data_51055 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51055 _Entry.Title ; Chemical shifts and relaxation data from DREB2A 243-276 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-11 _Entry.Accession_date 2021-08-11 _Entry.Last_release_date 2021-08-11 _Entry.Original_release_date 2021-08-11 _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 _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 'Chemical shifts and relaxation rates for Arabidopsis thaliana DREB2A 234-276.' _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 Frederik Theisen . F. . 0000-0002-3412-4242 51055 2 Lasse Staby . . . 0000-0002-5588-5163 51055 3 Frederik Tidemand . G. . 0000-0001-8914-9626 51055 4 Charlotte O'Shea . . . 0000-0002-5548-8002 51055 5 Andreas Prestel . . . 0000-0002-5459-9608 51055 6 Martin Willemoes . . . 0000-0003-1689-2712 51055 7 Birthe Kragelund . B. . 0000-0002-7454-1761 51055 8 Karen Skriver . . . 0000-0003-2225-4012 51055 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51055 heteronucl_T1_relaxation 1 51055 heteronucl_T2_relaxation 1 51055 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 126 51055 '15N chemical shifts' 40 51055 '1H chemical shifts' 40 51055 'T1 relaxation values' 40 51055 'T2 relaxation values' 40 51055 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2022-01-29 2021-08-11 update BMRB 'update entry citation' 51055 1 . . 2021-09-04 2021-08-11 original author 'original release' 51055 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51056 'Chemical shifts and relaxation data from DREB2A with RCD1-RST' 51055 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51055 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34473923 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Quantification of Conformational Entropy Unravels Effect of Disordered Flanking Region in Coupled Folding and Binding ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full . _Citation.Journal_volume 143 _Citation.Journal_issue 36 _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 14540 _Citation.Page_last 14550 _Citation.Year 2021 _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 Frederik Theisen . F. . . 51055 1 2 Lasse Staby . . . . 51055 1 3 Frederik Tidemand . G. . . 51055 1 4 Charlotte O'Shea . . . . 51055 1 5 Andreas Prestel . . . . 51055 1 6 Martin Willemoes . . . . 51055 1 7 Birthe Kragelund . B. . . 51055 1 8 Karen Skriver . . . . 51055 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51055 _Assembly.ID 1 _Assembly.Name 'DREB2A 234-276' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 DREB2A 1 $entity_1 . . yes native no no . . . 51055 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51055 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GQDSLSVADYGWPNDVDQSH LDSSDMFDVDELLRDLNGDD VFAG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Arabidopsis thaliana' _Entity.Ambiguous_conformational_states yes _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 44 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'DREB2A 234-276' _Entity.Mutation 'First residue is a non-wildtype glycine left over from GST tag removal' _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_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 0 GLY . 51055 1 2 1 GLN . 51055 1 3 2 ASP . 51055 1 4 3 SER . 51055 1 5 4 LEU . 51055 1 6 5 SER . 51055 1 7 6 VAL . 51055 1 8 7 ALA . 51055 1 9 8 ASP . 51055 1 10 9 TYR . 51055 1 11 10 GLY . 51055 1 12 11 TRP . 51055 1 13 12 PRO . 51055 1 14 13 ASN . 51055 1 15 14 ASP . 51055 1 16 15 VAL . 51055 1 17 16 ASP . 51055 1 18 17 GLN . 51055 1 19 18 SER . 51055 1 20 19 HIS . 51055 1 21 20 LEU . 51055 1 22 21 ASP . 51055 1 23 22 SER . 51055 1 24 23 SER . 51055 1 25 24 ASP . 51055 1 26 25 MET . 51055 1 27 26 PHE . 51055 1 28 27 ASP . 51055 1 29 28 VAL . 51055 1 30 29 ASP . 51055 1 31 30 GLU . 51055 1 32 31 LEU . 51055 1 33 32 LEU . 51055 1 34 33 ARG . 51055 1 35 34 ASP . 51055 1 36 35 LEU . 51055 1 37 36 ASN . 51055 1 38 37 GLY . 51055 1 39 38 ASP . 51055 1 40 39 ASP . 51055 1 41 40 VAL . 51055 1 42 41 PHE . 51055 1 43 42 ALA . 51055 1 44 43 GLY . 51055 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 51055 1 . GLN 2 2 51055 1 . ASP 3 3 51055 1 . SER 4 4 51055 1 . LEU 5 5 51055 1 . SER 6 6 51055 1 . VAL 7 7 51055 1 . ALA 8 8 51055 1 . ASP 9 9 51055 1 . TYR 10 10 51055 1 . GLY 11 11 51055 1 . TRP 12 12 51055 1 . PRO 13 13 51055 1 . ASN 14 14 51055 1 . ASP 15 15 51055 1 . VAL 16 16 51055 1 . ASP 17 17 51055 1 . GLN 18 18 51055 1 . SER 19 19 51055 1 . HIS 20 20 51055 1 . LEU 21 21 51055 1 . ASP 22 22 51055 1 . SER 23 23 51055 1 . SER 24 24 51055 1 . ASP 25 25 51055 1 . MET 26 26 51055 1 . PHE 27 27 51055 1 . ASP 28 28 51055 1 . VAL 29 29 51055 1 . ASP 30 30 51055 1 . GLU 31 31 51055 1 . LEU 32 32 51055 1 . LEU 33 33 51055 1 . ARG 34 34 51055 1 . ASP 35 35 51055 1 . LEU 36 36 51055 1 . ASN 37 37 51055 1 . GLY 38 38 51055 1 . ASP 39 39 51055 1 . ASP 40 40 51055 1 . VAL 41 41 51055 1 . PHE 42 42 51055 1 . ALA 43 43 51055 1 . GLY 44 44 51055 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51055 _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 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . AT5G05410 . 51055 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 51055 _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' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . plasmid . . pGEX-4T1 . . 'Expressed at 37 C' 51055 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51055 _Sample.ID 1 _Sample.Name '13C15N DREB2A 234-276' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 D2O 'natural abundance' . . . . . . 10 . . % . . . . 51055 1 2 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 51055 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51055 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 51055 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 51055 1 6 DREB2A '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 200 . . uM . . . . 51055 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 51055 _Sample_condition_list.ID 1 _Sample_condition_list.Name default _Sample_condition_list.Details '20 mM NaPO4, pH 7.0, 100 mM NaCl, 25C' 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 0.1 pH 51055 1 temperature 298 1 K 51055 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51055 _Software.ID 1 _Software.Type . _Software.Name ANALYSIS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51055 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51055 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51055 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51055 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51055 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 51055 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker AVANCE 800 MHz' _NMR_spectrometer.Details 'Equipped with cryogenic probe' _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 51055 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name 'Bruker AVANCE 750 MHz' _NMR_spectrometer.Details 'Equipped with cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51055 _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-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51055 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51055 1 3 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51055 1 4 'T1/R1 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51055 1 5 'T2/R2 relaxation' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51055 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 51055 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name default _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 internal indirect 0.25145 . . . . . 51055 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51055 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.10133 . . . . . 51055 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 51055 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name '13C15N DREB2A' _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-15N HSQC' . . . 51055 1 2 '3D HNCACB' . . . 51055 1 3 '3D HN(CO)CACB' . . . 51055 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 $software_1 . . 51055 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 2 2 GLN C C 13 175.742 . . 1 . . . . . 1 GLN C . 51055 1 2 . 1 . 1 2 2 GLN CA C 13 56.306 . . 1 . . . . . 1 GLN CA . 51055 1 3 . 1 . 1 2 2 GLN CB C 13 29.507 . . 1 . . . . . 1 GLN CB . 51055 1 4 . 1 . 1 3 3 ASP H H 1 8.557 . . 1 . . . . . 2 ASP H . 51055 1 5 . 1 . 1 3 3 ASP C C 13 176.413 . . 1 . . . . . 2 ASP C . 51055 1 6 . 1 . 1 3 3 ASP CA C 13 54.528 . . 1 . . . . . 2 ASP CA . 51055 1 7 . 1 . 1 3 3 ASP CB C 13 41.231 . . 1 . . . . . 2 ASP CB . 51055 1 8 . 1 . 1 3 3 ASP N N 15 121.529 . . 1 . . . . . 2 ASP N . 51055 1 9 . 1 . 1 4 4 SER H H 1 8.260 . . 1 . . . . . 3 SER H . 51055 1 10 . 1 . 1 4 4 SER C C 13 174.537 . . 1 . . . . . 3 SER C . 51055 1 11 . 1 . 1 4 4 SER CA C 13 58.702 . . 1 . . . . . 3 SER CA . 51055 1 12 . 1 . 1 4 4 SER CB C 13 63.814 . . 1 . . . . . 3 SER CB . 51055 1 13 . 1 . 1 4 4 SER N N 15 115.973 . . 1 . . . . . 3 SER N . 51055 1 14 . 1 . 1 5 5 LEU H H 1 8.273 . . 1 . . . . . 4 LEU H . 51055 1 15 . 1 . 1 5 5 LEU C C 13 177.519 . . 1 . . . . . 4 LEU C . 51055 1 16 . 1 . 1 5 5 LEU CA C 13 55.344 . . 1 . . . . . 4 LEU CA . 51055 1 17 . 1 . 1 5 5 LEU CB C 13 42.400 . . 1 . . . . . 4 LEU CB . 51055 1 18 . 1 . 1 5 5 LEU N N 15 123.696 . . 1 . . . . . 4 LEU N . 51055 1 19 . 1 . 1 6 6 SER H H 1 8.319 . . 1 . . . . . 5 SER H . 51055 1 20 . 1 . 1 6 6 SER C C 13 174.596 . . 1 . . . . . 5 SER C . 51055 1 21 . 1 . 1 6 6 SER CA C 13 58.184 . . 1 . . . . . 5 SER CA . 51055 1 22 . 1 . 1 6 6 SER CB C 13 63.949 . . 1 . . . . . 5 SER CB . 51055 1 23 . 1 . 1 6 6 SER N N 15 116.857 . . 1 . . . . . 5 SER N . 51055 1 24 . 1 . 1 7 7 VAL H H 1 8.083 . . 1 . . . . . 6 VAL H . 51055 1 25 . 1 . 1 7 7 VAL C C 13 175.990 . . 1 . . . . . 6 VAL C . 51055 1 26 . 1 . 1 7 7 VAL CA C 13 62.445 . . 1 . . . . . 6 VAL CA . 51055 1 27 . 1 . 1 7 7 VAL CB C 13 32.631 . . 1 . . . . . 6 VAL CB . 51055 1 28 . 1 . 1 7 7 VAL N N 15 121.514 . . 1 . . . . . 6 VAL N . 51055 1 29 . 1 . 1 8 8 ALA H H 1 8.219 . . 1 . . . . . 7 ALA H . 51055 1 30 . 1 . 1 8 8 ALA C C 13 177.265 . . 1 . . . . . 7 ALA C . 51055 1 31 . 1 . 1 8 8 ALA CA C 13 52.595 . . 1 . . . . . 7 ALA CA . 51055 1 32 . 1 . 1 8 8 ALA CB C 13 19.233 . . 1 . . . . . 7 ALA CB . 51055 1 33 . 1 . 1 8 8 ALA N N 15 126.689 . . 1 . . . . . 7 ALA N . 51055 1 34 . 1 . 1 9 9 ASP H H 1 8.052 . . 1 . . . . . 8 ASP H . 51055 1 35 . 1 . 1 9 9 ASP C C 13 175.973 . . 1 . . . . . 8 ASP C . 51055 1 36 . 1 . 1 9 9 ASP CA C 13 54.225 . . 1 . . . . . 8 ASP CA . 51055 1 37 . 1 . 1 9 9 ASP CB C 13 41.298 . . 1 . . . . . 8 ASP CB . 51055 1 38 . 1 . 1 9 9 ASP N N 15 119.125 . . 1 . . . . . 8 ASP N . 51055 1 39 . 1 . 1 10 10 TYR H H 1 7.986 . . 1 . . . . . 9 TYR H . 51055 1 40 . 1 . 1 10 10 TYR C C 13 176.250 . . 1 . . . . . 9 TYR C . 51055 1 41 . 1 . 1 10 10 TYR CA C 13 58.050 . . 1 . . . . . 9 TYR CA . 51055 1 42 . 1 . 1 10 10 TYR CB C 13 38.537 . . 1 . . . . . 9 TYR CB . 51055 1 43 . 1 . 1 10 10 TYR N N 15 120.369 . . 1 . . . . . 9 TYR N . 51055 1 44 . 1 . 1 11 11 GLY H H 1 8.156 . . 1 . . . . . 10 GLY H . 51055 1 45 . 1 . 1 11 11 GLY C C 13 173.417 . . 1 . . . . . 10 GLY C . 51055 1 46 . 1 . 1 11 11 GLY CA C 13 45.247 . . 1 . . . . . 10 GLY CA . 51055 1 47 . 1 . 1 11 11 GLY N N 15 109.880 . . 1 . . . . . 10 GLY N . 51055 1 48 . 1 . 1 12 12 TRP H H 1 7.962 . . 1 . . . . . 11 TRP H . 51055 1 49 . 1 . 1 12 12 TRP C C 13 174.649 . . 1 . . . . . 11 TRP C . 51055 1 50 . 1 . 1 12 12 TRP CA C 13 55.169 . . 1 . . . . . 11 TRP CA . 51055 1 51 . 1 . 1 12 12 TRP CB C 13 28.972 . . 1 . . . . . 11 TRP CB . 51055 1 52 . 1 . 1 12 12 TRP N N 15 122.280 . . 1 . . . . . 11 TRP N . 51055 1 53 . 1 . 1 13 13 PRO C C 13 176.753 . . 1 . . . . . 12 PRO C . 51055 1 54 . 1 . 1 13 13 PRO CA C 13 63.548 . . 1 . . . . . 12 PRO CA . 51055 1 55 . 1 . 1 13 13 PRO CB C 13 31.994 . . 1 . . . . . 12 PRO CB . 51055 1 56 . 1 . 1 14 14 ASN H H 1 8.411 . . 1 . . . . . 13 ASN H . 51055 1 57 . 1 . 1 14 14 ASN C C 13 175.016 . . 1 . . . . . 13 ASN C . 51055 1 58 . 1 . 1 14 14 ASN CA C 13 53.568 . . 1 . . . . . 13 ASN CA . 51055 1 59 . 1 . 1 14 14 ASN CB C 13 39.135 . . 1 . . . . . 13 ASN CB . 51055 1 60 . 1 . 1 14 14 ASN N N 15 118.581 . . 1 . . . . . 13 ASN N . 51055 1 61 . 1 . 1 15 15 ASP H H 1 8.341 . . 1 . . . . . 14 ASP H . 51055 1 62 . 1 . 1 15 15 ASP C C 13 176.288 . . 1 . . . . . 14 ASP C . 51055 1 63 . 1 . 1 15 15 ASP CA C 13 54.351 . . 1 . . . . . 14 ASP CA . 51055 1 64 . 1 . 1 15 15 ASP CB C 13 41.093 . . 1 . . . . . 14 ASP CB . 51055 1 65 . 1 . 1 15 15 ASP N N 15 120.209 . . 1 . . . . . 14 ASP N . 51055 1 66 . 1 . 1 16 16 VAL H H 1 7.972 . . 1 . . . . . 15 VAL H . 51055 1 67 . 1 . 1 16 16 VAL C C 13 175.960 . . 1 . . . . . 15 VAL C . 51055 1 68 . 1 . 1 16 16 VAL CA C 13 62.480 . . 1 . . . . . 15 VAL CA . 51055 1 69 . 1 . 1 16 16 VAL CB C 13 32.804 . . 1 . . . . . 15 VAL CB . 51055 1 70 . 1 . 1 16 16 VAL N N 15 119.433 . . 1 . . . . . 15 VAL N . 51055 1 71 . 1 . 1 17 17 ASP H H 1 8.394 . . 1 . . . . . 16 ASP H . 51055 1 72 . 1 . 1 17 17 ASP C C 13 176.582 . . 1 . . . . . 16 ASP C . 51055 1 73 . 1 . 1 17 17 ASP CA C 13 54.482 . . 1 . . . . . 16 ASP CA . 51055 1 74 . 1 . 1 17 17 ASP CB C 13 41.209 . . 1 . . . . . 16 ASP CB . 51055 1 75 . 1 . 1 17 17 ASP N N 15 123.746 . . 1 . . . . . 16 ASP N . 51055 1 76 . 1 . 1 18 18 GLN H H 1 8.368 . . 1 . . . . . 17 GLN H . 51055 1 77 . 1 . 1 18 18 GLN C C 13 176.512 . . 1 . . . . . 17 GLN C . 51055 1 78 . 1 . 1 18 18 GLN CA C 13 56.196 . . 1 . . . . . 17 GLN CA . 51055 1 79 . 1 . 1 18 18 GLN CB C 13 29.035 . . 1 . . . . . 17 GLN CB . 51055 1 80 . 1 . 1 18 18 GLN N N 15 121.741 . . 1 . . . . . 17 GLN N . 51055 1 81 . 1 . 1 19 19 SER H H 1 8.419 . . 1 . . . . . 18 SER H . 51055 1 82 . 1 . 1 19 19 SER C C 13 174.677 . . 1 . . . . . 18 SER C . 51055 1 83 . 1 . 1 19 19 SER CA C 13 59.568 . . 1 . . . . . 18 SER CA . 51055 1 84 . 1 . 1 19 19 SER CB C 13 63.723 . . 1 . . . . . 18 SER CB . 51055 1 85 . 1 . 1 19 19 SER N N 15 116.472 . . 1 . . . . . 18 SER N . 51055 1 86 . 1 . 1 20 20 HIS C C 13 175.000 . . 1 . . . . . 19 HIS C . 51055 1 87 . 1 . 1 20 20 HIS CA C 13 56.195 . . 1 . . . . . 19 HIS CA . 51055 1 88 . 1 . 1 20 20 HIS CB C 13 29.752 . . 1 . . . . . 19 HIS CB . 51055 1 89 . 1 . 1 21 21 LEU H H 1 7.959 . . 1 . . . . . 20 LEU H . 51055 1 90 . 1 . 1 21 21 LEU C C 13 177.091 . . 1 . . . . . 20 LEU C . 51055 1 91 . 1 . 1 21 21 LEU CA C 13 55.305 . . 1 . . . . . 20 LEU CA . 51055 1 92 . 1 . 1 21 21 LEU CB C 13 42.447 . . 1 . . . . . 20 LEU CB . 51055 1 93 . 1 . 1 21 21 LEU N N 15 122.858 . . 1 . . . . . 20 LEU N . 51055 1 94 . 1 . 1 22 22 ASP H H 1 8.381 . . 1 . . . . . 21 ASP H . 51055 1 95 . 1 . 1 22 22 ASP C C 13 176.443 . . 1 . . . . . 21 ASP C . 51055 1 96 . 1 . 1 22 22 ASP CA C 13 54.397 . . 1 . . . . . 21 ASP CA . 51055 1 97 . 1 . 1 22 22 ASP CB C 13 41.387 . . 1 . . . . . 21 ASP CB . 51055 1 98 . 1 . 1 22 22 ASP N N 15 121.331 . . 1 . . . . . 21 ASP N . 51055 1 99 . 1 . 1 23 23 SER H H 1 8.247 . . 1 . . . . . 22 SER H . 51055 1 100 . 1 . 1 23 23 SER C C 13 174.998 . . 1 . . . . . 22 SER C . 51055 1 101 . 1 . 1 23 23 SER CA C 13 58.512 . . 1 . . . . . 22 SER CA . 51055 1 102 . 1 . 1 23 23 SER CB C 13 63.858 . . 1 . . . . . 22 SER CB . 51055 1 103 . 1 . 1 23 23 SER N N 15 116.405 . . 1 . . . . . 22 SER N . 51055 1 104 . 1 . 1 24 24 SER H H 1 8.431 . . 1 . . . . . 23 SER H . 51055 1 105 . 1 . 1 24 24 SER C C 13 174.452 . . 1 . . . . . 23 SER C . 51055 1 106 . 1 . 1 24 24 SER CA C 13 59.224 . . 1 . . . . . 23 SER CA . 51055 1 107 . 1 . 1 24 24 SER CB C 13 63.826 . . 1 . . . . . 23 SER CB . 51055 1 108 . 1 . 1 24 24 SER N N 15 117.962 . . 1 . . . . . 23 SER N . 51055 1 109 . 1 . 1 25 25 ASP H H 1 8.300 . . 1 . . . . . 24 ASP H . 51055 1 110 . 1 . 1 25 25 ASP C C 13 176.187 . . 1 . . . . . 24 ASP C . 51055 1 111 . 1 . 1 25 25 ASP CA C 13 54.615 . . 1 . . . . . 24 ASP CA . 51055 1 112 . 1 . 1 25 25 ASP CB C 13 41.199 . . 1 . . . . . 24 ASP CB . 51055 1 113 . 1 . 1 25 25 ASP N N 15 121.950 . . 1 . . . . . 24 ASP N . 51055 1 114 . 1 . 1 26 26 MET H H 1 8.050 . . 1 . . . . . 25 MET H . 51055 1 115 . 1 . 1 26 26 MET C C 13 175.799 . . 1 . . . . . 25 MET C . 51055 1 116 . 1 . 1 26 26 MET CA C 13 55.606 . . 1 . . . . . 25 MET CA . 51055 1 117 . 1 . 1 26 26 MET CB C 13 32.759 . . 1 . . . . . 25 MET CB . 51055 1 118 . 1 . 1 26 26 MET N N 15 119.524 . . 1 . . . . . 25 MET N . 51055 1 119 . 1 . 1 27 27 PHE H H 1 8.069 . . 1 . . . . . 26 PHE H . 51055 1 120 . 1 . 1 27 27 PHE C C 13 175.269 . . 1 . . . . . 26 PHE C . 51055 1 121 . 1 . 1 27 27 PHE CA C 13 57.656 . . 1 . . . . . 26 PHE CA . 51055 1 122 . 1 . 1 27 27 PHE CB C 13 39.772 . . 1 . . . . . 26 PHE CB . 51055 1 123 . 1 . 1 27 27 PHE N N 15 120.373 . . 1 . . . . . 26 PHE N . 51055 1 124 . 1 . 1 28 28 ASP H H 1 8.345 . . 1 . . . . . 27 ASP H . 51055 1 125 . 1 . 1 28 28 ASP C C 13 176.242 . . 1 . . . . . 27 ASP C . 51055 1 126 . 1 . 1 28 28 ASP CA C 13 54.070 . . 1 . . . . . 27 ASP CA . 51055 1 127 . 1 . 1 28 28 ASP CB C 13 41.299 . . 1 . . . . . 27 ASP CB . 51055 1 128 . 1 . 1 28 28 ASP N N 15 122.284 . . 1 . . . . . 27 ASP N . 51055 1 129 . 1 . 1 29 29 VAL H H 1 8.080 . . 1 . . . . . 28 VAL H . 51055 1 130 . 1 . 1 29 29 VAL C C 13 176.156 . . 1 . . . . . 28 VAL C . 51055 1 131 . 1 . 1 29 29 VAL CA C 13 62.867 . . 1 . . . . . 28 VAL CA . 51055 1 132 . 1 . 1 29 29 VAL CB C 13 32.483 . . 1 . . . . . 28 VAL CB . 51055 1 133 . 1 . 1 29 29 VAL N N 15 120.379 . . 1 . . . . . 28 VAL N . 51055 1 134 . 1 . 1 30 30 ASP H H 1 8.337 . . 1 . . . . . 29 ASP H . 51055 1 135 . 1 . 1 30 30 ASP C C 13 177.024 . . 1 . . . . . 29 ASP C . 51055 1 136 . 1 . 1 30 30 ASP CA C 13 55.142 . . 1 . . . . . 29 ASP CA . 51055 1 137 . 1 . 1 30 30 ASP CB C 13 41.201 . . 1 . . . . . 29 ASP CB . 51055 1 138 . 1 . 1 30 30 ASP N N 15 123.107 . . 1 . . . . . 29 ASP N . 51055 1 139 . 1 . 1 31 31 GLU H H 1 8.287 . . 1 . . . . . 30 GLU H . 51055 1 140 . 1 . 1 31 31 GLU C C 13 177.032 . . 1 . . . . . 30 GLU C . 51055 1 141 . 1 . 1 31 31 GLU CA C 13 57.753 . . 1 . . . . . 30 GLU CA . 51055 1 142 . 1 . 1 31 31 GLU CB C 13 30.035 . . 1 . . . . . 30 GLU CB . 51055 1 143 . 1 . 1 31 31 GLU N N 15 121.588 . . 1 . . . . . 30 GLU N . 51055 1 144 . 1 . 1 32 32 LEU H H 1 8.123 . . 1 . . . . . 31 LEU H . 51055 1 145 . 1 . 1 32 32 LEU C C 13 177.861 . . 1 . . . . . 31 LEU C . 51055 1 146 . 1 . 1 32 32 LEU CA C 13 56.016 . . 1 . . . . . 31 LEU CA . 51055 1 147 . 1 . 1 32 32 LEU CB C 13 42.001 . . 1 . . . . . 31 LEU CB . 51055 1 148 . 1 . 1 32 32 LEU N N 15 121.242 . . 1 . . . . . 31 LEU N . 51055 1 149 . 1 . 1 33 33 LEU H H 1 8.017 . . 1 . . . . . 32 LEU H . 51055 1 150 . 1 . 1 33 33 LEU C C 13 177.568 . . 1 . . . . . 32 LEU C . 51055 1 151 . 1 . 1 33 33 LEU CA C 13 55.356 . . 1 . . . . . 32 LEU CA . 51055 1 152 . 1 . 1 33 33 LEU CB C 13 41.978 . . 1 . . . . . 32 LEU CB . 51055 1 153 . 1 . 1 33 33 LEU N N 15 121.154 . . 1 . . . . . 32 LEU N . 51055 1 154 . 1 . 1 34 34 ARG H H 1 7.955 . . 1 . . . . . 33 ARG H . 51055 1 155 . 1 . 1 34 34 ARG C C 13 176.214 . . 1 . . . . . 33 ARG C . 51055 1 156 . 1 . 1 34 34 ARG CA C 13 56.646 . . 1 . . . . . 33 ARG CA . 51055 1 157 . 1 . 1 34 34 ARG CB C 13 31.056 . . 1 . . . . . 33 ARG CB . 51055 1 158 . 1 . 1 34 34 ARG N N 15 120.998 . . 1 . . . . . 33 ARG N . 51055 1 159 . 1 . 1 35 35 ASP H H 1 8.310 . . 1 . . . . . 34 ASP H . 51055 1 160 . 1 . 1 35 35 ASP C C 13 176.583 . . 1 . . . . . 34 ASP C . 51055 1 161 . 1 . 1 35 35 ASP CA C 13 54.436 . . 1 . . . . . 34 ASP CA . 51055 1 162 . 1 . 1 35 35 ASP CB C 13 41.136 . . 1 . . . . . 34 ASP CB . 51055 1 163 . 1 . 1 35 35 ASP N N 15 120.875 . . 1 . . . . . 34 ASP N . 51055 1 164 . 1 . 1 36 36 LEU H H 1 8.173 . . 1 . . . . . 35 LEU H . 51055 1 165 . 1 . 1 36 36 LEU C C 13 177.570 . . 1 . . . . . 35 LEU C . 51055 1 166 . 1 . 1 36 36 LEU CA C 13 55.597 . . 1 . . . . . 35 LEU CA . 51055 1 167 . 1 . 1 36 36 LEU CB C 13 42.214 . . 1 . . . . . 35 LEU CB . 51055 1 168 . 1 . 1 36 36 LEU N N 15 122.638 . . 1 . . . . . 35 LEU N . 51055 1 169 . 1 . 1 37 37 ASN H H 1 8.444 . . 1 . . . . . 36 ASN H . 51055 1 170 . 1 . 1 37 37 ASN C C 13 175.799 . . 1 . . . . . 36 ASN C . 51055 1 171 . 1 . 1 37 37 ASN CA C 13 53.601 . . 1 . . . . . 36 ASN CA . 51055 1 172 . 1 . 1 37 37 ASN CB C 13 39.310 . . 1 . . . . . 36 ASN CB . 51055 1 173 . 1 . 1 37 37 ASN N N 15 118.589 . . 1 . . . . . 36 ASN N . 51055 1 174 . 1 . 1 38 38 GLY H H 1 8.285 . . 1 . . . . . 37 GLY H . 51055 1 175 . 1 . 1 38 38 GLY C C 13 174.091 . . 1 . . . . . 37 GLY C . 51055 1 176 . 1 . 1 38 38 GLY CA C 13 45.550 . . 1 . . . . . 37 GLY CA . 51055 1 177 . 1 . 1 38 38 GLY N N 15 109.197 . . 1 . . . . . 37 GLY N . 51055 1 178 . 1 . 1 39 39 ASP H H 1 8.286 . . 1 . . . . . 38 ASP H . 51055 1 179 . 1 . 1 39 39 ASP C C 13 176.152 . . 1 . . . . . 38 ASP C . 51055 1 180 . 1 . 1 39 39 ASP CA C 13 54.618 . . 1 . . . . . 38 ASP CA . 51055 1 181 . 1 . 1 39 39 ASP CB C 13 41.351 . . 1 . . . . . 38 ASP CB . 51055 1 182 . 1 . 1 39 39 ASP N N 15 120.472 . . 1 . . . . . 38 ASP N . 51055 1 183 . 1 . 1 40 40 ASP H H 1 8.339 . . 1 . . . . . 39 ASP H . 51055 1 184 . 1 . 1 40 40 ASP C C 13 176.288 . . 1 . . . . . 39 ASP C . 51055 1 185 . 1 . 1 40 40 ASP CA C 13 54.388 . . 1 . . . . . 39 ASP CA . 51055 1 186 . 1 . 1 40 40 ASP CB C 13 41.147 . . 1 . . . . . 39 ASP CB . 51055 1 187 . 1 . 1 40 40 ASP N N 15 120.360 . . 1 . . . . . 39 ASP N . 51055 1 188 . 1 . 1 41 41 VAL H H 1 7.938 . . 1 . . . . . 40 VAL H . 51055 1 189 . 1 . 1 41 41 VAL C C 13 175.973 . . 1 . . . . . 40 VAL C . 51055 1 190 . 1 . 1 41 41 VAL CA C 13 62.461 . . 1 . . . . . 40 VAL CA . 51055 1 191 . 1 . 1 41 41 VAL CB C 13 32.646 . . 1 . . . . . 40 VAL CB . 51055 1 192 . 1 . 1 41 41 VAL N N 15 119.775 . . 1 . . . . . 40 VAL N . 51055 1 193 . 1 . 1 42 42 PHE H H 1 8.363 . . 1 . . . . . 41 PHE H . 51055 1 194 . 1 . 1 42 42 PHE C C 13 175.377 . . 1 . . . . . 41 PHE C . 51055 1 195 . 1 . 1 42 42 PHE CA C 13 57.959 . . 1 . . . . . 41 PHE CA . 51055 1 196 . 1 . 1 42 42 PHE CB C 13 39.474 . . 1 . . . . . 41 PHE CB . 51055 1 197 . 1 . 1 42 42 PHE N N 15 124.202 . . 1 . . . . . 41 PHE N . 51055 1 198 . 1 . 1 43 43 ALA H H 1 8.203 . . 1 . . . . . 42 ALA H . 51055 1 199 . 1 . 1 43 43 ALA C C 13 176.638 . . 1 . . . . . 42 ALA C . 51055 1 200 . 1 . 1 43 43 ALA CA C 13 52.319 . . 1 . . . . . 42 ALA CA . 51055 1 201 . 1 . 1 43 43 ALA CB C 13 19.487 . . 1 . . . . . 42 ALA CB . 51055 1 202 . 1 . 1 43 43 ALA N N 15 127.800 . . 1 . . . . . 42 ALA N . 51055 1 203 . 1 . 1 44 44 GLY H H 1 7.137 . . 1 . . . . . 43 GLY H . 51055 1 204 . 1 . 1 44 44 GLY C C 13 178.939 . . 1 . . . . . 43 GLY C . 51055 1 205 . 1 . 1 44 44 GLY CA C 13 46.180 . . 1 . . . . . 43 GLY CA . 51055 1 206 . 1 . 1 44 44 GLY N N 15 113.866 . . 1 . . . . . 43 GLY N . 51055 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51055 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name '13C15N DREB2A 234-276 T1' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 800 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units ms _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 4 'T1/R1 relaxation' . . . 51055 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 51055 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 3 3 ASP N N 15 960.69375 41.08161 . . . . . 51055 1 2 . 1 1 4 4 SER N N 15 831.58492 24.21128 . . . . . 51055 1 3 . 1 1 5 5 LEU N N 15 710.20707 12.07531 . . . . . 51055 1 4 . 1 1 6 6 SER N N 15 711.53236 13.34812 . . . . . 51055 1 5 . 1 1 7 7 VAL N N 15 719.89004 9.79134 . . . . . 51055 1 6 . 1 1 8 8 ALA N N 15 651.41104 8.72067 . . . . . 51055 1 7 . 1 1 9 9 ASP N N 15 658.60635 5.53235 . . . . . 51055 1 8 . 1 1 10 10 TYR N N 15 657.49785 5.09698 . . . . . 51055 1 9 . 1 1 11 11 GLY N N 15 611.14340 7.96295 . . . . . 51055 1 10 . 1 1 12 12 TRP N N 15 622.29435 8.50382 . . . . . 51055 1 11 . 1 1 14 14 ASN N N 15 647.50338 12.22171 . . . . . 51055 1 12 . 1 1 15 15 ASP N N 15 600.58880 5.85345 . . . . . 51055 1 13 . 1 1 16 16 VAL N N 15 616.76012 3.23853 . . . . . 51055 1 14 . 1 1 17 17 ASP N N 15 571.61153 4.98143 . . . . . 51055 1 15 . 1 1 18 18 GLN N N 15 645.27298 5.82675 . . . . . 51055 1 16 . 1 1 19 19 SER N N 15 601.14672 11.02554 . . . . . 51055 1 17 . 1 1 21 21 LEU N N 15 594.14525 7.39345 . . . . . 51055 1 18 . 1 1 22 22 ASP N N 15 605.49793 7.69591 . . . . . 51055 1 19 . 1 1 23 23 SER N N 15 648.34505 10.04815 . . . . . 51055 1 20 . 1 1 24 24 SER N N 15 665.31506 12.69538 . . . . . 51055 1 21 . 1 1 25 25 ASP N N 15 599.93068 5.1373 . . . . . 51055 1 22 . 1 1 26 26 MET N N 15 615.80865 6.28495 . . . . . 51055 1 23 . 1 1 27 27 PHE N N 15 651.20560 3.81642 . . . . . 51055 1 24 . 1 1 28 28 ASP N N 15 606.08665 4.6665 . . . . . 51055 1 25 . 1 1 29 29 VAL N N 15 614.04343 3.60304 . . . . . 51055 1 26 . 1 1 30 30 ASP N N 15 590.31809 4.32733 . . . . . 51055 1 27 . 1 1 31 31 GLU N N 15 572.26714 4.18456 . . . . . 51055 1 28 . 1 1 32 32 LEU N N 15 576.53474 4.22691 . . . . . 51055 1 29 . 1 1 33 33 LEU N N 15 592.31182 3.21579 . . . . . 51055 1 30 . 1 1 34 34 ARG N N 15 602.59129 6.651 . . . . . 51055 1 31 . 1 1 35 35 ASP N N 15 576.65092 4.64609 . . . . . 51055 1 32 . 1 1 36 36 LEU N N 15 616.80485 6.14522 . . . . . 51055 1 33 . 1 1 37 37 ASN N N 15 644.94131 6.9193 . . . . . 51055 1 34 . 1 1 38 38 GLY N N 15 685.93621 9.65366 . . . . . 51055 1 35 . 1 1 39 39 ASP N N 15 638.51134 4.41068 . . . . . 51055 1 36 . 1 1 40 40 ASP N N 15 671.01829 5.28501 . . . . . 51055 1 37 . 1 1 41 41 VAL N N 15 787.22218 6.08939 . . . . . 51055 1 38 . 1 1 42 42 PHE N N 15 728.44071 9.00306 . . . . . 51055 1 39 . 1 1 43 43 ALA N N 15 958.72877 14.6103 . . . . . 51055 1 40 . 1 1 44 44 GLY N N 15 1727.81681 31.0381 . . . . . 51055 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51055 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name '13C15N DREB2A 234-276 T2' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method 'no calibration applied' _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 800 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units ms _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 5 'T2/R2 relaxation' . . . 51055 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 51055 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 3 3 ASP N N 15 408.23705 12.19629 . . . . . . . 51055 1 2 . 1 1 4 4 SER N N 15 446.06955 17.63314 . . . . . . . 51055 1 3 . 1 1 5 5 LEU N N 15 368.64574 5.32222 . . . . . . . 51055 1 4 . 1 1 6 6 SER N N 15 304.14527 2.56369 . . . . . . . 51055 1 5 . 1 1 7 7 VAL N N 15 390.12794 5.75785 . . . . . . . 51055 1 6 . 1 1 8 8 ALA N N 15 266.16772 4.11245 . . . . . . . 51055 1 7 . 1 1 9 9 ASP N N 15 348.43090 5.31566 . . . . . . . 51055 1 8 . 1 1 10 10 TYR N N 15 359.59165 5.57715 . . . . . . . 51055 1 9 . 1 1 11 11 GLY N N 15 256.84256 4.50084 . . . . . . . 51055 1 10 . 1 1 12 12 TRP N N 15 340.77092 4.65753 . . . . . . . 51055 1 11 . 1 1 14 14 ASN N N 15 303.57294 3.71053 . . . . . . . 51055 1 12 . 1 1 15 15 ASP N N 15 259.74375 2.19957 . . . . . . . 51055 1 13 . 1 1 16 16 VAL N N 15 366.78842 3.69594 . . . . . . . 51055 1 14 . 1 1 17 17 ASP N N 15 262.44051 2.92823 . . . . . . . 51055 1 15 . 1 1 18 18 GLN N N 15 294.12922 4.79077 . . . . . . . 51055 1 16 . 1 1 19 19 SER N N 15 268.27102 3.73593 . . . . . . . 51055 1 17 . 1 1 21 21 LEU N N 15 232.91208 1.88991 . . . . . . . 51055 1 18 . 1 1 22 22 ASP N N 15 295.94450 2.95984 . . . . . . . 51055 1 19 . 1 1 23 23 SER N N 15 326.65017 5.23682 . . . . . . . 51055 1 20 . 1 1 24 24 SER N N 15 310.41822 3.84455 . . . . . . . 51055 1 21 . 1 1 25 25 ASP N N 15 309.49118 4.14252 . . . . . . . 51055 1 22 . 1 1 26 26 MET N N 15 341.65552 5.11613 . . . . . . . 51055 1 23 . 1 1 27 27 PHE N N 15 347.33299 4.00312 . . . . . . . 51055 1 24 . 1 1 28 28 ASP N N 15 315.49471 3.24724 . . . . . . . 51055 1 25 . 1 1 29 29 VAL N N 15 312.48546 2.16357 . . . . . . . 51055 1 26 . 1 1 30 30 ASP N N 15 284.35615 2.18162 . . . . . . . 51055 1 27 . 1 1 31 31 GLU N N 15 288.31563 1.38051 . . . . . . . 51055 1 28 . 1 1 32 32 LEU N N 15 299.64203 1.97725 . . . . . . . 51055 1 29 . 1 1 33 33 LEU N N 15 302.41934 2.09309 . . . . . . . 51055 1 30 . 1 1 34 34 ARG N N 15 313.44976 3.43331 . . . . . . . 51055 1 31 . 1 1 35 35 ASP N N 15 292.26537 3.13082 . . . . . . . 51055 1 32 . 1 1 36 36 LEU N N 15 335.17440 2.48369 . . . . . . . 51055 1 33 . 1 1 37 37 ASN N N 15 340.10984 5.23378 . . . . . . . 51055 1 34 . 1 1 38 38 GLY N N 15 330.35349 4.95041 . . . . . . . 51055 1 35 . 1 1 39 39 ASP N N 15 404.48100 7.49603 . . . . . . . 51055 1 36 . 1 1 40 40 ASP N N 15 425.24433 6.92691 . . . . . . . 51055 1 37 . 1 1 41 41 VAL N N 15 523.69252 7.58477 . . . . . . . 51055 1 38 . 1 1 42 42 PHE N N 15 440.26978 6.20694 . . . . . . . 51055 1 39 . 1 1 43 43 ALA N N 15 237.10240 6.47504 . . . . . . . 51055 1 40 . 1 1 44 44 GLY N N 15 1034.02393 48.62346 . . . . . . . 51055 1 stop_ save_