data_50583 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50583 _Entry.Title ; 1H, 13C, and 15N resonance assignments of combined SIB1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-19 _Entry.Accession_date 2020-11-19 _Entry.Last_release_date 2020-11-19 _Entry.Original_release_date 2020-11-19 _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 . _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 Lulu Yu . . . . 50583 2 Yunfei Hu . . . . 50583 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50583 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 116 50583 '15N chemical shifts' 50 50583 '1H chemical shifts' 51 50583 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 . . 2024-09-16 . original BMRB . 50583 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50579 WRKY33-C(352-422) 50583 BMRB 50580 WRKY33-C(D331-A422) 50583 BMRB 50581 'combined WRKY33-C' 50583 BMRB 50582 SIB1 50583 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50583 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38734744 _Citation.DOI 10.1038/s42003-024-06258-7 _Citation.Full_citation . _Citation.Title ; Structural basis for the regulation of plant transcription factor WRKY33 by the VQ protein SIB1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Commun. Biol.' _Citation.Journal_name_full 'Communications biology' _Citation.Journal_volume 7 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2399-3642 _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 561 _Citation.Page_last 561 _Citation.Year 2024 _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 Xu Dong X. . . . 50583 1 2 Lulu Yu L. . . . 50583 1 3 Qiang Zhang Q. . . . 50583 1 4 Ju Yang J. . . . 50583 1 5 Zhou Gong Z. . . . 50583 1 6 Xiaogang Niu X. . . . 50583 1 7 Hongwei Li H. . . . 50583 1 8 Xu Zhang X. . . . 50583 1 9 Maili Liu M. . . . 50583 1 10 Changwen Jin C. . . . 50583 1 11 Yunfei Hu Y. . . . 50583 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50583 _Assembly.ID 1 _Assembly.Name 'Combined SIB1' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _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 SIB1 1 $entity_1 . . yes native no no . . . 50583 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50583 _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 ; MTTSLDKKKPSPVSRKSPKQ KKKTTSTNKPIKVRYISNPM RVQTCASKFRELVQELTGQD AVDLQPEPIYSPSSDDHNLS PPAENLAPRVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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_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 . MET . 50583 1 2 . THR . 50583 1 3 . THR . 50583 1 4 . SER . 50583 1 5 . LEU . 50583 1 6 . ASP . 50583 1 7 . LYS . 50583 1 8 . LYS . 50583 1 9 . LYS . 50583 1 10 . PRO . 50583 1 11 . SER . 50583 1 12 . PRO . 50583 1 13 . VAL . 50583 1 14 . SER . 50583 1 15 . ARG . 50583 1 16 . LYS . 50583 1 17 . SER . 50583 1 18 . PRO . 50583 1 19 . LYS . 50583 1 20 . GLN . 50583 1 21 . LYS . 50583 1 22 . LYS . 50583 1 23 . LYS . 50583 1 24 . THR . 50583 1 25 . THR . 50583 1 26 . SER . 50583 1 27 . THR . 50583 1 28 . ASN . 50583 1 29 . LYS . 50583 1 30 . PRO . 50583 1 31 . ILE . 50583 1 32 . LYS . 50583 1 33 . VAL . 50583 1 34 . ARG . 50583 1 35 . TYR . 50583 1 36 . ILE . 50583 1 37 . SER . 50583 1 38 . ASN . 50583 1 39 . PRO . 50583 1 40 . MET . 50583 1 41 . ARG . 50583 1 42 . VAL . 50583 1 43 . GLN . 50583 1 44 . THR . 50583 1 45 . CYS . 50583 1 46 . ALA . 50583 1 47 . SER . 50583 1 48 . LYS . 50583 1 49 . PHE . 50583 1 50 . ARG . 50583 1 51 . GLU . 50583 1 52 . LEU . 50583 1 53 . VAL . 50583 1 54 . GLN . 50583 1 55 . GLU . 50583 1 56 . LEU . 50583 1 57 . THR . 50583 1 58 . GLY . 50583 1 59 . GLN . 50583 1 60 . ASP . 50583 1 61 . ALA . 50583 1 62 . VAL . 50583 1 63 . ASP . 50583 1 64 . LEU . 50583 1 65 . GLN . 50583 1 66 . PRO . 50583 1 67 . GLU . 50583 1 68 . PRO . 50583 1 69 . ILE . 50583 1 70 . TYR . 50583 1 71 . SER . 50583 1 72 . PRO . 50583 1 73 . SER . 50583 1 74 . SER . 50583 1 75 . ASP . 50583 1 76 . ASP . 50583 1 77 . HIS . 50583 1 78 . ASN . 50583 1 79 . LEU . 50583 1 80 . SER . 50583 1 81 . PRO . 50583 1 82 . PRO . 50583 1 83 . ALA . 50583 1 84 . GLU . 50583 1 85 . ASN . 50583 1 86 . LEU . 50583 1 87 . ALA . 50583 1 88 . PRO . 50583 1 89 . ARG . 50583 1 90 . VAL . 50583 1 91 . LEU . 50583 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 . MET 1 1 50583 1 . THR 2 2 50583 1 . THR 3 3 50583 1 . SER 4 4 50583 1 . LEU 5 5 50583 1 . ASP 6 6 50583 1 . LYS 7 7 50583 1 . LYS 8 8 50583 1 . LYS 9 9 50583 1 . PRO 10 10 50583 1 . SER 11 11 50583 1 . PRO 12 12 50583 1 . VAL 13 13 50583 1 . SER 14 14 50583 1 . ARG 15 15 50583 1 . LYS 16 16 50583 1 . SER 17 17 50583 1 . PRO 18 18 50583 1 . LYS 19 19 50583 1 . GLN 20 20 50583 1 . LYS 21 21 50583 1 . LYS 22 22 50583 1 . LYS 23 23 50583 1 . THR 24 24 50583 1 . THR 25 25 50583 1 . SER 26 26 50583 1 . THR 27 27 50583 1 . ASN 28 28 50583 1 . LYS 29 29 50583 1 . PRO 30 30 50583 1 . ILE 31 31 50583 1 . LYS 32 32 50583 1 . VAL 33 33 50583 1 . ARG 34 34 50583 1 . TYR 35 35 50583 1 . ILE 36 36 50583 1 . SER 37 37 50583 1 . ASN 38 38 50583 1 . PRO 39 39 50583 1 . MET 40 40 50583 1 . ARG 41 41 50583 1 . VAL 42 42 50583 1 . GLN 43 43 50583 1 . THR 44 44 50583 1 . CYS 45 45 50583 1 . ALA 46 46 50583 1 . SER 47 47 50583 1 . LYS 48 48 50583 1 . PHE 49 49 50583 1 . ARG 50 50 50583 1 . GLU 51 51 50583 1 . LEU 52 52 50583 1 . VAL 53 53 50583 1 . GLN 54 54 50583 1 . GLU 55 55 50583 1 . LEU 56 56 50583 1 . THR 57 57 50583 1 . GLY 58 58 50583 1 . GLN 59 59 50583 1 . ASP 60 60 50583 1 . ALA 61 61 50583 1 . VAL 62 62 50583 1 . ASP 63 63 50583 1 . LEU 64 64 50583 1 . GLN 65 65 50583 1 . PRO 66 66 50583 1 . GLU 67 67 50583 1 . PRO 68 68 50583 1 . ILE 69 69 50583 1 . TYR 70 70 50583 1 . SER 71 71 50583 1 . PRO 72 72 50583 1 . SER 73 73 50583 1 . SER 74 74 50583 1 . ASP 75 75 50583 1 . ASP 76 76 50583 1 . HIS 77 77 50583 1 . ASN 78 78 50583 1 . LEU 79 79 50583 1 . SER 80 80 50583 1 . PRO 81 81 50583 1 . PRO 82 82 50583 1 . ALA 83 83 50583 1 . GLU 84 84 50583 1 . ASN 85 85 50583 1 . LEU 86 86 50583 1 . ALA 87 87 50583 1 . PRO 88 88 50583 1 . ARG 89 89 50583 1 . VAL 90 90 50583 1 . LEU 91 91 50583 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 50583 _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 . . . . . . . . . . . . . 50583 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 50583 _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 . . . plasmid . . pET-21a . . . 50583 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50583 _Sample.ID 1 _Sample.Name Combined_SIB1 _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 'Combined SIB1' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50583 1 2 WRKY33 'natural abundance' . . . . . . 0.5 . . mM . . . . 50583 1 3 D2O '[U-99% 2H]' . . . . . . 10 . . '% v/v' . . . . 50583 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 50583 _Sample_condition_list.ID 1 _Sample_condition_list.Name combined_SIB1 _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' 0.05 . M 50583 1 pH 6.0 . pH 50583 1 pressure 1 . atm 50583 1 temperature 298 . K 50583 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50583 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50583 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50583 _Software.ID 2 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50583 2 'data analysis' . 50583 2 processing . 50583 2 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 50583 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name specrometer_1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 50583 _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' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50583 1 2 '3D CBCA(CO)NH' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50583 1 3 '3D HNCACB' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50583 1 4 '3D HNCA' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50583 1 5 '3D HN(CO)CA' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50583 1 stop_ loop_ _Experiment_file.Experiment_ID _Experiment_file.Experiment_name _Experiment_file.Name _Experiment_file.Type _Experiment_file.Content _Experiment_file.Directory_path _Experiment_file.Details _Experiment_file.Entry_ID _Experiment_file.Experiment_list_ID 1 '2D 1H-15N HSQC' sib1_WRKY33_CN_hsqc_190518.nv . 'NMR experiment directory' . . 50583 1 2 '3D CBCA(CO)NH' cbcaconh.nv . 'NMR experiment directory' . . 50583 1 3 '3D HNCACB' hncacb.nv . 'NMR experiment directory' . . 50583 1 4 '3D HNCA' hnca.nv . 'NMR experiment directory' . . 50583 1 5 '3D HN(CO)CA' hncoca.nv . 'NMR experiment directory' . . 50583 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 50583 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference_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 . . . . . 50583 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50583 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50583 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 50583 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Combined_SIB1(11-100) _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' . . . 50583 1 2 '3D CBCA(CO)NH' . . . 50583 1 3 '3D HNCACB' . . . 50583 1 4 '3D HNCA' . . . 50583 1 5 '3D HN(CO)CA' . . . 50583 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 . . 50583 1 2 $software_2 . . 50583 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 4 4 SER H H 1 8.539 . . . . . . . . 4 S HN . 50583 1 2 . 1 . 1 4 4 SER CA C 13 58.506 . . . . . . . . 4 S CA . 50583 1 3 . 1 . 1 4 4 SER CB C 13 64.011 . . . . . . . . 4 S CB . 50583 1 4 . 1 . 1 4 4 SER N N 15 118.815 . . . . . . . . 4 S N . 50583 1 5 . 1 . 1 5 5 LEU H H 1 8.341 . . . . . . . . 5 L HN . 50583 1 6 . 1 . 1 5 5 LEU CA C 13 55.309 . . . . . . . . 5 L CA . 50583 1 7 . 1 . 1 5 5 LEU CB C 13 42.336 . . . . . . . . 5 L CB . 50583 1 8 . 1 . 1 5 5 LEU N N 15 124.249 . . . . . . . . 5 L N . 50583 1 9 . 1 . 1 6 6 ASP H H 1 8.197 . . . . . . . . 6 D HN . 50583 1 10 . 1 . 1 6 6 ASP CA C 13 54.753 . . . . . . . . 6 D CA . 50583 1 11 . 1 . 1 6 6 ASP CB C 13 41.241 . . . . . . . . 6 D CB . 50583 1 12 . 1 . 1 6 6 ASP N N 15 120.841 . . . . . . . . 6 D N . 50583 1 13 . 1 . 1 7 7 LYS H H 1 8.163 . . . . . . . . 7 K HN . 50583 1 14 . 1 . 1 7 7 LYS CA C 13 56.370 . . . . . . . . 7 K CA . 50583 1 15 . 1 . 1 7 7 LYS CB C 13 32.844 . . . . . . . . 7 K CB . 50583 1 16 . 1 . 1 7 7 LYS N N 15 121.680 . . . . . . . . 7 K N . 50583 1 17 . 1 . 1 8 8 LYS H H 1 8.224 . . . . . . . . 8 K HN . 50583 1 18 . 1 . 1 8 8 LYS CA C 13 56.363 . . . . . . . . 8 K CA . 50583 1 19 . 1 . 1 8 8 LYS CB C 13 32.844 . . . . . . . . 8 K CB . 50583 1 20 . 1 . 1 8 8 LYS N N 15 121.927 . . . . . . . . 8 K N . 50583 1 21 . 1 . 1 9 9 LYS H H 1 8.279 . . . . . . . . 9 K HN . 50583 1 22 . 1 . 1 9 9 LYS CA C 13 54.348 . . . . . . . . 9 K CA . 50583 1 23 . 1 . 1 9 9 LYS CB C 13 32.528 . . . . . . . . 9 K CB . 50583 1 24 . 1 . 1 9 9 LYS N N 15 121.111 . . . . . . . . 9 K N . 50583 1 25 . 1 . 1 10 10 PRO CA C 13 62.673 . . . . . . . . 10 P CA . 50583 1 26 . 1 . 1 10 10 PRO CB C 13 32.240 . . . . . . . . 10 P CB . 50583 1 27 . 1 . 1 11 11 SER H H 1 8.486 . . . . . . . . 11 S HN . 50583 1 28 . 1 . 1 11 11 SER CA C 13 56.469 . . . . . . . . 11 S CA . 50583 1 29 . 1 . 1 11 11 SER CB C 13 63.610 . . . . . . . . 11 S CB . 50583 1 30 . 1 . 1 11 11 SER N N 15 118.186 . . . . . . . . 11 S N . 50583 1 31 . 1 . 1 12 12 PRO CA C 13 63.010 . . . . . . . . 12 P CA . 50583 1 32 . 1 . 1 12 12 PRO CB C 13 31.983 . . . . . . . . 12 P CB . 50583 1 33 . 1 . 1 13 13 VAL H H 1 8.190 . . . . . . . . 13 V HN . 50583 1 34 . 1 . 1 13 13 VAL CA C 13 62.385 . . . . . . . . 13 V CA . 50583 1 35 . 1 . 1 13 13 VAL CB C 13 32.859 . . . . . . . . 13 V CB . 50583 1 36 . 1 . 1 13 13 VAL N N 15 120.381 . . . . . . . . 13 V N . 50583 1 37 . 1 . 1 14 14 SER H H 1 8.370 . . . . . . . . 14 S HN . 50583 1 38 . 1 . 1 14 14 SER CA C 13 58.256 . . . . . . . . 14 S CA . 50583 1 39 . 1 . 1 14 14 SER CB C 13 63.886 . . . . . . . . 14 S CB . 50583 1 40 . 1 . 1 14 14 SER N N 15 119.858 . . . . . . . . 14 S N . 50583 1 41 . 1 . 1 15 15 ARG H H 1 8.415 . . . . . . . . 15 R HN . 50583 1 42 . 1 . 1 15 15 ARG CA C 13 56.126 . . . . . . . . 15 R CA . 50583 1 43 . 1 . 1 15 15 ARG CB C 13 30.862 . . . . . . . . 15 R CB . 50583 1 44 . 1 . 1 15 15 ARG N N 15 123.833 . . . . . . . . 15 R N . 50583 1 45 . 1 . 1 16 16 LYS H H 1 8.347 . . . . . . . . 16 K HN . 50583 1 46 . 1 . 1 16 16 LYS CA C 13 56.258 . . . . . . . . 16 K CA . 50583 1 47 . 1 . 1 16 16 LYS CB C 13 33.477 . . . . . . . . 16 K CB . 50583 1 48 . 1 . 1 16 16 LYS N N 15 122.857 . . . . . . . . 16 K N . 50583 1 49 . 1 . 1 17 17 SER H H 1 8.403 . . . . . . . . 17 S HN . 50583 1 50 . 1 . 1 17 17 SER CA C 13 656.505 . . . . . . . . 17 S CA . 50583 1 51 . 1 . 1 17 17 SER CB C 13 63.636 . . . . . . . . 17 S CB . 50583 1 52 . 1 . 1 17 17 SER N N 15 118.946 . . . . . . . . 17 S N . 50583 1 53 . 1 . 1 18 18 PRO CA C 13 63.113 . . . . . . . . 18 P CA . 50583 1 54 . 1 . 1 18 18 PRO CB C 13 32.106 . . . . . . . . 18 P CB . 50583 1 55 . 1 . 1 19 19 LYS H H 1 8.342 . . . . . . . . 19 K HN . 50583 1 56 . 1 . 1 19 19 LYS CA C 13 56.680 . . . . . . . . 19 K CA . 50583 1 57 . 1 . 1 19 19 LYS CB C 13 33.055 . . . . . . . . 19 K CB . 50583 1 58 . 1 . 1 19 19 LYS N N 15 121.424 . . . . . . . . 19 K N . 50583 1 59 . 1 . 1 20 20 GLN H H 1 8.338 . . . . . . . . 20 Q HN . 50583 1 60 . 1 . 1 20 20 GLN CA C 13 55.941 . . . . . . . . 20 Q CA . 50583 1 61 . 1 . 1 20 20 GLN CB C 13 29.996 . . . . . . . . 20 Q CB . 50583 1 62 . 1 . 1 20 20 GLN N N 15 121.871 . . . . . . . . 20 Q N . 50583 1 63 . 1 . 1 21 21 LYS H H 1 8.430 . . . . . . . . 21 K HN . 50583 1 64 . 1 . 1 21 21 LYS CA C 13 56.258 . . . . . . . . 21 K CA . 50583 1 65 . 1 . 1 21 21 LYS CB C 13 33.371 . . . . . . . . 21 K CB . 50583 1 66 . 1 . 1 21 21 LYS N N 15 123.843 . . . . . . . . 21 K N . 50583 1 67 . 1 . 1 22 22 LYS H H 1 8.359 . . . . . . . . 22 K HN . 50583 1 68 . 1 . 1 22 22 LYS CA C 13 56.469 . . . . . . . . 22 K CA . 50583 1 69 . 1 . 1 22 22 LYS CB C 13 33.371 . . . . . . . . 22 K CB . 50583 1 70 . 1 . 1 22 22 LYS N N 15 123.479 . . . . . . . . 22 K N . 50583 1 71 . 1 . 1 23 23 LYS H H 1 8.483 . . . . . . . . 23 K HN . 50583 1 72 . 1 . 1 23 23 LYS HA H 1 33.308 . . . . . . . . 23 K HA . 50583 1 73 . 1 . 1 23 23 LYS CA C 13 56.498 . . . . . . . . 23 K CA . 50583 1 74 . 1 . 1 23 23 LYS N N 15 123.948 . . . . . . . . 23 K N . 50583 1 75 . 1 . 1 24 24 THR H H 1 8.307 . . . . . . . . 24 T HN . 50583 1 76 . 1 . 1 24 24 THR CA C 13 61.971 . . . . . . . . 24 T CA . 50583 1 77 . 1 . 1 24 24 THR CB C 13 69.930 . . . . . . . . 24 T CB . 50583 1 78 . 1 . 1 24 24 THR N N 15 116.496 . . . . . . . . 24 T N . 50583 1 79 . 1 . 1 25 25 THR H H 1 8.257 . . . . . . . . 25 T HN . 50583 1 80 . 1 . 1 25 25 THR CA C 13 61.737 . . . . . . . . 25 T CA . 50583 1 81 . 1 . 1 25 25 THR CB C 13 70.048 . . . . . . . . 25 T CB . 50583 1 82 . 1 . 1 25 25 THR N N 15 116.450 . . . . . . . . 25 T N . 50583 1 83 . 1 . 1 26 26 SER H H 1 8.433 . . . . . . . . 26 S HN . 50583 1 84 . 1 . 1 26 26 SER CA C 13 58.342 . . . . . . . . 26 S CA . 50583 1 85 . 1 . 1 26 26 SER CB C 13 64.078 . . . . . . . . 26 S CB . 50583 1 86 . 1 . 1 26 26 SER N N 15 118.351 . . . . . . . . 26 S N . 50583 1 87 . 1 . 1 27 27 THR H H 1 8.246 . . . . . . . . 27 T HN . 50583 1 88 . 1 . 1 27 27 THR CA C 13 62.088 . . . . . . . . 27 T CA . 50583 1 89 . 1 . 1 27 27 THR CB C 13 69.813 . . . . . . . . 27 T CB . 50583 1 90 . 1 . 1 27 27 THR N N 15 115.614 . . . . . . . . 27 T N . 50583 1 91 . 1 . 1 28 28 ASN H H 1 8.426 . . . . . . . . 28 N HN . 50583 1 92 . 1 . 1 28 28 ASN CA C 13 53.305 . . . . . . . . 28 N CA . 50583 1 93 . 1 . 1 28 28 ASN CB C 13 39.172 . . . . . . . . 28 N CB . 50583 1 94 . 1 . 1 28 28 ASN N N 15 121.135 . . . . . . . . 28 N N . 50583 1 95 . 1 . 1 29 29 LYS H H 1 8.226 . . . . . . . . 29 K HN . 50583 1 96 . 1 . 1 29 29 LYS CA C 13 54.464 . . . . . . . . 29 K CA . 50583 1 97 . 1 . 1 29 29 LYS CB C 13 32.633 . . . . . . . . 29 K CB . 50583 1 98 . 1 . 1 29 29 LYS N N 15 122.887 . . . . . . . . 29 K N . 50583 1 99 . 1 . 1 30 30 PRO CA C 13 62.902 . . . . . . . . 30 P CA . 50583 1 100 . 1 . 1 30 30 PRO CB C 13 32.000 . . . . . . . . 30 P CB . 50583 1 101 . 1 . 1 31 31 ILE H H 1 8.250 . . . . . . . . 31 I HN . 50583 1 102 . 1 . 1 31 31 ILE CA C 13 61.109 . . . . . . . . 31 I CA . 50583 1 103 . 1 . 1 31 31 ILE CB C 13 39.067 . . . . . . . . 31 I CB . 50583 1 104 . 1 . 1 31 31 ILE N N 15 121.566 . . . . . . . . 31 I N . 50583 1 105 . 1 . 1 32 32 LYS H H 1 8.357 . . . . . . . . 32 K HN . 50583 1 106 . 1 . 1 32 32 LYS CA C 13 56.179 . . . . . . . . 32 K CA . 50583 1 107 . 1 . 1 32 32 LYS CB C 13 33.308 . . . . . . . . 32 K CB . 50583 1 108 . 1 . 1 32 32 LYS N N 15 125.839 . . . . . . . . 32 K N . 50583 1 109 . 1 . 1 33 33 VAL H H 1 8.141 . . . . . . . . 33 V HN . 50583 1 110 . 1 . 1 33 33 VAL CA C 13 62.164 . . . . . . . . 33 V CA . 50583 1 111 . 1 . 1 33 33 VAL CB C 13 33.266 . . . . . . . . 33 V CB . 50583 1 112 . 1 . 1 33 33 VAL N N 15 122.414 . . . . . . . . 33 V N . 50583 1 113 . 1 . 1 34 34 ARG H H 1 8.346 . . . . . . . . 34 R HN . 50583 1 114 . 1 . 1 34 34 ARG CA C 13 55.626 . . . . . . . . 34 R CA . 50583 1 115 . 1 . 1 34 34 ARG CB C 13 31.684 . . . . . . . . 34 R CB . 50583 1 116 . 1 . 1 34 34 ARG N N 15 125.048 . . . . . . . . 34 R N . 50583 1 117 . 1 . 1 61 61 ALA H H 1 7.917 . . . . . . . . 61 A HN . 50583 1 118 . 1 . 1 61 61 ALA CA C 13 52.988 . . . . . . . . 61 A CA . 50583 1 119 . 1 . 1 61 61 ALA CB C 13 19.691 . . . . . . . . 61 A CB . 50583 1 120 . 1 . 1 61 61 ALA N N 15 124.154 . . . . . . . . 61 A N . 50583 1 121 . 1 . 1 62 62 VAL H H 1 8.135 . . . . . . . . 62 V HN . 50583 1 122 . 1 . 1 62 62 VAL CA C 13 62.135 . . . . . . . . 62 V CA . 50583 1 123 . 1 . 1 62 62 VAL CB C 13 33.096 . . . . . . . . 62 V CB . 50583 1 124 . 1 . 1 62 62 VAL N N 15 119.213 . . . . . . . . 62 V N . 50583 1 125 . 1 . 1 63 63 ASP H H 1 8.347 . . . . . . . . 63 D HN . 50583 1 126 . 1 . 1 63 63 ASP CA C 13 54.610 . . . . . . . . 63 D CA . 50583 1 127 . 1 . 1 63 63 ASP N N 15 123.473 . . . . . . . . 63 D N . 50583 1 128 . 1 . 1 65 65 GLN H H 1 8.409 . . . . . . . . 65 Q HN . 50583 1 129 . 1 . 1 65 65 GLN CA C 13 53.410 . . . . . . . . 65 Q CA . 50583 1 130 . 1 . 1 65 65 GLN CB C 13 29.680 . . . . . . . . 65 Q CB . 50583 1 131 . 1 . 1 65 65 GLN N N 15 122.138 . . . . . . . . 65 Q N . 50583 1 132 . 1 . 1 67 67 GLU H H 1 8.400 . . . . . . . . 67 E HN . 50583 1 133 . 1 . 1 67 67 GLU CA C 13 54.465 . . . . . . . . 67 E CA . 50583 1 134 . 1 . 1 67 67 GLU CB C 13 29.891 . . . . . . . . 67 E CB . 50583 1 135 . 1 . 1 67 67 GLU N N 15 122.366 . . . . . . . . 67 E N . 50583 1 136 . 1 . 1 68 68 PRO CA C 13 62.760 . . . . . . . . 68 P CA . 50583 1 137 . 1 . 1 68 68 PRO CB C 13 31.983 . . . . . . . . 68 P CB . 50583 1 138 . 1 . 1 69 69 ILE H H 1 8.079 . . . . . . . . 69 I HN . 50583 1 139 . 1 . 1 69 69 ILE CA C 13 60.758 . . . . . . . . 69 I CA . 50583 1 140 . 1 . 1 69 69 ILE CB C 13 39.240 . . . . . . . . 69 I CB . 50583 1 141 . 1 . 1 69 69 ILE N N 15 120.424 . . . . . . . . 69 I N . 50583 1 142 . 1 . 1 70 70 TYR H H 1 8.312 . . . . . . . . 70 Y HN . 50583 1 143 . 1 . 1 70 70 TYR CA C 13 57.840 . . . . . . . . 70 Y CA . 50583 1 144 . 1 . 1 70 70 TYR CB C 13 39.172 . . . . . . . . 70 Y CB . 50583 1 145 . 1 . 1 70 70 TYR N N 15 125.020 . . . . . . . . 70 Y N . 50583 1 146 . 1 . 1 71 71 SER H H 1 8.193 . . . . . . . . 71 S HN . 50583 1 147 . 1 . 1 71 71 SER CA C 13 55.379 . . . . . . . . 71 S CA . 50583 1 148 . 1 . 1 71 71 SER CB C 13 63.886 . . . . . . . . 71 S CB . 50583 1 149 . 1 . 1 71 71 SER N N 15 120.030 . . . . . . . . 71 S N . 50583 1 150 . 1 . 1 72 72 PRO CA C 13 63.141 . . . . . . . . 72 P CA . 50583 1 151 . 1 . 1 72 72 PRO CB C 13 32.132 . . . . . . . . 72 P CB . 50583 1 152 . 1 . 1 73 73 SER H H 1 8.364 . . . . . . . . 73 S HN . 50583 1 153 . 1 . 1 73 73 SER CA C 13 58.576 . . . . . . . . 73 S CA . 50583 1 154 . 1 . 1 73 73 SER CB C 13 64.195 . . . . . . . . 73 S CB . 50583 1 155 . 1 . 1 73 73 SER N N 15 115.703 . . . . . . . . 73 S N . 50583 1 156 . 1 . 1 74 74 SER H H 1 8.329 . . . . . . . . 74 S HN . 50583 1 157 . 1 . 1 74 74 SER CA C 13 58.576 . . . . . . . . 74 S CA . 50583 1 158 . 1 . 1 74 74 SER CB C 13 63.961 . . . . . . . . 74 S CB . 50583 1 159 . 1 . 1 74 74 SER N N 15 117.710 . . . . . . . . 74 S N . 50583 1 160 . 1 . 1 75 75 ASP H H 1 8.283 . . . . . . . . 75 D HN . 50583 1 161 . 1 . 1 75 75 ASP CA C 13 54.570 . . . . . . . . 75 D CA . 50583 1 162 . 1 . 1 75 75 ASP CB C 13 41.387 . . . . . . . . 75 D CB . 50583 1 163 . 1 . 1 75 75 ASP N N 15 122.024 . . . . . . . . 75 D N . 50583 1 164 . 1 . 1 76 76 ASP H H 1 8.143 . . . . . . . . 76 D HN . 50583 1 165 . 1 . 1 76 76 ASP CA C 13 54.378 . . . . . . . . 76 D CA . 50583 1 166 . 1 . 1 76 76 ASP CB C 13 41.241 . . . . . . . . 76 D CB . 50583 1 167 . 1 . 1 76 76 ASP N N 15 120.459 . . . . . . . . 76 D N . 50583 1 168 . 1 . 1 77 77 HIS CA C 13 54.662 . . . . . . . . 77 H CA . 50583 1 169 . 1 . 1 77 77 HIS CB C 13 41.276 . . . . . . . . 77 H CB . 50583 1 170 . 1 . 1 78 78 ASN H H 1 8.424 . . . . . . . . 78 N HN . 50583 1 171 . 1 . 1 78 78 ASN CA C 13 53.512 . . . . . . . . 78 N CA . 50583 1 172 . 1 . 1 78 78 ASN CB C 13 38.767 . . . . . . . . 78 N CB . 50583 1 173 . 1 . 1 78 78 ASN N N 15 118.936 . . . . . . . . 78 N N . 50583 1 174 . 1 . 1 79 79 LEU H H 1 8.168 . . . . . . . . 79 L HN . 50583 1 175 . 1 . 1 79 79 LEU CA C 13 54.992 . . . . . . . . 79 L CA . 50583 1 176 . 1 . 1 79 79 LEU CB C 13 42.547 . . . . . . . . 79 L CB . 50583 1 177 . 1 . 1 79 79 LEU N N 15 122.156 . . . . . . . . 79 L N . 50583 1 178 . 1 . 1 80 80 SER H H 1 8.249 . . . . . . . . 80 S HN . 50583 1 179 . 1 . 1 80 80 SER CA C 13 56.821 . . . . . . . . 80 S CA . 50583 1 180 . 1 . 1 80 80 SER CB C 13 63.493 . . . . . . . . 80 S CB . 50583 1 181 . 1 . 1 80 80 SER N N 15 117.962 . . . . . . . . 80 S N . 50583 1 182 . 1 . 1 82 82 PRO CA C 13 62.902 . . . . . . . . 82 P CA . 50583 1 183 . 1 . 1 82 82 PRO CB C 13 32.000 . . . . . . . . 82 P CB . 50583 1 184 . 1 . 1 83 83 ALA H H 1 8.373 . . . . . . . . 83 A HN . 50583 1 185 . 1 . 1 83 83 ALA CA C 13 52.677 . . . . . . . . 83 A CA . 50583 1 186 . 1 . 1 83 83 ALA CB C 13 19.555 . . . . . . . . 83 A CB . 50583 1 187 . 1 . 1 83 83 ALA N N 15 124.179 . . . . . . . . 83 A N . 50583 1 188 . 1 . 1 84 84 GLU H H 1 8.413 . . . . . . . . 84 E HN . 50583 1 189 . 1 . 1 84 84 GLU CA C 13 56.755 . . . . . . . . 84 E CA . 50583 1 190 . 1 . 1 84 84 GLU CB C 13 30.607 . . . . . . . . 84 E CB . 50583 1 191 . 1 . 1 84 84 GLU N N 15 119.727 . . . . . . . . 84 E N . 50583 1 192 . 1 . 1 85 85 ASN H H 1 8.417 . . . . . . . . 85 N HN . 50583 1 193 . 1 . 1 85 85 ASN CA C 13 53.377 . . . . . . . . 85 N CA . 50583 1 194 . 1 . 1 85 85 ASN CB C 13 38.989 . . . . . . . . 85 N CB . 50583 1 195 . 1 . 1 85 85 ASN N N 15 119.282 . . . . . . . . 85 N N . 50583 1 196 . 1 . 1 86 86 LEU H H 1 8.130 . . . . . . . . 86 L HN . 50583 1 197 . 1 . 1 86 86 LEU CA C 13 54.992 . . . . . . . . 86 L CA . 50583 1 198 . 1 . 1 86 86 LEU CB C 13 42.547 . . . . . . . . 86 L CB . 50583 1 199 . 1 . 1 86 86 LEU N N 15 122.408 . . . . . . . . 86 L N . 50583 1 200 . 1 . 1 87 87 ALA H H 1 8.135 . . . . . . . . 87 A HN . 50583 1 201 . 1 . 1 87 87 ALA CA C 13 50.879 . . . . . . . . 87 A CA . 50583 1 202 . 1 . 1 87 87 ALA CB C 13 18.079 . . . . . . . . 87 A CB . 50583 1 203 . 1 . 1 87 87 ALA N N 15 125.695 . . . . . . . . 87 A N . 50583 1 204 . 1 . 1 88 88 PRO CA C 13 63.219 . . . . . . . . 88 P CA . 50583 1 205 . 1 . 1 88 88 PRO CB C 13 32.000 . . . . . . . . 88 P CB . 50583 1 206 . 1 . 1 89 89 ARG H H 1 8.400 . . . . . . . . 89 R HN . 50583 1 207 . 1 . 1 89 89 ARG CA C 13 56.574 . . . . . . . . 89 R CA . 50583 1 208 . 1 . 1 89 89 ARG CB C 13 30.524 . . . . . . . . 89 R CB . 50583 1 209 . 1 . 1 89 89 ARG N N 15 121.132 . . . . . . . . 89 R N . 50583 1 210 . 1 . 1 90 90 VAL H H 1 8.103 . . . . . . . . 90 V HN . 50583 1 211 . 1 . 1 90 90 VAL CA C 13 62.260 . . . . . . . . 90 V CA . 50583 1 212 . 1 . 1 90 90 VAL CB C 13 32.850 . . . . . . . . 90 V CB . 50583 1 213 . 1 . 1 90 90 VAL N N 15 121.456 . . . . . . . . 90 V N . 50583 1 214 . 1 . 1 91 91 LEU H H 1 8.275 . . . . . . . . 91 L HN . 50583 1 215 . 1 . 1 91 91 LEU CA C 13 55.009 . . . . . . . . 91 L CA . 50583 1 216 . 1 . 1 91 91 LEU CB C 13 42.350 . . . . . . . . 91 L CB . 50583 1 217 . 1 . 1 91 91 LEU N N 15 125.977 . . . . . . . . 91 L N . 50583 1 stop_ save_