data_50588 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50588 _Entry.Title ; 1H, 13C, and 15N resonance assignments of Arabidopsis WRKY1-N domain complexed with DNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-11-21 _Entry.Accession_date 2020-11-21 _Entry.Last_release_date 2020-11-21 _Entry.Original_release_date 2020-11-21 _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 . . . . 50588 2 Qianwen Li . . . . 50588 3 Yunfei Hu . . . . 50588 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50588 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 50588 '15N chemical shifts' 66 50588 '1H chemical shifts' 398 50588 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 . . 2024-10-23 . original BMRB . 50588 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50586 'WRKY1-C (265-343)' 50588 BMRB 50587 'WRKY1-C (273-343) complexed with DNA' 50588 BMRB 50589 'WRKY1-N domain' 50588 BMRB 50590 'WRKY1-C (V273-P343)' 50588 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50588 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for the regulation of WRKY transcription factors by the intrinsically disordered VQ proteins ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Nucleic Acids Res. Suppl.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Lulu Yu . . . . 50588 1 2 Qianwen Li . . . . 50588 1 3 Yunfei Hu . . . . 50588 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50588 _Assembly.ID 1 _Assembly.Name 'complexed WRKY1-N' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _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 WRKY1-N 1 $entity_1 . . yes native no no . . . 50588 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50588 _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 ; MSLQSGSEGNSPFIREKVME DGYNWRKYGQKLVKGNEFVR SYYRCTHPNCKAKKQLERSA GGQVVDTVYFGEHDHPKPL ; _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 79 _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 . 50588 1 2 . SER . 50588 1 3 . LEU . 50588 1 4 . GLN . 50588 1 5 . SER . 50588 1 6 . GLY . 50588 1 7 . SER . 50588 1 8 . GLU . 50588 1 9 . GLY . 50588 1 10 . ASN . 50588 1 11 . SER . 50588 1 12 . PRO . 50588 1 13 . PHE . 50588 1 14 . ILE . 50588 1 15 . ARG . 50588 1 16 . GLU . 50588 1 17 . LYS . 50588 1 18 . VAL . 50588 1 19 . MET . 50588 1 20 . GLU . 50588 1 21 . ASP . 50588 1 22 . GLY . 50588 1 23 . TYR . 50588 1 24 . ASN . 50588 1 25 . TRP . 50588 1 26 . ARG . 50588 1 27 . LYS . 50588 1 28 . TYR . 50588 1 29 . GLY . 50588 1 30 . GLN . 50588 1 31 . LYS . 50588 1 32 . LEU . 50588 1 33 . VAL . 50588 1 34 . LYS . 50588 1 35 . GLY . 50588 1 36 . ASN . 50588 1 37 . GLU . 50588 1 38 . PHE . 50588 1 39 . VAL . 50588 1 40 . ARG . 50588 1 41 . SER . 50588 1 42 . TYR . 50588 1 43 . TYR . 50588 1 44 . ARG . 50588 1 45 . CYS . 50588 1 46 . THR . 50588 1 47 . HIS . 50588 1 48 . PRO . 50588 1 49 . ASN . 50588 1 50 . CYS . 50588 1 51 . LYS . 50588 1 52 . ALA . 50588 1 53 . LYS . 50588 1 54 . LYS . 50588 1 55 . GLN . 50588 1 56 . LEU . 50588 1 57 . GLU . 50588 1 58 . ARG . 50588 1 59 . SER . 50588 1 60 . ALA . 50588 1 61 . GLY . 50588 1 62 . GLY . 50588 1 63 . GLN . 50588 1 64 . VAL . 50588 1 65 . VAL . 50588 1 66 . ASP . 50588 1 67 . THR . 50588 1 68 . VAL . 50588 1 69 . TYR . 50588 1 70 . PHE . 50588 1 71 . GLY . 50588 1 72 . GLU . 50588 1 73 . HIS . 50588 1 74 . ASP . 50588 1 75 . HIS . 50588 1 76 . PRO . 50588 1 77 . LYS . 50588 1 78 . PRO . 50588 1 79 . LEU . 50588 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 50588 1 . SER 2 2 50588 1 . LEU 3 3 50588 1 . GLN 4 4 50588 1 . SER 5 5 50588 1 . GLY 6 6 50588 1 . SER 7 7 50588 1 . GLU 8 8 50588 1 . GLY 9 9 50588 1 . ASN 10 10 50588 1 . SER 11 11 50588 1 . PRO 12 12 50588 1 . PHE 13 13 50588 1 . ILE 14 14 50588 1 . ARG 15 15 50588 1 . GLU 16 16 50588 1 . LYS 17 17 50588 1 . VAL 18 18 50588 1 . MET 19 19 50588 1 . GLU 20 20 50588 1 . ASP 21 21 50588 1 . GLY 22 22 50588 1 . TYR 23 23 50588 1 . ASN 24 24 50588 1 . TRP 25 25 50588 1 . ARG 26 26 50588 1 . LYS 27 27 50588 1 . TYR 28 28 50588 1 . GLY 29 29 50588 1 . GLN 30 30 50588 1 . LYS 31 31 50588 1 . LEU 32 32 50588 1 . VAL 33 33 50588 1 . LYS 34 34 50588 1 . GLY 35 35 50588 1 . ASN 36 36 50588 1 . GLU 37 37 50588 1 . PHE 38 38 50588 1 . VAL 39 39 50588 1 . ARG 40 40 50588 1 . SER 41 41 50588 1 . TYR 42 42 50588 1 . TYR 43 43 50588 1 . ARG 44 44 50588 1 . CYS 45 45 50588 1 . THR 46 46 50588 1 . HIS 47 47 50588 1 . PRO 48 48 50588 1 . ASN 49 49 50588 1 . CYS 50 50 50588 1 . LYS 51 51 50588 1 . ALA 52 52 50588 1 . LYS 53 53 50588 1 . LYS 54 54 50588 1 . GLN 55 55 50588 1 . LEU 56 56 50588 1 . GLU 57 57 50588 1 . ARG 58 58 50588 1 . SER 59 59 50588 1 . ALA 60 60 50588 1 . GLY 61 61 50588 1 . GLY 62 62 50588 1 . GLN 63 63 50588 1 . VAL 64 64 50588 1 . VAL 65 65 50588 1 . ASP 66 66 50588 1 . THR 67 67 50588 1 . VAL 68 68 50588 1 . TYR 69 69 50588 1 . PHE 70 70 50588 1 . GLY 71 71 50588 1 . GLU 72 72 50588 1 . HIS 73 73 50588 1 . ASP 74 74 50588 1 . HIS 75 75 50588 1 . PRO 76 76 50588 1 . LYS 77 77 50588 1 . PRO 78 78 50588 1 . LEU 79 79 50588 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 50588 _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 . . . . . . . . . . . . . 50588 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 50588 _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 . . . 50588 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50588 _Sample.ID 1 _Sample.Name sample_1 _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 WRKY1-N '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50588 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . '% v/v' . . . . 50588 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 50588 1 4 HEPES 'natural abundance' . . . . . . 25 . . mM . . . . 50588 1 5 DNA 'natural abundance' . . . . . . 0.5 . . mM . . . . 50588 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 50588 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 50588 1 pH 7 . pH 50588 1 pressure 1 . atm 50588 1 temperature 298 . K 50588 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50588 _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 . 50588 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50588 _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' . 50588 2 'data analysis' . 50588 2 processing . 50588 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 50588 _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 500 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 50588 _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 . . . . . . . . . . . . . . . . . 50588 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50588 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50588 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50588 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50588 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' WRKY1_N_DNA.nv . 'NMR experiment directory' . . 50588 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 50588 _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 . . . . . 50588 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50588 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50588 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 50588 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'WRKY1-N domain Complexed with DNA' _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' . . . 50588 1 2 '3D HNCACB' . . . 50588 1 3 '3D CBCA(CO)NH' . . . 50588 1 4 '3D HNCO' . . . 50588 1 5 '3D HNCA' . . . 50588 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 . . 50588 1 2 $software_2 . . 50588 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 SER HA H 1 4.182 . . . . . . . . 2 S HA . 50588 1 2 . 1 . 1 2 2 SER HB2 H 1 4.029 . . . . . . . . 2 S HB1 . 50588 1 3 . 1 . 1 2 2 SER HB3 H 1 4.029 . . . . . . . . 2 S HB2 . 50588 1 4 . 1 . 1 2 2 SER C C 13 171.153 . . . . . . . . 2 S C . 50588 1 5 . 1 . 1 2 2 SER CA C 13 57.271 . . . . . . . . 2 S CA . 50588 1 6 . 1 . 1 2 2 SER CB C 13 63.324 . . . . . . . . 2 S CB . 50588 1 7 . 1 . 1 3 3 LEU H H 1 8.741 . . . . . . . . 3 L HN . 50588 1 8 . 1 . 1 3 3 LEU HA H 1 4.375 . . . . . . . . 3 L HA . 50588 1 9 . 1 . 1 3 3 LEU HB2 H 1 1.627 . . . . . . . . 3 L HB1 . 50588 1 10 . 1 . 1 3 3 LEU HB3 H 1 1.627 . . . . . . . . 3 L HB2 . 50588 1 11 . 1 . 1 3 3 LEU HG H 1 1.463 . . . . . . . . 3 L HG . 50588 1 12 . 1 . 1 3 3 LEU HD11 H 1 0.927 . . . . . . . . 3 L HD11 . 50588 1 13 . 1 . 1 3 3 LEU HD12 H 1 0.927 . . . . . . . . 3 L HD11 . 50588 1 14 . 1 . 1 3 3 LEU HD13 H 1 0.927 . . . . . . . . 3 L HD11 . 50588 1 15 . 1 . 1 3 3 LEU HD21 H 1 0.888 . . . . . . . . 3 L HD21 . 50588 1 16 . 1 . 1 3 3 LEU HD22 H 1 0.888 . . . . . . . . 3 L HD21 . 50588 1 17 . 1 . 1 3 3 LEU HD23 H 1 0.888 . . . . . . . . 3 L HD21 . 50588 1 18 . 1 . 1 3 3 LEU C C 13 177.403 . . . . . . . . 3 L C . 50588 1 19 . 1 . 1 3 3 LEU CA C 13 55.879 . . . . . . . . 3 L CA . 50588 1 20 . 1 . 1 3 3 LEU CB C 13 42.382 . . . . . . . . 3 L CB . 50588 1 21 . 1 . 1 3 3 LEU CG C 13 27.219 . . . . . . . . 3 L CG . 50588 1 22 . 1 . 1 3 3 LEU CD1 C 13 24.924 . . . . . . . . 3 L CD1 . 50588 1 23 . 1 . 1 3 3 LEU CD2 C 13 23.824 . . . . . . . . 3 L CD2 . 50588 1 24 . 1 . 1 3 3 LEU N N 15 123.485 . . . . . . . . 3 L N . 50588 1 25 . 1 . 1 4 4 GLN H H 1 8.502 . . . . . . . . 4 Q HN . 50588 1 26 . 1 . 1 4 4 GLN HA H 1 4.359 . . . . . . . . 4 Q HA . 50588 1 27 . 1 . 1 4 4 GLN HB2 H 1 1.989 . . . . . . . . 4 Q HB1 . 50588 1 28 . 1 . 1 4 4 GLN HB3 H 1 2.117 . . . . . . . . 4 Q HB2 . 50588 1 29 . 1 . 1 4 4 GLN HG2 H 1 2.378 . . . . . . . . 4 Q HG1 . 50588 1 30 . 1 . 1 4 4 GLN HG3 H 1 2.378 . . . . . . . . 4 Q HG2 . 50588 1 31 . 1 . 1 4 4 GLN C C 13 176.156 . . . . . . . . 4 Q C . 50588 1 32 . 1 . 1 4 4 GLN CA C 13 56.043 . . . . . . . . 4 Q CA . 50588 1 33 . 1 . 1 4 4 GLN CB C 13 29.357 . . . . . . . . 4 Q CB . 50588 1 34 . 1 . 1 4 4 GLN CG C 13 33.958 . . . . . . . . 4 Q CG . 50588 1 35 . 1 . 1 4 4 GLN N N 15 121.990 . . . . . . . . 4 Q N . 50588 1 36 . 1 . 1 5 5 SER H H 1 8.355 . . . . . . . . 5 S HN . 50588 1 37 . 1 . 1 5 5 SER HA H 1 4.437 . . . . . . . . 5 S HA . 50588 1 38 . 1 . 1 5 5 SER HB2 H 1 3.883 . . . . . . . . 5 S HB1 . 50588 1 39 . 1 . 1 5 5 SER HB3 H 1 3.883 . . . . . . . . 5 S HB2 . 50588 1 40 . 1 . 1 5 5 SER C C 13 175.202 . . . . . . . . 5 S C . 50588 1 41 . 1 . 1 5 5 SER CA C 13 58.726 . . . . . . . . 5 S CA . 50588 1 42 . 1 . 1 5 5 SER CB C 13 63.975 . . . . . . . . 5 S CB . 50588 1 43 . 1 . 1 5 5 SER N N 15 117.791 . . . . . . . . 5 S N . 50588 1 44 . 1 . 1 6 6 GLY H H 1 8.505 . . . . . . . . 6 G HN . 50588 1 45 . 1 . 1 6 6 GLY HA2 H 1 4.049 . . . . . . . . 6 G HA1 . 50588 1 46 . 1 . 1 6 6 GLY HA3 H 1 4.049 . . . . . . . . 6 G HA2 . 50588 1 47 . 1 . 1 6 6 GLY C C 13 174.456 . . . . . . . . 6 G C . 50588 1 48 . 1 . 1 6 6 GLY CA C 13 45.472 . . . . . . . . 6 G CA . 50588 1 49 . 1 . 1 6 6 GLY N N 15 111.982 . . . . . . . . 6 G N . 50588 1 50 . 1 . 1 7 7 SER H H 1 8.248 . . . . . . . . 7 S HN . 50588 1 51 . 1 . 1 7 7 SER HA H 1 4.507 . . . . . . . . 7 S HA . 50588 1 52 . 1 . 1 7 7 SER HB2 H 1 3.899 . . . . . . . . 7 S HB1 . 50588 1 53 . 1 . 1 7 7 SER HB3 H 1 3.899 . . . . . . . . 7 S HB2 . 50588 1 54 . 1 . 1 7 7 SER C C 13 175.119 . . . . . . . . 7 S C . 50588 1 55 . 1 . 1 7 7 SER CA C 13 58.549 . . . . . . . . 7 S CA . 50588 1 56 . 1 . 1 7 7 SER CB C 13 64.153 . . . . . . . . 7 S CB . 50588 1 57 . 1 . 1 7 7 SER N N 15 116.395 . . . . . . . . 7 S N . 50588 1 58 . 1 . 1 8 8 GLU H H 1 8.659 . . . . . . . . 8 E HN . 50588 1 59 . 1 . 1 8 8 GLU HA H 1 4.286 . . . . . . . . 8 E HA . 50588 1 60 . 1 . 1 8 8 GLU HB2 H 1 2.060 . . . . . . . . 8 E HB1 . 50588 1 61 . 1 . 1 8 8 GLU HB3 H 1 2.060 . . . . . . . . 8 E HB2 . 50588 1 62 . 1 . 1 8 8 GLU HG2 H 1 2.289 . . . . . . . . 8 E HG1 . 50588 1 63 . 1 . 1 8 8 GLU HG3 H 1 2.289 . . . . . . . . 8 E HG2 . 50588 1 64 . 1 . 1 8 8 GLU C C 13 177.524 . . . . . . . . 8 E C . 50588 1 65 . 1 . 1 8 8 GLU CA C 13 57.526 . . . . . . . . 8 E CA . 50588 1 66 . 1 . 1 8 8 GLU CB C 13 29.856 . . . . . . . . 8 E CB . 50588 1 67 . 1 . 1 8 8 GLU CG C 13 35.846 . . . . . . . . 8 E CG . 50588 1 68 . 1 . 1 8 8 GLU N N 15 123.448 . . . . . . . . 8 E N . 50588 1 69 . 1 . 1 9 9 GLY H H 1 8.529 . . . . . . . . 9 G HN . 50588 1 70 . 1 . 1 9 9 GLY HA2 H 1 4.008 . . . . . . . . 9 G HA1 . 50588 1 71 . 1 . 1 9 9 GLY HA3 H 1 3.917 . . . . . . . . 9 G HA2 . 50588 1 72 . 1 . 1 9 9 GLY C C 13 173.959 . . . . . . . . 9 G C . 50588 1 73 . 1 . 1 9 9 GLY CA C 13 45.739 . . . . . . . . 9 G CA . 50588 1 74 . 1 . 1 9 9 GLY N N 15 109.384 . . . . . . . . 9 G N . 50588 1 75 . 1 . 1 10 10 ASN H H 1 8.190 . . . . . . . . 10 N HN . 50588 1 76 . 1 . 1 10 10 ASN HA H 1 4.789 . . . . . . . . 10 N HA . 50588 1 77 . 1 . 1 10 10 ASN HB2 H 1 2.706 . . . . . . . . 10 N HB1 . 50588 1 78 . 1 . 1 10 10 ASN HB3 H 1 2.817 . . . . . . . . 10 N HB2 . 50588 1 79 . 1 . 1 10 10 ASN C C 13 174.249 . . . . . . . . 10 N C . 50588 1 80 . 1 . 1 10 10 ASN CA C 13 52.888 . . . . . . . . 10 N CA . 50588 1 81 . 1 . 1 10 10 ASN CB C 13 39.423 . . . . . . . . 10 N CB . 50588 1 82 . 1 . 1 10 10 ASN N N 15 118.687 . . . . . . . . 10 N N . 50588 1 83 . 1 . 1 11 11 SER H H 1 8.037 . . . . . . . . 11 S HN . 50588 1 84 . 1 . 1 11 11 SER HA H 1 4.228 . . . . . . . . 11 S HA . 50588 1 85 . 1 . 1 11 11 SER HB2 H 1 3.698 . . . . . . . . 11 S HB2 . 50588 1 86 . 1 . 1 11 11 SER CA C 13 56.325 . . . . . . . . 11 S CA . 50588 1 87 . 1 . 1 11 11 SER CB C 13 63.797 . . . . . . . . 11 S CB . 50588 1 88 . 1 . 1 11 11 SER N N 15 116.494 . . . . . . . . 11 S N . 50588 1 89 . 1 . 1 12 12 PRO HA H 1 4.359 . . . . . . . . 12 P HA . 50588 1 90 . 1 . 1 12 12 PRO HB2 H 1 1.808 . . . . . . . . 12 P HB1 . 50588 1 91 . 1 . 1 12 12 PRO HB3 H 1 2.253 . . . . . . . . 12 P HB2 . 50588 1 92 . 1 . 1 12 12 PRO HG2 H 1 2.028 . . . . . . . . 12 P HG1 . 50588 1 93 . 1 . 1 12 12 PRO HG3 H 1 1.952 . . . . . . . . 12 P HG2 . 50588 1 94 . 1 . 1 12 12 PRO HD2 H 1 3.686 . . . . . . . . 12 P HD1 . 50588 1 95 . 1 . 1 12 12 PRO HD3 H 1 3.833 . . . . . . . . 12 P HD2 . 50588 1 96 . 1 . 1 12 12 PRO C C 13 177.492 . . . . . . . . 12 P C . 50588 1 97 . 1 . 1 12 12 PRO CA C 13 64.408 . . . . . . . . 12 P CA . 50588 1 98 . 1 . 1 12 12 PRO CB C 13 32.011 . . . . . . . . 12 P CB . 50588 1 99 . 1 . 1 12 12 PRO CG C 13 27.446 . . . . . . . . 12 P CG . 50588 1 100 . 1 . 1 12 12 PRO CD C 13 50.909 . . . . . . . . 12 P CD . 50588 1 101 . 1 . 1 13 13 PHE H H 1 7.918 . . . . . . . . 13 F HN . 50588 1 102 . 1 . 1 13 13 PHE HA H 1 4.523 . . . . . . . . 13 F HA . 50588 1 103 . 1 . 1 13 13 PHE HB2 H 1 3.095 . . . . . . . . 13 F HB1 . 50588 1 104 . 1 . 1 13 13 PHE HB3 H 1 3.095 . . . . . . . . 13 F HB2 . 50588 1 105 . 1 . 1 13 13 PHE C C 13 176.665 . . . . . . . . 13 F C . 50588 1 106 . 1 . 1 13 13 PHE CA C 13 58.904 . . . . . . . . 13 F CA . 50588 1 107 . 1 . 1 13 13 PHE CB C 13 39.157 . . . . . . . . 13 F CB . 50588 1 108 . 1 . 1 13 13 PHE N N 15 118.783 . . . . . . . . 13 F N . 50588 1 109 . 1 . 1 14 14 ILE H H 1 7.721 . . . . . . . . 14 I HN . 50588 1 110 . 1 . 1 14 14 ILE HA H 1 3.902 . . . . . . . . 14 I HA . 50588 1 111 . 1 . 1 14 14 ILE HB H 1 1.942 . . . . . . . . 14 I HB . 50588 1 112 . 1 . 1 14 14 ILE HG12 H 1 1.452 . . . . . . . . 14 I HG11 . 50588 1 113 . 1 . 1 14 14 ILE HG13 H 1 1.267 . . . . . . . . 14 I HG12 . 50588 1 114 . 1 . 1 14 14 ILE HG21 H 1 0.884 . . . . . . . . 14 I HG21 . 50588 1 115 . 1 . 1 14 14 ILE HG22 H 1 0.884 . . . . . . . . 14 I HG21 . 50588 1 116 . 1 . 1 14 14 ILE HG23 H 1 0.884 . . . . . . . . 14 I HG21 . 50588 1 117 . 1 . 1 14 14 ILE HD11 H 1 0.781 . . . . . . . . 14 I HD11 . 50588 1 118 . 1 . 1 14 14 ILE HD12 H 1 0.781 . . . . . . . . 14 I HD11 . 50588 1 119 . 1 . 1 14 14 ILE HD13 H 1 0.781 . . . . . . . . 14 I HD11 . 50588 1 120 . 1 . 1 14 14 ILE C C 13 176.841 . . . . . . . . 14 I C . 50588 1 121 . 1 . 1 14 14 ILE CA C 13 61.353 . . . . . . . . 14 I CA . 50588 1 122 . 1 . 1 14 14 ILE CB C 13 37.523 . . . . . . . . 14 I CB . 50588 1 123 . 1 . 1 14 14 ILE CG1 C 13 27.477 . . . . . . . . 14 I CG1 . 50588 1 124 . 1 . 1 14 14 ILE CG2 C 13 17.611 . . . . . . . . 14 I CG2 . 50588 1 125 . 1 . 1 14 14 ILE CD1 C 13 11.701 . . . . . . . . 14 I CD1 . 50588 1 126 . 1 . 1 14 14 ILE N N 15 122.565 . . . . . . . . 14 I N . 50588 1 127 . 1 . 1 15 15 ARG H H 1 8.276 . . . . . . . . 15 R HN . 50588 1 128 . 1 . 1 15 15 ARG HA H 1 4.074 . . . . . . . . 15 R HA . 50588 1 129 . 1 . 1 15 15 ARG HB2 H 1 1.850 . . . . . . . . 15 R HB1 . 50588 1 130 . 1 . 1 15 15 ARG HB3 H 1 1.850 . . . . . . . . 15 R HB2 . 50588 1 131 . 1 . 1 15 15 ARG HG2 H 1 1.695 . . . . . . . . 15 R HG1 . 50588 1 132 . 1 . 1 15 15 ARG HG3 H 1 1.695 . . . . . . . . 15 R HG2 . 50588 1 133 . 1 . 1 15 15 ARG HD2 H 1 3.277 . . . . . . . . 15 R HD1 . 50588 1 134 . 1 . 1 15 15 ARG HD3 H 1 3.277 . . . . . . . . 15 R HD2 . 50588 1 135 . 1 . 1 15 15 ARG C C 13 177.632 . . . . . . . . 15 R C . 50588 1 136 . 1 . 1 15 15 ARG CA C 13 58.208 . . . . . . . . 15 R CA . 50588 1 137 . 1 . 1 15 15 ARG CB C 13 29.950 . . . . . . . . 15 R CB . 50588 1 138 . 1 . 1 15 15 ARG CG C 13 27.533 . . . . . . . . 15 R CG . 50588 1 139 . 1 . 1 15 15 ARG CD C 13 43.401 . . . . . . . . 15 R CD . 50588 1 140 . 1 . 1 15 15 ARG N N 15 123.238 . . . . . . . . 15 R N . 50588 1 141 . 1 . 1 16 16 GLU H H 1 8.206 . . . . . . . . 16 E HN . 50588 1 142 . 1 . 1 16 16 GLU HA H 1 4.240 . . . . . . . . 16 E HA . 50588 1 143 . 1 . 1 16 16 GLU HB2 H 1 2.171 . . . . . . . . 16 E HB1 . 50588 1 144 . 1 . 1 16 16 GLU HB3 H 1 2.171 . . . . . . . . 16 E HB2 . 50588 1 145 . 1 . 1 16 16 GLU HG2 H 1 2.358 . . . . . . . . 16 E HG1 . 50588 1 146 . 1 . 1 16 16 GLU HG3 H 1 2.358 . . . . . . . . 16 E HG2 . 50588 1 147 . 1 . 1 16 16 GLU CA C 13 58.346 . . . . . . . . 16 E CA . 50588 1 148 . 1 . 1 16 16 GLU CB C 13 29.768 . . . . . . . . 16 E CB . 50588 1 149 . 1 . 1 16 16 GLU CG C 13 35.707 . . . . . . . . 16 E CG . 50588 1 150 . 1 . 1 16 16 GLU N N 15 119.770 . . . . . . . . 16 E N . 50588 1 151 . 1 . 1 17 17 LYS CA C 13 57.019 . . . . . . . . 17 K CA . 50588 1 152 . 1 . 1 17 17 LYS CB C 13 32.213 . . . . . . . . 17 K CB . 50588 1 153 . 1 . 1 18 18 VAL H H 1 8.193 . . . . . . . . 18 V HN . 50588 1 154 . 1 . 1 18 18 VAL CA C 13 63.632 . . . . . . . . 18 V CA . 50588 1 155 . 1 . 1 18 18 VAL CB C 13 32.070 . . . . . . . . 18 V CB . 50588 1 156 . 1 . 1 18 18 VAL N N 15 121.789 . . . . . . . . 18 V N . 50588 1 157 . 1 . 1 19 19 MET H H 1 7.991 . . . . . . . . 19 M HN . 50588 1 158 . 1 . 1 19 19 MET CA C 13 58.274 . . . . . . . . 19 M CA . 50588 1 159 . 1 . 1 19 19 MET CB C 13 39.397 . . . . . . . . 19 M CB . 50588 1 160 . 1 . 1 19 19 MET N N 15 119.865 . . . . . . . . 19 M N . 50588 1 161 . 1 . 1 21 21 ASP HA H 1 4.680 . . . . . . . . 21 D HA . 50588 1 162 . 1 . 1 21 21 ASP HB2 H 1 2.780 . . . . . . . . 21 D HB1 . 50588 1 163 . 1 . 1 21 21 ASP HB3 H 1 3.470 . . . . . . . . 21 D HB2 . 50588 1 164 . 1 . 1 21 21 ASP C C 13 176.885 . . . . . . . . 21 D C . 50588 1 165 . 1 . 1 21 21 ASP CA C 13 53.626 . . . . . . . . 21 D CA . 50588 1 166 . 1 . 1 21 21 ASP CB C 13 41.349 . . . . . . . . 21 D CB . 50588 1 167 . 1 . 1 22 22 GLY H H 1 8.148 . . . . . . . . 22 G HN . 50588 1 168 . 1 . 1 22 22 GLY HA2 H 1 3.958 . . . . . . . . 22 G HA1 . 50588 1 169 . 1 . 1 22 22 GLY HA3 H 1 3.640 . . . . . . . . 22 G HA2 . 50588 1 170 . 1 . 1 22 22 GLY C C 13 173.508 . . . . . . . . 22 G C . 50588 1 171 . 1 . 1 22 22 GLY CA C 13 45.642 . . . . . . . . 22 G CA . 50588 1 172 . 1 . 1 22 22 GLY N N 15 107.242 . . . . . . . . 22 G N . 50588 1 173 . 1 . 1 23 23 TYR H H 1 7.993 . . . . . . . . 23 Y HN . 50588 1 174 . 1 . 1 23 23 TYR HA H 1 4.323 . . . . . . . . 23 Y HA . 50588 1 175 . 1 . 1 23 23 TYR HB2 H 1 2.212 . . . . . . . . 23 Y HB1 . 50588 1 176 . 1 . 1 23 23 TYR HB3 H 1 2.575 . . . . . . . . 23 Y HB2 . 50588 1 177 . 1 . 1 23 23 TYR C C 13 173.253 . . . . . . . . 23 Y C . 50588 1 178 . 1 . 1 23 23 TYR CA C 13 57.760 . . . . . . . . 23 Y CA . 50588 1 179 . 1 . 1 23 23 TYR CB C 13 39.654 . . . . . . . . 23 Y CB . 50588 1 180 . 1 . 1 23 23 TYR N N 15 118.018 . . . . . . . . 23 Y N . 50588 1 181 . 1 . 1 24 24 ASN H H 1 8.959 . . . . . . . . 24 N HN . 50588 1 182 . 1 . 1 24 24 ASN HA H 1 5.087 . . . . . . . . 24 N HA . 50588 1 183 . 1 . 1 24 24 ASN HB2 H 1 2.687 . . . . . . . . 24 N HB1 . 50588 1 184 . 1 . 1 24 24 ASN HB3 H 1 2.798 . . . . . . . . 24 N HB2 . 50588 1 185 . 1 . 1 24 24 ASN C C 13 173.476 . . . . . . . . 24 N C . 50588 1 186 . 1 . 1 24 24 ASN CA C 13 52.766 . . . . . . . . 24 N CA . 50588 1 187 . 1 . 1 24 24 ASN CB C 13 40.995 . . . . . . . . 24 N CB . 50588 1 188 . 1 . 1 24 24 ASN N N 15 119.170 . . . . . . . . 24 N N . 50588 1 189 . 1 . 1 25 25 TRP H H 1 8.262 . . . . . . . . 25 W HN . 50588 1 190 . 1 . 1 25 25 TRP HA H 1 5.673 . . . . . . . . 25 W HA . 50588 1 191 . 1 . 1 25 25 TRP HB2 H 1 3.412 . . . . . . . . 25 W HB1 . 50588 1 192 . 1 . 1 25 25 TRP HB3 H 1 2.889 . . . . . . . . 25 W HB2 . 50588 1 193 . 1 . 1 25 25 TRP C C 13 176.265 . . . . . . . . 25 W C . 50588 1 194 . 1 . 1 25 25 TRP CA C 13 55.546 . . . . . . . . 25 W CA . 50588 1 195 . 1 . 1 25 25 TRP CB C 13 34.531 . . . . . . . . 25 W CB . 50588 1 196 . 1 . 1 25 25 TRP N N 15 121.184 . . . . . . . . 25 W N . 50588 1 197 . 1 . 1 26 26 ARG H H 1 9.852 . . . . . . . . 26 R HN . 50588 1 198 . 1 . 1 26 26 ARG HA H 1 5.287 . . . . . . . . 26 R HA . 50588 1 199 . 1 . 1 26 26 ARG HB2 H 1 1.952 . . . . . . . . 26 R HB1 . 50588 1 200 . 1 . 1 26 26 ARG HB3 H 1 1.994 . . . . . . . . 26 R HB2 . 50588 1 201 . 1 . 1 26 26 ARG HG2 H 1 1.617 . . . . . . . . 26 R HG1 . 50588 1 202 . 1 . 1 26 26 ARG HG3 H 1 1.617 . . . . . . . . 26 R HG2 . 50588 1 203 . 1 . 1 26 26 ARG HD2 H 1 4.098 . . . . . . . . 26 R HD1 . 50588 1 204 . 1 . 1 26 26 ARG HD3 H 1 3.453 . . . . . . . . 26 R HD2 . 50588 1 205 . 1 . 1 26 26 ARG C C 13 175.068 . . . . . . . . 26 R C . 50588 1 206 . 1 . 1 26 26 ARG CA C 13 53.365 . . . . . . . . 26 R CA . 50588 1 207 . 1 . 1 26 26 ARG CB C 13 34.482 . . . . . . . . 26 R CB . 50588 1 208 . 1 . 1 26 26 ARG CG C 13 26.062 . . . . . . . . 26 R CG . 50588 1 209 . 1 . 1 26 26 ARG CD C 13 42.984 . . . . . . . . 26 R CD . 50588 1 210 . 1 . 1 26 26 ARG N N 15 125.215 . . . . . . . . 26 R N . 50588 1 211 . 1 . 1 27 27 LYS H H 1 11.080 . . . . . . . . 27 K HN . 50588 1 212 . 1 . 1 27 27 LYS HA H 1 4.272 . . . . . . . . 27 K HA . 50588 1 213 . 1 . 1 27 27 LYS HB2 H 1 1.852 . . . . . . . . 27 K HB1 . 50588 1 214 . 1 . 1 27 27 LYS HB3 H 1 1.852 . . . . . . . . 27 K HB2 . 50588 1 215 . 1 . 1 27 27 LYS HG2 H 1 1.297 . . . . . . . . 27 K HG1 . 50588 1 216 . 1 . 1 27 27 LYS HG3 H 1 1.297 . . . . . . . . 27 K HG2 . 50588 1 217 . 1 . 1 27 27 LYS HD2 H 1 0.870 . . . . . . . . 27 K HD1 . 50588 1 218 . 1 . 1 27 27 LYS HD3 H 1 0.931 . . . . . . . . 27 K HD2 . 50588 1 219 . 1 . 1 27 27 LYS HE2 H 1 2.914 . . . . . . . . 27 K HE1 . 50588 1 220 . 1 . 1 27 27 LYS HE3 H 1 2.914 . . . . . . . . 27 K HE2 . 50588 1 221 . 1 . 1 27 27 LYS C C 13 176.420 . . . . . . . . 27 K C . 50588 1 222 . 1 . 1 27 27 LYS CA C 13 56.576 . . . . . . . . 27 K CA . 50588 1 223 . 1 . 1 27 27 LYS CB C 13 33.554 . . . . . . . . 27 K CB . 50588 1 224 . 1 . 1 27 27 LYS CG C 13 23.315 . . . . . . . . 27 K CG . 50588 1 225 . 1 . 1 27 27 LYS CD C 13 26.484 . . . . . . . . 27 K CD . 50588 1 226 . 1 . 1 27 27 LYS CE C 13 42.023 . . . . . . . . 27 K CE . 50588 1 227 . 1 . 1 27 27 LYS N N 15 111.088 . . . . . . . . 27 K N . 50588 1 228 . 1 . 1 28 28 TYR H H 1 8.847 . . . . . . . . 28 Y HN . 50588 1 229 . 1 . 1 28 28 TYR HA H 1 5.308 . . . . . . . . 28 Y HA . 50588 1 230 . 1 . 1 28 28 TYR HB2 H 1 3.730 . . . . . . . . 28 Y HB1 . 50588 1 231 . 1 . 1 28 28 TYR HB3 H 1 2.532 . . . . . . . . 28 Y HB2 . 50588 1 232 . 1 . 1 28 28 TYR HD1 H 1 7.011 . . . . . . . . 28 Y HD1 . 50588 1 233 . 1 . 1 28 28 TYR HE1 H 1 6.637 . . . . . . . . 28 Y HE1 . 50588 1 234 . 1 . 1 28 28 TYR C C 13 173.412 . . . . . . . . 28 Y C . 50588 1 235 . 1 . 1 28 28 TYR CA C 13 55.893 . . . . . . . . 28 Y CA . 50588 1 236 . 1 . 1 28 28 TYR CB C 13 39.439 . . . . . . . . 28 Y CB . 50588 1 237 . 1 . 1 28 28 TYR CD1 C 13 134.093 . . . . . . . . 28 Y CD1 . 50588 1 238 . 1 . 1 28 28 TYR CE1 C 13 117.631 . . . . . . . . 28 Y CE1 . 50588 1 239 . 1 . 1 28 28 TYR N N 15 119.816 . . . . . . . . 28 Y N . 50588 1 240 . 1 . 1 29 29 GLY H H 1 7.000 . . . . . . . . 29 G HN . 50588 1 241 . 1 . 1 29 29 GLY HA2 H 1 3.531 . . . . . . . . 29 G HA1 . 50588 1 242 . 1 . 1 29 29 GLY HA3 H 1 4.269 . . . . . . . . 29 G HA2 . 50588 1 243 . 1 . 1 29 29 GLY C C 13 171.425 . . . . . . . . 29 G C . 50588 1 244 . 1 . 1 29 29 GLY CA C 13 46.076 . . . . . . . . 29 G CA . 50588 1 245 . 1 . 1 29 29 GLY N N 15 129.987 . . . . . . . . 29 G N . 50588 1 246 . 1 . 1 30 30 GLN H H 1 9.154 . . . . . . . . 30 Q HN . 50588 1 247 . 1 . 1 30 30 GLN HA H 1 5.459 . . . . . . . . 30 Q HA . 50588 1 248 . 1 . 1 30 30 GLN HB2 H 1 1.842 . . . . . . . . 30 Q HB1 . 50588 1 249 . 1 . 1 30 30 GLN HB3 H 1 1.842 . . . . . . . . 30 Q HB2 . 50588 1 250 . 1 . 1 30 30 GLN HG2 H 1 2.085 . . . . . . . . 30 Q HG1 . 50588 1 251 . 1 . 1 30 30 GLN HG3 H 1 2.085 . . . . . . . . 30 Q HG2 . 50588 1 252 . 1 . 1 30 30 GLN C C 13 172.967 . . . . . . . . 30 Q C . 50588 1 253 . 1 . 1 30 30 GLN CA C 13 56.663 . . . . . . . . 30 Q CA . 50588 1 254 . 1 . 1 30 30 GLN CB C 13 33.058 . . . . . . . . 30 Q CB . 50588 1 255 . 1 . 1 30 30 GLN CG C 13 35.217 . . . . . . . . 30 Q CG . 50588 1 256 . 1 . 1 30 30 GLN N N 15 123.822 . . . . . . . . 30 Q N . 50588 1 257 . 1 . 1 31 31 LYS H H 1 9.342 . . . . . . . . 31 K HN . 50588 1 258 . 1 . 1 31 31 LYS HA H 1 4.970 . . . . . . . . 31 K HA . 50588 1 259 . 1 . 1 31 31 LYS HB2 H 1 1.897 . . . . . . . . 31 K HB1 . 50588 1 260 . 1 . 1 31 31 LYS HB3 H 1 1.745 . . . . . . . . 31 K HB2 . 50588 1 261 . 1 . 1 31 31 LYS HG2 H 1 1.676 . . . . . . . . 31 K HG1 . 50588 1 262 . 1 . 1 31 31 LYS HG3 H 1 1.390 . . . . . . . . 31 K HG2 . 50588 1 263 . 1 . 1 31 31 LYS HD2 H 1 1.678 . . . . . . . . 31 K HD1 . 50588 1 264 . 1 . 1 31 31 LYS HD3 H 1 1.678 . . . . . . . . 31 K HD2 . 50588 1 265 . 1 . 1 31 31 LYS HE2 H 1 4.382 . . . . . . . . 31 K HE1 . 50588 1 266 . 1 . 1 31 31 LYS HE3 H 1 4.382 . . . . . . . . 31 K HE2 . 50588 1 267 . 1 . 1 31 31 LYS C C 13 175.847 . . . . . . . . 31 K C . 50588 1 268 . 1 . 1 31 31 LYS CA C 13 52.411 . . . . . . . . 31 K CA . 50588 1 269 . 1 . 1 31 31 LYS CB C 13 34.100 . . . . . . . . 31 K CB . 50588 1 270 . 1 . 1 31 31 LYS CG C 13 24.642 . . . . . . . . 31 K CG . 50588 1 271 . 1 . 1 31 31 LYS CD C 13 26.481 . . . . . . . . 31 K CD . 50588 1 272 . 1 . 1 31 31 LYS CE C 13 39.096 . . . . . . . . 31 K CE . 50588 1 273 . 1 . 1 31 31 LYS N N 15 123.904 . . . . . . . . 31 K N . 50588 1 274 . 1 . 1 32 32 LEU H H 1 8.651 . . . . . . . . 32 L HN . 50588 1 275 . 1 . 1 32 32 LEU HA H 1 5.090 . . . . . . . . 32 L HA . 50588 1 276 . 1 . 1 32 32 LEU HB2 H 1 1.511 . . . . . . . . 32 L HB1 . 50588 1 277 . 1 . 1 32 32 LEU HB3 H 1 1.822 . . . . . . . . 32 L HB2 . 50588 1 278 . 1 . 1 32 32 LEU HG H 1 1.711 . . . . . . . . 32 L HG . 50588 1 279 . 1 . 1 32 32 LEU HD11 H 1 0.864 . . . . . . . . 32 L HD11 . 50588 1 280 . 1 . 1 32 32 LEU HD12 H 1 0.864 . . . . . . . . 32 L HD11 . 50588 1 281 . 1 . 1 32 32 LEU HD13 H 1 0.864 . . . . . . . . 32 L HD11 . 50588 1 282 . 1 . 1 32 32 LEU HD21 H 1 0.896 . . . . . . . . 32 L HD21 . 50588 1 283 . 1 . 1 32 32 LEU HD22 H 1 0.896 . . . . . . . . 32 L HD21 . 50588 1 284 . 1 . 1 32 32 LEU HD23 H 1 0.896 . . . . . . . . 32 L HD21 . 50588 1 285 . 1 . 1 32 32 LEU CA C 13 55.014 . . . . . . . . 32 L CA . 50588 1 286 . 1 . 1 32 32 LEU CB C 13 42.431 . . . . . . . . 32 L CB . 50588 1 287 . 1 . 1 32 32 LEU CG C 13 24.819 . . . . . . . . 32 L CG . 50588 1 288 . 1 . 1 32 32 LEU CD1 C 13 21.646 . . . . . . . . 32 L CD1 . 50588 1 289 . 1 . 1 32 32 LEU CD2 C 13 21.646 . . . . . . . . 32 L CD2 . 50588 1 290 . 1 . 1 32 32 LEU N N 15 124.441 . . . . . . . . 32 L N . 50588 1 291 . 1 . 1 33 33 VAL H H 1 8.831 . . . . . . . . 33 V HN . 50588 1 292 . 1 . 1 33 33 VAL HA H 1 5.068 . . . . . . . . 33 V HA . 50588 1 293 . 1 . 1 33 33 VAL HB H 1 2.330 . . . . . . . . 33 V HB . 50588 1 294 . 1 . 1 33 33 VAL HG11 H 1 0.975 . . . . . . . . 33 V HG11 . 50588 1 295 . 1 . 1 33 33 VAL HG12 H 1 0.975 . . . . . . . . 33 V HG11 . 50588 1 296 . 1 . 1 33 33 VAL HG13 H 1 0.975 . . . . . . . . 33 V HG11 . 50588 1 297 . 1 . 1 33 33 VAL HG21 H 1 0.721 . . . . . . . . 33 V HG21 . 50588 1 298 . 1 . 1 33 33 VAL HG22 H 1 0.721 . . . . . . . . 33 V HG21 . 50588 1 299 . 1 . 1 33 33 VAL HG23 H 1 0.721 . . . . . . . . 33 V HG21 . 50588 1 300 . 1 . 1 33 33 VAL CA C 13 59.624 . . . . . . . . 33 V CA . 50588 1 301 . 1 . 1 33 33 VAL CB C 13 36.683 . . . . . . . . 33 V CB . 50588 1 302 . 1 . 1 33 33 VAL CG1 C 13 21.710 . . . . . . . . 33 V CG1 . 50588 1 303 . 1 . 1 33 33 VAL CG2 C 13 19.036 . . . . . . . . 33 V CG2 . 50588 1 304 . 1 . 1 33 33 VAL N N 15 118.888 . . . . . . . . 33 V N . 50588 1 305 . 1 . 1 34 34 LYS HA H 1 3.922 . . . . . . . . 34 K HA . 50588 1 306 . 1 . 1 34 34 LYS HB2 H 1 1.960 . . . . . . . . 34 K HB1 . 50588 1 307 . 1 . 1 34 34 LYS HB3 H 1 2.121 . . . . . . . . 34 K HB2 . 50588 1 308 . 1 . 1 34 34 LYS HG2 H 1 1.403 . . . . . . . . 34 K HG1 . 50588 1 309 . 1 . 1 34 34 LYS HG3 H 1 1.439 . . . . . . . . 34 K HG2 . 50588 1 310 . 1 . 1 34 34 LYS HD2 H 1 1.439 . . . . . . . . 34 K HD1 . 50588 1 311 . 1 . 1 34 34 LYS HD3 H 1 1.512 . . . . . . . . 34 K HD2 . 50588 1 312 . 1 . 1 34 34 LYS HE2 H 1 2.691 . . . . . . . . 34 K HE1 . 50588 1 313 . 1 . 1 34 34 LYS HE3 H 1 2.636 . . . . . . . . 34 K HE2 . 50588 1 314 . 1 . 1 34 34 LYS C C 13 178.304 . . . . . . . . 34 K C . 50588 1 315 . 1 . 1 34 34 LYS CA C 13 57.271 . . . . . . . . 34 K CA . 50588 1 316 . 1 . 1 34 34 LYS CB C 13 30.401 . . . . . . . . 34 K CB . 50588 1 317 . 1 . 1 34 34 LYS CG C 13 25.724 . . . . . . . . 34 K CG . 50588 1 318 . 1 . 1 34 34 LYS CD C 13 29.867 . . . . . . . . 34 K CD . 50588 1 319 . 1 . 1 34 34 LYS CE C 13 42.003 . . . . . . . . 34 K CE . 50588 1 320 . 1 . 1 35 35 GLY H H 1 9.161 . . . . . . . . 35 G HN . 50588 1 321 . 1 . 1 35 35 GLY HA2 H 1 3.934 . . . . . . . . 35 G HA1 . 50588 1 322 . 1 . 1 35 35 GLY HA3 H 1 3.843 . . . . . . . . 35 G HA2 . 50588 1 323 . 1 . 1 35 35 GLY C C 13 175.493 . . . . . . . . 35 G C . 50588 1 324 . 1 . 1 35 35 GLY CA C 13 46.891 . . . . . . . . 35 G CA . 50588 1 325 . 1 . 1 35 35 GLY N N 15 112.400 . . . . . . . . 35 G N . 50588 1 326 . 1 . 1 36 36 ASN H H 1 7.941 . . . . . . . . 36 N HN . 50588 1 327 . 1 . 1 36 36 ASN HA H 1 4.118 . . . . . . . . 36 N HA . 50588 1 328 . 1 . 1 36 36 ASN HB2 H 1 3.014 . . . . . . . . 36 N HB1 . 50588 1 329 . 1 . 1 36 36 ASN HB3 H 1 3.184 . . . . . . . . 36 N HB2 . 50588 1 330 . 1 . 1 36 36 ASN C C 13 174.207 . . . . . . . . 36 N C . 50588 1 331 . 1 . 1 36 36 ASN CA C 13 54.529 . . . . . . . . 36 N CA . 50588 1 332 . 1 . 1 36 36 ASN CB C 13 36.815 . . . . . . . . 36 N CB . 50588 1 333 . 1 . 1 36 36 ASN N N 15 112.427 . . . . . . . . 36 N N . 50588 1 334 . 1 . 1 37 37 GLU H H 1 7.602 . . . . . . . . 37 E HN . 50588 1 335 . 1 . 1 37 37 GLU HA H 1 4.142 . . . . . . . . 37 E HA . 50588 1 336 . 1 . 1 37 37 GLU HB2 H 1 1.884 . . . . . . . . 37 E HB1 . 50588 1 337 . 1 . 1 37 37 GLU HB3 H 1 2.046 . . . . . . . . 37 E HB2 . 50588 1 338 . 1 . 1 37 37 GLU HG2 H 1 2.301 . . . . . . . . 37 E HG1 . 50588 1 339 . 1 . 1 37 37 GLU HG3 H 1 2.301 . . . . . . . . 37 E HG2 . 50588 1 340 . 1 . 1 37 37 GLU C C 13 175.828 . . . . . . . . 37 E C . 50588 1 341 . 1 . 1 37 37 GLU CA C 13 57.965 . . . . . . . . 37 E CA . 50588 1 342 . 1 . 1 37 37 GLU CB C 13 31.240 . . . . . . . . 37 E CB . 50588 1 343 . 1 . 1 37 37 GLU CG C 13 36.800 . . . . . . . . 37 E CG . 50588 1 344 . 1 . 1 37 37 GLU N N 15 118.109 . . . . . . . . 37 E N . 50588 1 345 . 1 . 1 38 38 PHE H H 1 7.973 . . . . . . . . 38 F HN . 50588 1 346 . 1 . 1 38 38 PHE HA H 1 5.067 . . . . . . . . 38 F HA . 50588 1 347 . 1 . 1 38 38 PHE HB2 H 1 2.563 . . . . . . . . 38 F HB1 . 50588 1 348 . 1 . 1 38 38 PHE HB3 H 1 2.828 . . . . . . . . 38 F HB2 . 50588 1 349 . 1 . 1 38 38 PHE C C 13 173.787 . . . . . . . . 38 F C . 50588 1 350 . 1 . 1 38 38 PHE CA C 13 56.197 . . . . . . . . 38 F CA . 50588 1 351 . 1 . 1 38 38 PHE CB C 13 42.987 . . . . . . . . 38 F CB . 50588 1 352 . 1 . 1 38 38 PHE N N 15 116.144 . . . . . . . . 38 F N . 50588 1 353 . 1 . 1 39 39 VAL H H 1 9.147 . . . . . . . . 39 V HN . 50588 1 354 . 1 . 1 39 39 VAL HA H 1 4.602 . . . . . . . . 39 V HA . 50588 1 355 . 1 . 1 39 39 VAL HB H 1 1.851 . . . . . . . . 39 V HB . 50588 1 356 . 1 . 1 39 39 VAL HG11 H 1 0.831 . . . . . . . . 39 V HG11 . 50588 1 357 . 1 . 1 39 39 VAL HG12 H 1 0.831 . . . . . . . . 39 V HG11 . 50588 1 358 . 1 . 1 39 39 VAL HG13 H 1 0.831 . . . . . . . . 39 V HG11 . 50588 1 359 . 1 . 1 39 39 VAL HG21 H 1 0.785 . . . . . . . . 39 V HG21 . 50588 1 360 . 1 . 1 39 39 VAL HG22 H 1 0.785 . . . . . . . . 39 V HG21 . 50588 1 361 . 1 . 1 39 39 VAL HG23 H 1 0.785 . . . . . . . . 39 V HG21 . 50588 1 362 . 1 . 1 39 39 VAL C C 13 175.707 . . . . . . . . 39 V C . 50588 1 363 . 1 . 1 39 39 VAL CA C 13 61.371 . . . . . . . . 39 V CA . 50588 1 364 . 1 . 1 39 39 VAL CB C 13 33.232 . . . . . . . . 39 V CB . 50588 1 365 . 1 . 1 39 39 VAL CG1 C 13 20.601 . . . . . . . . 39 V CG1 . 50588 1 366 . 1 . 1 39 39 VAL CG2 C 13 21.481 . . . . . . . . 39 V CG2 . 50588 1 367 . 1 . 1 39 39 VAL N N 15 121.159 . . . . . . . . 39 V N . 50588 1 368 . 1 . 1 40 40 ARG H H 1 9.844 . . . . . . . . 40 R HN . 50588 1 369 . 1 . 1 40 40 ARG HA H 1 5.177 . . . . . . . . 40 R HA . 50588 1 370 . 1 . 1 40 40 ARG HB2 H 1 1.632 . . . . . . . . 40 R HB1 . 50588 1 371 . 1 . 1 40 40 ARG HB3 H 1 1.632 . . . . . . . . 40 R HB2 . 50588 1 372 . 1 . 1 40 40 ARG HG2 H 1 0.567 . . . . . . . . 40 R HG1 . 50588 1 373 . 1 . 1 40 40 ARG HG3 H 1 1.019 . . . . . . . . 40 R HG2 . 50588 1 374 . 1 . 1 40 40 ARG HD2 H 1 3.002 . . . . . . . . 40 R HD1 . 50588 1 375 . 1 . 1 40 40 ARG HD3 H 1 2.868 . . . . . . . . 40 R HD2 . 50588 1 376 . 1 . 1 40 40 ARG C C 13 174.015 . . . . . . . . 40 R C . 50588 1 377 . 1 . 1 40 40 ARG CA C 13 54.919 . . . . . . . . 40 R CA . 50588 1 378 . 1 . 1 40 40 ARG CB C 13 34.290 . . . . . . . . 40 R CB . 50588 1 379 . 1 . 1 40 40 ARG CG C 13 27.092 . . . . . . . . 40 R CG . 50588 1 380 . 1 . 1 40 40 ARG CD C 13 43.488 . . . . . . . . 40 R CD . 50588 1 381 . 1 . 1 40 40 ARG N N 15 109.755 . . . . . . . . 40 R N . 50588 1 382 . 1 . 1 41 41 SER H H 1 9.242 . . . . . . . . 41 S HN . 50588 1 383 . 1 . 1 41 41 SER HA H 1 4.982 . . . . . . . . 41 S HA . 50588 1 384 . 1 . 1 41 41 SER HB2 H 1 3.868 . . . . . . . . 41 S HB1 . 50588 1 385 . 1 . 1 41 41 SER HB3 H 1 3.656 . . . . . . . . 41 S HB2 . 50588 1 386 . 1 . 1 41 41 SER C C 13 172.190 . . . . . . . . 41 S C . 50588 1 387 . 1 . 1 41 41 SER CA C 13 58.225 . . . . . . . . 41 S CA . 50588 1 388 . 1 . 1 41 41 SER CB C 13 66.629 . . . . . . . . 41 S CB . 50588 1 389 . 1 . 1 41 41 SER N N 15 121.582 . . . . . . . . 41 S N . 50588 1 390 . 1 . 1 42 42 TYR H H 1 7.408 . . . . . . . . 42 Y HN . 50588 1 391 . 1 . 1 42 42 TYR HA H 1 4.454 . . . . . . . . 42 Y HA . 50588 1 392 . 1 . 1 42 42 TYR HB2 H 1 2.135 . . . . . . . . 42 Y HB1 . 50588 1 393 . 1 . 1 42 42 TYR HB3 H 1 1.336 . . . . . . . . 42 Y HB2 . 50588 1 394 . 1 . 1 42 42 TYR C C 13 173.688 . . . . . . . . 42 Y C . 50588 1 395 . 1 . 1 42 42 TYR CA C 13 57.957 . . . . . . . . 42 Y CA . 50588 1 396 . 1 . 1 42 42 TYR CB C 13 38.188 . . . . . . . . 42 Y CB . 50588 1 397 . 1 . 1 42 42 TYR N N 15 123.387 . . . . . . . . 42 Y N . 50588 1 398 . 1 . 1 43 43 TYR H H 1 8.978 . . . . . . . . 43 Y HN . 50588 1 399 . 1 . 1 43 43 TYR HA H 1 5.748 . . . . . . . . 43 Y HA . 50588 1 400 . 1 . 1 43 43 TYR HB2 H 1 2.668 . . . . . . . . 43 Y HB1 . 50588 1 401 . 1 . 1 43 43 TYR HB3 H 1 3.001 . . . . . . . . 43 Y HB2 . 50588 1 402 . 1 . 1 43 43 TYR HD2 H 1 6.801 . . . . . . . . 43 Y HD2 . 50588 1 403 . 1 . 1 43 43 TYR C C 13 176.372 . . . . . . . . 43 Y C . 50588 1 404 . 1 . 1 43 43 TYR CA C 13 57.243 . . . . . . . . 43 Y CA . 50588 1 405 . 1 . 1 43 43 TYR CB C 13 42.691 . . . . . . . . 43 Y CB . 50588 1 406 . 1 . 1 43 43 TYR CD2 C 13 132.670 . . . . . . . . 43 Y CD2 . 50588 1 407 . 1 . 1 43 43 TYR N N 15 120.675 . . . . . . . . 43 Y N . 50588 1 408 . 1 . 1 44 44 ARG H H 1 9.979 . . . . . . . . 44 R HN . 50588 1 409 . 1 . 1 44 44 ARG HA H 1 5.862 . . . . . . . . 44 R HA . 50588 1 410 . 1 . 1 44 44 ARG HB2 H 1 1.972 . . . . . . . . 44 R HB1 . 50588 1 411 . 1 . 1 44 44 ARG HB3 H 1 2.423 . . . . . . . . 44 R HB2 . 50588 1 412 . 1 . 1 44 44 ARG HG2 H 1 1.974 . . . . . . . . 44 R HG1 . 50588 1 413 . 1 . 1 44 44 ARG HG3 H 1 1.767 . . . . . . . . 44 R HG2 . 50588 1 414 . 1 . 1 44 44 ARG HD2 H 1 3.161 . . . . . . . . 44 R HD1 . 50588 1 415 . 1 . 1 44 44 ARG HD3 H 1 3.035 . . . . . . . . 44 R HD2 . 50588 1 416 . 1 . 1 44 44 ARG C C 13 174.499 . . . . . . . . 44 R C . 50588 1 417 . 1 . 1 44 44 ARG CA C 13 53.724 . . . . . . . . 44 R CA . 50588 1 418 . 1 . 1 44 44 ARG CB C 13 33.063 . . . . . . . . 44 R CB . 50588 1 419 . 1 . 1 44 44 ARG CG C 13 26.468 . . . . . . . . 44 R CG . 50588 1 420 . 1 . 1 44 44 ARG CD C 13 43.430 . . . . . . . . 44 R CD . 50588 1 421 . 1 . 1 44 44 ARG N N 15 119.971 . . . . . . . . 44 R N . 50588 1 422 . 1 . 1 45 45 CYS H H 1 8.302 . . . . . . . . 45 C HN . 50588 1 423 . 1 . 1 45 45 CYS HA H 1 4.457 . . . . . . . . 45 C HA . 50588 1 424 . 1 . 1 45 45 CYS HB2 H 1 2.854 . . . . . . . . 45 C HB1 . 50588 1 425 . 1 . 1 45 45 CYS HB3 H 1 2.484 . . . . . . . . 45 C HB2 . 50588 1 426 . 1 . 1 45 45 CYS C C 13 176.861 . . . . . . . . 45 C C . 50588 1 427 . 1 . 1 45 45 CYS CA C 13 59.874 . . . . . . . . 45 C CA . 50588 1 428 . 1 . 1 45 45 CYS CB C 13 30.687 . . . . . . . . 45 C CB . 50588 1 429 . 1 . 1 45 45 CYS N N 15 128.387 . . . . . . . . 45 C N . 50588 1 430 . 1 . 1 46 46 THR H H 1 8.148 . . . . . . . . 46 T HN . 50588 1 431 . 1 . 1 46 46 THR HA H 1 4.380 . . . . . . . . 46 T HA . 50588 1 432 . 1 . 1 46 46 THR HB H 1 4.576 . . . . . . . . 46 T HB . 50588 1 433 . 1 . 1 46 46 THR HG21 H 1 1.300 . . . . . . . . 46 T HG21 . 50588 1 434 . 1 . 1 46 46 THR HG22 H 1 1.300 . . . . . . . . 46 T HG21 . 50588 1 435 . 1 . 1 46 46 THR HG23 H 1 1.300 . . . . . . . . 46 T HG21 . 50588 1 436 . 1 . 1 46 46 THR C C 13 175.907 . . . . . . . . 46 T C . 50588 1 437 . 1 . 1 46 46 THR CA C 13 62.564 . . . . . . . . 46 T CA . 50588 1 438 . 1 . 1 46 46 THR CB C 13 69.073 . . . . . . . . 46 T CB . 50588 1 439 . 1 . 1 46 46 THR CG2 C 13 23.243 . . . . . . . . 46 T CG2 . 50588 1 440 . 1 . 1 46 46 THR N N 15 117.564 . . . . . . . . 46 T N . 50588 1 441 . 1 . 1 47 47 HIS H H 1 9.436 . . . . . . . . 47 H HN . 50588 1 442 . 1 . 1 47 47 HIS HA H 1 4.884 . . . . . . . . 47 H HA . 50588 1 443 . 1 . 1 47 47 HIS HB2 H 1 2.694 . . . . . . . . 47 H HB1 . 50588 1 444 . 1 . 1 47 47 HIS HB3 H 1 2.694 . . . . . . . . 47 H HB2 . 50588 1 445 . 1 . 1 47 47 HIS CA C 13 52.651 . . . . . . . . 47 H CA . 50588 1 446 . 1 . 1 47 47 HIS CB C 13 30.282 . . . . . . . . 47 H CB . 50588 1 447 . 1 . 1 47 47 HIS N N 15 108.734 . . . . . . . . 47 H N . 50588 1 448 . 1 . 1 48 48 PRO CA C 13 64.735 . . . . . . . . 48 P CA . 50588 1 449 . 1 . 1 48 48 PRO CB C 13 31.546 . . . . . . . . 48 P CB . 50588 1 450 . 1 . 1 49 49 ASN H H 1 9.028 . . . . . . . . 49 N HN . 50588 1 451 . 1 . 1 49 49 ASN HA H 1 4.343 . . . . . . . . 49 N HA . 50588 1 452 . 1 . 1 49 49 ASN HB2 H 1 3.073 . . . . . . . . 49 N HB1 . 50588 1 453 . 1 . 1 49 49 ASN HB3 H 1 3.138 . . . . . . . . 49 N HB2 . 50588 1 454 . 1 . 1 49 49 ASN C C 13 173.702 . . . . . . . . 49 N C . 50588 1 455 . 1 . 1 49 49 ASN CA C 13 55.223 . . . . . . . . 49 N CA . 50588 1 456 . 1 . 1 49 49 ASN CB C 13 38.401 . . . . . . . . 49 N CB . 50588 1 457 . 1 . 1 49 49 ASN N N 15 117.899 . . . . . . . . 49 N N . 50588 1 458 . 1 . 1 50 50 CYS H H 1 8.216 . . . . . . . . 50 C HN . 50588 1 459 . 1 . 1 50 50 CYS HA H 1 4.560 . . . . . . . . 50 C HA . 50588 1 460 . 1 . 1 50 50 CYS HB2 H 1 3.081 . . . . . . . . 50 C HB1 . 50588 1 461 . 1 . 1 50 50 CYS HB3 H 1 3.116 . . . . . . . . 50 C HB2 . 50588 1 462 . 1 . 1 50 50 CYS C C 13 176.918 . . . . . . . . 50 C C . 50588 1 463 . 1 . 1 50 50 CYS CA C 13 61.131 . . . . . . . . 50 C CA . 50588 1 464 . 1 . 1 50 50 CYS CB C 13 31.529 . . . . . . . . 50 C CB . 50588 1 465 . 1 . 1 50 50 CYS N N 15 125.159 . . . . . . . . 50 C N . 50588 1 466 . 1 . 1 51 51 LYS H H 1 9.242 . . . . . . . . 51 K HN . 50588 1 467 . 1 . 1 51 51 LYS HA H 1 4.570 . . . . . . . . 51 K HA . 50588 1 468 . 1 . 1 51 51 LYS HB2 H 1 1.846 . . . . . . . . 51 K HB1 . 50588 1 469 . 1 . 1 51 51 LYS HB3 H 1 2.184 . . . . . . . . 51 K HB2 . 50588 1 470 . 1 . 1 51 51 LYS HG2 H 1 1.606 . . . . . . . . 51 K HG1 . 50588 1 471 . 1 . 1 51 51 LYS HG3 H 1 1.507 . . . . . . . . 51 K HG2 . 50588 1 472 . 1 . 1 51 51 LYS HD2 H 1 1.706 . . . . . . . . 51 K HD1 . 50588 1 473 . 1 . 1 51 51 LYS HD3 H 1 1.706 . . . . . . . . 51 K HD2 . 50588 1 474 . 1 . 1 51 51 LYS HE2 H 1 3.055 . . . . . . . . 51 K HE1 . 50588 1 475 . 1 . 1 51 51 LYS HE3 H 1 3.055 . . . . . . . . 51 K HE2 . 50588 1 476 . 1 . 1 51 51 LYS C C 13 176.636 . . . . . . . . 51 K C . 50588 1 477 . 1 . 1 51 51 LYS CA C 13 56.088 . . . . . . . . 51 K CA . 50588 1 478 . 1 . 1 51 51 LYS CB C 13 32.712 . . . . . . . . 51 K CB . 50588 1 479 . 1 . 1 51 51 LYS CG C 13 25.081 . . . . . . . . 51 K CG . 50588 1 480 . 1 . 1 51 51 LYS CD C 13 28.729 . . . . . . . . 51 K CD . 50588 1 481 . 1 . 1 51 51 LYS CE C 13 42.475 . . . . . . . . 51 K CE . 50588 1 482 . 1 . 1 51 51 LYS N N 15 129.564 . . . . . . . . 51 K N . 50588 1 483 . 1 . 1 52 52 ALA H H 1 8.895 . . . . . . . . 52 A HN . 50588 1 484 . 1 . 1 52 52 ALA HA H 1 4.264 . . . . . . . . 52 A HA . 50588 1 485 . 1 . 1 52 52 ALA HB1 H 1 0.658 . . . . . . . . 52 A HB1 . 50588 1 486 . 1 . 1 52 52 ALA HB2 H 1 0.658 . . . . . . . . 52 A HB1 . 50588 1 487 . 1 . 1 52 52 ALA HB3 H 1 0.658 . . . . . . . . 52 A HB1 . 50588 1 488 . 1 . 1 52 52 ALA C C 13 177.403 . . . . . . . . 52 A C . 50588 1 489 . 1 . 1 52 52 ALA CA C 13 54.627 . . . . . . . . 52 A CA . 50588 1 490 . 1 . 1 52 52 ALA CB C 13 17.912 . . . . . . . . 52 A CB . 50588 1 491 . 1 . 1 52 52 ALA N N 15 127.593 . . . . . . . . 52 A N . 50588 1 492 . 1 . 1 53 53 LYS H H 1 8.875 . . . . . . . . 53 K HN . 50588 1 493 . 1 . 1 53 53 LYS HA H 1 5.679 . . . . . . . . 53 K HA . 50588 1 494 . 1 . 1 53 53 LYS HB2 H 1 1.981 . . . . . . . . 53 K HB1 . 50588 1 495 . 1 . 1 53 53 LYS HB3 H 1 2.601 . . . . . . . . 53 K HB2 . 50588 1 496 . 1 . 1 53 53 LYS HG2 H 1 1.766 . . . . . . . . 53 K HG1 . 50588 1 497 . 1 . 1 53 53 LYS HG3 H 1 1.766 . . . . . . . . 53 K HG2 . 50588 1 498 . 1 . 1 53 53 LYS HD2 H 1 1.906 . . . . . . . . 53 K HD1 . 50588 1 499 . 1 . 1 53 53 LYS HD3 H 1 1.776 . . . . . . . . 53 K HD2 . 50588 1 500 . 1 . 1 53 53 LYS HE2 H 1 2.924 . . . . . . . . 53 K HE1 . 50588 1 501 . 1 . 1 53 53 LYS HE3 H 1 2.924 . . . . . . . . 53 K HE2 . 50588 1 502 . 1 . 1 53 53 LYS C C 13 175.945 . . . . . . . . 53 K C . 50588 1 503 . 1 . 1 53 53 LYS CA C 13 55.810 . . . . . . . . 53 K CA . 50588 1 504 . 1 . 1 53 53 LYS CB C 13 39.322 . . . . . . . . 53 K CB . 50588 1 505 . 1 . 1 53 53 LYS CG C 13 26.278 . . . . . . . . 53 K CG . 50588 1 506 . 1 . 1 53 53 LYS CD C 13 29.889 . . . . . . . . 53 K CD . 50588 1 507 . 1 . 1 53 53 LYS CE C 13 42.532 . . . . . . . . 53 K CE . 50588 1 508 . 1 . 1 53 53 LYS N N 15 121.052 . . . . . . . . 53 K N . 50588 1 509 . 1 . 1 54 54 LYS H H 1 9.151 . . . . . . . . 54 K HN . 50588 1 510 . 1 . 1 54 54 LYS HA H 1 5.305 . . . . . . . . 54 K HA . 50588 1 511 . 1 . 1 54 54 LYS HB2 H 1 1.032 . . . . . . . . 54 K HB1 . 50588 1 512 . 1 . 1 54 54 LYS HB3 H 1 0.678 . . . . . . . . 54 K HB2 . 50588 1 513 . 1 . 1 54 54 LYS HG2 H 1 -0.077 . . . . . . . . 54 K HG1 . 50588 1 514 . 1 . 1 54 54 LYS HG3 H 1 0.075 . . . . . . . . 54 K HG2 . 50588 1 515 . 1 . 1 54 54 LYS HD2 H 1 0.165 . . . . . . . . 54 K HD1 . 50588 1 516 . 1 . 1 54 54 LYS HD3 H 1 0.270 . . . . . . . . 54 K HD2 . 50588 1 517 . 1 . 1 54 54 LYS C C 13 174.561 . . . . . . . . 54 K C . 50588 1 518 . 1 . 1 54 54 LYS CA C 13 55.524 . . . . . . . . 54 K CA . 50588 1 519 . 1 . 1 54 54 LYS CB C 13 36.014 . . . . . . . . 54 K CB . 50588 1 520 . 1 . 1 54 54 LYS CG C 13 23.818 . . . . . . . . 54 K CG . 50588 1 521 . 1 . 1 54 54 LYS CD C 13 31.170 . . . . . . . . 54 K CD . 50588 1 522 . 1 . 1 54 54 LYS CE C 13 44.193 . . . . . . . . 54 K CE . 50588 1 523 . 1 . 1 54 54 LYS N N 15 118.253 . . . . . . . . 54 K N . 50588 1 524 . 1 . 1 55 55 GLN H H 1 9.324 . . . . . . . . 55 Q HN . 50588 1 525 . 1 . 1 55 55 GLN HA H 1 5.263 . . . . . . . . 55 Q HA . 50588 1 526 . 1 . 1 55 55 GLN HB2 H 1 1.519 . . . . . . . . 55 Q HB1 . 50588 1 527 . 1 . 1 55 55 GLN HB3 H 1 1.858 . . . . . . . . 55 Q HB2 . 50588 1 528 . 1 . 1 55 55 GLN HG2 H 1 2.040 . . . . . . . . 55 Q HG1 . 50588 1 529 . 1 . 1 55 55 GLN HG3 H 1 2.283 . . . . . . . . 55 Q HG2 . 50588 1 530 . 1 . 1 55 55 GLN CA C 13 53.374 . . . . . . . . 55 Q CA . 50588 1 531 . 1 . 1 55 55 GLN CB C 13 31.524 . . . . . . . . 55 Q CB . 50588 1 532 . 1 . 1 55 55 GLN CG C 13 33.161 . . . . . . . . 55 Q CG . 50588 1 533 . 1 . 1 55 55 GLN N N 15 122.547 . . . . . . . . 55 Q N . 50588 1 534 . 1 . 1 56 56 LEU H H 1 8.647 . . . . . . . . 56 L HN . 50588 1 535 . 1 . 1 56 56 LEU HA H 1 5.050 . . . . . . . . 56 L HA . 50588 1 536 . 1 . 1 56 56 LEU HB2 H 1 1.362 . . . . . . . . 56 L HB1 . 50588 1 537 . 1 . 1 56 56 LEU HB3 H 1 1.575 . . . . . . . . 56 L HB2 . 50588 1 538 . 1 . 1 56 56 LEU HG H 1 1.556 . . . . . . . . 56 L HG . 50588 1 539 . 1 . 1 56 56 LEU HD11 H 1 0.669 . . . . . . . . 56 L HD11 . 50588 1 540 . 1 . 1 56 56 LEU HD12 H 1 0.669 . . . . . . . . 56 L HD11 . 50588 1 541 . 1 . 1 56 56 LEU HD13 H 1 0.669 . . . . . . . . 56 L HD11 . 50588 1 542 . 1 . 1 56 56 LEU HD21 H 1 0.575 . . . . . . . . 56 L HD21 . 50588 1 543 . 1 . 1 56 56 LEU HD22 H 1 0.575 . . . . . . . . 56 L HD21 . 50588 1 544 . 1 . 1 56 56 LEU HD23 H 1 0.575 . . . . . . . . 56 L HD21 . 50588 1 545 . 1 . 1 56 56 LEU C C 13 175.499 . . . . . . . . 56 L C . 50588 1 546 . 1 . 1 56 56 LEU CA C 13 54.042 . . . . . . . . 56 L CA . 50588 1 547 . 1 . 1 56 56 LEU CB C 13 45.595 . . . . . . . . 56 L CB . 50588 1 548 . 1 . 1 56 56 LEU CG C 13 28.789 . . . . . . . . 56 L CG . 50588 1 549 . 1 . 1 56 56 LEU CD1 C 13 26.166 . . . . . . . . 56 L CD1 . 50588 1 550 . 1 . 1 56 56 LEU CD2 C 13 24.730 . . . . . . . . 56 L CD2 . 50588 1 551 . 1 . 1 56 56 LEU N N 15 124.430 . . . . . . . . 56 L N . 50588 1 552 . 1 . 1 57 57 GLU H H 1 8.817 . . . . . . . . 57 E HN . 50588 1 553 . 1 . 1 57 57 GLU HA H 1 5.352 . . . . . . . . 57 E HA . 50588 1 554 . 1 . 1 57 57 GLU HB2 H 1 1.748 . . . . . . . . 57 E HB1 . 50588 1 555 . 1 . 1 57 57 GLU HB3 H 1 1.748 . . . . . . . . 57 E HB2 . 50588 1 556 . 1 . 1 57 57 GLU HG2 H 1 1.962 . . . . . . . . 57 E HG1 . 50588 1 557 . 1 . 1 57 57 GLU HG3 H 1 1.962 . . . . . . . . 57 E HG2 . 50588 1 558 . 1 . 1 57 57 GLU C C 13 174.651 . . . . . . . . 57 E C . 50588 1 559 . 1 . 1 57 57 GLU CA C 13 54.709 . . . . . . . . 57 E CA . 50588 1 560 . 1 . 1 57 57 GLU CB C 13 32.915 . . . . . . . . 57 E CB . 50588 1 561 . 1 . 1 57 57 GLU CG C 13 36.596 . . . . . . . . 57 E CG . 50588 1 562 . 1 . 1 57 57 GLU N N 15 124.512 . . . . . . . . 57 E N . 50588 1 563 . 1 . 1 58 58 ARG H H 1 8.887 . . . . . . . . 58 R HN . 50588 1 564 . 1 . 1 58 58 ARG HA H 1 5.580 . . . . . . . . 58 R HA . 50588 1 565 . 1 . 1 58 58 ARG HB2 H 1 1.718 . . . . . . . . 58 R HB1 . 50588 1 566 . 1 . 1 58 58 ARG HB3 H 1 1.634 . . . . . . . . 58 R HB2 . 50588 1 567 . 1 . 1 58 58 ARG HG2 H 1 1.523 . . . . . . . . 58 R HG1 . 50588 1 568 . 1 . 1 58 58 ARG HG3 H 1 1.523 . . . . . . . . 58 R HG2 . 50588 1 569 . 1 . 1 58 58 ARG HD2 H 1 3.073 . . . . . . . . 58 R HD1 . 50588 1 570 . 1 . 1 58 58 ARG HD3 H 1 3.126 . . . . . . . . 58 R HD2 . 50588 1 571 . 1 . 1 58 58 ARG C C 13 175.893 . . . . . . . . 58 R C . 50588 1 572 . 1 . 1 58 58 ARG CA C 13 53.983 . . . . . . . . 58 R CA . 50588 1 573 . 1 . 1 58 58 ARG CB C 13 34.694 . . . . . . . . 58 R CB . 50588 1 574 . 1 . 1 58 58 ARG CG C 13 27.532 . . . . . . . . 58 R CG . 50588 1 575 . 1 . 1 58 58 ARG CD C 13 43.813 . . . . . . . . 58 R CD . 50588 1 576 . 1 . 1 58 58 ARG N N 15 124.185 . . . . . . . . 58 R N . 50588 1 577 . 1 . 1 59 59 SER H H 1 9.127 . . . . . . . . 59 S HN . 50588 1 578 . 1 . 1 59 59 SER HA H 1 4.555 . . . . . . . . 59 S HA . 50588 1 579 . 1 . 1 59 59 SER HB2 H 1 3.850 . . . . . . . . 59 S HB1 . 50588 1 580 . 1 . 1 59 59 SER HB3 H 1 4.125 . . . . . . . . 59 S HB2 . 50588 1 581 . 1 . 1 59 59 SER C C 13 176.205 . . . . . . . . 59 S C . 50588 1 582 . 1 . 1 59 59 SER CA C 13 57.582 . . . . . . . . 59 S CA . 50588 1 583 . 1 . 1 59 59 SER CB C 13 64.569 . . . . . . . . 59 S CB . 50588 1 584 . 1 . 1 59 59 SER N N 15 118.733 . . . . . . . . 59 S N . 50588 1 585 . 1 . 1 60 60 ALA H H 1 8.599 . . . . . . . . 60 A HN . 50588 1 586 . 1 . 1 60 60 ALA HA H 1 3.991 . . . . . . . . 60 A HA . 50588 1 587 . 1 . 1 60 60 ALA HB1 H 1 1.326 . . . . . . . . 60 A HB1 . 50588 1 588 . 1 . 1 60 60 ALA HB2 H 1 1.326 . . . . . . . . 60 A HB1 . 50588 1 589 . 1 . 1 60 60 ALA HB3 H 1 1.326 . . . . . . . . 60 A HB1 . 50588 1 590 . 1 . 1 60 60 ALA C C 13 179.152 . . . . . . . . 60 A C . 50588 1 591 . 1 . 1 60 60 ALA CA C 13 54.955 . . . . . . . . 60 A CA . 50588 1 592 . 1 . 1 60 60 ALA CB C 13 17.721 . . . . . . . . 60 A CB . 50588 1 593 . 1 . 1 60 60 ALA N N 15 126.568 . . . . . . . . 60 A N . 50588 1 594 . 1 . 1 61 61 GLY H H 1 8.314 . . . . . . . . 61 G HN . 50588 1 595 . 1 . 1 61 61 GLY HA2 H 1 4.113 . . . . . . . . 61 G HA1 . 50588 1 596 . 1 . 1 61 61 GLY HA3 H 1 3.823 . . . . . . . . 61 G HA2 . 50588 1 597 . 1 . 1 61 61 GLY C C 13 175.067 . . . . . . . . 61 G C . 50588 1 598 . 1 . 1 61 61 GLY CA C 13 45.327 . . . . . . . . 61 G CA . 50588 1 599 . 1 . 1 61 61 GLY N N 15 106.621 . . . . . . . . 61 G N . 50588 1 600 . 1 . 1 62 62 GLY H H 1 7.957 . . . . . . . . 62 G HN . 50588 1 601 . 1 . 1 62 62 GLY HA2 H 1 3.814 . . . . . . . . 62 G HA1 . 50588 1 602 . 1 . 1 62 62 GLY HA3 H 1 4.242 . . . . . . . . 62 G HA2 . 50588 1 603 . 1 . 1 62 62 GLY CA C 13 45.096 . . . . . . . . 62 G CA . 50588 1 604 . 1 . 1 62 62 GLY N N 15 108.807 . . . . . . . . 62 G N . 50588 1 605 . 1 . 1 63 63 GLN H H 1 7.826 . . . . . . . . 63 Q HN . 50588 1 606 . 1 . 1 63 63 GLN CA C 13 57.258 . . . . . . . . 63 Q CA . 50588 1 607 . 1 . 1 63 63 GLN CB C 13 31.853 . . . . . . . . 63 Q CB . 50588 1 608 . 1 . 1 63 63 GLN N N 15 121.228 . . . . . . . . 63 Q N . 50588 1 609 . 1 . 1 67 67 THR H H 1 8.171 . . . . . . . . 67 T HN . 50588 1 610 . 1 . 1 67 67 THR HA H 1 4.925 . . . . . . . . 67 T HA . 50588 1 611 . 1 . 1 67 67 THR HB H 1 3.744 . . . . . . . . 67 T HB . 50588 1 612 . 1 . 1 67 67 THR HG21 H 1 0.553 . . . . . . . . 67 T HG21 . 50588 1 613 . 1 . 1 67 67 THR HG22 H 1 0.553 . . . . . . . . 67 T HG21 . 50588 1 614 . 1 . 1 67 67 THR HG23 H 1 0.553 . . . . . . . . 67 T HG21 . 50588 1 615 . 1 . 1 67 67 THR C C 13 173.212 . . . . . . . . 67 T C . 50588 1 616 . 1 . 1 67 67 THR CA C 13 62.210 . . . . . . . . 67 T CA . 50588 1 617 . 1 . 1 67 67 THR CB C 13 70.961 . . . . . . . . 67 T CB . 50588 1 618 . 1 . 1 67 67 THR CG2 C 13 21.709 . . . . . . . . 67 T CG2 . 50588 1 619 . 1 . 1 67 67 THR N N 15 118.649 . . . . . . . . 67 T N . 50588 1 620 . 1 . 1 68 68 VAL H H 1 8.689 . . . . . . . . 68 V HN . 50588 1 621 . 1 . 1 68 68 VAL HA H 1 4.163 . . . . . . . . 68 V HA . 50588 1 622 . 1 . 1 68 68 VAL HB H 1 1.706 . . . . . . . . 68 V HB . 50588 1 623 . 1 . 1 68 68 VAL HG11 H 1 0.527 . . . . . . . . 68 V HG11 . 50588 1 624 . 1 . 1 68 68 VAL HG12 H 1 0.527 . . . . . . . . 68 V HG11 . 50588 1 625 . 1 . 1 68 68 VAL HG13 H 1 0.527 . . . . . . . . 68 V HG11 . 50588 1 626 . 1 . 1 68 68 VAL HG21 H 1 0.730 . . . . . . . . 68 V HG21 . 50588 1 627 . 1 . 1 68 68 VAL HG22 H 1 0.730 . . . . . . . . 68 V HG21 . 50588 1 628 . 1 . 1 68 68 VAL HG23 H 1 0.730 . . . . . . . . 68 V HG21 . 50588 1 629 . 1 . 1 68 68 VAL C C 13 173.873 . . . . . . . . 68 V C . 50588 1 630 . 1 . 1 68 68 VAL CA C 13 61.097 . . . . . . . . 68 V CA . 50588 1 631 . 1 . 1 68 68 VAL CB C 13 34.869 . . . . . . . . 68 V CB . 50588 1 632 . 1 . 1 68 68 VAL CG1 C 13 22.187 . . . . . . . . 68 V CG1 . 50588 1 633 . 1 . 1 68 68 VAL CG2 C 13 20.874 . . . . . . . . 68 V CG2 . 50588 1 634 . 1 . 1 68 68 VAL N N 15 127.535 . . . . . . . . 68 V N . 50588 1 635 . 1 . 1 69 69 TYR H H 1 8.517 . . . . . . . . 69 Y HN . 50588 1 636 . 1 . 1 69 69 TYR HA H 1 4.646 . . . . . . . . 69 Y HA . 50588 1 637 . 1 . 1 69 69 TYR HB2 H 1 2.652 . . . . . . . . 69 Y HB1 . 50588 1 638 . 1 . 1 69 69 TYR HB3 H 1 3.246 . . . . . . . . 69 Y HB2 . 50588 1 639 . 1 . 1 69 69 TYR C C 13 175.361 . . . . . . . . 69 Y C . 50588 1 640 . 1 . 1 69 69 TYR CA C 13 58.941 . . . . . . . . 69 Y CA . 50588 1 641 . 1 . 1 69 69 TYR CB C 13 40.504 . . . . . . . . 69 Y CB . 50588 1 642 . 1 . 1 69 69 TYR N N 15 125.333 . . . . . . . . 69 Y N . 50588 1 643 . 1 . 1 70 70 PHE H H 1 8.690 . . . . . . . . 70 F HN . 50588 1 644 . 1 . 1 70 70 PHE HA H 1 4.833 . . . . . . . . 70 F HA . 50588 1 645 . 1 . 1 70 70 PHE HB2 H 1 2.805 . . . . . . . . 70 F HB1 . 50588 1 646 . 1 . 1 70 70 PHE HB3 H 1 3.201 . . . . . . . . 70 F HB2 . 50588 1 647 . 1 . 1 70 70 PHE C C 13 176.001 . . . . . . . . 70 F C . 50588 1 648 . 1 . 1 70 70 PHE CA C 13 57.167 . . . . . . . . 70 F CA . 50588 1 649 . 1 . 1 70 70 PHE CB C 13 42.174 . . . . . . . . 70 F CB . 50588 1 650 . 1 . 1 70 70 PHE N N 15 120.253 . . . . . . . . 70 F N . 50588 1 651 . 1 . 1 71 71 GLY H H 1 8.727 . . . . . . . . 71 G HN . 50588 1 652 . 1 . 1 71 71 GLY HA2 H 1 3.799 . . . . . . . . 71 G HA1 . 50588 1 653 . 1 . 1 71 71 GLY HA3 H 1 4.229 . . . . . . . . 71 G HA2 . 50588 1 654 . 1 . 1 71 71 GLY C C 13 172.721 . . . . . . . . 71 G C . 50588 1 655 . 1 . 1 71 71 GLY CA C 13 44.554 . . . . . . . . 71 G CA . 50588 1 656 . 1 . 1 71 71 GLY N N 15 112.178 . . . . . . . . 71 G N . 50588 1 657 . 1 . 1 72 72 GLU H H 1 8.124 . . . . . . . . 72 E HN . 50588 1 658 . 1 . 1 72 72 GLU HA H 1 4.608 . . . . . . . . 72 E HA . 50588 1 659 . 1 . 1 72 72 GLU HB2 H 1 1.775 . . . . . . . . 72 E HB1 . 50588 1 660 . 1 . 1 72 72 GLU HB3 H 1 1.997 . . . . . . . . 72 E HB2 . 50588 1 661 . 1 . 1 72 72 GLU HG2 H 1 2.188 . . . . . . . . 72 E HG1 . 50588 1 662 . 1 . 1 72 72 GLU HG3 H 1 2.188 . . . . . . . . 72 E HG2 . 50588 1 663 . 1 . 1 72 72 GLU C C 13 175.668 . . . . . . . . 72 E C . 50588 1 664 . 1 . 1 72 72 GLU CA C 13 54.233 . . . . . . . . 72 E CA . 50588 1 665 . 1 . 1 72 72 GLU CB C 13 32.824 . . . . . . . . 72 E CB . 50588 1 666 . 1 . 1 72 72 GLU CG C 13 35.880 . . . . . . . . 72 E CG . 50588 1 667 . 1 . 1 72 72 GLU N N 15 117.870 . . . . . . . . 72 E N . 50588 1 668 . 1 . 1 73 73 HIS H H 1 8.597 . . . . . . . . 73 H HN . 50588 1 669 . 1 . 1 73 73 HIS HA H 1 4.865 . . . . . . . . 73 H HA . 50588 1 670 . 1 . 1 73 73 HIS HB2 H 1 1.885 . . . . . . . . 73 H HB1 . 50588 1 671 . 1 . 1 73 73 HIS HB3 H 1 2.706 . . . . . . . . 73 H HB2 . 50588 1 672 . 1 . 1 73 73 HIS C C 13 176.431 . . . . . . . . 73 H C . 50588 1 673 . 1 . 1 73 73 HIS CA C 13 55.931 . . . . . . . . 73 H CA . 50588 1 674 . 1 . 1 73 73 HIS CB C 13 30.347 . . . . . . . . 73 H CB . 50588 1 675 . 1 . 1 73 73 HIS N N 15 120.691 . . . . . . . . 73 H N . 50588 1 676 . 1 . 1 74 74 ASP H H 1 8.684 . . . . . . . . 74 D HN . 50588 1 677 . 1 . 1 74 74 ASP CA C 13 52.118 . . . . . . . . 74 D CA . 50588 1 678 . 1 . 1 74 74 ASP CB C 13 38.771 . . . . . . . . 74 D CB . 50588 1 679 . 1 . 1 74 74 ASP N N 15 125.423 . . . . . . . . 74 D N . 50588 1 680 . 1 . 1 75 75 HIS H H 1 6.748 . . . . . . . . 75 H HN . 50588 1 681 . 1 . 1 75 75 HIS CA C 13 52.202 . . . . . . . . 75 H CA . 50588 1 682 . 1 . 1 75 75 HIS CB C 13 28.517 . . . . . . . . 75 H CB . 50588 1 683 . 1 . 1 75 75 HIS N N 15 113.762 . . . . . . . . 75 H N . 50588 1 684 . 1 . 1 76 76 PRO CA C 13 62.064 . . . . . . . . 76 P CA . 50588 1 685 . 1 . 1 76 76 PRO CB C 13 32.809 . . . . . . . . 76 P CB . 50588 1 686 . 1 . 1 77 77 LYS H H 1 8.686 . . . . . . . . 77 K HN . 50588 1 687 . 1 . 1 77 77 LYS HA H 1 3.844 . . . . . . . . 77 K HA . 50588 1 688 . 1 . 1 77 77 LYS HB2 H 1 1.439 . . . . . . . . 77 K HB1 . 50588 1 689 . 1 . 1 77 77 LYS HB3 H 1 1.525 . . . . . . . . 77 K HB2 . 50588 1 690 . 1 . 1 77 77 LYS HG2 H 1 0.740 . . . . . . . . 77 K HG1 . 50588 1 691 . 1 . 1 77 77 LYS HG3 H 1 0.799 . . . . . . . . 77 K HG2 . 50588 1 692 . 1 . 1 77 77 LYS HD2 H 1 1.956 . . . . . . . . 77 K HD1 . 50588 1 693 . 1 . 1 77 77 LYS HD3 H 1 1.956 . . . . . . . . 77 K HD2 . 50588 1 694 . 1 . 1 77 77 LYS HE2 H 1 2.841 . . . . . . . . 77 K HE1 . 50588 1 695 . 1 . 1 77 77 LYS HE3 H 1 2.841 . . . . . . . . 77 K HE2 . 50588 1 696 . 1 . 1 77 77 LYS CA C 13 55.897 . . . . . . . . 77 K CA . 50588 1 697 . 1 . 1 77 77 LYS CB C 13 32.221 . . . . . . . . 77 K CB . 50588 1 698 . 1 . 1 77 77 LYS CG C 13 24.707 . . . . . . . . 77 K CG . 50588 1 699 . 1 . 1 77 77 LYS CD C 13 27.384 . . . . . . . . 77 K CD . 50588 1 700 . 1 . 1 77 77 LYS CE C 13 41.999 . . . . . . . . 77 K CE . 50588 1 701 . 1 . 1 77 77 LYS N N 15 126.462 . . . . . . . . 77 K N . 50588 1 702 . 1 . 1 78 78 PRO HA H 1 4.356 . . . . . . . . 78 P HA . 50588 1 703 . 1 . 1 78 78 PRO HB2 H 1 1.858 . . . . . . . . 78 P HB1 . 50588 1 704 . 1 . 1 78 78 PRO HB3 H 1 2.251 . . . . . . . . 78 P HB2 . 50588 1 705 . 1 . 1 78 78 PRO HG2 H 1 2.022 . . . . . . . . 78 P HG1 . 50588 1 706 . 1 . 1 78 78 PRO HG3 H 1 1.958 . . . . . . . . 78 P HG2 . 50588 1 707 . 1 . 1 78 78 PRO HD2 H 1 3.677 . . . . . . . . 78 P HD1 . 50588 1 708 . 1 . 1 78 78 PRO HD3 H 1 3.827 . . . . . . . . 78 P HD2 . 50588 1 709 . 1 . 1 78 78 PRO C C 13 176.103 . . . . . . . . 78 P C . 50588 1 710 . 1 . 1 78 78 PRO CA C 13 63.011 . . . . . . . . 78 P CA . 50588 1 711 . 1 . 1 78 78 PRO CB C 13 32.026 . . . . . . . . 78 P CB . 50588 1 712 . 1 . 1 78 78 PRO CG C 13 27.435 . . . . . . . . 78 P CG . 50588 1 713 . 1 . 1 78 78 PRO CD C 13 51.144 . . . . . . . . 78 P CD . 50588 1 714 . 1 . 1 79 79 LEU H H 1 8.099 . . . . . . . . 79 L HN . 50588 1 715 . 1 . 1 79 79 LEU HA H 1 4.343 . . . . . . . . 79 L HA . 50588 1 716 . 1 . 1 79 79 LEU HB2 H 1 1.561 . . . . . . . . 79 L HB1 . 50588 1 717 . 1 . 1 79 79 LEU HB3 H 1 1.519 . . . . . . . . 79 L HB2 . 50588 1 718 . 1 . 1 79 79 LEU HG H 1 1.567 . . . . . . . . 79 L HG . 50588 1 719 . 1 . 1 79 79 LEU HD11 H 1 0.904 . . . . . . . . 79 L HD11 . 50588 1 720 . 1 . 1 79 79 LEU HD12 H 1 0.904 . . . . . . . . 79 L HD11 . 50588 1 721 . 1 . 1 79 79 LEU HD13 H 1 0.904 . . . . . . . . 79 L HD11 . 50588 1 722 . 1 . 1 79 79 LEU HD21 H 1 0.849 . . . . . . . . 79 L HD21 . 50588 1 723 . 1 . 1 79 79 LEU HD22 H 1 0.849 . . . . . . . . 79 L HD21 . 50588 1 724 . 1 . 1 79 79 LEU HD23 H 1 0.849 . . . . . . . . 79 L HD21 . 50588 1 725 . 1 . 1 79 79 LEU CA C 13 55.005 . . . . . . . . 79 L CA . 50588 1 726 . 1 . 1 79 79 LEU CB C 13 42.404 . . . . . . . . 79 L CB . 50588 1 727 . 1 . 1 79 79 LEU CG C 13 27.001 . . . . . . . . 79 L CG . 50588 1 728 . 1 . 1 79 79 LEU CD1 C 13 24.819 . . . . . . . . 79 L CD1 . 50588 1 729 . 1 . 1 79 79 LEU CD2 C 13 23.617 . . . . . . . . 79 L CD2 . 50588 1 730 . 1 . 1 79 79 LEU N N 15 122.821 . . . . . . . . 79 L N . 50588 1 stop_ save_