data_30262 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30262 _Entry.Title ; HnRNP A1 Alters the Conformation of a Conserved Enterovirus IRES Domain to Stimulate Viral Translation ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-03-01 _Entry.Accession_date 2017-03-01 _Entry.Last_release_date 2017-07-06 _Entry.Original_release_date 2017-07-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 . 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 M. Tolbert M. . . . 30262 2 C. Morgan C. E. . . 30262 3 B. Tolbert B. S. . . 30262 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID RNA . 30262 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30262 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 110 30262 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 . . 2017-11-22 2017-03-01 update BMRB 'update entry citation' 30262 1 . . 2017-07-07 2017-03-01 original author 'original release' 30262 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5V17 'BMRB Entry Tracking System' 30262 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30262 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.jmb.2017.06.007 _Citation.PubMed_ID 28625847 _Citation.Full_citation . _Citation.Title ; HnRNP A1 Alters the Structure of a Conserved Enterovirus IRES Domain to Stimulate Viral Translation. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 429 _Citation.Journal_issue 19 _Citation.Journal_ASTM JMOBAK _Citation.Journal_ISSN 1089-8638 _Citation.Journal_CSD 0070 _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 2841 _Citation.Page_last 2858 _Citation.Year 2017 _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 M. Tolbert M. . . . 30262 1 2 C. Morgan C. E. . . 30262 1 3 M. Pollum M. . . . 30262 1 4 C. Crespo-Hernandez C. E. . . 30262 1 5 M. Li M. L. . . 30262 1 6 G. Brewer G. . . . 30262 1 7 B. Tolbert B. S. . . 30262 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30262 _Assembly.ID 1 _Assembly.Name 'RNA (41-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 'not present' _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 entity_1 1 $entity_1 A A yes . . . . . . 30262 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30262 _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 ; GGAUCAACCCCAGGUGUGGC ACACCAGUCAUACCUUGAUC C ; _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 41 _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 13075.822 _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 . 30262 1 2 . G . 30262 1 3 . A . 30262 1 4 . U . 30262 1 5 . C . 30262 1 6 . A . 30262 1 7 . A . 30262 1 8 . C . 30262 1 9 . C . 30262 1 10 . C . 30262 1 11 . C . 30262 1 12 . A . 30262 1 13 . G . 30262 1 14 . G . 30262 1 15 . U . 30262 1 16 . G . 30262 1 17 . U . 30262 1 18 . G . 30262 1 19 . G . 30262 1 20 . C . 30262 1 21 . A . 30262 1 22 . C . 30262 1 23 . A . 30262 1 24 . C . 30262 1 25 . C . 30262 1 26 . A . 30262 1 27 . G . 30262 1 28 . U . 30262 1 29 . C . 30262 1 30 . A . 30262 1 31 . U . 30262 1 32 . A . 30262 1 33 . C . 30262 1 34 . C . 30262 1 35 . U . 30262 1 36 . U . 30262 1 37 . G . 30262 1 38 . A . 30262 1 39 . U . 30262 1 40 . C . 30262 1 41 . C . 30262 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 30262 1 . G 2 2 30262 1 . A 3 3 30262 1 . U 4 4 30262 1 . C 5 5 30262 1 . A 6 6 30262 1 . A 7 7 30262 1 . C 8 8 30262 1 . C 9 9 30262 1 . C 10 10 30262 1 . C 11 11 30262 1 . A 12 12 30262 1 . G 13 13 30262 1 . G 14 14 30262 1 . U 15 15 30262 1 . G 16 16 30262 1 . U 17 17 30262 1 . G 18 18 30262 1 . G 19 19 30262 1 . C 20 20 30262 1 . A 21 21 30262 1 . C 22 22 30262 1 . A 23 23 30262 1 . C 24 24 30262 1 . C 25 25 30262 1 . A 26 26 30262 1 . G 27 27 30262 1 . U 28 28 30262 1 . C 29 29 30262 1 . A 30 30 30262 1 . U 31 31 30262 1 . A 32 32 30262 1 . C 33 33 30262 1 . C 34 34 30262 1 . U 35 35 30262 1 . U 36 36 30262 1 . G 37 37 30262 1 . A 38 38 30262 1 . U 39 39 30262 1 . C 40 40 30262 1 . C 41 41 30262 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 30262 _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 . 39054 organism . 'Enterovirus A71' 'Enterovirus A71' . . Viruses . Enterovirus A71 . . . . . . . . . . . . . 30262 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 30262 _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' . . . . . . . . . . . . . . . . 30262 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30262 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '220 uM Fully protonated rNTP, 100% D20' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D20' _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 rNTP 'Fully protonated' . . 1 $entity_1 . . 220 . . uM 0.2 . . . 30262 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30262 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 uM Fully protonated rNTP, 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 rNTP 'Fully protonated' . . 1 $entity_1 . . 300 . . uM 0.2 . . . 30262 2 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 30262 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 30262 1 pH 6.5 . pH 30262 1 pressure 1 . . 30262 1 temperature 303 . K 30262 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30262 _Software.ID 1 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 30262 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30262 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30262 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30262 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30262 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30262 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30262 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30262 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30262 _Software.ID 4 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 30262 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30262 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30262 _Software.ID 5 _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' . . 30262 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 30262 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30262 _Software.ID 6 _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' . . 30262 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30262 6 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 30262 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30262 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 30262 _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 NMR_spectrometer_1 Bruker Avance . 800 . . . 30262 1 2 NMR_spectrometer_2 Bruker Avance . 900 . . . 30262 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 30262 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30262 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30262 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 30262 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30262 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30262 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 30262 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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' . . . 30262 1 2 '2D 1H-1H TOCSY' . . . 30262 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.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 5.78306 . . . . . . . A 1 G H1' . 30262 1 2 . 1 1 1 1 G H8 H 1 8.09749 . . . . . . . A 1 G H8 . 30262 1 3 . 1 1 2 2 G H1' H 1 5.86916 . . . . . . . A 2 G H1' . 30262 1 4 . 1 1 2 2 G H2' H 1 4.91083 . . . . . . . A 2 G H2' . 30262 1 5 . 1 1 2 2 G H8 H 1 7.55435 . . . . . . . A 2 G H8 . 30262 1 6 . 1 1 3 3 A H1' H 1 5.96046 . . . . . . . A 3 A H1' . 30262 1 7 . 1 1 3 3 A H2 H 1 7.71792 . . . . . . . A 3 A H2 . 30262 1 8 . 1 1 3 3 A H8 H 1 7.75835 . . . . . . . A 3 A H8 . 30262 1 9 . 1 1 4 4 U H1' H 1 5.43714 . . . . . . . A 4 U H1' . 30262 1 10 . 1 1 4 4 U H5 H 1 4.97534 . . . . . . . A 4 U H5 . 30262 1 11 . 1 1 4 4 U H6 H 1 7.50715 . . . . . . . A 4 U H6 . 30262 1 12 . 1 1 5 5 C H1' H 1 5.50082 . . . . . . . A 5 C H1' . 30262 1 13 . 1 1 5 5 C H5 H 1 5.5282 . . . . . . . A 5 C H5 . 30262 1 14 . 1 1 5 5 C H6 H 1 7.69332 . . . . . . . A 5 C H6 . 30262 1 15 . 1 1 6 6 A H1' H 1 5.74438 . . . . . . . A 6 A H1' . 30262 1 16 . 1 1 6 6 A H2 H 1 6.85076 . . . . . . . A 6 A H2 . 30262 1 17 . 1 1 6 6 A H8 H 1 7.8475 . . . . . . . A 6 A H8 . 30262 1 18 . 1 1 7 7 A H1' H 1 5.48474 . . . . . . . A 7 A H1' . 30262 1 19 . 1 1 7 7 A H2 H 1 7.61829 . . . . . . . A 7 A H2 . 30262 1 20 . 1 1 7 7 A H8 H 1 7.40264 . . . . . . . A 7 A H8 . 30262 1 21 . 1 1 8 8 C H1' H 1 5.31679 . . . . . . . A 8 C H1' . 30262 1 22 . 1 1 8 8 C H5 H 1 5.15544 . . . . . . . A 8 C H5 . 30262 1 23 . 1 1 8 8 C H6 H 1 7.24031 . . . . . . . A 8 C H6 . 30262 1 24 . 1 1 9 9 C H1' H 1 5.57638 . . . . . . . A 9 C H1' . 30262 1 25 . 1 1 9 9 C H5 H 1 5.67266 . . . . . . . A 9 C H5 . 30262 1 26 . 1 1 9 9 C H6 H 1 7.59917 . . . . . . . A 9 C H6 . 30262 1 27 . 1 1 10 10 C H5 H 1 5.46037 . . . . . . . A 10 C H5 . 30262 1 28 . 1 1 10 10 C H6 H 1 7.60906 . . . . . . . A 10 C H6 . 30262 1 29 . 1 1 11 11 C H1' H 1 5.58128 . . . . . . . A 11 C H1' . 30262 1 30 . 1 1 11 11 C H5 H 1 5.59437 . . . . . . . A 11 C H5 . 30262 1 31 . 1 1 11 11 C H6 H 1 7.62979 . . . . . . . A 11 C H6 . 30262 1 32 . 1 1 12 12 A H1' H 1 5.88809 . . . . . . . A 12 A H1' . 30262 1 33 . 1 1 12 12 A H2 H 1 7.79286 . . . . . . . A 12 A H2 . 30262 1 34 . 1 1 12 12 A H8 H 1 8.215 . . . . . . . A 12 A H8 . 30262 1 35 . 1 1 13 13 G H1' H 1 5.68433 . . . . . . . A 13 G H1' . 30262 1 36 . 1 1 13 13 G H8 H 1 7.3128 . . . . . . . A 13 G H8 . 30262 1 37 . 1 1 14 14 G H1' H 1 5.78008 . . . . . . . A 14 G H1' . 30262 1 38 . 1 1 14 14 G H8 H 1 7.18711 . . . . . . . A 14 G H8 . 30262 1 39 . 1 1 15 15 U H1' H 1 5.6296 . . . . . . . A 15 U H1' . 30262 1 40 . 1 1 15 15 U H5 H 1 5.13142 . . . . . . . A 15 U H5 . 30262 1 41 . 1 1 15 15 U H6 H 1 7.61039 . . . . . . . A 15 U H6 . 30262 1 42 . 1 1 16 16 G H1' H 1 5.74606 . . . . . . . A 16 G H1' . 30262 1 43 . 1 1 16 16 G H8 H 1 7.69302 . . . . . . . A 16 G H8 . 30262 1 44 . 1 1 17 17 U H1' H 1 5.41042 . . . . . . . A 17 U H1' . 30262 1 45 . 1 1 17 17 U H6 H 1 7.60515 . . . . . . . A 17 U H6 . 30262 1 46 . 1 1 18 18 G H1' H 1 5.77563 . . . . . . . A 18 G H1' . 30262 1 47 . 1 1 18 18 G H8 H 1 7.677 . . . . . . . A 18 G H8 . 30262 1 48 . 1 1 19 19 G H1' H 1 5.66206 . . . . . . . A 19 G H1' . 30262 1 49 . 1 1 19 19 G H8 H 1 7.15017 . . . . . . . A 19 G H8 . 30262 1 50 . 1 1 20 20 C H1' H 1 5.40958 . . . . . . . A 20 C H1' . 30262 1 51 . 1 1 20 20 C H5 H 1 4.97534 . . . . . . . A 20 C H5 . 30262 1 52 . 1 1 20 20 C H6 H 1 7.34492 . . . . . . . A 20 C H6 . 30262 1 53 . 1 1 21 21 A H1' H 1 5.83353 . . . . . . . A 21 A H1' . 30262 1 54 . 1 1 21 21 A H2 H 1 8.1333 . . . . . . . A 21 A H2 . 30262 1 55 . 1 1 21 21 A H8 H 1 7.96549 . . . . . . . A 21 A H8 . 30262 1 56 . 1 1 22 22 C H1' H 1 5.34834 . . . . . . . A 22 C H1' . 30262 1 57 . 1 1 22 22 C H5 H 1 5.3706 . . . . . . . A 22 C H5 . 30262 1 58 . 1 1 22 22 C H6 H 1 7.38427 . . . . . . . A 22 C H6 . 30262 1 59 . 1 1 23 23 A H1' H 1 5.85468 . . . . . . . A 23 A H1' . 30262 1 60 . 1 1 23 23 A H2 H 1 7.99199 . . . . . . . A 23 A H2 . 30262 1 61 . 1 1 23 23 A H8 H 1 8.26038 . . . . . . . A 23 A H8 . 30262 1 62 . 1 1 24 24 C H1' H 1 5.30798 . . . . . . . A 24 C H1' . 30262 1 63 . 1 1 24 24 C H5 H 1 5.24151 . . . . . . . A 24 C H5 . 30262 1 64 . 1 1 24 24 C H6 H 1 7.40672 . . . . . . . A 24 C H6 . 30262 1 65 . 1 1 25 25 C H1' H 1 5.54323 . . . . . . . A 25 C H1' . 30262 1 66 . 1 1 25 25 C H5 H 1 5.58766 . . . . . . . A 25 C H5 . 30262 1 67 . 1 1 25 25 C H6 H 1 7.68191 . . . . . . . A 25 C H6 . 30262 1 68 . 1 1 26 26 A H1' H 1 5.94264 . . . . . . . A 26 A H1' . 30262 1 69 . 1 1 26 26 A H2 H 1 7.48949 . . . . . . . A 26 A H2 . 30262 1 70 . 1 1 26 26 A H8 H 1 8.20497 . . . . . . . A 26 A H8 . 30262 1 71 . 1 1 27 27 G H1' H 1 5.42267 . . . . . . . A 27 G H1' . 30262 1 72 . 1 1 27 27 G H8 H 1 7.5329 . . . . . . . A 27 G H8 . 30262 1 73 . 1 1 28 28 U H1' H 1 5.4061 . . . . . . . A 28 U H1' . 30262 1 74 . 1 1 28 28 U H5 H 1 5.30111 . . . . . . . A 28 U H5 . 30262 1 75 . 1 1 28 28 U H6 H 1 7.68944 . . . . . . . A 28 U H6 . 30262 1 76 . 1 1 29 29 C H1' H 1 5.58332 . . . . . . . A 29 C H1' . 30262 1 77 . 1 1 29 29 C H5 H 1 5.64634 . . . . . . . A 29 C H5 . 30262 1 78 . 1 1 29 29 C H6 H 1 7.87301 . . . . . . . A 29 C H6 . 30262 1 79 . 1 1 30 30 A H1' H 1 5.78565 . . . . . . . A 30 A H1' . 30262 1 80 . 1 1 30 30 A H2 H 1 7.27368 . . . . . . . A 30 A H2 . 30262 1 81 . 1 1 30 30 A H8 H 1 7.91399 . . . . . . . A 30 A H8 . 30262 1 82 . 1 1 31 31 U H1' H 1 5.23366 . . . . . . . A 31 U H1' . 30262 1 83 . 1 1 31 31 U H5 H 1 5.31822 . . . . . . . A 31 U H5 . 30262 1 84 . 1 1 31 31 U H6 H 1 7.52088 . . . . . . . A 31 U H6 . 30262 1 85 . 1 1 32 32 A H1' H 1 5.90146 . . . . . . . A 32 A H1' . 30262 1 86 . 1 1 32 32 A H2 H 1 7.39043 . . . . . . . A 32 A H2 . 30262 1 87 . 1 1 32 32 A H8 H 1 8.32022 . . . . . . . A 32 A H8 . 30262 1 88 . 1 1 33 33 C H1' H 1 5.38509 . . . . . . . A 33 C H1' . 30262 1 89 . 1 1 33 33 C H5 H 1 5.18356 . . . . . . . A 33 C H5 . 30262 1 90 . 1 1 33 33 C H6 H 1 7.47281 . . . . . . . A 33 C H6 . 30262 1 91 . 1 1 34 34 C H1' H 1 5.51706 . . . . . . . A 34 C H1' . 30262 1 92 . 1 1 34 34 C H5 H 1 5.41736 . . . . . . . A 34 C H5 . 30262 1 93 . 1 1 34 34 C H6 H 1 7.73765 . . . . . . . A 34 C H6 . 30262 1 94 . 1 1 35 35 U H1' H 1 5.72098 . . . . . . . A 35 U H1' . 30262 1 95 . 1 1 35 35 U H6 H 1 7.61799 . . . . . . . A 35 U H6 . 30262 1 96 . 1 1 36 36 U H1' H 1 5.72331 . . . . . . . A 36 U H1' . 30262 1 97 . 1 1 36 36 U H5 H 1 5.85456 . . . . . . . A 36 U H5 . 30262 1 98 . 1 1 36 36 U H6 H 1 7.90027 . . . . . . . A 36 U H6 . 30262 1 99 . 1 1 37 37 G H1' H 1 5.75339 . . . . . . . A 37 G H1' . 30262 1 100 . 1 1 37 37 G H8 H 1 7.84807 . . . . . . . A 37 G H8 . 30262 1 101 . 1 1 38 38 A H1' H 1 5.90256 . . . . . . . A 38 A H1' . 30262 1 102 . 1 1 38 38 A H2 H 1 7.66043 . . . . . . . A 38 A H2 . 30262 1 103 . 1 1 38 38 A H8 H 1 7.8063 . . . . . . . A 38 A H8 . 30262 1 104 . 1 1 39 39 U H1' H 1 5.43565 . . . . . . . A 39 U H1' . 30262 1 105 . 1 1 39 39 U H5 H 1 4.96687 . . . . . . . A 39 U H5 . 30262 1 106 . 1 1 39 39 U H6 H 1 7.57504 . . . . . . . A 39 U H6 . 30262 1 107 . 1 1 40 40 C H1' H 1 5.53757 . . . . . . . A 40 C H1' . 30262 1 108 . 1 1 40 40 C H6 H 1 7.79297 . . . . . . . A 40 C H6 . 30262 1 109 . 1 1 41 41 C H1' H 1 5.57141 . . . . . . . A 41 C H1' . 30262 1 110 . 1 1 41 41 C H6 H 1 7.60878 . . . . . . . A 41 C H6 . 30262 1 stop_ save_