0.01 . 2 . . . . 11 A H5'' . 17292 1 194 . 1 1 11 11 A H8 H 1 8.14 0.01 . 1 . . . . 11 A H8 . 17292 1 195 . 1 1 11 11 A C1' C 13 92.7 0.40 . 1 . . . . 11 A C1' . 17292 1 196 . 1 1 11 11 A C2 C 13 153.3 0.40 . 1 . . . . 11 A C2 . 17292 1 197 . 1 1 11 11 A C2' C 13 75.6 0.40 . 1 . . . . 11 A C2' . 17292 1 198 . 1 1 11 11 A C3' C 13 72.2 0.40 . 1 . . . . 11 A C3' . 17292 1 199 . 1 1 11 11 A C4' C 13 81.9 0.40 . 1 . . . . 11 A C4' . 17292 1 200 . 1 1 11 11 A C5' C 13 64.7 0.40 . 1 . . . . 11 A C5' . 17292 1 201 . 1 1 11 11 A C8 C 13 139.6 0.40 . 1 . . . . 11 A C8 . 17292 1 202 . 1 1 11 11 A N1 N 15 220.9 0.20 . 1 . . . . 11 A N1 . 17292 1 203 . 1 1 11 11 A N3 N 15 213.3 0.20 . 1 . . . . 11 A N3 . 17292 1 204 . 1 1 11 11 A N6 N 15 83.8 0.20 . 1 . . . . 11 A N6 . 17292 1 205 . 1 1 11 11 A N7 N 15 230.3 0.20 . 1 . . . . 11 A N7 . 17292 1 206 . 1 1 11 11 A N9 N 15 171.3 0.20 . 1 . . . . 11 A N9 . 17292 1 207 . 1 1 12 12 C H1' H 1 5.54 0.01 . 1 . . . . 12 C H1' . 17292 1 208 . 1 1 12 12 C H2' H 1 4.30 0.01 . 1 . . . . 12 C H2' . 17292 1 209 . 1 1 12 12 C H3' H 1 4.47 0.01 . 1 . . . . 12 C H3' . 17292 1 210 . 1 1 12 12 C H4' H 1 4.53 0.01 . 1 . . . . 12 C H4' . 17292 1 211 . 1 1 12 12 C H5 H 1 5.10 0.01 . 1 . . . . 12 C H5 . 17292 1 212 . 1 1 12 12 C H5' H 1 4.55 0.01 . 2 . . . . 12 C H5' . 17292 1 213 . 1 1 12 12 C H5'' H 1 4.13 0.01 . 2 . . . . 12 C H5'' . 17292 1 214 . 1 1 12 12 C H6 H 1 7.38 0.01 . 1 . . . . 12 C H6 . 17292 1 215 . 1 1 12 12 C H41 H 1 8.11 0.01 . 2 . . . . 12 C H41 . 17292 1 216 . 1 1 12 12 C H42 H 1 6.54 0.01 . 2 . . . . 12 C H42 . 17292 1 217 . 1 1 12 12 C C1' C 13 93.0 0.40 . 1 . . . . 12 C C1' . 17292 1 218 . 1 1 12 12 C C2' C 13 75.9 0.40 . 1 . . . . 12 C C2' . 17292 1 219 . 1 1 12 12 C C3' C 13 71.9 0.40 . 1 . . . . 12 C C3' . 17292 1 220 . 1 1 12 12 C C4' C 13 82.3 0.40 . 1 . . . . 12 C C4' . 17292 1 221 . 1 1 12 12 C C5 C 13 97.5 0.40 . 1 . . . . 12 C C5 . 17292 1 222 . 1 1 12 12 C C5' C 13 64.3 0.40 . 1 . . . . 12 C C5' . 17292 1 223 . 1 1 12 12 C C6 C 13 139.4 0.40 . 1 . . . . 12 C C6 . 17292 1 224 . 1 1 12 12 C N1 N 15 150.7 0.10 . 1 . . . . 12 C N1 . 17292 1 225 . 1 1 12 12 C N3 N 15 195.4 0.50 . 1 . . . . 12 C N3 . 17292 1 226 . 1 1 12 12 C N4 N 15 99.2 0.10 . 1 . . . . 12 C N4 . 17292 1 227 . 1 1 13 13 G H1 H 1 10.54 0.01 . 1 . . . . 13 G H1 . 17292 1 228 . 1 1 13 13 G H1' H 1 5.74 0.01 . 1 . . . . 13 G H1' . 17292 1 229 . 1 1 13 13 G H2' H 1 4.33 0.01 . 1 . . . . 13 G H2' . 17292 1 230 . 1 1 13 13 G H3' H 1 4.70 0.01 . 1 . . . . 13 G H3' . 17292 1 231 . 1 1 13 13 G H4' H 1 4.40 0.01 . 1 . . . . 13 G H4' . 17292 1 232 . 1 1 13 13 G H5' H 1 4.44 0.01 . 2 . . . . 13 G H5' . 17292 1 233 . 1 1 13 13 G H5'' H 1 4.16 0.01 . 2 . . . . 13 G H5'' . 17292 1 234 . 1 1 13 13 G H8 H 1 7.44 0.01 . 1 . . . . 13 G H8 . 17292 1 235 . 1 1 13 13 G C1' C 13 93.7 0.40 . 1 . . . . 13 G C1' . 17292 1 236 . 1 1 13 13 G C2' C 13 75.8 0.40 . 1 . . . . 13 G C2' . 17292 1 237 . 1 1 13 13 G C3' C 13 71.7 0.40 . 1 . . . . 13 G C3' . 17292 1 238 . 1 1 13 13 G C4' C 13 81.9 0.40 . 1 . . . . 13 G C4' . 17292 1 239 . 1 1 13 13 G C5' C 13 64.3 0.40 . 1 . . . . 13 G C5' . 17292 1 240 . 1 1 13 13 G C8 C 13 136.1 0.40 . 1 . . . . 13 G C8 . 17292 1 241 . 1 1 13 13 G N1 N 15 145.5 0.10 . 1 . . . . 13 G N1 . 17292 1 242 . 1 1 13 13 G N2 N 15 75.8 0.10 . 1 . . . . 13 G N2 . 17292 1 243 . 1 1 13 13 G N7 N 15 230.1 0.20 . 1 . . . . 13 G N7 . 17292 1 244 . 1 1 14 14 A H1' H 1 5.67 0.01 . 1 . . . . 14 A H1' . 17292 1 245 . 1 1 14 14 A H2 H 1 7.74 0.01 . 1 . . . . 14 A H2 . 17292 1 246 . 1 1 14 14 A H2' H 1 4.77 0.01 . 1 . . . . 14 A H2' . 17292 1 247 . 1 1 14 14 A H3' H 1 4.44 0.01 . 1 . . . . 14 A H3' . 17292 1 248 . 1 1 14 14 A H4' H 1 4.22 0.01 . 1 . . . . 14 A H4' . 17292 1 249 . 1 1 14 14 A H5' H 1 4.30 0.01 . 2 . . . . 14 A H5' . 17292 1 250 . 1 1 14 14 A H5'' H 1 3.95 0.01 . 2 . . . . 14 A H5'' . 17292 1 251 . 1 1 14 14 A H8 H 1 8.33 0.01 . 1 . . . . 14 A H8 . 17292 1 252 . 1 1 14 14 A H61 H 1 6.37 0.01 . 2 . . . . 14 A H61 . 17292 1 253 . 1 1 14 14 A H62 H 1 6.37 0.01 . 2 . . . . 14 A H62 . 17292 1 254 . 1 1 14 14 A C1' C 13 93.1 0.40 . 1 . . . . 14 A C1' . 17292 1 255 . 1 1 14 14 A C2 C 13 154.0 0.40 . 1 . . . . 14 A C2 . 17292 1 256 . 1 1 14 14 A C2' C 13 75.5 0.40 . 1 . . . . 14 A C2' . 17292 1 257 . 1 1 14 14 A C3' C 13 72.5 0.40 . 1 . . . . 14 A C3' . 17292 1 258 . 1 1 14 14 A C4' C 13 83.0 0.40 . 1 . . . . 14 A C4' . 17292 1 259 . 1 1 14 14 A C5' C 13 63.7 0.40 . 1 . . . . 14 A C5' . 17292 1 260 . 1 1 14 14 A C8 C 13 142.1 0.40 . 1 . . . . 14 A C8 . 17292 1 261 . 1 1 14 14 A N1 N 15 224.5 0.20 . 1 . . . . 14 A N1 . 17292 1 262 . 1 1 14 14 A N3 N 15 215.9 0.20 . 1 . . . . 14 A N3 . 17292 1 263 . 1 1 14 14 A N6 N 15 78.8 0.20 . 1 . . . . 14 A N6 . 17292 1 264 . 1 1 14 14 A N7 N 15 228.4 0.20 . 1 . . . . 14 A N7 . 17292 1 265 . 1 1 14 14 A N9 N 15 169.9 0.20 . 1 . . . . 14 A N9 . 17292 1 266 . 1 1 15 15 A H1' H 1 5.39 0.01 . 1 . . . . 15 A H1' . 17292 1 267 . 1 1 15 15 A H2 H 1 7.70 0.01 . 1 . . . . 15 A H2 . 17292 1 268 . 1 1 15 15 A H2' H 1 4.37 0.01 . 1 . . . . 15 A H2' . 17292 1 269 . 1 1 15 15 A H3' H 1 4.56 0.01 . 1 . . . . 15 A H3' . 17292 1 270 . 1 1 15 15 A H4' H 1 4.35 0.01 . 1 . . . . 15 A H4' . 17292 1 271 . 1 1 15 15 A H5' H 1 4.26 0.01 . 2 . . . . 15 A H5' . 17292 1 272 . 1 1 15 15 A H5'' H 1 3.96 0.01 . 2 . . . . 15 A H5'' . 17292 1 273 . 1 1 15 15 A H8 H 1 7.89 0.01 . 1 . . . . 15 A H8 . 17292 1 274 . 1 1 15 15 A H61 H 1 6.35 0.01 . 2 . . . . 15 A H61 . 17292 1 275 . 1 1 15 15 A H62 H 1 6.35 0.01 . 2 . . . . 15 A H62 . 17292 1 276 . 1 1 15 15 A C1' C 13 93.1 0.40 . 1 . . . . 15 A C1' . 17292 1 277 . 1 1 15 15 A C2 C 13 154.4 0.40 . 1 . . . . 15 A C2 . 17292 1 278 . 1 1 15 15 A C2' C 13 75.6 0.40 . 1 . . . . 15 A C2' . 17292 1 279 . 1 1 15 15 A C3' C 13 73.0 0.40 . 1 . . . . 15 A C3' . 17292 1 280 . 1 1 15 15 A C4' C 13 82.8 0.40 . 1 . . . . 15 A C4' . 17292 1 281 . 1 1 15 15 A C5' C 13 64.4 0.40 . 1 . . . . 15 A C5' . 17292 1 282 . 1 1 15 15 A C8 C 13 139.9 0.40 . 1 . . . . 15 A C8 . 17292 1 283 . 1 1 15 15 A N1 N 15 227.3 0.20 . 1 . . . . 15 A N1 . 17292 1 284 . 1 1 15 15 A N3 N 15 214.7 0.20 . 1 . . . . 15 A N3 . 17292 1 285 . 1 1 15 15 A N6 N 15 80.4 0.20 . 1 . . . . 15 A N6 . 17292 1 286 . 1 1 15 15 A N7 N 15 225.9 0.20 . 1 . . . . 15 A N7 . 17292 1 287 . 1 1 15 15 A N9 N 15 170.4 0.20 . 1 . . . . 15 A N9 . 17292 1 288 . 1 1 16 16 A H1' H 1 5.99 0.01 . 1 . . . . 16 A H1' . 17292 1 289 . 1 1 16 16 A H2 H 1 8.21 0.01 . 1 . . . . 16 A H2 . 17292 1 290 . 1 1 16 16 A H2' H 1 4.55 0.01 . 1 . . . . 16 A H2' . 17292 1 291 . 1 1 16 16 A H3' H 1 4.90 0.01 . 1 . . . . 16 A H3' . 17292 1 292 . 1 1 16 16 A H4' H 1 4.45 0.01 . 1 . . . . 16 A H4' . 17292 1 293 . 1 1 16 16 A H5' H 1 4.64 0.01 . 2 . . . . 16 A H5' . 17292 1 294 . 1 1 16 16 A H5'' H 1 4.26 0.01 . 2 . . . . 16 A H5'' . 17292 1 295 . 1 1 16 16 A H8 H 1 8.14 0.01 . 1 . . . . 16 A H8 . 17292 1 296 . 1 1 16 16 A C1' C 13 91.8 0.40 . 1 . . . . 16 A C1' . 17292 1 297 . 1 1 16 16 A C2 C 13 155.8 0.40 . 1 . . . . 16 A C2 . 17292 1 298 . 1 1 16 16 A C2' C 13 76.3 0.40 . 1 . . . . 16 A C2' . 17292 1 299 . 1 1 16 16 A C3' C 13 72.8 0.40 . 1 . . . . 16 A C3' . 17292 1 300 . 1 1 16 16 A C4' C 13 82.1 0.40 . 1 . . . . 16 A C4' . 17292 1 301 . 1 1 16 16 A C5' C 13 65.0 0.40 . 1 . . . . 16 A C5' . 17292 1 302 . 1 1 16 16 A C8 C 13 140.0 0.40 . 1 . . . . 16 A C8 . 17292 1 303 . 1 1 16 16 A N1 N 15 226.8 0.20 . 1 . . . . 16 A N1 . 17292 1 304 . 1 1 16 16 A N3 N 15 215.6 0.20 . 1 . . . . 16 A N3 . 17292 1 305 . 1 1 16 16 A N6 N 15 80.9 0.20 . 1 . . . . 16 A N6 . 17292 1 306 . 1 1 16 16 A N7 N 15 231.6 0.20 . 1 . . . . 16 A N7 . 17292 1 307 . 1 1 16 16 A N9 N 15 173.0 0.20 . 1 . . . . 16 A N9 . 17292 1 308 . 1 1 17 17 G H1 H 1 12.83 0.01 . 1 . . . . 17 G H1 . 17292 1 309 . 1 1 17 17 G H1' H 1 3.57 0.01 . 1 . . . . 17 G H1' . 17292 1 310 . 1 1 17 17 G H2' H 1 4.21 0.01 . 1 . . . . 17 G H2' . 17292 1 311 . 1 1 17 17 G H3' H 1 4.09 0.01 . 1 . . . . 17 G H3' . 17292 1 312 . 1 1 17 17 G H4' H 1 4.21 0.01 . 1 . . . . 17 G H4' . 17292 1 313 . 1 1 17 17 G H5' H 1 4.31 0.01 . 2 . . . . 17 G H5' . 17292 1 314 . 1 1 17 17 G H5'' H 1 4.21 0.01 . 2 . . . . 17 G H5'' . 17292 1 315 . 1 1 17 17 G H8 H 1 7.98 0.01 . 1 . . . . 17 G H8 . 17292 1 316 . 1 1 17 17 G C1' C 13 93.4 0.40 . 1 . . . . 17 G C1' . 17292 1 317 . 1 1 17 17 G C2' C 13 74.5 0.40 . 1 . . . . 17 G C2' . 17292 1 318 . 1 1 17 17 G C3' C 13 74.6 0.40 . 1 . . . . 17 G C3' . 17292 1 319 . 1 1 17 17 G C4' C 13 82.7 0.40 . 1 . . . . 17 G C4' . 17292 1 320 . 1 1 17 17 G C5' C 13 69.4 0.40 . 1 . . . . 17 G C5' . 17292 1 321 . 1 1 17 17 G C8 C 13 137.7 0.40 . 1 . . . . 17 G C8 . 17292 1 322 . 1 1 17 17 G N1 N 15 147.2 0.10 . 1 . . . . 17 G N1 . 17292 1 323 . 1 1 17 17 G N2 N 15 75.3 0.10 . 1 . . . . 17 G N2 . 17292 1 324 . 1 1 17 17 G N7 N 15 232.0 0.20 . 1 . . . . 17 G N7 . 17292 1 325 . 1 1 17 17 G N9 N 15 169.5 0.20 . 1 . . . . 17 G N9 . 17292 1 326 . 1 1 18 18 U H1' H 1 5.54 0.01 . 1 . . . . 18 U H1' . 17292 1 327 . 1 1 18 18 U H2' H 1 4.63 0.01 . 1 . . . . 18 U H2' . 17292 1 328 . 1 1 18 18 U H3 H 1 13.97 0.01 . 1 . . . . 18 U H3 . 17292 1 329 . 1 1 18 18 U H3' H 1 4.31 0.01 . 1 . . . . 18 U H3' . 17292 1 330 . 1 1 18 18 U H4' H 1 4.45 0.01 . 1 . . . . 18 U H4' . 17292 1 331 . 1 1 18 18 U H5 H 1 5.04 0.01 . 1 . . . . 18 U H5 . 17292 1 332 . 1 1 18 18 U H5' H 1 4.57 0.01 . 2 . . . . 18 U H5' . 17292 1 333 . 1 1 18 18 U H5'' H 1 4.11 0.01 . 2 . . . . 18 U H5'' . 17292 1 334 . 1 1 18 18 U H6 H 1 7.80 0.01 . 1 . . . . 18 U H6 . 17292 1 335 . 1 1 18 18 U C1' C 13 93.4 0.40 . 1 . . . . 18 U C1' . 17292 1 336 . 1 1 18 18 U C2' C 13 75.1 0.40 . 1 . . . . 18 U C2' . 17292 1 337 . 1 1 18 18 U C3' C 13 72.1 0.40 . 1 . . . . 18 U C3' . 17292 1 338 . 1 1 18 18 U C4' C 13 81.9 0.40 . 1 . . . . 18 U C4' . 17292 1 339 . 1 1 18 18 U C5 C 13 102.4 0.40 . 1 . . . . 18 U C5 . 17292 1 340 . 1 1 18 18 U C5' C 13 64.5 0.40 . 1 . . . . 18 U C5' . 17292 1 341 . 1 1 18 18 U C6 C 13 141.6 0.40 . 1 . . . . 18 U C6 . 17292 1 342 . 1 1 18 18 U N1 N 15 146.5 0.10 . 1 . . . . 18 U N1 . 17292 1 343 . 1 1 18 18 U N3 N 15 162.3 0.10 . 1 . . . . 18 U N3 . 17292 1 344 . 1 1 19 19 G H1 H 1 12.01 0.01 . 1 . . . . 19 G H1 . 17292 1 345 . 1 1 19 19 G H1' H 1 5.71 0.01 . 1 . . . . 19 G H1' . 17292 1 346 . 1 1 19 19 G H2' H 1 4.54 0.01 . 1 . . . . 19 G H2' . 17292 1 347 . 1 1 19 19 G H3' H 1 4.69 0.01 . 1 . . . . 19 G H3' . 17292 1 348 . 1 1 19 19 G H4' H 1 4.52 0.01 . 1 . . . . 19 G H4' . 17292 1 349 . 1 1 19 19 G H5' H 1 4.58 0.01 . 2 . . . . 19 G H5' . 17292 1 350 . 1 1 19 19 G H5'' H 1 4.19 0.01 . 2 . . . . 19 G H5'' . 17292 1 351 . 1 1 19 19 G H8 H 1 7.71 0.01 . 1 . . . . 19 G H8 . 17292 1 352 . 1 1 19 19 G C1' C 13 92.5 0.40 . 1 . . . . 19 G C1' . 17292 1 353 . 1 1 19 19 G C2' C 13 75.5 0.40 . 1 . . . . 19 G C2' . 17292 1 354 . 1 1 19 19 G C3' C 13 73.1 0.40 . 1 . . . . 19 G C3' . 17292 1 355 . 1 1 19 19 G C4' C 13 82.0 0.40 . 1 . . . . 19 G C4' . 17292 1 356 . 1 1 19 19 G C5' C 13 65.1 0.40 . 1 . . . . 19 G C5' . 17292 1 357 . 1 1 19 19 G C8 C 13 136.6 0.40 . 1 . . . . 19 G C8 . 17292 1 358 . 1 1 19 19 G N1 N 15 146.8 0.10 . 1 . . . . 19 G N1 . 17292 1 359 . 1 1 19 19 G N2 N 15 74.7 0.10 . 1 . . . . 19 G N2 . 17292 1 360 . 1 1 19 19 G N7 N 15 234.2 0.20 . 1 . . . . 19 G N7 . 17292 1 361 . 1 1 20 20 A H1' H 1 5.92 0.01 . 1 . . . . 20 A H1' . 17292 1 362 . 1 1 20 20 A H2 H 1 7.88 0.01 . 1 . . . . 20 A H2 . 17292 1 363 . 1 1 20 20 A H2' H 1 4.66 0.01 . 1 . . . . 20 A H2' . 17292 1 364 . 1 1 20 20 A H3' H 1 4.57 0.01 . 1 . . . . 20 A H3' . 17292 1 365 . 1 1 20 20 A H4' H 1 4.56 0.01 . 1 . . . . 20 A H4' . 17292 1 366 . 1 1 20 20 A H5' H 1 4.63 0.01 . 2 . . . . 20 A H5' . 17292 1 367 . 1 1 20 20 A H5'' H 1 4.23 0.01 . 2 . . . . 20 A H5'' . 17292 1 368 . 1 1 20 20 A H8 H 1 7.94 0.01 . 1 . . . . 20 A H8 . 17292 1 369 . 1 1 20 20 A C1' C 13 92.7 0.40 . 1 . . . . 20 A C1' . 17292 1 370 . 1 1 20 20 A C2 C 13 154.6 0.40 . 1 . . . . 20 A C2 . 17292 1 371 . 1 1 20 20 A C2' C 13 75.5 0.40 . 1 . . . . 20 A C2' . 17292 1 372 . 1 1 20 20 A C3' C 13 72.7 0.40 . 1 . . . . 20 A C3' . 17292 1 373 . 1 1 20 20 A C4' C 13 82.1 0.40 . 1 . . . . 20 A C4' . 17292 1 374 . 1 1 20 20 A C5' C 13 65.0 0.40 . 1 . . . . 20 A C5' . 17292 1 375 . 1 1 20 20 A C8 C 13 139.0 0.40 . 1 . . . . 20 A C8 . 17292 1 376 . 1 1 20 20 A N1 N 15 222.8 0.20 . 1 . . . . 20 A N1 . 17292 1 377 . 1 1 20 20 A N3 N 15 213.1 0.20 . 1 . . . . 20 A N3 . 17292 1 378 . 1 1 20 20 A N6 N 15 84.9 0.20 . 1 . . . . 20 A N6 . 17292 1 379 . 1 1 20 20 A N7 N 15 230.3 0.20 . 1 . . . . 20 A N7 . 17292 1 380 . 1 1 20 20 A N9 N 15 171.1 0.20 . 1 . . . . 20 A N9 . 17292 1 381 . 1 1 21 21 C H1' H 1 5.36 0.01 . 1 . . . . 21 C H1' . 17292 1 382 . 1 1 21 21 C H2' H 1 4.31 0.01 . 1 . . . . 21 C H2' . 17292 1 383 . 1 1 21 21 C H3' H 1 4.53 0.01 . 1 . . . . 21 C H3' . 17292 1 384 . 1 1 21 21 C H4' H 1 4.41 0.01 . 1 . . . . 21 C H4' . 17292 1 385 . 1 1 21 21 C H5 H 1 5.44 0.01 . 1 . . . . 21 C H5 . 17292 1 386 . 1 1 21 21 C H5' H 1 4.56 0.01 . 2 . . . . 21 C H5' . 17292 1 387 . 1 1 21 21 C H5'' H 1 4.15 0.01 . 2 . . . . 21 C H5'' . 17292 1 388 . 1 1 21 21 C H6 H 1 7.64 0.01 . 1 . . . . 21 C H6 . 17292 1 389 . 1 1 21 21 C H41 H 1 8.50 0.01 . 2 . . . . 21 C H41 . 17292 1 390 . 1 1 21 21 C H42 H 1 6.81 0.01 . 2 . . . . 21 C H42 . 17292 1 391 . 1 1 21 21 C C1' C 13 93.1 0.40 . 1 . . . . 21 C C1' . 17292 1 392 . 1 1 21 21 C C2' C 13 75.7 0.40 . 1 . . . . 21 C C2' . 17292 1 393 . 1 1 21 21 C C3' C 13 72.1 0.40 . 1 . . . . 21 C C3' . 17292 1 394 . 1 1 21 21 C C4' C 13 81.8 0.40 . 1 . . . . 21 C C4' . 17292 1 395 . 1 1 21 21 C C5 C 13 98.6 0.40 . 1 . . . . 21 C C5 . 17292 1 396 . 1 1 21 21 C C5' C 13 64.3 0.40 . 1 . . . . 21 C C5' . 17292 1 397 . 1 1 21 21 C C6 C 13 139.7 0.40 . 1 . . . . 21 C C6 . 17292 1 398 . 1 1 21 21 C N1 N 15 150.8 0.10 . 1 . . . . 21 C N1 . 17292 1 399 . 1 1 21 21 C N3 N 15 197.7 0.50 . 1 . . . . 21 C N3 . 17292 1 400 . 1 1 21 21 C N4 N 15 99.6 0.10 . 1 . . . . 21 C N4 . 17292 1 401 . 1 1 22 22 G H1 H 1 10.70 0.01 . 1 . . . . 22 G H1 . 17292 1 402 . 1 1 22 22 G H1' H 1 5.75 0.01 . 1 . . . . 22 G H1' . 17292 1 403 . 1 1 22 22 G H2' H 1 4.64 0.01 . 1 . . . . 22 G H2' . 17292 1 404 . 1 1 22 22 G H3' H 1 4.58 0.01 . 1 . . . . 22 G H3' . 17292 1 405 . 1 1 22 22 G H4' H 1 4.52 0.01 . 1 . . . . 22 G H4' . 17292 1 406 . 1 1 22 22 G H5' H 1 4.49 0.01 . 2 . . . . 22 G H5' . 17292 1 407 . 1 1 22 22 G H5'' H 1 4.15 0.01 . 2 . . . . 22 G H5'' . 17292 1 408 . 1 1 22 22 G H8 H 1 7.50 0.01 . 1 . . . . 22 G H8 . 17292 1 409 . 1 1 22 22 G H21 H 1 5.91 0.01 . 2 . . . . 22 G H21 . 17292 1 410 . 1 1 22 22 G H22 H 1 5.91 0.01 . 2 . . . . 22 G H22 . 17292 1 411 . 1 1 22 22 G C1' C 13 92.8 0.40 . 1 . . . . 22 G C1' . 17292 1 412 . 1 1 22 22 G C2' C 13 75.3 0.40 . 1 . . . . 22 G C2' . 17292 1 413 . 1 1 22 22 G C3' C 13 72.8 0.40 . 1 . . . . 22 G C3' . 17292 1 414 . 1 1 22 22 G C4' C 13 82.0 0.40 . 1 . . . . 22 G C4' . 17292 1 415 . 1 1 22 22 G C5' C 13 65.3 0.40 . 1 . . . . 22 G C5' . 17292 1 416 . 1 1 22 22 G C8 C 13 136.2 0.40 . 1 . . . . 22 G C8 . 17292 1 417 . 1 1 22 22 G N1 N 15 142.9 0.10 . 1 . . . . 22 G N1 . 17292 1 418 . 1 1 22 22 G N2 N 15 72.2 0.10 . 1 . . . . 22 G N2 . 17292 1 419 . 1 1 22 22 G N7 N 15 234.5 0.20 . 1 . . . . 22 G N7 . 17292 1 420 . 1 1 22 22 G N9 N 15 170.4 0.20 . 1 . . . . 22 G N9 . 17292 1 421 . 1 1 23 23 G H1 H 1 13.44 0.01 . 1 . . . . 23 G H1 . 17292 1 422 . 1 1 23 23 G H1' H 1 5.65 0.01 . 1 . . . . 23 G H1' . 17292 1 423 . 1 1 23 23 G H2' H 1 4.45 0.01 . 1 . . . . 23 G H2' . 17292 1 424 . 1 1 23 23 G H3' H 1 4.57 0.01 . 1 . . . . 23 G H3' . 17292 1 425 . 1 1 23 23 G H4' H 1 4.44 0.01 . 1 . . . . 23 G H4' . 17292 1 426 . 1 1 23 23 G H5' H 1 4.58 0.01 . 2 . . . . 23 G H5' . 17292 1 427 . 1 1 23 23 G H5'' H 1 4.13 0.01 . 2 . . . . 23 G H5'' . 17292 1 428 . 1 1 23 23 G H8 H 1 7.33 0.01 . 1 . . . . 23 G H8 . 17292 1 429 . 1 1 23 23 G C1' C 13 92.8 0.40 . 1 . . . . 23 G C1' . 17292 1 430 . 1 1 23 23 G C2' C 13 75.3 0.40 . 1 . . . . 23 G C2' . 17292 1 431 . 1 1 23 23 G C3' C 13 72.5 0.40 . 1 . . . . 23 G C3' . 17292 1 432 . 1 1 23 23 G C4' C 13 82.2 0.40 . 1 . . . . 23 G C4' . 17292 1 433 . 1 1 23 23 G C5' C 13 64.5 0.40 . 1 . . . . 23 G C5' . 17292 1 434 . 1 1 23 23 G C8 C 13 136.0 0.40 . 1 . . . . 23 G C8 . 17292 1 435 . 1 1 23 23 G N1 N 15 148.5 0.10 . 1 . . . . 23 G N1 . 17292 1 436 . 1 1 23 23 G N2 N 15 76.5 0.10 . 1 . . . . 23 G N2 . 17292 1 437 . 1 1 23 23 G N7 N 15 233.6 0.20 . 1 . . . . 23 G N7 . 17292 1 438 . 1 1 23 23 G N9 N 15 169.9 0.20 . 1 . . . . 23 G N9 . 17292 1 439 . 1 1 24 24 C H1' H 1 5.55 0.01 . 1 . . . . 24 C H1' . 17292 1 440 . 1 1 24 24 C H2' H 1 4.39 0.01 . 1 . . . . 24 C H2' . 17292 1 441 . 1 1 24 24 C H3' H 1 4.48 0.01 . 1 . . . . 24 C H3' . 17292 1 442 . 1 1 24 24 C H4' H 1 4.44 0.01 . 1 . . . . 24 C H4' . 17292 1 443 . 1 1 24 24 C H5 H 1 5.25 0.01 . 1 . . . . 24 C H5 . 17292 1 444 . 1 1 24 24 C H5' H 1 4.58 0.01 . 2 . . . . 24 C H5' . 17292 1 445 . 1 1 24 24 C H5'' H 1 4.10 0.01 . 2 . . . . 24 C H5'' . 17292 1 446 . 1 1 24 24 C H6 H 1 7.72 0.01 . 1 . . . . 24 C H6 . 17292 1 447 . 1 1 24 24 C H41 H 1 8.54 0.01 . 2 . . . . 24 C H41 . 17292 1 448 . 1 1 24 24 C H42 H 1 6.86 0.01 . 2 . . . . 24 C H42 . 17292 1 449 . 1 1 24 24 C C1' C 13 93.9 0.40 . 1 . . . . 24 C C1' . 17292 1 450 . 1 1 24 24 C C2' C 13 75.4 0.40 . 1 . . . . 24 C C2' . 17292 1 451 . 1 1 24 24 C C3' C 13 71.9 0.40 . 1 . . . . 24 C C3' . 17292 1 452 . 1 1 24 24 C C4' C 13 81.7 0.40 . 1 . . . . 24 C C4' . 17292 1 453 . 1 1 24 24 C C5 C 13 97.1 0.40 . 1 . . . . 24 C C5 . 17292 1 454 . 1 1 24 24 C C5' C 13 64.3 0.40 . 1 . . . . 24 C C5' . 17292 1 455 . 1 1 24 24 C C6 C 13 141.0 0.40 . 1 . . . . 24 C C6 . 17292 1 456 . 1 1 24 24 C N1 N 15 151.2 0.10 . 1 . . . . 24 C N1 . 17292 1 457 . 1 1 24 24 C N3 N 15 197.1 0.50 . 1 . . . . 24 C N3 . 17292 1 458 . 1 1 24 24 C N4 N 15 99.7 0.10 . 1 . . . . 24 C N4 . 17292 1 459 . 1 1 25 25 U H1' H 1 5.62 0.01 . 1 . . . . 25 U H1' . 17292 1 460 . 1 1 25 25 U H2' H 1 4.39 0.01 . 1 . . . . 25 U H2' . 17292 1 461 . 1 1 25 25 U H3 H 1 14.38 0.01 . 1 . . . . 25 U H3 . 17292 1 462 . 1 1 25 25 U H3' H 1 4.55 0.01 . 1 . . . . 25 U H3' . 17292 1 463 . 1 1 25 25 U H4' H 1 4.44 0.01 . 1 . . . . 25 U H4' . 17292 1 464 . 1 1 25 25 U H5 H 1 5.46 0.01 . 1 . . . . 25 U H5 . 17292 1 465 . 1 1 25 25 U H5' H 1 4.58 0.01 . 2 . . . . 25 U H5' . 17292 1 466 . 1 1 25 25 U H5'' H 1 4.12 0.01 . 2 . . . . 25 U H5'' . 17292 1 467 . 1 1 25 25 U H6 H 1 7.97 0.01 . 1 . . . . 25 U H6 . 17292 1 468 . 1 1 25 25 U C1' C 13 93.9 0.40 . 1 . . . . 25 U C1' . 17292 1 469 . 1 1 25 25 U C2' C 13 75.4 0.40 . 1 . . . . 25 U C2' . 17292 1 470 . 1 1 25 25 U C3' C 13 72.1 0.40 . 1 . . . . 25 U C3' . 17292 1 471 . 1 1 25 25 U C4' C 13 81.8 0.40 . 1 . . . . 25 U C4' . 17292 1 472 . 1 1 25 25 U C5 C 13 103.3 0.40 . 1 . . . . 25 U C5 . 17292 1 473 . 1 1 25 25 U C5' C 13 64.3 0.40 . 1 . . . . 25 U C5' . 17292 1 474 . 1 1 25 25 U C6 C 13 142.2 0.40 . 1 . . . . 25 U C6 . 17292 1 475 . 1 1 25 25 U N1 N 15 146.9 0.10 . 1 . . . . 25 U N1 . 17292 1 476 . 1 1 25 25 U N3 N 15 162.7 0.10 . 1 . . . . 25 U N3 . 17292 1 477 . 1 1 26 26 C H1' H 1 5.85 0.01 . 1 . . . . 26 C H1' . 17292 1 478 . 1 1 26 26 C H2' H 1 4.04 0.01 . 1 . . . . 26 C H2' . 17292 1 479 . 1 1 26 26 C H3' H 1 4.21 0.01 . 1 . . . . 26 C H3' . 17292 1 480 . 1 1 26 26 C H4' H 1 4.22 0.01 . 1 . . . . 26 C H4' . 17292 1 481 . 1 1 26 26 C H5 H 1 5.73 0.01 . 1 . . . . 26 C H5 . 17292 1 482 . 1 1 26 26 C H5' H 1 4.56 0.01 . 2 . . . . 26 C H5' . 17292 1 483 . 1 1 26 26 C H5'' H 1 4.11 0.01 . 2 . . . . 26 C H5'' . 17292 1 484 . 1 1 26 26 C H6 H 1 7.81 0.01 . 1 . . . . 26 C H6 . 17292 1 485 . 1 1 26 26 C H41 H 1 8.22 0.01 . 2 . . . . 26 C H41 . 17292 1 486 . 1 1 26 26 C H42 H 1 6.95 0.01 . 2 . . . . 26 C H42 . 17292 1 487 . 1 1 26 26 C C1' C 13 92.9 0.40 . 1 . . . . 26 C C1' . 17292 1 488 . 1 1 26 26 C C2' C 13 77.5 0.40 . 1 . . . . 26 C C2' . 17292 1 489 . 1 1 26 26 C C3' C 13 69.7 0.40 . 1 . . . . 26 C C3' . 17292 1 490 . 1 1 26 26 C C4' C 13 83.3 0.40 . 1 . . . . 26 C C4' . 17292 1 491 . 1 1 26 26 C C5 C 13 98.0 0.40 . 1 . . . . 26 C C5 . 17292 1 492 . 1 1 26 26 C C5' C 13 65.2 0.40 . 1 . . . . 26 C C5' . 17292 1 493 . 1 1 26 26 C C6 C 13 142.1 0.40 . 1 . . . . 26 C C6 . 17292 1 494 . 1 1 26 26 C N1 N 15 152.9 0.10 . 1 . . . . 26 C N1 . 17292 1 495 . 1 1 26 26 C N3 N 15 197.4 0.50 . 1 . . . . 26 C N3 . 17292 1 496 . 1 1 26 26 C N4 N 15 97.3 0.10 . 1 . . . . 26 C N4 . 17292 1 stop_ save_