data_31238 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31238 _Entry.Title ; Solution structure of the Ebola Transcriptional Regulatory Signal - configuration B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-04-25 _Entry.Accession_date 2025-04-25 _Entry.Last_release_date 2025-07-17 _Entry.Original_release_date 2025-07-17 _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 J. Edwards J. M. . . 31238 2 A. Kachale A. . . . 31238 3 V. Pham V. V. . . 31238 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Ebola transcription' . 31238 RNA . 31238 stemloop . 31238 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31238 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 157 31238 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 1 . . 2025-10-07 . original BMRB . 31238 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9OD4 'BMRB Entry Tracking System' 31238 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31238 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 41015113 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The Ebolavirus transcriptional regulatory signal equilibrates between two structural conformations to affect VP30 binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year 2025 _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 Jerome Edwards J. M. . . 31238 1 2 Ambar Kachale A. . . . 31238 1 3 Spencer McCleery S. R. . . 31238 1 4 Gabrielle Law G. A. . . 31238 1 5 Vivek Patel V. . . . 31238 1 6 Victoria D'Souza V. M. . . 31238 1 7 Vincent Pham V. V. . . 31238 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31238 _Assembly.ID 1 _Assembly.Name "RNA (5'-R(*CP*UP*CP*CP*UP*UP*CP*UP*AP*AP*UP*UP*AP*UP*UP*AP*(AHE)P*AP*AP*GP*GP*AP*G)-3')" _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 . . . . . . 31238 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31238 _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 ; CUCCUUCUAAUUAUUAAAAG GAG ; _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7294.361 _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 56 C . 31238 1 2 57 U . 31238 1 3 58 C . 31238 1 4 59 C . 31238 1 5 60 U . 31238 1 6 61 U . 31238 1 7 62 C . 31238 1 8 63 U . 31238 1 9 64 A . 31238 1 10 65 A . 31238 1 11 66 U . 31238 1 12 67 U . 31238 1 13 68 A . 31238 1 14 69 U . 31238 1 15 70 U . 31238 1 16 71 A . 31238 1 17 72 A . 31238 1 18 73 A . 31238 1 19 74 A . 31238 1 20 75 G . 31238 1 21 76 G . 31238 1 22 77 A . 31238 1 23 78 G . 31238 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 . C 1 1 31238 1 . U 2 2 31238 1 . C 3 3 31238 1 . C 4 4 31238 1 . U 5 5 31238 1 . U 6 6 31238 1 . C 7 7 31238 1 . U 8 8 31238 1 . A 9 9 31238 1 . A 10 10 31238 1 . U 11 11 31238 1 . U 12 12 31238 1 . A 13 13 31238 1 . U 14 14 31238 1 . U 15 15 31238 1 . A 16 16 31238 1 . A 17 17 31238 1 . A 18 18 31238 1 . A 19 19 31238 1 . G 20 20 31238 1 . G 21 21 31238 1 . A 22 22 31238 1 . G 23 23 31238 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 31238 _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 . 1570291 organism . 'Ebola virus' 'Ebola virus' . . Viruses . Ebola virus . . . . . . . . . . . . . 31238 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 31238 _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 . 'recombinant technology' . . . 905931 . . . . . . . . . . . 'in vitro transcription vector pT7-TP(deltai)' 31238 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31238 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM H ribonucleic acid, 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 'ribonucleic acid' 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 31238 1 2 'Tris HCl' 'natural abundance' . . . . . . 50 . . mM . . . . 31238 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 31238 1 4 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31238 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31238 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM H ribonucleic acid, 90% H2O/10% D2O' _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 'ribonucleic acid' 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 31238 2 2 'Tris HCl' 'natural abundance' . . . . . . 50 . . mM . . . . 31238 2 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 31238 2 4 MgCl2 'natural abundance' . . . . . . 1 . . mM . . . . 31238 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 31238 _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' 150 . mM 31238 1 pH 7.5 . pH 31238 1 pressure 100000 . Pa 31238 1 temperature 311 . K 31238 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31238 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NMRFx . . 31238 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31238 1 'peak picking' . 31238 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31238 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31238 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31238 2 'structure calculation' . 31238 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31238 _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' . . 31238 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31238 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 31238 _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 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 31238 _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' . 800 . . . 31238 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 31238 _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 . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31238 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31238 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31238 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 31238 _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 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31238 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 31238 _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' . . . 31238 1 2 '2D 1H-1H NOESY' . . . 31238 1 3 '2D 1H-13C HSQC' . . . 31238 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 C H1' H 1 5.5228 . . 1 . . . . A 56 C H1' . 31238 1 2 . 1 . 1 1 1 C H2' H 1 4.5251 . . 1 . . . . A 56 C H2' . 31238 1 3 . 1 . 1 1 1 C H3' H 1 4.4281 . . 1 . . . . A 56 C H3' . 31238 1 4 . 1 . 1 1 1 C H4' H 1 4.1533 . . 1 . . . . A 56 C H4' . 31238 1 5 . 1 . 1 1 1 C H5 H 1 6.1244 . . 1 . . . . A 56 C H5 . 31238 1 6 . 1 . 1 1 1 C H5' H 1 4.5777 . . . . . . . A 56 C H5' . 31238 1 7 . 1 . 1 1 1 C H6 H 1 8.2083 . . 1 . . . . A 56 C H6 . 31238 1 8 . 1 . 1 2 2 U H1' H 1 5.8724 . . 1 . . . . A 57 U H1' . 31238 1 9 . 1 . 1 2 2 U H2' H 1 4.6562 . . 1 . . . . A 57 U H2' . 31238 1 10 . 1 . 1 2 2 U H3 H 1 13.4712 . . 1 . . . . A 57 U H3 . 31238 1 11 . 1 . 1 2 2 U H3' H 1 4.5948 . . 1 . . . . A 57 U H3' . 31238 1 12 . 1 . 1 2 2 U H4' H 1 4.7214 . . 1 . . . . A 57 U H4' . 31238 1 13 . 1 . 1 2 2 U H5 H 1 5.5689 . . 1 . . . . A 57 U H5 . 31238 1 14 . 1 . 1 2 2 U H5' H 1 4.5902 . . . . . . . A 57 U H5' . 31238 1 15 . 1 . 1 2 2 U H6 H 1 8.2007 . . 1 . . . . A 57 U H6 . 31238 1 16 . 1 . 1 3 3 C H1' H 1 5.4581 . . 1 . . . . A 58 C H1' . 31238 1 17 . 1 . 1 3 3 C H2' H 1 4.4455 . . 1 . . . . A 58 C H2' . 31238 1 18 . 1 . 1 3 3 C H3' H 1 4.5289 . . 1 . . . . A 58 C H3' . 31238 1 19 . 1 . 1 3 3 C H4' H 1 4.6606 . . 1 . . . . A 58 C H4' . 31238 1 20 . 1 . 1 3 3 C H5 H 1 5.7995 . . 1 . . . . A 58 C H5 . 31238 1 21 . 1 . 1 3 3 C H5' H 1 4.2265 . . . . . . . A 58 C H5' . 31238 1 22 . 1 . 1 3 3 C H6 H 1 7.9470 . . 1 . . . . A 58 C H6 . 31238 1 23 . 1 . 1 4 4 C H1' H 1 5.3230 . . 1 . . . . A 59 C H1' . 31238 1 24 . 1 . 1 4 4 C H2' H 1 4.4416 . . 1 . . . . A 59 C H2' . 31238 1 25 . 1 . 1 4 4 C H3' H 1 4.1244 . . 1 . . . . A 59 C H3' . 31238 1 26 . 1 . 1 4 4 C H4' H 1 4.6018 . . 1 . . . . A 59 C H4' . 31238 1 27 . 1 . 1 4 4 C H5 H 1 5.5919 . . 1 . . . . A 59 C H5 . 31238 1 28 . 1 . 1 4 4 C H5' H 1 4.4971 . . . . . . . A 59 C H5' . 31238 1 29 . 1 . 1 4 4 C H6 H 1 7.8114 . . 1 . . . . A 59 C H6 . 31238 1 30 . 1 . 1 5 5 U H1' H 1 5.6983 . . 1 . . . . A 60 U H1' . 31238 1 31 . 1 . 1 5 5 U H2' H 1 4.6548 . . 1 . . . . A 60 U H2' . 31238 1 32 . 1 . 1 5 5 U H3 H 1 13.8168 . . 1 . . . . A 60 U H3 . 31238 1 33 . 1 . 1 5 5 U H5 H 1 6.7373 . . 1 . . . . A 60 U H5 . 31238 1 34 . 1 . 1 5 5 U H6 H 1 7.8922 . . 1 . . . . A 60 U H6 . 31238 1 35 . 1 . 1 6 6 U H1' H 1 5.7379 . . 1 . . . . A 61 U H1' . 31238 1 36 . 1 . 1 6 6 U H2' H 1 4.5465 . . 1 . . . . A 61 U H2' . 31238 1 37 . 1 . 1 6 6 U H3 H 1 13.6284 . . 1 . . . . A 61 U H3 . 31238 1 38 . 1 . 1 6 6 U H3' H 1 4.5046 . . 1 . . . . A 61 U H3' . 31238 1 39 . 1 . 1 6 6 U H4' H 1 4.1575 . . 1 . . . . A 61 U H4' . 31238 1 40 . 1 . 1 6 6 U H5 H 1 5.7786 . . 1 . . . . A 61 U H5 . 31238 1 41 . 1 . 1 6 6 U H5' H 1 4.2220 . . . . . . . A 61 U H5' . 31238 1 42 . 1 . 1 6 6 U H6 H 1 7.5806 . . 1 . . . . A 61 U H6 . 31238 1 43 . 1 . 1 7 7 C H1' H 1 5.4111 . . 1 . . . . A 62 C H1' . 31238 1 44 . 1 . 1 7 7 C H2' H 1 4.3112 . . 1 . . . . A 62 C H2' . 31238 1 45 . 1 . 1 7 7 C H3' H 1 4.5841 . . 1 . . . . A 62 C H3' . 31238 1 46 . 1 . 1 7 7 C H4' H 1 4.4335 . . 1 . . . . A 62 C H4' . 31238 1 47 . 1 . 1 7 7 C H5 H 1 5.9309 . . 1 . . . . A 62 C H5 . 31238 1 48 . 1 . 1 7 7 C H5' H 1 4.1441 . . . . . . . A 62 C H5' . 31238 1 49 . 1 . 1 7 7 C H6 H 1 8.0658 . . 1 . . . . A 62 C H6 . 31238 1 50 . 1 . 1 8 8 U H1' H 1 5.6914 . . 1 . . . . A 63 U H1' . 31238 1 51 . 1 . 1 8 8 U H2' H 1 4.3898 . . 1 . . . . A 63 U H2' . 31238 1 52 . 1 . 1 8 8 U H3 H 1 13.0867 . . 1 . . . . A 63 U H3 . 31238 1 53 . 1 . 1 8 8 U H3' H 1 4.1319 . . 1 . . . . A 63 U H3' . 31238 1 54 . 1 . 1 8 8 U H4' H 1 4.6294 . . 1 . . . . A 63 U H4' . 31238 1 55 . 1 . 1 8 8 U H5 H 1 5.5337 . . 1 . . . . A 63 U H5 . 31238 1 56 . 1 . 1 8 8 U H5' H 1 4.6486 . . . . . . . A 63 U H5' . 31238 1 57 . 1 . 1 8 8 U H6 H 1 7.8366 . . 1 . . . . A 63 U H6 . 31238 1 58 . 1 . 1 9 9 A H1' H 1 5.3291 . . 1 . . . . A 64 A H1' . 31238 1 59 . 1 . 1 9 9 A H2 H 1 6.3586 . . 1 . . . . A 64 A H2 . 31238 1 60 . 1 . 1 9 9 A H2' H 1 4.5806 . . 1 . . . . A 64 A H2' . 31238 1 61 . 1 . 1 9 9 A H3' H 1 4.5067 . . 1 . . . . A 64 A H3' . 31238 1 62 . 1 . 1 9 9 A H4' H 1 4.6182 . . 1 . . . . A 64 A H4' . 31238 1 63 . 1 . 1 9 9 A H5' H 1 4.4780 . . . . . . . A 64 A H5' . 31238 1 64 . 1 . 1 9 9 A H8 H 1 8.1017 . . 1 . . . . A 64 A H8 . 31238 1 65 . 1 . 1 10 10 A H1' H 1 5.7085 . . 1 . . . . A 65 A H1' . 31238 1 66 . 1 . 1 10 10 A H2 H 1 7.5554 . . 1 . . . . A 65 A H2 . 31238 1 67 . 1 . 1 10 10 A H2' H 1 4.4112 . . 1 . . . . A 65 A H2' . 31238 1 68 . 1 . 1 10 10 A H8 H 1 7.3268 . . 1 . . . . A 65 A H8 . 31238 1 69 . 1 . 1 11 11 U H1' H 1 5.4974 . . 1 . . . . A 66 U H1' . 31238 1 70 . 1 . 1 11 11 U H2' H 1 4.2216 . . 1 . . . . A 66 U H2' . 31238 1 71 . 1 . 1 11 11 U H3 H 1 13.6536 . . 1 . . . . A 66 U H3 . 31238 1 72 . 1 . 1 11 11 U H3' H 1 4.6005 . . 1 . . . . A 66 U H3' . 31238 1 73 . 1 . 1 11 11 U H4' H 1 4.4731 . . 1 . . . . A 66 U H4' . 31238 1 74 . 1 . 1 11 11 U H5 H 1 5.6150 . . 1 . . . . A 66 U H5 . 31238 1 75 . 1 . 1 11 11 U H5' H 1 4.0337 . . . . . . . A 66 U H5' . 31238 1 76 . 1 . 1 11 11 U H6 H 1 7.9050 . . 1 . . . . A 66 U H6 . 31238 1 77 . 1 . 1 12 12 U H1' H 1 5.1767 . . 1 . . . . A 67 U H1' . 31238 1 78 . 1 . 1 12 12 U H2' H 1 4.1043 . . 1 . . . . A 67 U H2' . 31238 1 79 . 1 . 1 12 12 U H4' H 1 3.7748 . . 1 . . . . A 67 U H4' . 31238 1 80 . 1 . 1 12 12 U H5 H 1 5.5586 . . 1 . . . . A 67 U H5 . 31238 1 81 . 1 . 1 12 12 U H5' H 1 4.1573 . . . . . . . A 67 U H5' . 31238 1 82 . 1 . 1 12 12 U H6 H 1 7.5852 . . 1 . . . . A 67 U H6 . 31238 1 83 . 1 . 1 13 13 A H1' H 1 5.9221 . . 1 . . . . A 68 A H1' . 31238 1 84 . 1 . 1 13 13 A H2 H 1 7.6429 . . 1 . . . . A 68 A H2 . 31238 1 85 . 1 . 1 13 13 A H2' H 1 4.8582 . . 1 . . . . A 68 A H2' . 31238 1 86 . 1 . 1 13 13 A H3' H 1 4.5121 . . 1 . . . . A 68 A H3' . 31238 1 87 . 1 . 1 13 13 A H4' H 1 4.4279 . . 1 . . . . A 68 A H4' . 31238 1 88 . 1 . 1 13 13 A H5' H 1 4.6071 . . . . . . . A 68 A H5' . 31238 1 89 . 1 . 1 13 13 A H8 H 1 7.5819 . . 1 . . . . A 68 A H8 . 31238 1 90 . 1 . 1 14 14 U H1' H 1 5.5271 . . 1 . . . . A 69 U H1' . 31238 1 91 . 1 . 1 14 14 U H2' H 1 4.5841 . . 1 . . . . A 69 U H2' . 31238 1 92 . 1 . 1 14 14 U H3 H 1 10.9473 . . 1 . . . . A 69 U H3 . 31238 1 93 . 1 . 1 14 14 U H4' H 1 4.5384 . . 1 . . . . A 69 U H4' . 31238 1 94 . 1 . 1 14 14 U H5 H 1 5.8617 . . 1 . . . . A 69 U H5 . 31238 1 95 . 1 . 1 14 14 U H5' H 1 4.7043 . . . . . . . A 69 U H5' . 31238 1 96 . 1 . 1 14 14 U H6 H 1 7.8899 . . 1 . . . . A 69 U H6 . 31238 1 97 . 1 . 1 15 15 U H1' H 1 5.5848 . . 1 . . . . A 70 U H1' . 31238 1 98 . 1 . 1 15 15 U H2' H 1 4.6348 . . 1 . . . . A 70 U H2' . 31238 1 99 . 1 . 1 15 15 U H3 H 1 13.4992 . . 1 . . . . A 70 U H3 . 31238 1 100 . 1 . 1 15 15 U H3' H 1 4.5624 . . 1 . . . . A 70 U H3' . 31238 1 101 . 1 . 1 15 15 U H4' H 1 4.3380 . . 1 . . . . A 70 U H4' . 31238 1 102 . 1 . 1 15 15 U H5 H 1 5.8714 . . 1 . . . . A 70 U H5 . 31238 1 103 . 1 . 1 15 15 U H5' H 1 4.3902 . . . . . . . A 70 U H5' . 31238 1 104 . 1 . 1 15 15 U H6 H 1 7.9092 . . 1 . . . . A 70 U H6 . 31238 1 105 . 1 . 1 16 16 A H1' H 1 5.5315 . . 1 . . . . A 71 A H1' . 31238 1 106 . 1 . 1 16 16 A H2 H 1 6.0146 . . 1 . . . . A 71 A H2 . 31238 1 107 . 1 . 1 16 16 A H2' H 1 4.6380 . . 1 . . . . A 71 A H2' . 31238 1 108 . 1 . 1 16 16 A H3' H 1 4.7462 . . 1 . . . . A 71 A H3' . 31238 1 109 . 1 . 1 16 16 A H4' H 1 4.3031 . . 1 . . . . A 71 A H4' . 31238 1 110 . 1 . 1 16 16 A H8 H 1 8.2508 . . 1 . . . . A 71 A H8 . 31238 1 111 . 1 . 1 17 17 A H1 H 1 12.6684 . . . . . . . A 72 A H1 . 31238 1 112 . 1 . 1 17 17 A H1' H 1 5.9219 . . . . . . . A 72 A H1' . 31238 1 113 . 1 . 1 17 17 A H2 H 1 7.7052 . . . . . . . A 72 A H2 . 31238 1 114 . 1 . 1 17 17 A H3' H 1 4.5604 . . . . . . . A 72 A H3' . 31238 1 115 . 1 . 1 17 17 A H4' H 1 4.5262 . . . . . . . A 72 A H4' . 31238 1 116 . 1 . 1 17 17 A H5' H 1 4.2781 . . . . . . . A 72 A H5' . 31238 1 117 . 1 . 1 17 17 A H8 H 1 7.7842 . . . . . . . A 72 A H8 . 31238 1 118 . 1 . 1 17 17 A HO2' H 1 4.6501 . . . . . . . A 72 A HO2' . 31238 1 119 . 1 . 1 18 18 A H1' H 1 5.7443 . . 1 . . . . A 73 A H1' . 31238 1 120 . 1 . 1 18 18 A H2 H 1 7.2495 . . 1 . . . . A 73 A H2 . 31238 1 121 . 1 . 1 18 18 A H2' H 1 4.5161 . . 1 . . . . A 73 A H2' . 31238 1 122 . 1 . 1 18 18 A H3' H 1 4.1441 . . 1 . . . . A 73 A H3' . 31238 1 123 . 1 . 1 18 18 A H8 H 1 7.7842 . . 1 . . . . A 73 A H8 . 31238 1 124 . 1 . 1 19 19 A H1' H 1 5.3252 . . 1 . . . . A 74 A H1' . 31238 1 125 . 1 . 1 19 19 A H2 H 1 7.2799 . . 1 . . . . A 74 A H2 . 31238 1 126 . 1 . 1 19 19 A H2' H 1 4.6261 . . 1 . . . . A 74 A H2' . 31238 1 127 . 1 . 1 19 19 A H3' H 1 4.5035 . . 1 . . . . A 74 A H3' . 31238 1 128 . 1 . 1 19 19 A H4' H 1 4.1414 . . 1 . . . . A 74 A H4' . 31238 1 129 . 1 . 1 19 19 A H5' H 1 4.4249 . . . . . . . A 74 A H5' . 31238 1 130 . 1 . 1 19 19 A H8 H 1 7.5774 . . 1 . . . . A 74 A H8 . 31238 1 131 . 1 . 1 20 20 G H1 H 1 12.6890 . . 1 . . . . A 75 G H1 . 31238 1 132 . 1 . 1 20 20 G H1' H 1 5.2841 . . 1 . . . . A 75 G H1' . 31238 1 133 . 1 . 1 20 20 G H2' H 1 4.5699 . . 1 . . . . A 75 G H2' . 31238 1 134 . 1 . 1 20 20 G H3' H 1 4.4803 . . 1 . . . . A 75 G H3' . 31238 1 135 . 1 . 1 20 20 G H4' H 1 4.4210 . . 1 . . . . A 75 G H4' . 31238 1 136 . 1 . 1 20 20 G H5' H 1 4.0696 . . . . . . . A 75 G H5' . 31238 1 137 . 1 . 1 20 20 G H8 H 1 7.0384 . . 1 . . . . A 75 G H8 . 31238 1 138 . 1 . 1 21 21 G H1 H 1 12.5050 . . 1 . . . . A 76 G H1 . 31238 1 139 . 1 . 1 21 21 G H1' H 1 5.7588 . . 1 . . . . A 76 G H1' . 31238 1 140 . 1 . 1 21 21 G H2' H 1 4.6536 . . 1 . . . . A 76 G H2' . 31238 1 141 . 1 . 1 21 21 G H3' H 1 4.5522 . . 1 . . . . A 76 G H3' . 31238 1 142 . 1 . 1 21 21 G H4' H 1 4.4813 . . 1 . . . . A 76 G H4' . 31238 1 143 . 1 . 1 21 21 G H5' H 1 4.0890 . . . . . . . A 76 G H5' . 31238 1 144 . 1 . 1 21 21 G H8 H 1 7.1819 . . 1 . . . . A 76 G H8 . 31238 1 145 . 1 . 1 22 22 A H1' H 1 5.9818 . . 1 . . . . A 77 A H1' . 31238 1 146 . 1 . 1 22 22 A H2 H 1 7.5172 . . 1 . . . . A 77 A H2 . 31238 1 147 . 1 . 1 22 22 A H2' H 1 4.5942 . . 1 . . . . A 77 A H2' . 31238 1 148 . 1 . 1 22 22 A H3' H 1 4.5336 . . 1 . . . . A 77 A H3' . 31238 1 149 . 1 . 1 22 22 A H4' H 1 4.6585 . . 1 . . . . A 77 A H4' . 31238 1 150 . 1 . 1 22 22 A H5' H 1 4.1420 . . . . . . . A 77 A H5' . 31238 1 151 . 1 . 1 22 22 A H8 H 1 7.6788 . . 1 . . . . A 77 A H8 . 31238 1 152 . 1 . 1 23 23 G H1' H 1 5.5933 . . 1 . . . . A 78 G H1' . 31238 1 153 . 1 . 1 23 23 G H2' H 1 4.0333 . . 1 . . . . A 78 G H2' . 31238 1 154 . 1 . 1 23 23 G H3' H 1 4.4776 . . 1 . . . . A 78 G H3' . 31238 1 155 . 1 . 1 23 23 G H4' H 1 4.2541 . . 1 . . . . A 78 G H4' . 31238 1 156 . 1 . 1 23 23 G H5' H 1 4.6180 . . . . . . . A 78 G H5' . 31238 1 157 . 1 . 1 23 23 G H8 H 1 7.3410 . . 1 . . . . A 78 G H8 . 31238 1 stop_ save_