data_27303 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27303 _Entry.Title ; 1H, 13C and 15N backbone chemical shift assignments of A. thaliana DREB2A(255-272) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-11-07 _Entry.Accession_date 2017-11-07 _Entry.Last_release_date 2017-11-07 _Entry.Original_release_date 2017-11-07 _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 . _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 Lasse Staby . . . . 27303 2 Karen Skriver . B. . . 27303 3 Birthe Kragelund . B. . . 27303 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Structural Biology and NMR Laboratory, University of Copenhagen' . 27303 2 . 'Protein Biology Group, University of Copenhagen' . 27303 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27303 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 55 27303 '15N chemical shifts' 20 27303 '1H chemical shifts' 21 27303 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 . . 2018-05-25 2017-11-07 update BMRB 'update entry citation' 27303 1 . . 2018-04-13 2017-11-07 original author 'original release' 27303 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 34152 'Chemical shift assignments of DREB2A in complex with RCD1' 27303 PDB 5OAP 'NMR structure of DREB2A in complex with RCD1' 27303 stop_ save_ ############### # Citations # ############### save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 27303 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.M116.753426 _Citation.PubMed_ID 27881680 _Citation.Full_citation . _Citation.Title ; Structures and Short Linear Motif of Disordered Transcription Factor Regions Provide Clues to the Interactome of the Cellular Hub Protein Radical-induced Cell Death1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 292 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 512 _Citation.Page_last 527 _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 Charlotte O'Shea . . . . 27303 1 2 Lasse Staby . . . . 27303 1 3 Sidsel Bendsen . K. . . 27303 1 4 Frederik Tidemand . G. . . 27303 1 5 Andreas Redsted . . . . 27303 1 6 Martin Willemoes . . . . 27303 1 7 Birthe Kragelund . B. . . 27303 1 8 Karen Skriver . . . . 27303 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID SLiM 27303 1 'coupled folding and binding' 27303 1 interactome 27303 1 'intrinsically disordered protein' 27303 1 'plant stress' 27303 1 'protein-protein interaction' 27303 1 thermodynamics 27303 1 stop_ save_ save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27303 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.str.2018.03.013 _Citation.PubMed_ID 29657132 _Citation.Full_citation . _Citation.Title ; Structure of Radical-induced Cell Death1 hub domain reveals a common aa-scaffold for disorder in transcriptional networks ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 734 _Citation.Page_last 746 _Citation.Year 2018 _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 Katrine Bugge . . . . 27303 2 2 Lasse Staby . . . . 27303 2 3 Katherine Kemplen . R. . . 27303 2 4 Charlotte O'Shea . . . . 27303 2 5 Sidsel Bendsen . K. . . 27303 2 6 Michael Jensen . K. . . 27303 2 7 Johan Olsen . G. . . 27303 2 8 Karen Skriver . . . . 27303 2 9 Birthe Kragelund . B. . . 27303 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID IDP 27303 2 NCBD 27303 2 NMR 27303 2 PAH 27303 2 RCD1 27303 2 SAXS 27303 2 TAFH 27303 2 'Transcription factor' 27303 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27303 _Assembly.ID 1 _Assembly.Name DREB2A(255-272) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 2113.1 _Assembly.Enzyme_commission_number . _Assembly.Details DREB2A(255-272) _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 DREB2A 1 $DREB2A(255-272) A . yes native no no . . . 27303 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DREB2A(255-272) _Entity.Sf_category entity _Entity.Sf_framecode DREB2A(255-272) _Entity.Entry_ID 27303 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DREB2A(255-272) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSDMFDVDELLRDLNGDD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'N-terminal glycine from TEV cleavage site' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'heat acclimation' 27303 1 'positive regulation of transcription' 27303 1 'regulation of transcription' 27303 1 'response to UV-B' 27303 1 'response to heat' 27303 1 'response to hydrogen peroxide' 27303 1 'response to water deprivation' 27303 1 transcription 27303 1 stop_ 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 1 254 GLY . 27303 1 2 255 SER . 27303 1 3 256 SER . 27303 1 4 257 ASP . 27303 1 5 258 MET . 27303 1 6 259 PHE . 27303 1 7 260 ASP . 27303 1 8 261 VAL . 27303 1 9 262 ASP . 27303 1 10 263 GLU . 27303 1 11 264 LEU . 27303 1 12 265 LEU . 27303 1 13 266 ARG . 27303 1 14 267 ASP . 27303 1 15 268 LEU . 27303 1 16 269 ASN . 27303 1 17 270 GLY . 27303 1 18 271 ASP . 27303 1 19 272 ASP . 27303 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 . GLY 1 1 27303 1 . SER 2 2 27303 1 . SER 3 3 27303 1 . ASP 4 4 27303 1 . MET 5 5 27303 1 . PHE 6 6 27303 1 . ASP 7 7 27303 1 . VAL 8 8 27303 1 . ASP 9 9 27303 1 . GLU 10 10 27303 1 . LEU 11 11 27303 1 . LEU 12 12 27303 1 . ARG 13 13 27303 1 . ASP 14 14 27303 1 . LEU 15 15 27303 1 . ASN 16 16 27303 1 . GLY 17 17 27303 1 . ASP 18 18 27303 1 . ASP 19 19 27303 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 27303 _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 $DREB2A(255-272) . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . 27303 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 27303 _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 $DREB2A(255-272) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX-4T-1 . . . 27303 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27303 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DREB2A '[U-100% 13C; U-100% 15N]' . . 1 $DREB2A(255-272) . . 150 . . uM . . . . 27303 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27303 1 3 DSS 'natural abundance' . . . . . . 0.7 . . mM . . . . 27303 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 27303 1 5 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 27303 1 6 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 27303 1 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 27303 _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 pH 7.0 . pH 27303 1 pressure 1 . atm 27303 1 temperature 298 . K 27303 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27303 _Software.ID 1 _Software.Type . _Software.Name CCPN_Analysis _Software.Version 2.4.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27303 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27303 1 'data analysis' 27303 1 'peak picking' 27303 1 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 27303 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version 8.9 _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' . . 27303 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27303 2 stop_ save_ save_Mdd_NMR _Software.Sf_category software _Software.Sf_framecode Mdd_NMR _Software.Entry_ID 27303 _Software.ID 3 _Software.Type . _Software.Name Mdd_NMR _Software.Version 2.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov, Jaravine, Mayzel, Kazimierczuk' . . 27303 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 27303 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27303 _Software.ID 4 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27303 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 27303 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27303 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27303 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27303 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 750 . . . 27303 1 2 spectrometer_2 Bruker Avance . 600 . . . 27303 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 27303 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27303 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27303 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27303 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27303 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27303 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27303 _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 0.00 na indirect 0.251449530 . . . . . 27303 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27303 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27303 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27303 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27303 1 2 '3D HNCACB' . . . 27303 1 3 '3D CBCA(CO)NH' . . . 27303 1 4 '3D HNCO' . . . 27303 1 5 '3D HN(CA)CO' . . . 27303 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CCPN_Analysis . . 27303 1 2 $NMRDraw . . 27303 1 3 $Mdd_NMR . . 27303 1 4 $TOPSPIN . . 27303 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 2 2 SER H H 1 8.774 0.014 . 1 . . . . . 255 SER H . 27303 1 2 . 1 1 2 2 SER C C 13 174.987 0.006 . 1 . . . . . 255 SER C . 27303 1 3 . 1 1 2 2 SER CA C 13 58.969 0.111 . 1 . . . . . 255 SER CA . 27303 1 4 . 1 1 2 2 SER CB C 13 63.752 0.062 . 1 . . . . . 255 SER CB . 27303 1 5 . 1 1 2 2 SER N N 15 116.144 0.181 . 1 . . . . . 255 SER N . 27303 1 6 . 1 1 3 3 SER H H 1 8.542 0.015 . 1 . . . . . 256 SER H . 27303 1 7 . 1 1 3 3 SER C C 13 174.243 0.007 . 1 . . . . . 256 SER C . 27303 1 8 . 1 1 3 3 SER CA C 13 58.669 0.018 . 1 . . . . . 256 SER CA . 27303 1 9 . 1 1 3 3 SER CB C 13 63.671 0.021 . 1 . . . . . 256 SER CB . 27303 1 10 . 1 1 3 3 SER N N 15 117.368 0.210 . 1 . . . . . 256 SER N . 27303 1 11 . 1 1 4 4 ASP H H 1 8.176 0.013 . 1 . . . . . 257 ASP H . 27303 1 12 . 1 1 4 4 ASP C C 13 175.991 0.005 . 1 . . . . . 257 ASP C . 27303 1 13 . 1 1 4 4 ASP CA C 13 54.531 0.083 . 1 . . . . . 257 ASP CA . 27303 1 14 . 1 1 4 4 ASP CB C 13 41.032 0.055 . 1 . . . . . 257 ASP CB . 27303 1 15 . 1 1 4 4 ASP N N 15 121.767 0.150 . 1 . . . . . 257 ASP N . 27303 1 16 . 1 1 5 5 MET H H 1 8.102 0.013 . 1 . . . . . 258 MET H . 27303 1 17 . 1 1 5 5 MET C C 13 175.732 0.002 . 1 . . . . . 258 MET C . 27303 1 18 . 1 1 5 5 MET CA C 13 55.630 0.027 . 1 . . . . . 258 MET CA . 27303 1 19 . 1 1 5 5 MET CB C 13 32.678 0.076 . 1 . . . . . 258 MET CB . 27303 1 20 . 1 1 5 5 MET N N 15 119.584 0.199 . 1 . . . . . 258 MET N . 27303 1 21 . 1 1 6 6 PHE H H 1 8.098 0.014 . 1 . . . . . 259 PHE H . 27303 1 22 . 1 1 6 6 PHE C C 13 175.308 0.002 . 1 . . . . . 259 PHE C . 27303 1 23 . 1 1 6 6 PHE CA C 13 57.486 0.119 . 1 . . . . . 259 PHE CA . 27303 1 24 . 1 1 6 6 PHE CB C 13 39.602 0.056 . 1 . . . . . 259 PHE CB . 27303 1 25 . 1 1 6 6 PHE N N 15 120.363 0.182 . 1 . . . . . 259 PHE N . 27303 1 26 . 1 1 7 7 ASP H H 1 8.323 0.017 . 1 . . . . . 260 ASP H . 27303 1 27 . 1 1 7 7 ASP C C 13 176.199 0.000 . 1 . . . . . 260 ASP C . 27303 1 28 . 1 1 7 7 ASP CA C 13 54.061 0.079 . 1 . . . . . 260 ASP CA . 27303 1 29 . 1 1 7 7 ASP CB C 13 41.038 0.012 . 1 . . . . . 260 ASP CB . 27303 1 30 . 1 1 7 7 ASP N N 15 122.024 0.171 . 1 . . . . . 260 ASP N . 27303 1 31 . 1 1 8 8 VAL H H 1 8.068 0.011 . 1 . . . . . 261 VAL H . 27303 1 32 . 1 1 8 8 VAL C C 13 176.163 0.004 . 1 . . . . . 261 VAL C . 27303 1 33 . 1 1 8 8 VAL CA C 13 62.765 0.099 . 1 . . . . . 261 VAL CA . 27303 1 34 . 1 1 8 8 VAL CB C 13 32.708 0.091 . 1 . . . . . 261 VAL CB . 27303 1 35 . 1 1 8 8 VAL N N 15 120.160 0.182 . 1 . . . . . 261 VAL N . 27303 1 36 . 1 1 9 9 ASP H H 1 8.325 0.014 . 1 . . . . . 262 ASP H . 27303 1 37 . 1 1 9 9 ASP C C 13 176.904 0.000 . 1 . . . . . 262 ASP C . 27303 1 38 . 1 1 9 9 ASP CA C 13 54.975 0.052 . 1 . . . . . 262 ASP CA . 27303 1 39 . 1 1 9 9 ASP CB C 13 40.987 0.014 . 1 . . . . . 262 ASP CB . 27303 1 40 . 1 1 9 9 ASP N N 15 122.973 0.139 . 1 . . . . . 262 ASP N . 27303 1 41 . 1 1 10 10 GLU H H 1 8.277 0.017 . 1 . . . . . 263 GLU H . 27303 1 42 . 1 1 10 10 GLU C C 13 176.918 0.005 . 1 . . . . . 263 GLU C . 27303 1 43 . 1 1 10 10 GLU CA C 13 57.522 0.077 . 1 . . . . . 263 GLU CA . 27303 1 44 . 1 1 10 10 GLU CB C 13 29.858 0.005 . 1 . . . . . 263 GLU CB . 27303 1 45 . 1 1 10 10 GLU N N 15 121.608 0.128 . 1 . . . . . 263 GLU N . 27303 1 46 . 1 1 11 11 LEU H H 1 8.122 0.019 . 1 . . . . . 264 LEU H . 27303 1 47 . 1 1 11 11 LEU C C 13 177.868 0.009 . 1 . . . . . 264 LEU C . 27303 1 48 . 1 1 11 11 LEU CA C 13 55.954 0.123 . 1 . . . . . 264 LEU CA . 27303 1 49 . 1 1 11 11 LEU CB C 13 41.901 0.039 . 1 . . . . . 264 LEU CB . 27303 1 50 . 1 1 11 11 LEU N N 15 121.265 0.164 . 1 . . . . . 264 LEU N . 27303 1 51 . 1 1 12 12 LEU H H 1 7.994 0.018 . 1 . . . . . 265 LEU H . 27303 1 52 . 1 1 12 12 LEU C C 13 177.564 0.007 . 1 . . . . . 265 LEU C . 27303 1 53 . 1 1 12 12 LEU CA C 13 55.293 0.099 . 1 . . . . . 265 LEU CA . 27303 1 54 . 1 1 12 12 LEU CB C 13 41.805 0.065 . 1 . . . . . 265 LEU CB . 27303 1 55 . 1 1 12 12 LEU N N 15 121.244 0.175 . 1 . . . . . 265 LEU N . 27303 1 56 . 1 1 13 13 ARG H H 1 7.951 0.014 . 1 . . . . . 266 ARG H . 27303 1 57 . 1 1 13 13 ARG HE H 1 7.274 0.009 . 1 . . . . . 266 ARG HE . 27303 1 58 . 1 1 13 13 ARG C C 13 176.234 0.017 . 1 . . . . . 266 ARG C . 27303 1 59 . 1 1 13 13 ARG CA C 13 56.582 0.076 . 1 . . . . . 266 ARG CA . 27303 1 60 . 1 1 13 13 ARG CB C 13 30.965 0.037 . 1 . . . . . 266 ARG CB . 27303 1 61 . 1 1 13 13 ARG CG C 13 27.073 0.000 . 1 . . . . . 266 ARG CG . 27303 1 62 . 1 1 13 13 ARG CD C 13 43.416 0.036 . 1 . . . . . 266 ARG CD . 27303 1 63 . 1 1 13 13 ARG N N 15 121.142 0.153 . 1 . . . . . 266 ARG N . 27303 1 64 . 1 1 13 13 ARG NE N 15 84.869 0.000 . 1 . . . . . 266 ARG NE . 27303 1 65 . 1 1 14 14 ASP H H 1 8.318 0.015 . 1 . . . . . 267 ASP H . 27303 1 66 . 1 1 14 14 ASP C C 13 176.467 0.013 . 1 . . . . . 267 ASP C . 27303 1 67 . 1 1 14 14 ASP CA C 13 54.408 0.081 . 1 . . . . . 267 ASP CA . 27303 1 68 . 1 1 14 14 ASP CB C 13 40.834 0.024 . 1 . . . . . 267 ASP CB . 27303 1 69 . 1 1 14 14 ASP N N 15 120.895 0.141 . 1 . . . . . 267 ASP N . 27303 1 70 . 1 1 15 15 LEU H H 1 8.180 0.014 . 1 . . . . . 268 LEU H . 27303 1 71 . 1 1 15 15 LEU C C 13 177.550 0.005 . 1 . . . . . 268 LEU C . 27303 1 72 . 1 1 15 15 LEU CA C 13 55.496 0.085 . 1 . . . . . 268 LEU CA . 27303 1 73 . 1 1 15 15 LEU CB C 13 42.079 0.081 . 1 . . . . . 268 LEU CB . 27303 1 74 . 1 1 15 15 LEU N N 15 122.848 0.172 . 1 . . . . . 268 LEU N . 27303 1 75 . 1 1 16 16 ASN H H 1 8.431 0.019 . 1 . . . . . 269 ASN H . 27303 1 76 . 1 1 16 16 ASN HD21 H 1 7.688 0.000 . 1 . . . . . 269 ASN HD21 . 27303 1 77 . 1 1 16 16 ASN HD22 H 1 6.900 0.000 . 1 . . . . . 269 ASN HD22 . 27303 1 78 . 1 1 16 16 ASN C C 13 175.687 0.001 . 1 . . . . . 269 ASN C . 27303 1 79 . 1 1 16 16 ASN CA C 13 53.533 0.046 . 1 . . . . . 269 ASN CA . 27303 1 80 . 1 1 16 16 ASN CB C 13 39.209 0.051 . 1 . . . . . 269 ASN CB . 27303 1 81 . 1 1 16 16 ASN N N 15 118.753 0.149 . 1 . . . . . 269 ASN N . 27303 1 82 . 1 1 16 16 ASN ND2 N 15 113.518 0.001 . 1 . . . . . 269 ASN ND2 . 27303 1 83 . 1 1 17 17 GLY H H 1 8.256 0.017 . 1 . . . . . 270 GLY H . 27303 1 84 . 1 1 17 17 GLY C C 13 173.854 0.000 . 1 . . . . . 270 GLY C . 27303 1 85 . 1 1 17 17 GLY CA C 13 45.497 0.071 . 1 . . . . . 270 GLY CA . 27303 1 86 . 1 1 17 17 GLY N N 15 109.329 0.178 . 1 . . . . . 270 GLY N . 27303 1 87 . 1 1 18 18 ASP H H 1 8.282 0.015 . 1 . . . . . 271 ASP H . 27303 1 88 . 1 1 18 18 ASP C C 13 175.172 0.004 . 1 . . . . . 271 ASP C . 27303 1 89 . 1 1 18 18 ASP CA C 13 54.239 0.052 . 1 . . . . . 271 ASP CA . 27303 1 90 . 1 1 18 18 ASP CB C 13 41.227 0.010 . 1 . . . . . 271 ASP CB . 27303 1 91 . 1 1 18 18 ASP N N 15 120.854 0.145 . 1 . . . . . 271 ASP N . 27303 1 92 . 1 1 19 19 ASP H H 1 7.968 0.013 . 1 . . . . . 272 ASP H . 27303 1 93 . 1 1 19 19 ASP C C 13 180.588 0.000 . 1 . . . . . 272 ASP C . 27303 1 94 . 1 1 19 19 ASP CA C 13 55.631 0.000 . 1 . . . . . 272 ASP CA . 27303 1 95 . 1 1 19 19 ASP CB C 13 41.830 0.000 . 1 . . . . . 272 ASP CB . 27303 1 96 . 1 1 19 19 ASP N N 15 125.403 0.130 . 1 . . . . . 272 ASP N . 27303 1 stop_ save_