data_17972 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17972 _Entry.Title ; U2/U6 Helix I ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-10-03 _Entry.Accession_date 2011-10-03 _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 Jordan Burke . E. . 17972 2 Dipali Sashital . G. . 17972 3 Xiaobing Zuo . E. . 17972 4 Yun-Xing Wang . . . 17972 5 Samuel Butcher . E. . 17972 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' . 17972 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID bulge . 17972 'U2 RNA' . 17972 'U6 RNA' . 17972 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 17972 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 80 17972 '1H chemical shifts' 167 17972 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 . . 2012-04-04 2011-10-03 update BMRB 'update entry citation' 17972 1 . . 2012-02-20 2011-10-03 original author 'original release' 17972 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LK3 'BMRB Entry Tracking System' 17972 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17972 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22328579 _Citation.Full_citation . _Citation.Title 'Structure of the yeast U2/U6 snRNA complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full 'RNA (New York, N.Y.)' _Citation.Journal_volume 18 _Citation.Journal_issue 4 _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 673 _Citation.Page_last 683 _Citation.Year 2012 _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 Jordan Burke . E. . 17972 1 2 Dipali Sashital . G. . 17972 1 3 Xiaobing Zuo . . . 17972 1 4 Yun-Xing Wang . . . 17972 1 5 Samuel Butcher . E. . 17972 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17972 _Assembly.ID 1 _Assembly.Name U2/U6snRNA _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 U2_U6snRNA 1 $U2_U6snRNA A . yes native no no . . . 17972 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_U2_U6snRNA _Entity.Sf_category entity _Entity.Sf_framecode U2_U6snRNA _Entity.Entry_ID 17972 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RNA_(5'-R(*GP*GP*CP*UP*UP*AP*GP*AP*UP*CP*AP*GP*AP*AP*AP*UP*GP*AP*UP*CP*AP*GP*CP*C)-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 ; GGCUUAGAUCAGAAAUGAUC AGCC ; _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 24 _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 7716.717 _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 . 17972 1 2 . G . 17972 1 3 . C . 17972 1 4 . U . 17972 1 5 . U . 17972 1 6 . A . 17972 1 7 . G . 17972 1 8 . A . 17972 1 9 . U . 17972 1 10 . C . 17972 1 11 . A . 17972 1 12 . G . 17972 1 13 . A . 17972 1 14 . A . 17972 1 15 . A . 17972 1 16 . U . 17972 1 17 . G . 17972 1 18 . A . 17972 1 19 . U . 17972 1 20 . C . 17972 1 21 . A . 17972 1 22 . G . 17972 1 23 . C . 17972 1 24 . C . 17972 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 17972 1 . G 2 2 17972 1 . C 3 3 17972 1 . U 4 4 17972 1 . U 5 5 17972 1 . A 6 6 17972 1 . G 7 7 17972 1 . A 8 8 17972 1 . U 9 9 17972 1 . C 10 10 17972 1 . A 11 11 17972 1 . G 12 12 17972 1 . A 13 13 17972 1 . A 14 14 17972 1 . A 15 15 17972 1 . U 16 16 17972 1 . G 17 17 17972 1 . A 18 18 17972 1 . U 19 19 17972 1 . C 20 20 17972 1 . A 21 21 17972 1 . G 22 22 17972 1 . C 23 23 17972 1 . C 24 24 17972 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 17972 _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 $U2_U6snRNA . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 17972 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 17972 _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 $U2_U6snRNA . 'cell free synthesis' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . N/A . . N/A . . . . . . 17972 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17972 _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 'natural abundance' . . 1 $U2_U6snRNA . . . 0.5 0.6 mM . . . . 17972 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17972 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17972 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17972 _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 'natural abundance' . . 1 $U2_U6snRNA . . . 0.5 0.6 mM . . . . 17972 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17972 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 17972 _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 '[U-98% 13C; U-98% 15N]' . . 1 $U2_U6snRNA . . 0.3 . . mM . . . . 17972 3 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17972 3 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17972 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 17972 _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 '[U-98% 13C; U-98% 15N]' . . 1 $U2_U6snRNA . . 0.3 . . mM . . . . 17972 4 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17972 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 17972 _Sample.ID 5 _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 '[U-98% 13C; U-98% 15N]' . . 1 $U2_U6snRNA . . 0.3 . . mM . . . . 17972 5 2 'Pf1 phage' 'natural abundance' . . . . . . 17 . . mg/ml . . . . 17972 5 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17972 5 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17972 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 17972 _Sample.ID 6 _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 '[U-98% 13C; U-98% 15N]' . . 1 $U2_U6snRNA . . 0.3 . . mM . . . . 17972 6 2 'Pf1 phage' 'natural abundance' . . . . . . 17 . . mg/ml . . . . 17972 6 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17972 6 stop_ save_ save_sample_7 _Sample.Sf_category sample _Sample.Sf_framecode sample_7 _Sample.Entry_ID 17972 _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 'natural abundance' . . 1 $U2_U6snRNA . . . 0.5 0.6 mM . . . . 17972 7 2 'Pf1 phage' 'natural abundance' . . . . . . 18 . . mg/ml . . . . 17972 7 3 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17972 7 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 17972 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH achieved by addition of HCl or NaOH' 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' 15 5 mM 17972 1 pH 7.0 0.1 pH 17972 1 pressure 1 . atm 17972 1 temperature 283 . K 17972 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 17972 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'pH achieved by addition of HCl or NaOH' 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' 15 5 mM 17972 2 pH 7.0 .01 pH 17972 2 pressure 1 . atm 17972 2 temperature 298 . K 17972 2 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17972 _Software.ID 1 _Software.Name CNS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 17972 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17972 1 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 17972 _Software.ID 2 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17972 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17972 2 processing 17972 2 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 17972 _Software.ID 3 _Software.Name VNMRJ _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 17972 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17972 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17972 _Software.ID 4 _Software.Name NMRPipe _Software.Version 97.027.12.56 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17972 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17972 4 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17972 _Software.ID 5 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17972 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17972 5 'data analysis' 17972 5 'peak picking' 17972 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17972 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version 2.21 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17972 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17972 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 17972 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Telemark _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17972 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Jaulan _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 17972 _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 Bruker DMX . 750 Telemark . . 17972 1 2 spectrometer_2 Varian INOVA . 600 Jaulan . . 17972 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 17972 _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-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17972 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17972 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17972 1 4 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17972 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17972 1 6 '2D 1H-15N HMQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17972 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17972 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17972 1 9 '2D 1H-15N HMQC' no . . . . . . . . . . 5 $sample_5 anisotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17972 1 10 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 6 $sample_6 anisotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17972 1 11 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 6 $sample_6 anisotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17972 1 12 '2D HNN-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17972 1 13 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17972 1 14 '3D HCCH-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17972 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 17972 _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 . . . . . . . . . 17972 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17972 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 17972 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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-1H NOESY' . . . 17972 1 3 '2D 1H-1H TOCSY' . . . 17972 1 4 '2D 1H-13C HSQC aromatic' . . . 17972 1 5 '2D 1H-13C HSQC aliphatic' . . . 17972 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 5.812 0.005 . 1 . . . . 1 G H1' . 17972 1 2 . 1 1 1 1 G H2' H 1 4.933 0.002 . 2 . . . . 1 G H2' . 17972 1 3 . 1 1 1 1 G H3' H 1 4.745 0.002 . 1 . . . . 1 G H3' . 17972 1 4 . 1 1 1 1 G H8 H 1 8.133 0.002 . 1 . . . . 1 G H8 . 17972 1 5 . 1 1 1 1 G C2' C 13 74.991 0.016 . 1 . . . . 1 G C2' . 17972 1 6 . 1 1 1 1 G C3' C 13 75.078 0.016 . 1 . . . . 1 G C3' . 17972 1 7 . 1 1 1 1 G C8 C 13 139.203 0.016 . 1 . . . . 1 G C8 . 17972 1 8 . 1 1 2 2 G H1' H 1 5.909 0.001 . 1 . . . . 2 G H1' . 17972 1 9 . 1 1 2 2 G H2' H 1 4.625 0.001 . 2 . . . . 2 G H2' . 17972 1 10 . 1 1 2 2 G H3' H 1 4.518 0.003 . 1 . . . . 2 G H3' . 17972 1 11 . 1 1 2 2 G H8 H 1 7.623 0.004 . 1 . . . . 2 G H8 . 17972 1 12 . 1 1 2 2 G C1' C 13 92.971 0.016 . 1 . . . . 2 G C1' . 17972 1 13 . 1 1 2 2 G C2' C 13 76.533 0.016 . 1 . . . . 2 G C2' . 17972 1 14 . 1 1 2 2 G C8 C 13 137.017 0.016 . 1 . . . . 2 G C8 . 17972 1 15 . 1 1 3 3 C H1' H 1 5.579 0.003 . 1 . . . . 3 C H1' . 17972 1 16 . 1 1 3 3 C H2' H 1 4.378 0.007 . 2 . . . . 3 C H2' . 17972 1 17 . 1 1 3 3 C H3' H 1 4.521 0.004 . 1 . . . . 3 C H3' . 17972 1 18 . 1 1 3 3 C H5 H 1 5.258 0.004 . 1 . . . . 3 C H5 . 17972 1 19 . 1 1 3 3 C H5'' H 1 4.082 0.001 . 2 . . . . 3 C H5'' . 17972 1 20 . 1 1 3 3 C H6 H 1 7.521 0.003 . 1 . . . . 3 C H6 . 17972 1 21 . 1 1 3 3 C C1' C 13 94.051 0.016 . 1 . . . . 3 C C1' . 17972 1 22 . 1 1 3 3 C C2' C 13 72.524 0.016 . 1 . . . . 3 C C2' . 17972 1 23 . 1 1 3 3 C C6 C 13 141.032 0.016 . 1 . . . . 3 C C6 . 17972 1 24 . 1 1 4 4 U H1' H 1 5.773 0.004 . 1 . . . . 4 U H1' . 17972 1 25 . 1 1 4 4 U H2' H 1 4.231 0.001 . 1 . . . . 4 U H2' . 17972 1 26 . 1 1 4 4 U H3' H 1 4.234 0.002 . 1 . . . . 4 U H3' . 17972 1 27 . 1 1 4 4 U H5 H 1 5.529 0.005 . 1 . . . . 4 U H5 . 17972 1 28 . 1 1 4 4 U H6 H 1 7.733 0.004 . 1 . . . . 4 U H6 . 17972 1 29 . 1 1 4 4 U C1' C 13 92.153 0.016 . 1 . . . . 4 U C1' . 17972 1 30 . 1 1 4 4 U C3' C 13 75.971 0.016 . 1 . . . . 4 U C3' . 17972 1 31 . 1 1 4 4 U C6 C 13 142.351 0.016 . 1 . . . . 4 U C6 . 17972 1 32 . 1 1 5 5 U H1' H 1 5.829 0.005 . 1 . . . . 5 U H1' . 17972 1 33 . 1 1 5 5 U H2' H 1 4.268 0.008 . 1 . . . . 5 U H2' . 17972 1 34 . 1 1 5 5 U H3' H 1 4.624 0.005 . 1 . . . . 5 U H3' . 17972 1 35 . 1 1 5 5 U H4' H 1 4.521 0.006 . 1 . . . . 5 U H4' . 17972 1 36 . 1 1 5 5 U H5 H 1 5.755 0.008 . 1 . . . . 5 U H5 . 17972 1 37 . 1 1 5 5 U H6 H 1 7.701 0.005 . 1 . . . . 5 U H6 . 17972 1 38 . 1 1 5 5 U C1' C 13 92.378 0.016 . 1 . . . . 5 U C1' . 17972 1 39 . 1 1 5 5 U C2' C 13 75.488 0.016 . 1 . . . . 5 U C2' . 17972 1 40 . 1 1 5 5 U C3' C 13 75.452 0.016 . 1 . . . . 5 U C3' . 17972 1 41 . 1 1 5 5 U C6 C 13 143.715 0.016 . 1 . . . . 5 U C6 . 17972 1 42 . 1 1 6 6 A H1' H 1 5.990 0.005 . 1 . . . . 6 A H1' . 17972 1 43 . 1 1 6 6 A H2 H 1 8.059 0.003 . 1 . . . . 6 A H2 . 17972 1 44 . 1 1 6 6 A H2' H 1 4.810 0.003 . 2 . . . . 6 A H2' . 17972 1 45 . 1 1 6 6 A H3' H 1 4.748 0.001 . 1 . . . . 6 A H3' . 17972 1 46 . 1 1 6 6 A H4' H 1 4.560 0.006 . 1 . . . . 6 A H4' . 17972 1 47 . 1 1 6 6 A H8 H 1 8.294 0.001 . 1 . . . . 6 A H8 . 17972 1 48 . 1 1 6 6 A C1' C 13 93.269 0.016 . 1 . . . . 6 A C1' . 17972 1 49 . 1 1 6 6 A C2 C 13 155.161 0.016 . 1 . . . . 6 A C2 . 17972 1 50 . 1 1 6 6 A C2' C 13 75.812 0.016 . 1 . . . . 6 A C2' . 17972 1 51 . 1 1 6 6 A C3' C 13 75.960 0.016 . 1 . . . . 6 A C3' . 17972 1 52 . 1 1 6 6 A C8 C 13 141.857 0.016 . 1 . . . . 6 A C8 . 17972 1 53 . 1 1 7 7 G H1' H 1 5.553 0.005 . 1 . . . . 7 G H1' . 17972 1 54 . 1 1 7 7 G H2' H 1 4.775 0.001 . 2 . . . . 7 G H2' . 17972 1 55 . 1 1 7 7 G H3' H 1 4.630 0.006 . 1 . . . . 7 G H3' . 17972 1 56 . 1 1 7 7 G H5' H 1 4.232 0.003 . 2 . . . . 7 G H5' . 17972 1 57 . 1 1 7 7 G H8 H 1 7.775 0.001 . 1 . . . . 7 G H8 . 17972 1 58 . 1 1 7 7 G C1' C 13 91.697 0.016 . 1 . . . . 7 G C1' . 17972 1 59 . 1 1 7 7 G C2' C 13 75.112 0.016 . 1 . . . . 7 G C2' . 17972 1 60 . 1 1 7 7 G C8 C 13 137.796 0.016 . 1 . . . . 7 G C8 . 17972 1 61 . 1 1 8 8 A H1' H 1 5.994 0.001 . 1 . . . . 8 A H1' . 17972 1 62 . 1 1 8 8 A H2 H 1 7.787 0.004 . 1 . . . . 8 A H2 . 17972 1 63 . 1 1 8 8 A H2' H 1 4.575 0.007 . 2 . . . . 8 A H2' . 17972 1 64 . 1 1 8 8 A H8 H 1 7.872 0.002 . 1 . . . . 8 A H8 . 17972 1 65 . 1 1 8 8 A C1' C 13 90.733 0.016 . 1 . . . . 8 A C1' . 17972 1 66 . 1 1 8 8 A C2 C 13 153.894 0.016 . 1 . . . . 8 A C2 . 17972 1 67 . 1 1 8 8 A C2' C 13 74.021 0.016 . 1 . . . . 8 A C2' . 17972 1 68 . 1 1 8 8 A C8 C 13 140.196 0.016 . 1 . . . . 8 A C8 . 17972 1 69 . 1 1 9 9 U H1' H 1 5.508 0.002 . 1 . . . . 9 U H1' . 17972 1 70 . 1 1 9 9 U H2' H 1 4.338 0.002 . 1 . . . . 9 U H2' . 17972 1 71 . 1 1 9 9 U H3' H 1 4.438 0.006 . 1 . . . . 9 U H3' . 17972 1 72 . 1 1 9 9 U H5 H 1 4.983 0.002 . 1 . . . . 9 U H5 . 17972 1 73 . 1 1 9 9 U H5' H 1 4.563 0.006 . 2 . . . . 9 U H5' . 17972 1 74 . 1 1 9 9 U H5'' H 1 4.537 0.006 . 2 . . . . 9 U H5'' . 17972 1 75 . 1 1 9 9 U H6 H 1 7.634 0.005 . 1 . . . . 9 U H6 . 17972 1 76 . 1 1 9 9 U C1' C 13 93.503 0.016 . 1 . . . . 9 U C1' . 17972 1 77 . 1 1 9 9 U C2' C 13 75.634 0.016 . 1 . . . . 9 U C2' . 17972 1 78 . 1 1 9 9 U C3' C 13 72.204 0.016 . 1 . . . . 9 U C3' . 17972 1 79 . 1 1 9 9 U C6 C 13 141.341 0.016 . 1 . . . . 9 U C6 . 17972 1 80 . 1 1 10 10 C H1' H 1 5.537 0.004 . 1 . . . . 10 C H1' . 17972 1 81 . 1 1 10 10 C H2' H 1 4.379 0.003 . 2 . . . . 10 C H2' . 17972 1 82 . 1 1 10 10 C H3' H 1 4.549 0.006 . 1 . . . . 10 C H3' . 17972 1 83 . 1 1 10 10 C H4' H 1 4.428 0.005 . 1 . . . . 10 C H4' . 17972 1 84 . 1 1 10 10 C H5 H 1 5.590 0.001 . 1 . . . . 10 C H5 . 17972 1 85 . 1 1 10 10 C H6 H 1 7.798 0.007 . 1 . . . . 10 C H6 . 17972 1 86 . 1 1 10 10 C C1' C 13 93.744 0.016 . 1 . . . . 10 C C1' . 17972 1 87 . 1 1 10 10 C C3' C 13 72.608 0.016 . 1 . . . . 10 C C3' . 17972 1 88 . 1 1 10 10 C C6 C 13 141.416 0.016 . 1 . . . . 10 C C6 . 17972 1 89 . 1 1 11 11 A H1' H 1 5.879 0.001 . 1 . . . . 11 A H1' . 17972 1 90 . 1 1 11 11 A H2 H 1 7.287 0.001 . 1 . . . . 11 A H2 . 17972 1 91 . 1 1 11 11 A H2' H 1 4.512 0.001 . 2 . . . . 11 A H2' . 17972 1 92 . 1 1 11 11 A H3' H 1 4.662 0.003 . 1 . . . . 11 A H3' . 17972 1 93 . 1 1 11 11 A H8 H 1 7.895 0.014 . 1 . . . . 11 A H8 . 17972 1 94 . 1 1 11 11 A C1' C 13 92.987 0.016 . 1 . . . . 11 A C1' . 17972 1 95 . 1 1 11 11 A C2 C 13 153.099 0.016 . 1 . . . . 11 A C2 . 17972 1 96 . 1 1 11 11 A C3' C 13 72.432 0.016 . 1 . . . . 11 A C3' . 17972 1 97 . 1 1 11 11 A C8 C 13 139.276 0.016 . 1 . . . . 11 A C8 . 17972 1 98 . 1 1 12 12 G H1' H 1 5.371 0.004 . 1 . . . . 12 G H1' . 17972 1 99 . 1 1 12 12 G H2' H 1 4.333 0.001 . 2 . . . . 12 G H2' . 17972 1 100 . 1 1 12 12 G H3' H 1 4.570 0.006 . 1 . . . . 12 G H3' . 17972 1 101 . 1 1 12 12 G H5'' H 1 4.069 0.001 . 2 . . . . 12 G H5'' . 17972 1 102 . 1 1 12 12 G H8 H 1 7.175 0.001 . 1 . . . . 12 G H8 . 17972 1 103 . 1 1 12 12 G C1' C 13 92.427 0.016 . 1 . . . . 12 G C1' . 17972 1 104 . 1 1 12 12 G C8 C 13 136.426 0.016 . 1 . . . . 12 G C8 . 17972 1 105 . 1 1 13 13 A H1' H 1 5.687 0.004 . 1 . . . . 13 A H1' . 17972 1 106 . 1 1 13 13 A H2 H 1 7.812 0.006 . 1 . . . . 13 A H2 . 17972 1 107 . 1 1 13 13 A H2' H 1 4.682 0.002 . 2 . . . . 13 A H2' . 17972 1 108 . 1 1 13 13 A H3' H 1 4.416 0.003 . 1 . . . . 13 A H3' . 17972 1 109 . 1 1 13 13 A H4' H 1 4.205 0.002 . 1 . . . . 13 A H4' . 17972 1 110 . 1 1 13 13 A H8 H 1 8.302 0.002 . 1 . . . . 13 A H8 . 17972 1 111 . 1 1 13 13 A C1' C 13 91.468 0.016 . 1 . . . . 13 A C1' . 17972 1 112 . 1 1 13 13 A C2 C 13 154.388 0.016 . 1 . . . . 13 A C2 . 17972 1 113 . 1 1 13 13 A C2' C 13 75.879 0.016 . 1 . . . . 13 A C2' . 17972 1 114 . 1 1 13 13 A C8 C 13 142.135 0.016 . 1 . . . . 13 A C8 . 17972 1 115 . 1 1 14 14 A H1' H 1 5.455 0.004 . 1 . . . . 14 A H1' . 17972 1 116 . 1 1 14 14 A H2 H 1 8.148 0.002 . 1 . . . . 14 A H2 . 17972 1 117 . 1 1 14 14 A H2' H 1 4.352 0.008 . 2 . . . . 14 A H2' . 17972 1 118 . 1 1 14 14 A H8 H 1 7.865 0.011 . 1 . . . . 14 A H8 . 17972 1 119 . 1 1 14 14 A C1' C 13 92.012 0.016 . 1 . . . . 14 A C1' . 17972 1 120 . 1 1 14 14 A C2 C 13 155.470 0.016 . 1 . . . . 14 A C2 . 17972 1 121 . 1 1 14 14 A C8 C 13 140.067 0.016 . 1 . . . . 14 A C8 . 17972 1 122 . 1 1 15 15 A H1' H 1 6.024 0.004 . 1 . . . . 15 A H1' . 17972 1 123 . 1 1 15 15 A H2 H 1 7.692 0.005 . 1 . . . . 15 A H2 . 17972 1 124 . 1 1 15 15 A H2' H 1 4.454 0.010 . 2 . . . . 15 A H2' . 17972 1 125 . 1 1 15 15 A H3' H 1 4.983 0.005 . 1 . . . . 15 A H3' . 17972 1 126 . 1 1 15 15 A H4' H 1 4.448 0.006 . 1 . . . . 15 A H4' . 17972 1 127 . 1 1 15 15 A H5' H 1 4.521 0.006 . 2 . . . . 15 A H5' . 17972 1 128 . 1 1 15 15 A H8 H 1 8.062 0.003 . 1 . . . . 15 A H8 . 17972 1 129 . 1 1 15 15 A C1' C 13 91.892 0.016 . 1 . . . . 15 A C1' . 17972 1 130 . 1 1 15 15 A C2 C 13 154.326 0.016 . 1 . . . . 15 A C2 . 17972 1 131 . 1 1 15 15 A C8 C 13 140.751 0.016 . 1 . . . . 15 A C8 . 17972 1 132 . 1 1 16 16 U H1' H 1 3.873 0.016 . 1 . . . . 16 U H1' . 17972 1 133 . 1 1 16 16 U H2' H 1 4.421 0.002 . 1 . . . . 16 U H2' . 17972 1 134 . 1 1 16 16 U H3' H 1 4.183 0.004 . 1 . . . . 16 U H3' . 17972 1 135 . 1 1 16 16 U H5 H 1 5.885 0.004 . 1 . . . . 16 U H5 . 17972 1 136 . 1 1 16 16 U H5' H 1 4.221 0.006 . 2 . . . . 16 U H5' . 17972 1 137 . 1 1 16 16 U H6 H 1 7.828 0.005 . 1 . . . . 16 U H6 . 17972 1 138 . 1 1 16 16 U C1' C 13 94.307 0.016 . 1 . . . . 16 U C1' . 17972 1 139 . 1 1 16 16 U C2' C 13 74.467 0.016 . 1 . . . . 16 U C2' . 17972 1 140 . 1 1 16 16 U C3' C 13 74.427 0.016 . 1 . . . . 16 U C3' . 17972 1 141 . 1 1 16 16 U C6 C 13 142.477 0.016 . 1 . . . . 16 U C6 . 17972 1 142 . 1 1 17 17 G H1' H 1 5.752 0.001 . 1 . . . . 17 G H1' . 17972 1 143 . 1 1 17 17 G H2' H 1 4.584 0.002 . 2 . . . . 17 G H2' . 17972 1 144 . 1 1 17 17 G H3' H 1 4.609 0.002 . 1 . . . . 17 G H3' . 17972 1 145 . 1 1 17 17 G H5'' H 1 4.075 0.006 . 2 . . . . 17 G H5'' . 17972 1 146 . 1 1 17 17 G H8 H 1 7.696 0.022 . 1 . . . . 17 G H8 . 17972 1 147 . 1 1 17 17 G C1' C 13 92.442 0.016 . 1 . . . . 17 G C1' . 17972 1 148 . 1 1 17 17 G C2' C 13 75.442 0.016 . 1 . . . . 17 G C2' . 17972 1 149 . 1 1 17 17 G C3' C 13 72.918 0.016 . 1 . . . . 17 G C3' . 17972 1 150 . 1 1 17 17 G C8 C 13 136.689 0.016 . 1 . . . . 17 G C8 . 17972 1 151 . 1 1 18 18 A H1' H 1 5.842 0.003 . 1 . . . . 18 A H1' . 17972 1 152 . 1 1 18 18 A H2 H 1 7.647 0.004 . 1 . . . . 18 A H2 . 17972 1 153 . 1 1 18 18 A H2' H 1 4.399 0.001 . 2 . . . . 18 A H2' . 17972 1 154 . 1 1 18 18 A H3' H 1 4.534 0.002 . 1 . . . . 18 A H3' . 17972 1 155 . 1 1 18 18 A H4' H 1 4.477 0.006 . 1 . . . . 18 A H4' . 17972 1 156 . 1 1 18 18 A H8 H 1 7.748 0.004 . 1 . . . . 18 A H8 . 17972 1 157 . 1 1 18 18 A C1' C 13 93.096 0.016 . 1 . . . . 18 A C1' . 17972 1 158 . 1 1 18 18 A C2 C 13 153.739 0.016 . 1 . . . . 18 A C2 . 17972 1 159 . 1 1 18 18 A C3' C 13 74.631 0.016 . 1 . . . . 18 A C3' . 17972 1 160 . 1 1 18 18 A C8 C 13 139.298 0.016 . 1 . . . . 18 A C8 . 17972 1 161 . 1 1 19 19 U H1' H 1 5.465 0.004 . 1 . . . . 19 U H1' . 17972 1 162 . 1 1 19 19 U H2' H 1 4.334 0.008 . 1 . . . . 19 U H2' . 17972 1 163 . 1 1 19 19 U H5 H 1 4.942 0.001 . 1 . . . . 19 U H5 . 17972 1 164 . 1 1 19 19 U H6 H 1 7.515 0.004 . 1 . . . . 19 U H6 . 17972 1 165 . 1 1 19 19 U C1' C 13 93.224 0.016 . 1 . . . . 19 U C1' . 17972 1 166 . 1 1 19 19 U C6 C 13 141.218 0.016 . 1 . . . . 19 U C6 . 17972 1 167 . 1 1 20 20 C H1' H 1 5.614 0.001 . 1 . . . . 20 C H1' . 17972 1 168 . 1 1 20 20 C H2' H 1 4.466 0.004 . 2 . . . . 20 C H2' . 17972 1 169 . 1 1 20 20 C H3' H 1 4.370 0.006 . 1 . . . . 20 C H3' . 17972 1 170 . 1 1 20 20 C H4' H 1 4.416 0.006 . 1 . . . . 20 C H4' . 17972 1 171 . 1 1 20 20 C H5 H 1 5.474 0.003 . 1 . . . . 20 C H5 . 17972 1 172 . 1 1 20 20 C H5' H 1 4.086 0.006 . 2 . . . . 20 C H5' . 17972 1 173 . 1 1 20 20 C H6 H 1 7.604 0.005 . 1 . . . . 20 C H6 . 17972 1 174 . 1 1 20 20 C C1' C 13 93.736 0.016 . 1 . . . . 20 C C1' . 17972 1 175 . 1 1 20 20 C C2' C 13 76.679 0.016 . 1 . . . . 20 C C2' . 17972 1 176 . 1 1 20 20 C C6 C 13 141.249 0.016 . 1 . . . . 20 C C6 . 17972 1 177 . 1 1 21 21 A H1' H 1 5.829 0.004 . 1 . . . . 21 A H1' . 17972 1 178 . 1 1 21 21 A H2 H 1 7.280 0.003 . 1 . . . . 21 A H2 . 17972 1 179 . 1 1 21 21 A H2' H 1 4.628 0.002 . 2 . . . . 21 A H2' . 17972 1 180 . 1 1 21 21 A H3' H 1 4.279 0.006 . 1 . . . . 21 A H3' . 17972 1 181 . 1 1 21 21 A H4' H 1 4.416 0.006 . 1 . . . . 21 A H4' . 17972 1 182 . 1 1 21 21 A H5' H 1 4.167 0.006 . 2 . . . . 21 A H5' . 17972 1 183 . 1 1 21 21 A H8 H 1 8.047 0.004 . 1 . . . . 21 A H8 . 17972 1 184 . 1 1 21 21 A C1' C 13 90.753 0.016 . 1 . . . . 21 A C1' . 17972 1 185 . 1 1 21 21 A C2 C 13 153.565 0.016 . 1 . . . . 21 A C2 . 17972 1 186 . 1 1 21 21 A C8 C 13 140.163 0.016 . 1 . . . . 21 A C8 . 17972 1 187 . 1 1 22 22 G H1' H 1 5.445 0.001 . 1 . . . . 22 G H1' . 17972 1 188 . 1 1 22 22 G H2' H 1 4.441 0.003 . 2 . . . . 22 G H2' . 17972 1 189 . 1 1 22 22 G H3' H 1 4.404 0.002 . 1 . . . . 22 G H3' . 17972 1 190 . 1 1 22 22 G H4' H 1 4.285 0.003 . 1 . . . . 22 G H4' . 17972 1 191 . 1 1 22 22 G H5'' H 1 4.068 0.006 . 2 . . . . 22 G H5'' . 17972 1 192 . 1 1 22 22 G H8 H 1 7.333 0.001 . 1 . . . . 22 G H8 . 17972 1 193 . 1 1 22 22 G C1' C 13 92.900 0.016 . 1 . . . . 22 G C1' . 17972 1 194 . 1 1 22 22 G C2' C 13 74.854 0.016 . 1 . . . . 22 G C2' . 17972 1 195 . 1 1 22 22 G C8 C 13 136.333 0.016 . 1 . . . . 22 G C8 . 17972 1 196 . 1 1 23 23 C H1' H 1 5.542 0.001 . 1 . . . . 23 C H1' . 17972 1 197 . 1 1 23 23 C H2' H 1 4.254 0.002 . 2 . . . . 23 C H2' . 17972 1 198 . 1 1 23 23 C H5 H 1 5.187 0.002 . 1 . . . . 23 C H5 . 17972 1 199 . 1 1 23 23 C H6 H 1 7.635 0.003 . 1 . . . . 23 C H6 . 17972 1 200 . 1 1 23 23 C C1' C 13 94.101 0.016 . 1 . . . . 23 C C1' . 17972 1 201 . 1 1 23 23 C C6 C 13 141.372 0.016 . 1 . . . . 23 C C6 . 17972 1 202 . 1 1 24 24 C H1' H 1 5.782 0.005 . 1 . . . . 24 C H1' . 17972 1 203 . 1 1 24 24 C H2' H 1 4.009 0.002 . 2 . . . . 24 C H2' . 17972 1 204 . 1 1 24 24 C H3' H 1 4.175 0.001 . 1 . . . . 24 C H3' . 17972 1 205 . 1 1 24 24 C H5 H 1 5.528 0.003 . 1 . . . . 24 C H5 . 17972 1 206 . 1 1 24 24 C H6 H 1 7.672 0.013 . 1 . . . . 24 C H6 . 17972 1 207 . 1 1 24 24 C C1' C 13 92.900 0.016 . 1 . . . . 24 C C1' . 17972 1 208 . 1 1 24 24 C C2' C 13 77.547 0.016 . 1 . . . . 24 C C2' . 17972 1 209 . 1 1 24 24 C C3' C 13 69.714 0.016 . 1 . . . . 24 C C3' . 17972 1 210 . 1 1 24 24 C C6 C 13 141.838 0.016 . 1 . . . . 24 C C6 . 17972 1 stop_ save_ save_assigned_chem_shift_2ist_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_2ist_1 _Assigned_chem_shift_list.Entry_ID 17972 _Assigned_chem_shift_list.ID 2 _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-1H NOESY' . . . 17972 2 9 '2D 1H-15N HMQC' . . . 17972 2 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 12.728 0.004 . 1 . . . . 1 G H1 . 17972 2 2 . 1 1 1 1 G H21 H 1 8.235 0.001 . 2 . . . . 1 G H21 . 17972 2 3 . 1 1 1 1 G H22 H 1 6.914 0.001 . 2 . . . . 1 G H22 . 17972 2 4 . 1 1 2 2 G H1 H 1 13.254 0.001 . 1 . . . . 2 G H1 . 17972 2 5 . 1 1 2 2 G H21 H 1 8.447 0.005 . 2 . . . . 2 G H21 . 17972 2 6 . 1 1 2 2 G H22 H 1 6.813 0.017 . 2 . . . . 2 G H22 . 17972 2 7 . 1 1 3 3 C H5 H 1 5.101 0.020 . 1 . . . . 3 C H5 . 17972 2 8 . 1 1 4 4 U H1' H 1 5.647 0.020 . 1 . . . . 4 U H1' . 17972 2 9 . 1 1 4 4 U H5 H 1 5.403 0.020 . 1 . . . . 4 U H5 . 17972 2 10 . 1 1 4 4 U H6 H 1 7.624 0.020 . 1 . . . . 4 U H6 . 17972 2 11 . 1 1 7 7 G H1 H 1 11.847 0.001 . 1 . . . . 7 G H1 . 17972 2 12 . 1 1 8 8 A H2 H 1 7.654 0.007 . 1 . . . . 8 A H2 . 17972 2 13 . 1 1 8 8 A H61 H 1 7.784 0.020 . 2 . . . . 8 A H61 . 17972 2 14 . 1 1 8 8 A H62 H 1 6.636 0.020 . 2 . . . . 8 A H62 . 17972 2 15 . 1 1 9 9 U H3 H 1 13.989 0.035 . 1 . . . . 9 U H3 . 17972 2 16 . 1 1 10 10 C H1' H 1 5.487 0.080 . 1 . . . . 10 C H1' . 17972 2 17 . 1 1 10 10 C H41 H 1 8.122 0.002 . 2 . . . . 10 C H41 . 17972 2 18 . 1 1 10 10 C H42 H 1 6.821 0.001 . 2 . . . . 10 C H42 . 17972 2 19 . 1 1 11 11 A H2 H 1 7.126 0.001 . 1 . . . . 11 A H2 . 17972 2 20 . 1 1 11 11 A H2' H 1 4.354 0.020 . 1 . . . . 11 A H2' . 17972 2 21 . 1 1 12 12 G H1 H 1 10.105 0.002 . 1 . . . . 12 G H1 . 17972 2 22 . 1 1 12 12 G H2' H 1 4.181 0.020 . 1 . . . . 12 G H2' . 17972 2 23 . 1 1 15 15 A H2 H 1 7.509 0.020 . 1 . . . . 15 A H2 . 17972 2 24 . 1 1 15 15 A H62 H 1 7.842 0.020 . 2 . . . . 15 A H62 . 17972 2 25 . 1 1 16 16 U H3 H 1 13.208 0.036 . 1 . . . . 16 U H3 . 17972 2 26 . 1 1 17 17 G H1 H 1 11.542 0.001 . 1 . . . . 17 G H1 . 17972 2 27 . 1 1 17 17 G H21 H 1 7.775 0.020 . 2 . . . . 17 G H21 . 17972 2 28 . 1 1 17 17 G H22 H 1 6.002 0.005 . 2 . . . . 17 G H22 . 17972 2 29 . 1 1 18 18 A H2 H 1 7.499 0.004 . 1 . . . . 18 A H2 . 17972 2 30 . 1 1 19 19 U H3 H 1 13.849 0.031 . 1 . . . . 19 U H3 . 17972 2 31 . 1 1 20 20 C H41 H 1 7.845 0.017 . 2 . . . . 20 C H41 . 17972 2 32 . 1 1 20 20 C H42 H 1 6.688 0.008 . 2 . . . . 20 C H42 . 17972 2 33 . 1 1 21 21 A H1' H 1 5.690 0.020 . 1 . . . . 21 A H1' . 17972 2 34 . 1 1 21 21 A H61 H 1 7.753 0.020 . 2 . . . . 21 A H61 . 17972 2 35 . 1 1 22 22 G H1 H 1 13.188 0.005 . 1 . . . . 22 G H1 . 17972 2 36 . 1 1 22 22 G H21 H 1 8.354 0.001 . 2 . . . . 22 G H21 . 17972 2 37 . 1 1 24 24 C H1' H 1 5.636 0.020 . 1 . . . . 24 C H1' . 17972 2 stop_ save_