data_31009 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31009 _Entry.Title ; DENV1 SLA three-way junction RNA (DenvSLAsh) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-06 _Entry.Accession_date 2022-04-06 _Entry.Last_release_date 2022-05-09 _Entry.Original_release_date 2022-05-09 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Y. Sun Y. T. . . 31009 2 G. Varani G. . . . 31009 3 . 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . . . . 31009 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID "5' UTR" . 31009 'NS5 promoter' . 31009 RNA . 31009 SLA . 31009 flavivirus . 31009 'viral replication' . 31009 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31009 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 206 31009 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 . . 2022-11-01 2022-04-06 update BMRB 'update entry citation' 31009 1 . . 2022-06-30 2022-04-06 original author 'original release' 31009 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7UMD 'BMRB Entry Tracking System' 31009 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31009 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35750488 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of the Dengue Virus RNA Promoter ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev RNA _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 9 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1210 _Citation.Page_last 1223 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Y. Sun Y. T. . . 31009 1 2 G. Varani G. . . . 31009 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31009 _Assembly.ID 1 _Assembly.Name 'RNA (40-MER)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31009 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31009 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGACGUGGACCGACUUCGGU CGGAAGGAAACUUAACGUCC ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 40 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12929.753 _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 . 31009 1 2 . G . 31009 1 3 . A . 31009 1 4 . C . 31009 1 5 . G . 31009 1 6 . U . 31009 1 7 . G . 31009 1 8 . G . 31009 1 9 . A . 31009 1 10 . C . 31009 1 11 . C . 31009 1 12 . G . 31009 1 13 . A . 31009 1 14 . C . 31009 1 15 . U . 31009 1 16 . U . 31009 1 17 . C . 31009 1 18 . G . 31009 1 19 . G . 31009 1 20 . U . 31009 1 21 . C . 31009 1 22 . G . 31009 1 23 . G . 31009 1 24 . A . 31009 1 25 . A . 31009 1 26 . G . 31009 1 27 . G . 31009 1 28 . A . 31009 1 29 . A . 31009 1 30 . A . 31009 1 31 . C . 31009 1 32 . U . 31009 1 33 . U . 31009 1 34 . A . 31009 1 35 . A . 31009 1 36 . C . 31009 1 37 . G . 31009 1 38 . U . 31009 1 39 . C . 31009 1 40 . C . 31009 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 31009 1 . G 2 2 31009 1 . A 3 3 31009 1 . C 4 4 31009 1 . G 5 5 31009 1 . U 6 6 31009 1 . G 7 7 31009 1 . G 8 8 31009 1 . A 9 9 31009 1 . C 10 10 31009 1 . C 11 11 31009 1 . G 12 12 31009 1 . A 13 13 31009 1 . C 14 14 31009 1 . U 15 15 31009 1 . U 16 16 31009 1 . C 17 17 31009 1 . G 18 18 31009 1 . G 19 19 31009 1 . U 20 20 31009 1 . C 21 21 31009 1 . G 22 22 31009 1 . G 23 23 31009 1 . A 24 24 31009 1 . A 25 25 31009 1 . G 26 26 31009 1 . G 27 27 31009 1 . A 28 28 31009 1 . A 29 29 31009 1 . A 30 30 31009 1 . C 31 31 31009 1 . U 32 32 31009 1 . U 33 33 31009 1 . A 34 34 31009 1 . A 35 35 31009 1 . C 36 36 31009 1 . G 37 37 31009 1 . U 38 38 31009 1 . C 39 39 31009 1 . C 40 40 31009 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 31009 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 11053 organism . 'Dengue virus 1' 'Dengue virus 1' . . Viruses . Flavivirus 'Dengue virus 1' . . . . . . . . . . . . . 31009 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 31009 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 31009 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31009 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM RNA (40-MER), 10 mM potassium phosphate, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 (40-MER)' 'natural abundance' 1 $assembly 1 $entity_1 . . 1 . . mM . . . . 31009 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 31009 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31009 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM RNA (40-MER), 10 mM potassium phosphate, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (40-MER)' 'natural abundance' 1 $assembly 1 $entity_1 . . 1 . . mM . . . . 31009 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 31009 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 31009 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-2H] RNA (40-MER), 10 mM potassium phosphate, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'RNA (40-MER)' [U-2H] 1 $assembly 1 $entity_1 . . 1 . . mM . . . . 31009 3 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 31009 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 31009 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 31009 1 pH 6.5 . pH 31009 1 pressure 1 . atm 31009 1 temperature 298 . K 31009 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31009 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31009 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31009 1 processing . 31009 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31009 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Lee W, Tonelli M, Markley JL' . . 31009 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 31009 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31009 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31009 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31009 3 'structure calculation' . 31009 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 31009 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31009 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 31009 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _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 31009 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 31009 1 2 NMR_spectrometer_2 Bruker 'AVANCE III' . 700 . . . 31009 1 3 NMR_spectrometer_3 Bruker 'AVANCE III' . 800 . . . 31009 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 31009 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31009 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31009 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 31009 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31009 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31009 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31009 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 31009 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1.0 . . . . . 31009 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 31009 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 31009 1 2 '2D 1H-1H TOCSY' . . . 31009 1 3 '2D 1H-1H NOESY' . . . 31009 1 4 '2D 1H-1H NOESY' . . . 31009 1 5 '2D 1H-1H TOCSY' . . . 31009 1 6 '2D 1H-1H NOESY' . . . 31009 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 G H1' H 1 5.696 0.07 . . . . . . A 1 G H1' . 31009 1 2 . 1 . 1 1 1 G H3' H 1 4.604 0.08 . . . . . . A 1 G H3' . 31009 1 3 . 1 . 1 1 1 G H4' H 1 4.464 0.00 . . . . . . A 1 G H4' . 31009 1 4 . 1 . 1 1 1 G H5' H 1 4.155 0.00 . . . . . . A 1 G H5' . 31009 1 5 . 1 . 1 1 1 G H5'' H 1 4.269 0.00 . . . . . . A 1 G H5'' . 31009 1 6 . 1 . 1 1 1 G H8 H 1 8.026 0.07 . . . . . . A 1 G H8 . 31009 1 7 . 1 . 1 1 1 G HO2' H 1 4.825 0.06 . . . . . . A 1 G HO2' . 31009 1 8 . 1 . 1 2 2 G H1 H 1 12.285 0.00 . . . . . . A 2 G H1 . 31009 1 9 . 1 . 1 2 2 G H1' H 1 5.774 0.07 . . . . . . A 2 G H1' . 31009 1 10 . 1 . 1 2 2 G H3' H 1 4.503 0.00 . . . . . . A 2 G H3' . 31009 1 11 . 1 . 1 2 2 G H5' H 1 4.236 0.00 . . . . . . A 2 G H5' . 31009 1 12 . 1 . 1 2 2 G H8 H 1 7.479 0.07 . . . . . . A 2 G H8 . 31009 1 13 . 1 . 1 2 2 G HO2' H 1 4.558 0.07 . . . . . . A 2 G HO2' . 31009 1 14 . 1 . 1 3 3 A H1' H 1 5.890 0.08 . . . . . . A 3 A H1' . 31009 1 15 . 1 . 1 3 3 A H2 H 1 7.523 0.00 . . . . . . A 3 A H2 . 31009 1 16 . 1 . 1 3 3 A H5' H 1 4.550 0.00 . . . . . . A 3 A H5' . 31009 1 17 . 1 . 1 3 3 A H8 H 1 7.769 0.08 . . . . . . A 3 A H8 . 31009 1 18 . 1 . 1 3 3 A HO2' H 1 4.478 0.06 . . . . . . A 3 A HO2' . 31009 1 19 . 1 . 1 4 4 C H1' H 1 5.247 0.08 . . . . . . A 4 C H1' . 31009 1 20 . 1 . 1 4 4 C H3' H 1 4.292 0.00 . . . . . . A 4 C H3' . 31009 1 21 . 1 . 1 4 4 C H5 H 1 5.090 0.08 . . . . . . A 4 C H5 . 31009 1 22 . 1 . 1 4 4 C H6 H 1 7.203 0.08 . . . . . . A 4 C H6 . 31009 1 23 . 1 . 1 4 4 C H41 H 1 8.043 0.00 . . . . . . A 4 C H41 . 31009 1 24 . 1 . 1 4 4 C H42 H 1 6.598 0.00 . . . . . . A 4 C H42 . 31009 1 25 . 1 . 1 4 4 C HO2' H 1 4.321 0.06 . . . . . . A 4 C HO2' . 31009 1 26 . 1 . 1 5 5 G H1 H 1 12.630 0.00 . . . . . . A 5 G H1 . 31009 1 27 . 1 . 1 5 5 G H1' H 1 5.624 0.08 . . . . . . A 5 G H1' . 31009 1 28 . 1 . 1 5 5 G H8 H 1 7.393 0.08 . . . . . . A 5 G H8 . 31009 1 29 . 1 . 1 5 5 G HO2' H 1 4.324 0.06 . . . . . . A 5 G HO2' . 31009 1 30 . 1 . 1 6 6 U H1' H 1 5.518 0.07 . . . . . . A 6 U H1' . 31009 1 31 . 1 . 1 6 6 U H5 H 1 4.941 0.07 . . . . . . A 6 U H5 . 31009 1 32 . 1 . 1 6 6 U H6 H 1 7.393 0.07 . . . . . . A 6 U H6 . 31009 1 33 . 1 . 1 6 6 U HO2' H 1 4.309 0.06 . . . . . . A 6 U HO2' . 31009 1 34 . 1 . 1 7 7 G H1' H 1 5.503 0.06 . . . . . . A 7 G H1' . 31009 1 35 . 1 . 1 7 7 G H3' H 1 4.554 0.00 . . . . . . A 7 G H3' . 31009 1 36 . 1 . 1 7 7 G H8 H 1 7.603 0.06 . . . . . . A 7 G H8 . 31009 1 37 . 1 . 1 7 7 G HO2' H 1 4.367 0.05 . . . . . . A 7 G HO2' . 31009 1 38 . 1 . 1 8 8 G H1' H 1 5.364 0.06 . . . . . . A 8 G H1' . 31009 1 39 . 1 . 1 8 8 G H3' H 1 4.523 0.00 . . . . . . A 8 G H3' . 31009 1 40 . 1 . 1 8 8 G H4' H 1 4.321 0.00 . . . . . . A 8 G H4' . 31009 1 41 . 1 . 1 8 8 G H8 H 1 7.560 0.07 . . . . . . A 8 G H8 . 31009 1 42 . 1 . 1 8 8 G HO2' H 1 4.397 0.06 . . . . . . A 8 G HO2' . 31009 1 43 . 1 . 1 9 9 A H1' H 1 5.872 0.06 . . . . . . A 9 A H1' . 31009 1 44 . 1 . 1 9 9 A H3' H 1 4.730 0.00 . . . . . . A 9 A H3' . 31009 1 45 . 1 . 1 9 9 A H4' H 1 4.469 0.00 . . . . . . A 9 A H4' . 31009 1 46 . 1 . 1 9 9 A H8 H 1 8.074 0.07 . . . . . . A 9 A H8 . 31009 1 47 . 1 . 1 9 9 A HO2' H 1 4.598 0.06 . . . . . . A 9 A HO2' . 31009 1 48 . 1 . 1 10 10 C H1' H 1 5.297 0.07 . . . . . . A 10 C H1' . 31009 1 49 . 1 . 1 10 10 C H3' H 1 4.333 0.07 . . . . . . A 10 C H3' . 31009 1 50 . 1 . 1 10 10 C H4' H 1 4.418 0.00 . . . . . . A 10 C H4' . 31009 1 51 . 1 . 1 10 10 C H5 H 1 5.658 0.09 . . . . . . A 10 C H5 . 31009 1 52 . 1 . 1 10 10 C H6 H 1 7.723 0.08 . . . . . . A 10 C H6 . 31009 1 53 . 1 . 1 10 10 C H41 H 1 8.019 0.00 . . . . . . A 10 C H41 . 31009 1 54 . 1 . 1 10 10 C H42 H 1 6.612 0.00 . . . . . . A 10 C H42 . 31009 1 55 . 1 . 1 10 10 C HO2' H 1 4.287 0.06 . . . . . . A 10 C HO2' . 31009 1 56 . 1 . 1 11 11 C H1' H 1 5.359 0.07 . . . . . . A 11 C H1' . 31009 1 57 . 1 . 1 11 11 C H3' H 1 4.377 0.00 . . . . . . A 11 C H3' . 31009 1 58 . 1 . 1 11 11 C H5 H 1 5.359 0.08 . . . . . . A 11 C H5 . 31009 1 59 . 1 . 1 11 11 C H6 H 1 7.639 0.07 . . . . . . A 11 C H6 . 31009 1 60 . 1 . 1 11 11 C H41 H 1 7.983 0.00 . . . . . . A 11 C H41 . 31009 1 61 . 1 . 1 11 11 C H42 H 1 6.467 0.00 . . . . . . A 11 C H42 . 31009 1 62 . 1 . 1 11 11 C HO2' H 1 4.448 0.06 . . . . . . A 11 C HO2' . 31009 1 63 . 1 . 1 12 12 G H1 H 1 11.722 0.00 . . . . . . A 12 G H1 . 31009 1 64 . 1 . 1 12 12 G H1' H 1 5.550 0.06 . . . . . . A 12 G H1' . 31009 1 65 . 1 . 1 12 12 G H5' H 1 4.043 0.00 . . . . . . A 12 G H5' . 31009 1 66 . 1 . 1 12 12 G H8 H 1 7.428 0.07 . . . . . . A 12 G H8 . 31009 1 67 . 1 . 1 12 12 G HO2' H 1 4.457 0.06 . . . . . . A 12 G HO2' . 31009 1 68 . 1 . 1 13 13 A H1' H 1 5.850 0.07 . . . . . . A 13 A H1' . 31009 1 69 . 1 . 1 13 13 A H2 H 1 7.503 0.00 . . . . . . A 13 A H2 . 31009 1 70 . 1 . 1 13 13 A H3' H 1 4.407 0.00 . . . . . . A 13 A H3' . 31009 1 71 . 1 . 1 13 13 A H5' H 1 4.549 0.00 . . . . . . A 13 A H5' . 31009 1 72 . 1 . 1 13 13 A H8 H 1 7.799 0.08 . . . . . . A 13 A H8 . 31009 1 73 . 1 . 1 13 13 A HO2' H 1 4.469 0.06 . . . . . . A 13 A HO2' . 31009 1 74 . 1 . 1 14 14 C H1' H 1 5.214 0.08 . . . . . . A 14 C H1' . 31009 1 75 . 1 . 1 14 14 C H3' H 1 4.289 0.06 . . . . . . A 14 C H3' . 31009 1 76 . 1 . 1 14 14 C H4' H 1 4.052 0.00 . . . . . . A 14 C H4' . 31009 1 77 . 1 . 1 14 14 C H5 H 1 4.989 0.09 . . . . . . A 14 C H5 . 31009 1 78 . 1 . 1 14 14 C H6 H 1 7.102 0.08 . . . . . . A 14 C H6 . 31009 1 79 . 1 . 1 14 14 C H41 H 1 8.242 0.00 . . . . . . A 14 C H41 . 31009 1 80 . 1 . 1 14 14 C H42 H 1 6.731 0.00 . . . . . . A 14 C H42 . 31009 1 81 . 1 . 1 14 14 C HO2' H 1 4.240 0.06 . . . . . . A 14 C HO2' . 31009 1 82 . 1 . 1 15 15 U H1' H 1 5.533 0.06 . . . . . . A 15 U H1' . 31009 1 83 . 1 . 1 15 15 U H5 H 1 5.497 0.08 . . . . . . A 15 U H5 . 31009 1 84 . 1 . 1 15 15 U H6 H 1 7.623 0.07 . . . . . . A 15 U H6 . 31009 1 85 . 1 . 1 15 15 U HO2' H 1 3.652 0.06 . . . . . . A 15 U HO2' . 31009 1 86 . 1 . 1 16 16 U H1' H 1 5.977 0.07 . . . . . . A 16 U H1' . 31009 1 87 . 1 . 1 16 16 U H3' H 1 3.932 0.00 . . . . . . A 16 U H3' . 31009 1 88 . 1 . 1 16 16 U H4' H 1 4.360 0.07 . . . . . . A 16 U H4' . 31009 1 89 . 1 . 1 16 16 U H5 H 1 5.723 0.08 . . . . . . A 16 U H5 . 31009 1 90 . 1 . 1 16 16 U H6 H 1 7.904 0.07 . . . . . . A 16 U H6 . 31009 1 91 . 1 . 1 16 16 U HO2' H 1 4.542 0.07 . . . . . . A 16 U HO2' . 31009 1 92 . 1 . 1 17 17 C H1' H 1 5.830 0.08 . . . . . . A 17 C H1' . 31009 1 93 . 1 . 1 17 17 C H3' H 1 4.371 0.06 . . . . . . A 17 C H3' . 31009 1 94 . 1 . 1 17 17 C H4' H 1 3.678 0.07 . . . . . . A 17 C H4' . 31009 1 95 . 1 . 1 17 17 C H5 H 1 5.973 0.08 . . . . . . A 17 C H5 . 31009 1 96 . 1 . 1 17 17 C H6 H 1 7.577 0.07 . . . . . . A 17 C H6 . 31009 1 97 . 1 . 1 17 17 C HO2' H 1 3.977 0.07 . . . . . . A 17 C HO2' . 31009 1 98 . 1 . 1 18 18 G H1 H 1 9.636 0.00 . . . . . . A 18 G H1 . 31009 1 99 . 1 . 1 18 18 G H1' H 1 5.852 0.07 . . . . . . A 18 G H1' . 31009 1 100 . 1 . 1 18 18 G H3' H 1 5.516 0.07 . . . . . . A 18 G H3' . 31009 1 101 . 1 . 1 18 18 G H4' H 1 4.329 0.00 . . . . . . A 18 G H4' . 31009 1 102 . 1 . 1 18 18 G H8 H 1 7.752 0.06 . . . . . . A 18 G H8 . 31009 1 103 . 1 . 1 18 18 G H21 H 1 7.759 0.00 . . . . . . A 18 G H21 . 31009 1 104 . 1 . 1 18 18 G H22 H 1 6.396 0.00 . . . . . . A 18 G H22 . 31009 1 105 . 1 . 1 18 18 G HO2' H 1 4.700 0.07 . . . . . . A 18 G HO2' . 31009 1 106 . 1 . 1 19 19 G H1 H 1 13.213 0.00 . . . . . . A 19 G H1 . 31009 1 107 . 1 . 1 19 19 G H3' H 1 4.173 0.00 . . . . . . A 19 G H3' . 31009 1 108 . 1 . 1 19 19 G H5' H 1 4.413 0.00 . . . . . . A 19 G H5' . 31009 1 109 . 1 . 1 19 19 G H5'' H 1 4.305 0.00 . . . . . . A 19 G H5'' . 31009 1 110 . 1 . 1 19 19 G H8 H 1 8.216 0.07 . . . . . . A 19 G H8 . 31009 1 111 . 1 . 1 19 19 G HO2' H 1 4.310 0.07 . . . . . . A 19 G HO2' . 31009 1 112 . 1 . 1 20 20 U H1' H 1 5.429 0.08 . . . . . . A 20 U H1' . 31009 1 113 . 1 . 1 20 20 U H3 H 1 14.099 0.00 . . . . . . A 20 U H3 . 31009 1 114 . 1 . 1 20 20 U H5 H 1 4.950 0.08 . . . . . . A 20 U H5 . 31009 1 115 . 1 . 1 20 20 U H6 H 1 7.687 0.07 . . . . . . A 20 U H6 . 31009 1 116 . 1 . 1 20 20 U HO2' H 1 4.425 0.07 . . . . . . A 20 U HO2' . 31009 1 117 . 1 . 1 21 21 C H1' H 1 5.467 0.07 . . . . . . A 21 C H1' . 31009 1 118 . 1 . 1 21 21 C H5 H 1 5.507 0.08 . . . . . . A 21 C H5 . 31009 1 119 . 1 . 1 21 21 C H5' H 1 4.148 0.00 . . . . . . A 21 C H5' . 31009 1 120 . 1 . 1 21 21 C H6 H 1 7.678 0.08 . . . . . . A 21 C H6 . 31009 1 121 . 1 . 1 21 21 C H41 H 1 8.067 0.00 . . . . . . A 21 C H41 . 31009 1 122 . 1 . 1 21 21 C H42 H 1 6.548 0.00 . . . . . . A 21 C H42 . 31009 1 123 . 1 . 1 21 21 C HO2' H 1 4.455 0.07 . . . . . . A 21 C HO2' . 31009 1 124 . 1 . 1 22 22 G H1 H 1 11.939 0.00 . . . . . . A 22 G H1 . 31009 1 125 . 1 . 1 22 22 G H1' H 1 5.523 0.07 . . . . . . A 22 G H1' . 31009 1 126 . 1 . 1 22 22 G H3' H 1 4.372 0.00 . . . . . . A 22 G H3' . 31009 1 127 . 1 . 1 22 22 G H4' H 1 4.017 0.00 . . . . . . A 22 G H4' . 31009 1 128 . 1 . 1 22 22 G H8 H 1 7.384 0.07 . . . . . . A 22 G H8 . 31009 1 129 . 1 . 1 22 22 G HO2' H 1 4.508 0.06 . . . . . . A 22 G HO2' . 31009 1 130 . 1 . 1 23 23 G H1 H 1 12.278 0.00 . . . . . . A 23 G H1 . 31009 1 131 . 1 . 1 23 23 G H1' H 1 5.555 0.07 . . . . . . A 23 G H1' . 31009 1 132 . 1 . 1 23 23 G H3' H 1 4.338 0.07 . . . . . . A 23 G H3' . 31009 1 133 . 1 . 1 23 23 G H5' H 1 3.965 0.00 . . . . . . A 23 G H5' . 31009 1 134 . 1 . 1 23 23 G H8 H 1 6.973 0.07 . . . . . . A 23 G H8 . 31009 1 135 . 1 . 1 23 23 G HO2' H 1 4.474 0.06 . . . . . . A 23 G HO2' . 31009 1 136 . 1 . 1 24 24 A H1' H 1 5.692 0.07 . . . . . . A 24 A H1' . 31009 1 137 . 1 . 1 24 24 A H2 H 1 7.166 0.01 . . . . . . A 24 A H2 . 31009 1 138 . 1 . 1 24 24 A H8 H 1 7.610 0.07 . . . . . . A 24 A H8 . 31009 1 139 . 1 . 1 24 24 A HO2' H 1 4.450 0.05 . . . . . . A 24 A HO2' . 31009 1 140 . 1 . 1 25 25 A H1' H 1 5.544 0.06 . . . . . . A 25 A H1' . 31009 1 141 . 1 . 1 25 25 A H2 H 1 6.791 0.00 . . . . . . A 25 A H2 . 31009 1 142 . 1 . 1 25 25 A H8 H 1 7.662 0.06 . . . . . . A 25 A H8 . 31009 1 143 . 1 . 1 25 25 A HO2' H 1 4.179 0.07 . . . . . . A 25 A HO2' . 31009 1 144 . 1 . 1 26 26 G H1 H 1 12.239 0.07 . . . . . . A 26 G H1 . 31009 1 145 . 1 . 1 27 27 G H1' H 1 5.617 0.07 . . . . . . A 27 G H1' . 31009 1 146 . 1 . 1 27 27 G H8 H 1 8.108 0.07 . . . . . . A 27 G H8 . 31009 1 147 . 1 . 1 27 27 G HO2' H 1 4.596 0.06 . . . . . . A 27 G HO2' . 31009 1 148 . 1 . 1 28 28 A H1' H 1 5.468 0.06 . . . . . . A 28 A H1' . 31009 1 149 . 1 . 1 28 28 A H5' H 1 4.505 0.00 . . . . . . A 28 A H5' . 31009 1 150 . 1 . 1 28 28 A H8 H 1 7.880 0.07 . . . . . . A 28 A H8 . 31009 1 151 . 1 . 1 28 28 A HO2' H 1 4.364 0.06 . . . . . . A 28 A HO2' . 31009 1 152 . 1 . 1 29 29 A H1' H 1 5.779 0.06 . . . . . . A 29 A H1' . 31009 1 153 . 1 . 1 29 29 A H8 H 1 7.965 0.07 . . . . . . A 29 A H8 . 31009 1 154 . 1 . 1 29 29 A HO2' H 1 4.380 0.07 . . . . . . A 29 A HO2' . 31009 1 155 . 1 . 1 30 30 A H1' H 1 5.493 0.07 . . . . . . A 30 A H1' . 31009 1 156 . 1 . 1 30 30 A H4' H 1 4.337 0.00 . . . . . . A 30 A H4' . 31009 1 157 . 1 . 1 30 30 A H8 H 1 7.793 0.07 . . . . . . A 30 A H8 . 31009 1 158 . 1 . 1 30 30 A HO2' H 1 4.134 0.06 . . . . . . A 30 A HO2' . 31009 1 159 . 1 . 1 31 31 C H1' H 1 5.618 0.07 . . . . . . A 31 C H1' . 31009 1 160 . 1 . 1 31 31 C H3' H 1 4.056 0.07 . . . . . . A 31 C H3' . 31009 1 161 . 1 . 1 31 31 C H4' H 1 3.902 0.00 . . . . . . A 31 C H4' . 31009 1 162 . 1 . 1 31 31 C H5 H 1 5.391 0.08 . . . . . . A 31 C H5 . 31009 1 163 . 1 . 1 31 31 C H6 H 1 7.559 0.07 . . . . . . A 31 C H6 . 31009 1 164 . 1 . 1 31 31 C H41 H 1 8.012 0.00 . . . . . . A 31 C H41 . 31009 1 165 . 1 . 1 31 31 C H42 H 1 6.737 0.01 . . . . . . A 31 C H42 . 31009 1 166 . 1 . 1 31 31 C HO2' H 1 4.132 0.07 . . . . . . A 31 C HO2' . 31009 1 167 . 1 . 1 32 32 U H1' H 1 5.581 0.06 . . . . . . A 32 U H1' . 31009 1 168 . 1 . 1 32 32 U H3 H 1 13.432 0.00 . . . . . . A 32 U H3 . 31009 1 169 . 1 . 1 32 32 U H5 H 1 5.444 0.06 . . . . . . A 32 U H5 . 31009 1 170 . 1 . 1 32 32 U H6 H 1 7.635 0.07 . . . . . . A 32 U H6 . 31009 1 171 . 1 . 1 32 32 U HO2' H 1 4.137 0.08 . . . . . . A 32 U HO2' . 31009 1 172 . 1 . 1 33 33 U H1' H 1 5.768 0.07 . . . . . . A 33 U H1' . 31009 1 173 . 1 . 1 33 33 U H3 H 1 13.644 0.00 . . . . . . A 33 U H3 . 31009 1 174 . 1 . 1 33 33 U H5 H 1 5.587 0.06 . . . . . . A 33 U H5 . 31009 1 175 . 1 . 1 33 33 U H6 H 1 7.656 0.06 . . . . . . A 33 U H6 . 31009 1 176 . 1 . 1 33 33 U HO2' H 1 4.236 0.06 . . . . . . A 33 U HO2' . 31009 1 177 . 1 . 1 34 34 A H1' H 1 5.827 0.07 . . . . . . A 34 A H1' . 31009 1 178 . 1 . 1 34 34 A H3' H 1 4.533 0.00 . . . . . . A 34 A H3' . 31009 1 179 . 1 . 1 34 34 A H8 H 1 7.846 0.07 . . . . . . A 34 A H8 . 31009 1 180 . 1 . 1 34 34 A HO2' H 1 4.725 0.07 . . . . . . A 34 A HO2' . 31009 1 181 . 1 . 1 35 35 A H8 H 1 7.972 0.07 . . . . . . A 35 A H8 . 31009 1 182 . 1 . 1 35 35 A HO2' H 1 4.459 0.06 . . . . . . A 35 A HO2' . 31009 1 183 . 1 . 1 36 36 C H1' H 1 5.323 0.07 . . . . . . A 36 C H1' . 31009 1 184 . 1 . 1 36 36 C H3' H 1 4.290 0.08 . . . . . . A 36 C H3' . 31009 1 185 . 1 . 1 36 36 C H5 H 1 5.090 0.08 . . . . . . A 36 C H5 . 31009 1 186 . 1 . 1 36 36 C H6 H 1 7.271 0.08 . . . . . . A 36 C H6 . 31009 1 187 . 1 . 1 36 36 C H41 H 1 8.050 0.00 . . . . . . A 36 C H41 . 31009 1 188 . 1 . 1 36 36 C H42 H 1 6.517 0.00 . . . . . . A 36 C H42 . 31009 1 189 . 1 . 1 36 36 C HO2' H 1 4.384 0.06 . . . . . . A 36 C HO2' . 31009 1 190 . 1 . 1 37 37 G H1 H 1 12.738 0.00 . . . . . . A 37 G H1 . 31009 1 191 . 1 . 1 37 37 G H1' H 1 5.619 0.08 . . . . . . A 37 G H1' . 31009 1 192 . 1 . 1 37 37 G H5' H 1 4.326 0.00 . . . . . . A 37 G H5' . 31009 1 193 . 1 . 1 37 37 G H5'' H 1 4.013 0.00 . . . . . . A 37 G H5'' . 31009 1 194 . 1 . 1 37 37 G H8 H 1 7.458 0.08 . . . . . . A 37 G H8 . 31009 1 195 . 1 . 1 37 37 G HO2' H 1 4.392 0.07 . . . . . . A 37 G HO2' . 31009 1 196 . 1 . 1 38 38 U H1' H 1 5.451 0.07 . . . . . . A 38 U H1' . 31009 1 197 . 1 . 1 38 38 U H3 H 1 14.092 0.01 . . . . . . A 38 U H3 . 31009 1 198 . 1 . 1 38 38 U H5 H 1 4.958 0.08 . . . . . . A 38 U H5 . 31009 1 199 . 1 . 1 38 38 U H6 H 1 7.709 0.07 . . . . . . A 38 U H6 . 31009 1 200 . 1 . 1 38 38 U HO2' H 1 4.386 0.07 . . . . . . A 38 U HO2' . 31009 1 201 . 1 . 1 39 39 C H1' H 1 5.535 0.06 . . . . . . A 39 C H1' . 31009 1 202 . 1 . 1 39 39 C H5 H 1 5.506 0.08 . . . . . . A 39 C H5 . 31009 1 203 . 1 . 1 39 39 C H6 H 1 7.782 0.08 . . . . . . A 39 C H6 . 31009 1 204 . 1 . 1 39 39 C H41 H 1 8.241 0.00 . . . . . . A 39 C H41 . 31009 1 205 . 1 . 1 39 39 C H42 H 1 6.727 0.00 . . . . . . A 39 C H42 . 31009 1 206 . 1 . 1 39 39 C HO2' H 1 4.438 0.06 . . . . . . A 39 C HO2' . 31009 1 stop_ save_