data_50579 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50579 _Entry.Title ; 1H, 13C, and 15N resonance assignments of WRKY33-C(V352-A422) from Arabidopsis thaliana ; _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 . . . . 50579 2 Yunfei Hu . . . . 50579 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50579 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 273 50579 '15N chemical shifts' 65 50579 '1H chemical shifts' 428 50579 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 . 50579 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50580 WRKY33-C(D331-A422) 50579 BMRB 50581 'combined WRKY33-C' 50579 BMRB 50582 SIB1 50579 BMRB 50583 'Combined SIB1' 50579 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50579 _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. . . . 50579 1 2 Lulu Yu L. . . . 50579 1 3 Qiang Zhang Q. . . . 50579 1 4 Ju Yang J. . . . 50579 1 5 Zhou Gong Z. . . . 50579 1 6 Xiaogang Niu X. . . . 50579 1 7 Hongwei Li H. . . . 50579 1 8 Xu Zhang X. . . . 50579 1 9 Maili Liu M. . . . 50579 1 10 Changwen Jin C. . . . 50579 1 11 Yunfei Hu Y. . . . 50579 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50579 _Assembly.ID 1 _Assembly.Name WRKY33-C(352-422) _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 WRKY33-C(352-422) 1 $entity_1 . . yes native no no . . . 50579 1 2 'ZINC ION' 2 $entity_ZN . . no native no no . . . 50579 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50579 _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 ; MVQTTSDIDILDDGYRWRKY GQKVVKGNPNPRSYYKCTTI GCPVRKHVERASHDMRAVIT TYEGKHNHDVPA ; _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 72 _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 . 50579 1 2 . VAL . 50579 1 3 . GLN . 50579 1 4 . THR . 50579 1 5 . THR . 50579 1 6 . SER . 50579 1 7 . ASP . 50579 1 8 . ILE . 50579 1 9 . ASP . 50579 1 10 . ILE . 50579 1 11 . LEU . 50579 1 12 . ASP . 50579 1 13 . ASP . 50579 1 14 . GLY . 50579 1 15 . TYR . 50579 1 16 . ARG . 50579 1 17 . TRP . 50579 1 18 . ARG . 50579 1 19 . LYS . 50579 1 20 . TYR . 50579 1 21 . GLY . 50579 1 22 . GLN . 50579 1 23 . LYS . 50579 1 24 . VAL . 50579 1 25 . VAL . 50579 1 26 . LYS . 50579 1 27 . GLY . 50579 1 28 . ASN . 50579 1 29 . PRO . 50579 1 30 . ASN . 50579 1 31 . PRO . 50579 1 32 . ARG . 50579 1 33 . SER . 50579 1 34 . TYR . 50579 1 35 . TYR . 50579 1 36 . LYS . 50579 1 37 . CYS . 50579 1 38 . THR . 50579 1 39 . THR . 50579 1 40 . ILE . 50579 1 41 . GLY . 50579 1 42 . CYS . 50579 1 43 . PRO . 50579 1 44 . VAL . 50579 1 45 . ARG . 50579 1 46 . LYS . 50579 1 47 . HIS . 50579 1 48 . VAL . 50579 1 49 . GLU . 50579 1 50 . ARG . 50579 1 51 . ALA . 50579 1 52 . SER . 50579 1 53 . HIS . 50579 1 54 . ASP . 50579 1 55 . MET . 50579 1 56 . ARG . 50579 1 57 . ALA . 50579 1 58 . VAL . 50579 1 59 . ILE . 50579 1 60 . THR . 50579 1 61 . THR . 50579 1 62 . TYR . 50579 1 63 . GLU . 50579 1 64 . GLY . 50579 1 65 . LYS . 50579 1 66 . HIS . 50579 1 67 . ASN . 50579 1 68 . HIS . 50579 1 69 . ASP . 50579 1 70 . VAL . 50579 1 71 . PRO . 50579 1 72 . ALA . 50579 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 50579 1 . VAL 2 2 50579 1 . GLN 3 3 50579 1 . THR 4 4 50579 1 . THR 5 5 50579 1 . SER 6 6 50579 1 . ASP 7 7 50579 1 . ILE 8 8 50579 1 . ASP 9 9 50579 1 . ILE 10 10 50579 1 . LEU 11 11 50579 1 . ASP 12 12 50579 1 . ASP 13 13 50579 1 . GLY 14 14 50579 1 . TYR 15 15 50579 1 . ARG 16 16 50579 1 . TRP 17 17 50579 1 . ARG 18 18 50579 1 . LYS 19 19 50579 1 . TYR 20 20 50579 1 . GLY 21 21 50579 1 . GLN 22 22 50579 1 . LYS 23 23 50579 1 . VAL 24 24 50579 1 . VAL 25 25 50579 1 . LYS 26 26 50579 1 . GLY 27 27 50579 1 . ASN 28 28 50579 1 . PRO 29 29 50579 1 . ASN 30 30 50579 1 . PRO 31 31 50579 1 . ARG 32 32 50579 1 . SER 33 33 50579 1 . TYR 34 34 50579 1 . TYR 35 35 50579 1 . LYS 36 36 50579 1 . CYS 37 37 50579 1 . THR 38 38 50579 1 . THR 39 39 50579 1 . ILE 40 40 50579 1 . GLY 41 41 50579 1 . CYS 42 42 50579 1 . PRO 43 43 50579 1 . VAL 44 44 50579 1 . ARG 45 45 50579 1 . LYS 46 46 50579 1 . HIS 47 47 50579 1 . VAL 48 48 50579 1 . GLU 49 49 50579 1 . ARG 50 50 50579 1 . ALA 51 51 50579 1 . SER 52 52 50579 1 . HIS 53 53 50579 1 . ASP 54 54 50579 1 . MET 55 55 50579 1 . ARG 56 56 50579 1 . ALA 57 57 50579 1 . VAL 58 58 50579 1 . ILE 59 59 50579 1 . THR 60 60 50579 1 . THR 61 61 50579 1 . TYR 62 62 50579 1 . GLU 63 63 50579 1 . GLY 64 64 50579 1 . LYS 65 65 50579 1 . HIS 66 66 50579 1 . ASN 67 67 50579 1 . HIS 68 68 50579 1 . ASP 69 69 50579 1 . VAL 70 70 50579 1 . PRO 71 71 50579 1 . ALA 72 72 50579 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 50579 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 50579 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 50579 2 ZN 'Three letter code' 50579 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 50579 2 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 50579 _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 . . . . . . . . . . . . . 50579 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 50579 _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 . . . 50579 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 50579 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 50579 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 50579 ZN [Zn++] SMILES CACTVS 3.341 50579 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 50579 ZN [Zn+2] SMILES ACDLabs 10.04 50579 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 50579 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 50579 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 50579 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 50579 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 50579 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50579 _Sample.ID 1 _Sample.Name WRKY33-C(V352-A422) _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 WRKY33-C(352-422) '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50579 1 2 MES 'natural abundance' . . . . . . 30 . . mM . . . . 50579 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50579 1 4 D2O '[U-99% 2H]' . . . . . . 10 . . '% v/v' . . . . 50579 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 50579 _Sample_condition_list.ID 1 _Sample_condition_list.Name wrky33_condition _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 50579 1 pH 6.0 . pH 50579 1 pressure 1 . atm 50579 1 temperature 298 . K 50579 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50579 _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 . 50579 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50579 _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' . 50579 2 'data analysis' . 50579 2 processing . 50579 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 50579 _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 50579 _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 . . . . . . . . . . . . . . . . . 50579 1 2 '3D HNCA' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50579 1 3 '3D CBCA(CO)NH' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50579 1 4 '3D HNCACB' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50579 1 5 '3D HNCA' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50579 1 6 '3D HNCO' yes . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50579 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' wk33_hsqc.nv . 'NMR experiment directory' . . 50579 1 2 '3D HNCA' hnca.nv . 'NMR experiment directory' . . 50579 1 3 '3D CBCA(CO)NH' cbcaconh.nv . 'NMR experiment directory' . . 50579 1 4 '3D HNCACB' hncacb.nv . 'NMR experiment directory' . . 50579 1 6 '3D HNCO' hnco.nv . 'NMR experiment directory' . . 50579 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 50579 _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 . . . . . 50579 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50579 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50579 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 50579 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name WRKY33-C(v352-a422) _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' . . . 50579 1 3 '3D CBCA(CO)NH' . . . 50579 1 4 '3D HNCACB' . . . 50579 1 5 '3D HNCA' . . . 50579 1 6 '3D HNCO' . . . 50579 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 . . 50579 1 2 $software_2 . . 50579 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 VAL HA H 1 4.092 0.02 . 1 . . . . . 2 V HA . 50579 1 2 . 1 . 1 2 2 VAL HB H 1 2.053 0.02 . 1 . . . . . 2 V HB . 50579 1 3 . 1 . 1 2 2 VAL HG21 H 1 0.949 0.02 . 2 . . . . . 2 V HG21 . 50579 1 4 . 1 . 1 2 2 VAL HG22 H 1 0.949 0.02 . 2 . . . . . 2 V HG21 . 50579 1 5 . 1 . 1 2 2 VAL HG23 H 1 0.949 0.02 . 2 . . . . . 2 V HG21 . 50579 1 6 . 1 . 1 2 2 VAL C C 13 176.175 0.3 . 1 . . . . . 2 V C . 50579 1 7 . 1 . 1 2 2 VAL CA C 13 62.382 0.3 . 1 . . . . . 2 V CA . 50579 1 8 . 1 . 1 2 2 VAL CB C 13 32.721 0.3 . 1 . . . . . 2 V CB . 50579 1 9 . 1 . 1 2 2 VAL CG2 C 13 20.899 0.3 . 1 . . . . . 2 V CG2 . 50579 1 10 . 1 . 1 3 3 GLN H H 1 8.559 0.02 . 1 . . . . . 3 Q HN . 50579 1 11 . 1 . 1 3 3 GLN HA H 1 4.558 0.02 . 1 . . . . . 3 Q HA . 50579 1 12 . 1 . 1 3 3 GLN HB2 H 1 2.13 0.02 . 2 . . . . . 3 Q HB1 . 50579 1 13 . 1 . 1 3 3 GLN HB3 H 1 2.01 0.02 . 2 . . . . . 3 Q HB2 . 50579 1 14 . 1 . 1 3 3 GLN HG2 H 1 2.384 0.02 . 2 . . . . . 3 Q HG1 . 50579 1 15 . 1 . 1 3 3 GLN HG3 H 1 2.384 0.02 . 2 . . . . . 3 Q HG2 . 50579 1 16 . 1 . 1 3 3 GLN C C 13 175.691 0.3 . 1 . . . . . 3 Q C . 50579 1 17 . 1 . 1 3 3 GLN CA C 13 55.79 0.3 . 1 . . . . . 3 Q CA . 50579 1 18 . 1 . 1 3 3 GLN CB C 13 29.63 0.3 . 1 . . . . . 3 Q CB . 50579 1 19 . 1 . 1 3 3 GLN CG C 13 33.998 0.3 . 1 . . . . . 3 Q CG . 50579 1 20 . 1 . 1 3 3 GLN N N 15 124.22 0.3 . 1 . . . . . 3 Q N . 50579 1 21 . 1 . 1 4 4 THR H H 1 8.521 0.02 . 1 . . . . . 4 T HN . 50579 1 22 . 1 . 1 4 4 THR HA H 1 4.464 0.02 . 1 . . . . . 4 T HA . 50579 1 23 . 1 . 1 4 4 THR HB H 1 4.281 0.02 . 1 . . . . . 4 T HB . 50579 1 24 . 1 . 1 4 4 THR HG21 H 1 1.219 0.02 . 1 . . . . . 4 T HG21 . 50579 1 25 . 1 . 1 4 4 THR HG22 H 1 1.219 0.02 . 1 . . . . . 4 T HG21 . 50579 1 26 . 1 . 1 4 4 THR HG23 H 1 1.219 0.02 . 1 . . . . . 4 T HG21 . 50579 1 27 . 1 . 1 4 4 THR C C 13 174.578 0.3 . 1 . . . . . 4 T C . 50579 1 28 . 1 . 1 4 4 THR CA C 13 61.8 0.3 . 1 . . . . . 4 T CA . 50579 1 29 . 1 . 1 4 4 THR CB C 13 70.17 0.3 . 1 . . . . . 4 T CB . 50579 1 30 . 1 . 1 4 4 THR CG2 C 13 21.661 0.3 . 1 . . . . . 4 T CG2 . 50579 1 31 . 1 . 1 4 4 THR N N 15 117.18 0.3 . 1 . . . . . 4 T N . 50579 1 32 . 1 . 1 5 5 THR H H 1 8.286 0.02 . 1 . . . . . 5 T HN . 50579 1 33 . 1 . 1 5 5 THR HA H 1 4.483 0.02 . 1 . . . . . 5 T HA . 50579 1 34 . 1 . 1 5 5 THR HB H 1 4.274 0.02 . 1 . . . . . 5 T HB . 50579 1 35 . 1 . 1 5 5 THR HG21 H 1 1.216 0.02 . 1 . . . . . 5 T HG21 . 50579 1 36 . 1 . 1 5 5 THR HG22 H 1 1.216 0.02 . 1 . . . . . 5 T HG21 . 50579 1 37 . 1 . 1 5 5 THR HG23 H 1 1.216 0.02 . 1 . . . . . 5 T HG21 . 50579 1 38 . 1 . 1 5 5 THR C C 13 174.384 0.3 . 1 . . . . . 5 T C . 50579 1 39 . 1 . 1 5 5 THR CA C 13 62.17 0.3 . 1 . . . . . 5 T CA . 50579 1 40 . 1 . 1 5 5 THR CB C 13 69.92 0.3 . 1 . . . . . 5 T CB . 50579 1 41 . 1 . 1 5 5 THR CG2 C 13 21.781 0.3 . 1 . . . . . 5 T CG2 . 50579 1 42 . 1 . 1 5 5 THR N N 15 116.09 0.3 . 1 . . . . . 5 T N . 50579 1 43 . 1 . 1 6 6 SER H H 1 8.425 0.02 . 1 . . . . . 6 S HN . 50579 1 44 . 1 . 1 6 6 SER HA H 1 4.525 0.02 . 1 . . . . . 6 S HA . 50579 1 45 . 1 . 1 6 6 SER HB2 H 1 3.856 0.02 . 2 . . . . . 6 S HB1 . 50579 1 46 . 1 . 1 6 6 SER HB3 H 1 3.891 0.02 . 2 . . . . . 6 S HB2 . 50579 1 47 . 1 . 1 6 6 SER C C 13 176.32 0.3 . 1 . . . . . 6 S C . 50579 1 48 . 1 . 1 6 6 SER CA C 13 58.323 0.3 . 1 . . . . . 6 S CA . 50579 1 49 . 1 . 1 6 6 SER CB C 13 64.14 0.3 . 1 . . . . . 6 S CB . 50579 1 50 . 1 . 1 6 6 SER N N 15 118 0.3 . 1 . . . . . 6 S N . 50579 1 51 . 1 . 1 7 7 ASP H H 1 8.408 0.02 . 1 . . . . . 7 D HN . 50579 1 52 . 1 . 1 7 7 ASP HA H 1 4.607 0.02 . 1 . . . . . 7 D HA . 50579 1 53 . 1 . 1 7 7 ASP HB2 H 1 2.605 0.02 . 2 . . . . . 7 D HB1 . 50579 1 54 . 1 . 1 7 7 ASP HB3 H 1 2.723 0.02 . 2 . . . . . 7 D HB2 . 50579 1 55 . 1 . 1 7 7 ASP C C 13 176.126 0.3 . 1 . . . . . 7 D C . 50579 1 56 . 1 . 1 7 7 ASP CA C 13 54.7 0.3 . 1 . . . . . 7 D CA . 50579 1 57 . 1 . 1 7 7 ASP CB C 13 41.24 0.3 . 1 . . . . . 7 D CB . 50579 1 58 . 1 . 1 7 7 ASP N N 15 122.35 0.3 . 1 . . . . . 7 D N . 50579 1 59 . 1 . 1 8 8 ILE H H 1 7.983 0.02 . 1 . . . . . 8 I HN . 50579 1 60 . 1 . 1 8 8 ILE HA H 1 4.133 0.02 . 1 . . . . . 8 I HA . 50579 1 61 . 1 . 1 8 8 ILE HB H 1 1.806 0.02 . 1 . . . . . 8 I HB . 50579 1 62 . 1 . 1 8 8 ILE HG12 H 1 1.438 0.02 . 1 . . . . . 8 I HG11 . 50579 1 63 . 1 . 1 8 8 ILE HG13 H 1 1.438 0.02 . 1 . . . . . 8 I HG12 . 50579 1 64 . 1 . 1 8 8 ILE HG21 H 1 1.096 0.02 . 1 . . . . . 8 I HG21 . 50579 1 65 . 1 . 1 8 8 ILE HG22 H 1 1.096 0.02 . 1 . . . . . 8 I HG21 . 50579 1 66 . 1 . 1 8 8 ILE HG23 H 1 1.096 0.02 . 1 . . . . . 8 I HG21 . 50579 1 67 . 1 . 1 8 8 ILE HD11 H 1 0.814 0.02 . 1 . . . . . 8 I HD11 . 50579 1 68 . 1 . 1 8 8 ILE HD12 H 1 0.814 0.02 . 1 . . . . . 8 I HD11 . 50579 1 69 . 1 . 1 8 8 ILE HD13 H 1 0.814 0.02 . 1 . . . . . 8 I HD11 . 50579 1 70 . 1 . 1 8 8 ILE C C 13 175.691 0.3 . 1 . . . . . 8 I C . 50579 1 71 . 1 . 1 8 8 ILE CA C 13 61.55 0.3 . 1 . . . . . 8 I CA . 50579 1 72 . 1 . 1 8 8 ILE CB C 13 39.27 0.3 . 1 . . . . . 8 I CB . 50579 1 73 . 1 . 1 8 8 ILE CG1 C 13 27.051 0.3 . 1 . . . . . 8 I CG1 . 50579 1 74 . 1 . 1 8 8 ILE CG2 C 13 17.829 0.3 . 1 . . . . . 8 I CG2 . 50579 1 75 . 1 . 1 8 8 ILE CD1 C 13 13.213 0.3 . 1 . . . . . 8 I CD1 . 50579 1 76 . 1 . 1 8 8 ILE N N 15 119.25 0.3 . 1 . . . . . 8 I N . 50579 1 77 . 1 . 1 9 9 ASP H H 1 8.312 0.02 . 1 . . . . . 9 D HN . 50579 1 78 . 1 . 1 9 9 ASP HA H 1 4.629 0.02 . 1 . . . . . 9 D HA . 50579 1 79 . 1 . 1 9 9 ASP HB2 H 1 2.591 0.02 . 2 . . . . . 9 D HB1 . 50579 1 80 . 1 . 1 9 9 ASP HB3 H 1 2.665 0.02 . 2 . . . . . 9 D HB2 . 50579 1 81 . 1 . 1 9 9 ASP C C 13 175.981 0.3 . 1 . . . . . 9 D C . 50579 1 82 . 1 . 1 9 9 ASP CA C 13 54.65 0.3 . 1 . . . . . 9 D CA . 50579 1 83 . 1 . 1 9 9 ASP CB C 13 41.11 0.3 . 1 . . . . . 9 D CB . 50579 1 84 . 1 . 1 9 9 ASP N N 15 123.73 0.3 . 1 . . . . . 9 D N . 50579 1 85 . 1 . 1 10 10 ILE H H 1 7.888 0.02 . 1 . . . . . 10 I HN . 50579 1 86 . 1 . 1 10 10 ILE HA H 1 4.115 0.02 . 1 . . . . . 10 I HA . 50579 1 87 . 1 . 1 10 10 ILE HB H 1 1.789 0.02 . 1 . . . . . 10 I HB . 50579 1 88 . 1 . 1 10 10 ILE HG12 H 1 1.339 0.02 . 1 . . . . . 10 I HG11 . 50579 1 89 . 1 . 1 10 10 ILE HG13 H 1 1.339 0.02 . 1 . . . . . 10 I HG12 . 50579 1 90 . 1 . 1 10 10 ILE HG21 H 1 1.078 0.02 . 1 . . . . . 10 I HG21 . 50579 1 91 . 1 . 1 10 10 ILE HG22 H 1 1.078 0.02 . 1 . . . . . 10 I HG21 . 50579 1 92 . 1 . 1 10 10 ILE HG23 H 1 1.078 0.02 . 1 . . . . . 10 I HG21 . 50579 1 93 . 1 . 1 10 10 ILE HD11 H 1 0.823 0.02 . 1 . . . . . 10 I HD11 . 50579 1 94 . 1 . 1 10 10 ILE HD12 H 1 0.823 0.02 . 1 . . . . . 10 I HD11 . 50579 1 95 . 1 . 1 10 10 ILE HD13 H 1 0.823 0.02 . 1 . . . . . 10 I HD11 . 50579 1 96 . 1 . 1 10 10 ILE C C 13 175.933 0.3 . 1 . . . . . 10 I C . 50579 1 97 . 1 . 1 10 10 ILE CA C 13 61.31 0.3 . 1 . . . . . 10 I CA . 50579 1 98 . 1 . 1 10 10 ILE CB C 13 38.9 0.3 . 1 . . . . . 10 I CB . 50579 1 99 . 1 . 1 10 10 ILE CG1 C 13 27.051 0.3 . 1 . . . . . 10 I CG1 . 50579 1 100 . 1 . 1 10 10 ILE CG2 C 13 17.72 0.3 . 1 . . . . . 10 I CG2 . 50579 1 101 . 1 . 1 10 10 ILE CD1 C 13 13.298 0.3 . 1 . . . . . 10 I CD1 . 50579 1 102 . 1 . 1 10 10 ILE N N 15 119.62 0.3 . 1 . . . . . 10 I N . 50579 1 103 . 1 . 1 11 11 LEU H H 1 8.12 0.02 . 1 . . . . . 11 L HN . 50579 1 104 . 1 . 1 11 11 LEU HA H 1 4.361 0.02 . 1 . . . . . 11 L HA . 50579 1 105 . 1 . 1 11 11 LEU HB2 H 1 1.513 0.02 . 2 . . . . . 11 L HB1 . 50579 1 106 . 1 . 1 11 11 LEU HB3 H 1 1.618 0.02 . 2 . . . . . 11 L HB2 . 50579 1 107 . 1 . 1 11 11 LEU HG H 1 1.337 0.02 . 1 . . . . . 11 L HG . 50579 1 108 . 1 . 1 11 11 LEU HD11 H 1 0.828 0.02 . 2 . . . . . 11 L HD11 . 50579 1 109 . 1 . 1 11 11 LEU HD12 H 1 0.828 0.02 . 2 . . . . . 11 L HD11 . 50579 1 110 . 1 . 1 11 11 LEU HD13 H 1 0.828 0.02 . 2 . . . . . 11 L HD11 . 50579 1 111 . 1 . 1 11 11 LEU HD21 H 1 0.871 0.02 . 2 . . . . . 11 L HD21 . 50579 1 112 . 1 . 1 11 11 LEU HD22 H 1 0.871 0.02 . 2 . . . . . 11 L HD21 . 50579 1 113 . 1 . 1 11 11 LEU HD23 H 1 0.871 0.02 . 2 . . . . . 11 L HD21 . 50579 1 114 . 1 . 1 11 11 LEU C C 13 174.19 0.3 . 1 . . . . . 11 L C . 50579 1 115 . 1 . 1 11 11 LEU CA C 13 55.03 0.3 . 1 . . . . . 11 L CA . 50579 1 116 . 1 . 1 11 11 LEU CB C 13 42.1 0.3 . 1 . . . . . 11 L CB . 50579 1 117 . 1 . 1 11 11 LEU CG C 13 24.734 0.3 . 1 . . . . . 11 L CG . 50579 1 118 . 1 . 1 11 11 LEU CD1 C 13 23.31 0.3 . 2 . . . . . 11 L CD1 . 50579 1 119 . 1 . 1 11 11 LEU CD2 C 13 24.536 0.3 . 2 . . . . . 11 L CD2 . 50579 1 120 . 1 . 1 11 11 LEU N N 15 124.81 0.3 . 1 . . . . . 11 L N . 50579 1 121 . 1 . 1 12 12 ASP H H 1 8.415 0.02 . 1 . . . . . 12 D HN . 50579 1 122 . 1 . 1 12 12 ASP HA H 1 4.621 0.02 . 1 . . . . . 12 D HA . 50579 1 123 . 1 . 1 12 12 ASP HB2 H 1 2.811 0.02 . 2 . . . . . 12 D HB1 . 50579 1 124 . 1 . 1 12 12 ASP HB3 H 1 2.718 0.02 . 2 . . . . . 12 D HB2 . 50579 1 125 . 1 . 1 12 12 ASP CA C 13 54.592 0.3 . 1 . . . . . 12 D CA . 50579 1 126 . 1 . 1 12 12 ASP CB C 13 41.546 0.3 . 1 . . . . . 12 D CB . 50579 1 127 . 1 . 1 12 12 ASP N N 15 122.75 0.3 . 1 . . . . . 12 D N . 50579 1 128 . 1 . 1 13 13 ASP H H 1 8.563 0.02 . 1 . . . . . 13 D HN . 50579 1 129 . 1 . 1 13 13 ASP HA H 1 4.734 0.02 . 1 . . . . . 13 D HA . 50579 1 130 . 1 . 1 13 13 ASP HB2 H 1 2.606 0.02 . 2 . . . . . 13 D HB1 . 50579 1 131 . 1 . 1 13 13 ASP HB3 H 1 2.692 0.02 . 2 . . . . . 13 D HB2 . 50579 1 132 . 1 . 1 13 13 ASP C C 13 176.175 0.3 . 1 . . . . . 13 D C . 50579 1 133 . 1 . 1 13 13 ASP CA C 13 52.991 0.3 . 1 . . . . . 13 D CA . 50579 1 134 . 1 . 1 13 13 ASP CB C 13 41.298 0.3 . 1 . . . . . 13 D CB . 50579 1 135 . 1 . 1 13 13 ASP N N 15 124.46 0.3 . 1 . . . . . 13 D N . 50579 1 136 . 1 . 1 14 14 GLY H H 1 8.529 0.02 . 1 . . . . . 14 G HN . 50579 1 137 . 1 . 1 14 14 GLY HA2 H 1 3.504 0.02 . 2 . . . . . 14 G HA1 . 50579 1 138 . 1 . 1 14 14 GLY HA3 H 1 4.017 0.02 . 2 . . . . . 14 G HA2 . 50579 1 139 . 1 . 1 14 14 GLY C C 13 173.416 0.3 . 1 . . . . . 14 G C . 50579 1 140 . 1 . 1 14 14 GLY CA C 13 45.3 0.3 . 1 . . . . . 14 G CA . 50579 1 141 . 1 . 1 14 14 GLY N N 15 108.17 0.3 . 1 . . . . . 14 G N . 50579 1 142 . 1 . 1 15 15 TYR H H 1 8.074 0.02 . 1 . . . . . 15 Y HN . 50579 1 143 . 1 . 1 15 15 TYR HA H 1 4.371 0.02 . 1 . . . . . 15 Y HA . 50579 1 144 . 1 . 1 15 15 TYR HB2 H 1 2.847 0.02 . 2 . . . . . 15 Y HB1 . 50579 1 145 . 1 . 1 15 15 TYR HB3 H 1 2.383 0.02 . 2 . . . . . 15 Y HB2 . 50579 1 146 . 1 . 1 15 15 TYR C C 13 173.978 0.3 . 1 . . . . . 15 Y C . 50579 1 147 . 1 . 1 15 15 TYR CA C 13 57.7 0.3 . 1 . . . . . 15 Y CA . 50579 1 148 . 1 . 1 15 15 TYR CB C 13 39.929 0.3 . 1 . . . . . 15 Y CB . 50579 1 149 . 1 . 1 15 15 TYR N N 15 117.96 0.3 . 1 . . . . . 15 Y N . 50579 1 150 . 1 . 1 16 16 ARG H H 1 8.841 0.02 . 1 . . . . . 16 R HN . 50579 1 151 . 1 . 1 16 16 ARG HA H 1 4.757 0.02 . 1 . . . . . 16 R HA . 50579 1 152 . 1 . 1 16 16 ARG HB2 H 1 1.652 0.02 . 2 . . . . . 16 R HB1 . 50579 1 153 . 1 . 1 16 16 ARG HB3 H 1 1.652 0.02 . 2 . . . . . 16 R HB2 . 50579 1 154 . 1 . 1 16 16 ARG HG2 H 1 1.511 0.02 . 2 . . . . . 16 R HG1 . 50579 1 155 . 1 . 1 16 16 ARG HG3 H 1 1.511 0.02 . 2 . . . . . 16 R HG2 . 50579 1 156 . 1 . 1 16 16 ARG HD2 H 1 3.096 0.02 . 2 . . . . . 16 R HD1 . 50579 1 157 . 1 . 1 16 16 ARG HD3 H 1 3.158 0.02 . 2 . . . . . 16 R HD2 . 50579 1 158 . 1 . 1 16 16 ARG C C 13 174.771 0.3 . 1 . . . . . 16 R C . 50579 1 159 . 1 . 1 16 16 ARG CA C 13 54.91 0.3 . 1 . . . . . 16 R CA . 50579 1 160 . 1 . 1 16 16 ARG CB C 13 31.9 0.3 . 1 . . . . . 16 R CB . 50579 1 161 . 1 . 1 16 16 ARG CG C 13 27.768 0.3 . 1 . . . . . 16 R CG . 50579 1 162 . 1 . 1 16 16 ARG CD C 13 43.34 0.3 . 1 . . . . . 16 R CD . 50579 1 163 . 1 . 1 16 16 ARG N N 15 120.92 0.3 . 1 . . . . . 16 R N . 50579 1 164 . 1 . 1 17 17 TRP H H 1 8.27 0.02 . 1 . . . . . 17 W HN . 50579 1 165 . 1 . 1 17 17 TRP HA H 1 5.504 0.02 . 1 . . . . . 17 W HA . 50579 1 166 . 1 . 1 17 17 TRP HB2 H 1 2.883 0.02 . 2 . . . . . 17 W HB1 . 50579 1 167 . 1 . 1 17 17 TRP HB3 H 1 3.299 0.02 . 2 . . . . . 17 W HB2 . 50579 1 168 . 1 . 1 17 17 TRP C C 13 176.32 0.3 . 1 . . . . . 17 W C . 50579 1 169 . 1 . 1 17 17 TRP CA C 13 55.938 0.3 . 1 . . . . . 17 W CA . 50579 1 170 . 1 . 1 17 17 TRP CB C 13 34.59 0.3 . 1 . . . . . 17 W CB . 50579 1 171 . 1 . 1 17 17 TRP N N 15 120.12 0.3 . 1 . . . . . 17 W N . 50579 1 172 . 1 . 1 18 18 ARG H H 1 9.427 0.02 . 1 . . . . . 18 R HN . 50579 1 173 . 1 . 1 18 18 ARG HA H 1 5.045 0.02 . 1 . . . . . 18 R HA . 50579 1 174 . 1 . 1 18 18 ARG HB2 H 1 1.865 0.02 . 2 . . . . . 18 R HB1 . 50579 1 175 . 1 . 1 18 18 ARG HB3 H 1 1.865 0.02 . 2 . . . . . 18 R HB2 . 50579 1 176 . 1 . 1 18 18 ARG HG2 H 1 1.644 0.02 . 2 . . . . . 18 R HG1 . 50579 1 177 . 1 . 1 18 18 ARG HG3 H 1 1.723 0.02 . 2 . . . . . 18 R HG2 . 50579 1 178 . 1 . 1 18 18 ARG HD2 H 1 3.296 0.02 . 2 . . . . . 18 R HD1 . 50579 1 179 . 1 . 1 18 18 ARG HD3 H 1 3.296 0.02 . 2 . . . . . 18 R HD2 . 50579 1 180 . 1 . 1 18 18 ARG C C 13 175.546 0.3 . 1 . . . . . 18 R C . 50579 1 181 . 1 . 1 18 18 ARG CA C 13 54.492 0.3 . 1 . . . . . 18 R CA . 50579 1 182 . 1 . 1 18 18 ARG CB C 13 33.485 0.3 . 1 . . . . . 18 R CB . 50579 1 183 . 1 . 1 18 18 ARG CG C 13 27.313 0.3 . 1 . . . . . 18 R CG . 50579 1 184 . 1 . 1 18 18 ARG CD C 13 43.7 0.3 . 1 . . . . . 18 R CD . 50579 1 185 . 1 . 1 18 18 ARG N N 15 121.56 0.3 . 1 . . . . . 18 R N . 50579 1 186 . 1 . 1 19 19 LYS H H 1 9.32 0.02 . 1 . . . . . 19 K HN . 50579 1 187 . 1 . 1 19 19 LYS HA H 1 4.274 0.02 . 1 . . . . . 19 K HA . 50579 1 188 . 1 . 1 19 19 LYS HB2 H 1 1.624 0.02 . 2 . . . . . 19 K HB1 . 50579 1 189 . 1 . 1 19 19 LYS HB3 H 1 1.786 0.02 . 2 . . . . . 19 K HB2 . 50579 1 190 . 1 . 1 19 19 LYS HG2 H 1 1.131 0.02 . 2 . . . . . 19 K HG1 . 50579 1 191 . 1 . 1 19 19 LYS HG3 H 1 0.895 0.02 . 2 . . . . . 19 K HG2 . 50579 1 192 . 1 . 1 19 19 LYS HD2 H 1 1.512 0.02 . 2 . . . . . 19 K HD1 . 50579 1 193 . 1 . 1 19 19 LYS HD3 H 1 1.593 0.02 . 2 . . . . . 19 K HD2 . 50579 1 194 . 1 . 1 19 19 LYS HE2 H 1 2.845 0.02 . 2 . . . . . 19 K HE1 . 50579 1 195 . 1 . 1 19 19 LYS HE3 H 1 2.845 0.02 . 2 . . . . . 19 K HE2 . 50579 1 196 . 1 . 1 19 19 LYS C C 13 176.512 0.3 . 1 . . . . . 19 K C . 50579 1 197 . 1 . 1 19 19 LYS CA C 13 57.12 0.3 . 1 . . . . . 19 K CA . 50579 1 198 . 1 . 1 19 19 LYS CB C 13 33.23 0.3 . 1 . . . . . 19 K CB . 50579 1 199 . 1 . 1 19 19 LYS CG C 13 24.949 0.3 . 1 . . . . . 19 K CG . 50579 1 200 . 1 . 1 19 19 LYS CD C 13 27.536 0.3 . 1 . . . . . 19 K CD . 50579 1 201 . 1 . 1 19 19 LYS CE C 13 42.125 0.3 . 1 . . . . . 19 K CE . 50579 1 202 . 1 . 1 19 19 LYS N N 15 130.298 0.3 . 1 . . . . . 19 K N . 50579 1 203 . 1 . 1 20 20 TYR H H 1 8.887 0.02 . 1 . . . . . 20 Y HN . 50579 1 204 . 1 . 1 20 20 TYR HA H 1 5.009 0.02 . 1 . . . . . 20 Y HA . 50579 1 205 . 1 . 1 20 20 TYR HB2 H 1 3.119 0.02 . 2 . . . . . 20 Y HB1 . 50579 1 206 . 1 . 1 20 20 TYR HB3 H 1 2.678 0.02 . 2 . . . . . 20 Y HB2 . 50579 1 207 . 1 . 1 20 20 TYR C C 13 174.384 0.3 . 1 . . . . . 20 Y C . 50579 1 208 . 1 . 1 20 20 TYR CA C 13 56.73 0.3 . 1 . . . . . 20 Y CA . 50579 1 209 . 1 . 1 20 20 TYR CB C 13 40.34 0.3 . 1 . . . . . 20 Y CB . 50579 1 210 . 1 . 1 20 20 TYR N N 15 124.1 0.3 . 1 . . . . . 20 Y N . 50579 1 211 . 1 . 1 21 21 GLY H H 1 7.503 0.02 . 1 . . . . . 21 G HN . 50579 1 212 . 1 . 1 21 21 GLY HA2 H 1 3.832 0.02 . 2 . . . . . 21 G HA1 . 50579 1 213 . 1 . 1 21 21 GLY HA3 H 1 4.12 0.02 . 2 . . . . . 21 G HA2 . 50579 1 214 . 1 . 1 21 21 GLY CA C 13 45.3 0.3 . 1 . . . . . 21 G CA . 50579 1 215 . 1 . 1 21 21 GLY N N 15 108.93 0.3 . 1 . . . . . 21 G N . 50579 1 216 . 1 . 1 22 22 GLN H H 1 8.325 0.02 . 1 . . . . . 22 Q HN . 50579 1 217 . 1 . 1 22 22 GLN HA H 1 5.124 0.02 . 1 . . . . . 22 Q HA . 50579 1 218 . 1 . 1 22 22 GLN HB2 H 1 1.978 0.02 . 2 . . . . . 22 Q HB1 . 50579 1 219 . 1 . 1 22 22 GLN HB3 H 1 1.877 0.02 . 2 . . . . . 22 Q HB2 . 50579 1 220 . 1 . 1 22 22 GLN HG2 H 1 2.177 0.02 . 2 . . . . . 22 Q HG1 . 50579 1 221 . 1 . 1 22 22 GLN HG3 H 1 2.177 0.02 . 2 . . . . . 22 Q HG2 . 50579 1 222 . 1 . 1 22 22 GLN C C 13 174.529 0.3 . 1 . . . . . 22 Q C . 50579 1 223 . 1 . 1 22 22 GLN CA C 13 55.27 0.3 . 1 . . . . . 22 Q CA . 50579 1 224 . 1 . 1 22 22 GLN CB C 13 31.88 0.3 . 1 . . . . . 22 Q CB . 50579 1 225 . 1 . 1 22 22 GLN CG C 13 33.655 0.3 . 1 . . . . . 22 Q CG . 50579 1 226 . 1 . 1 22 22 GLN N N 15 118.67 0.3 . 1 . . . . . 22 Q N . 50579 1 227 . 1 . 1 23 23 LYS H H 1 8.855 0.02 . 1 . . . . . 23 K HN . 50579 1 228 . 1 . 1 23 23 LYS HA H 1 4.588 0.02 . 1 . . . . . 23 K HA . 50579 1 229 . 1 . 1 23 23 LYS HB2 H 1 1.722 0.02 . 2 . . . . . 23 K HB1 . 50579 1 230 . 1 . 1 23 23 LYS HB3 H 1 1.82 0.02 . 2 . . . . . 23 K HB2 . 50579 1 231 . 1 . 1 23 23 LYS HG2 H 1 1.339 0.02 . 2 . . . . . 23 K HG1 . 50579 1 232 . 1 . 1 23 23 LYS HG3 H 1 1.339 0.02 . 2 . . . . . 23 K HG2 . 50579 1 233 . 1 . 1 23 23 LYS HD2 H 1 1.616 0.02 . 2 . . . . . 23 K HD1 . 50579 1 234 . 1 . 1 23 23 LYS HD3 H 1 1.616 0.02 . 2 . . . . . 23 K HD2 . 50579 1 235 . 1 . 1 23 23 LYS HE2 H 1 2.871 0.02 . 2 . . . . . 23 K HE1 . 50579 1 236 . 1 . 1 23 23 LYS HE3 H 1 2.871 0.02 . 2 . . . . . 23 K HE2 . 50579 1 237 . 1 . 1 23 23 LYS C C 13 175.013 0.3 . 1 . . . . . 23 K C . 50579 1 238 . 1 . 1 23 23 LYS CA C 13 55.831 0.3 . 1 . . . . . 23 K CA . 50579 1 239 . 1 . 1 23 23 LYS CB C 13 35.788 0.3 . 1 . . . . . 23 K CB . 50579 1 240 . 1 . 1 23 23 LYS CG C 13 24.729 0.3 . 1 . . . . . 23 K CG . 50579 1 241 . 1 . 1 23 23 LYS CD C 13 29.227 0.3 . 1 . . . . . 23 K CD . 50579 1 242 . 1 . 1 23 23 LYS CE C 13 42.134 0.3 . 1 . . . . . 23 K CE . 50579 1 243 . 1 . 1 23 23 LYS N N 15 122.87 0.3 . 1 . . . . . 23 K N . 50579 1 244 . 1 . 1 24 24 VAL H H 1 8.443 0.02 . 1 . . . . . 24 V HN . 50579 1 245 . 1 . 1 24 24 VAL HA H 1 4.201 0.02 . 1 . . . . . 24 V HA . 50579 1 246 . 1 . 1 24 24 VAL HB H 1 1.962 0.02 . 1 . . . . . 24 V HB . 50579 1 247 . 1 . 1 24 24 VAL HG11 H 1 0.893 0.02 . 2 . . . . . 24 V HG11 . 50579 1 248 . 1 . 1 24 24 VAL HG12 H 1 0.893 0.02 . 2 . . . . . 24 V HG11 . 50579 1 249 . 1 . 1 24 24 VAL HG13 H 1 0.893 0.02 . 2 . . . . . 24 V HG11 . 50579 1 250 . 1 . 1 24 24 VAL CA C 13 62.42 0.3 . 1 . . . . . 24 V CA . 50579 1 251 . 1 . 1 24 24 VAL CB C 13 32.62 0.3 . 1 . . . . . 24 V CB . 50579 1 252 . 1 . 1 24 24 VAL CG1 C 13 21.302 0.3 . 1 . . . . . 24 V CG1 . 50579 1 253 . 1 . 1 24 24 VAL N N 15 123.66 0.3 . 1 . . . . . 24 V N . 50579 1 254 . 1 . 1 25 25 VAL H H 1 9.037 0.02 . 1 . . . . . 25 V HN . 50579 1 255 . 1 . 1 25 25 VAL HA H 1 4.212 0.02 . 1 . . . . . 25 V HA . 50579 1 256 . 1 . 1 25 25 VAL HB H 1 2.037 0.02 . 1 . . . . . 25 V HB . 50579 1 257 . 1 . 1 25 25 VAL HG11 H 1 0.896 0.02 . 2 . . . . . 25 V HG11 . 50579 1 258 . 1 . 1 25 25 VAL HG12 H 1 0.896 0.02 . 2 . . . . . 25 V HG11 . 50579 1 259 . 1 . 1 25 25 VAL HG13 H 1 0.896 0.02 . 2 . . . . . 25 V HG11 . 50579 1 260 . 1 . 1 25 25 VAL HG21 H 1 0.896 0.02 . 2 . . . . . 25 V HG21 . 50579 1 261 . 1 . 1 25 25 VAL HG22 H 1 0.896 0.02 . 2 . . . . . 25 V HG21 . 50579 1 262 . 1 . 1 25 25 VAL HG23 H 1 0.896 0.02 . 2 . . . . . 25 V HG21 . 50579 1 263 . 1 . 1 25 25 VAL C C 13 175.594 0.3 . 1 . . . . . 25 V C . 50579 1 264 . 1 . 1 25 25 VAL CA C 13 61.02 0.3 . 1 . . . . . 25 V CA . 50579 1 265 . 1 . 1 25 25 VAL CB C 13 33.5 0.3 . 1 . . . . . 25 V CB . 50579 1 266 . 1 . 1 25 25 VAL CG1 C 13 21.063 0.3 . 1 . . . . . 25 V CG1 . 50579 1 267 . 1 . 1 25 25 VAL CG2 C 13 21.063 0.3 . 1 . . . . . 25 V CG2 . 50579 1 268 . 1 . 1 25 25 VAL N N 15 128.02 0.3 . 1 . . . . . 25 V N . 50579 1 269 . 1 . 1 26 26 LYS H H 1 8.423 0.02 . 1 . . . . . 26 K HN . 50579 1 270 . 1 . 1 26 26 LYS HA H 1 4.002 0.02 . 1 . . . . . 26 K HA . 50579 1 271 . 1 . 1 26 26 LYS HB2 H 1 1.779 0.02 . 2 . . . . . 26 K HB1 . 50579 1 272 . 1 . 1 26 26 LYS HB3 H 1 1.779 0.02 . 2 . . . . . 26 K HB2 . 50579 1 273 . 1 . 1 26 26 LYS HG2 H 1 1.342 0.02 . 2 . . . . . 26 K HG1 . 50579 1 274 . 1 . 1 26 26 LYS HG3 H 1 1.454 0.02 . 2 . . . . . 26 K HG2 . 50579 1 275 . 1 . 1 26 26 LYS HD2 H 1 1.68 0.02 . 2 . . . . . 26 K HD1 . 50579 1 276 . 1 . 1 26 26 LYS HD3 H 1 1.68 0.02 . 2 . . . . . 26 K HD2 . 50579 1 277 . 1 . 1 26 26 LYS HE2 H 1 2.983 0.02 . 2 . . . . . 26 K HE1 . 50579 1 278 . 1 . 1 26 26 LYS HE3 H 1 2.983 0.02 . 2 . . . . . 26 K HE2 . 50579 1 279 . 1 . 1 26 26 LYS C C 13 177.385 0.3 . 1 . . . . . 26 K C . 50579 1 280 . 1 . 1 26 26 LYS CA C 13 58.066 0.3 . 1 . . . . . 26 K CA . 50579 1 281 . 1 . 1 26 26 LYS CB C 13 32.157 0.3 . 1 . . . . . 26 K CB . 50579 1 282 . 1 . 1 26 26 LYS CG C 13 24.813 0.3 . 1 . . . . . 26 K CG . 50579 1 283 . 1 . 1 26 26 LYS CD C 13 29.566 0.3 . 1 . . . . . 26 K CD . 50579 1 284 . 1 . 1 26 26 LYS CE C 13 42.143 0.3 . 1 . . . . . 26 K CE . 50579 1 285 . 1 . 1 26 26 LYS N N 15 125.56 0.3 . 1 . . . . . 26 K N . 50579 1 286 . 1 . 1 27 27 GLY H H 1 8.645 0.02 . 1 . . . . . 27 G HN . 50579 1 287 . 1 . 1 27 27 GLY HA2 H 1 3.67 0.02 . 2 . . . . . 27 G HA1 . 50579 1 288 . 1 . 1 27 27 GLY HA3 H 1 4.226 0.02 . 2 . . . . . 27 G HA2 . 50579 1 289 . 1 . 1 27 27 GLY C C 13 173.513 0.3 . 1 . . . . . 27 G C . 50579 1 290 . 1 . 1 27 27 GLY CA C 13 45.18 0.3 . 1 . . . . . 27 G CA . 50579 1 291 . 1 . 1 27 27 GLY N N 15 112.5 0.3 . 1 . . . . . 27 G N . 50579 1 292 . 1 . 1 28 28 ASN H H 1 7.815 0.02 . 1 . . . . . 28 N HN . 50579 1 293 . 1 . 1 28 28 ASN HA H 1 5.119 0.02 . 1 . . . . . 28 N HA . 50579 1 294 . 1 . 1 28 28 ASN HB2 H 1 2.694 0.02 . 2 . . . . . 28 N HB1 . 50579 1 295 . 1 . 1 28 28 ASN HB3 H 1 3.064 0.02 . 2 . . . . . 28 N HB2 . 50579 1 296 . 1 . 1 28 28 ASN CA C 13 50.1 0.3 . 1 . . . . . 28 N CA . 50579 1 297 . 1 . 1 28 28 ASN CB C 13 40.25 0.3 . 1 . . . . . 28 N CB . 50579 1 298 . 1 . 1 28 28 ASN N N 15 119.34 0.3 . 1 . . . . . 28 N N . 50579 1 299 . 1 . 1 29 29 PRO HA H 1 4.425 0.02 . 1 . . . . . 29 P HA . 50579 1 300 . 1 . 1 29 29 PRO HB2 H 1 2.254 0.02 . 2 . . . . . 29 P HB1 . 50579 1 301 . 1 . 1 29 29 PRO HB3 H 1 1.957 0.02 . 2 . . . . . 29 P HB2 . 50579 1 302 . 1 . 1 29 29 PRO HG2 H 1 1.93 0.02 . 2 . . . . . 29 P HG1 . 50579 1 303 . 1 . 1 29 29 PRO HG3 H 1 2.024 0.02 . 2 . . . . . 29 P HG2 . 50579 1 304 . 1 . 1 29 29 PRO HD2 H 1 3.92 0.02 . 2 . . . . . 29 P HD1 . 50579 1 305 . 1 . 1 29 29 PRO HD3 H 1 3.734 0.02 . 2 . . . . . 29 P HD2 . 50579 1 306 . 1 . 1 29 29 PRO C C 13 176.32 0.3 . 1 . . . . . 29 P C . 50579 1 307 . 1 . 1 29 29 PRO CA C 13 63.65 0.3 . 1 . . . . . 29 P CA . 50579 1 308 . 1 . 1 29 29 PRO CB C 13 32.25 0.3 . 1 . . . . . 29 P CB . 50579 1 309 . 1 . 1 29 29 PRO CG C 13 26.692 0.3 . 1 . . . . . 29 P CG . 50579 1 310 . 1 . 1 29 29 PRO CD C 13 50.651 0.3 . 1 . . . . . 29 P CD . 50579 1 311 . 1 . 1 30 30 ASN H H 1 8.225 0.02 . 1 . . . . . 30 N HN . 50579 1 312 . 1 . 1 30 30 ASN HA H 1 5.004 0.02 . 1 . . . . . 30 N HA . 50579 1 313 . 1 . 1 30 30 ASN HB2 H 1 2.854 0.02 . 2 . . . . . 30 N HB1 . 50579 1 314 . 1 . 1 30 30 ASN HB3 H 1 2.775 0.02 . 2 . . . . . 30 N HB2 . 50579 1 315 . 1 . 1 30 30 ASN CA C 13 50.514 0.3 . 1 . . . . . 30 N CA . 50579 1 316 . 1 . 1 30 30 ASN CB C 13 39.14 0.3 . 1 . . . . . 30 N CB . 50579 1 317 . 1 . 1 30 30 ASN N N 15 119.15 0.3 . 1 . . . . . 30 N N . 50579 1 318 . 1 . 1 31 31 PRO HA H 1 4.403 0.02 . 1 . . . . . 31 P HA . 50579 1 319 . 1 . 1 31 31 PRO HB2 H 1 2.09 0.02 . 2 . . . . . 31 P HB1 . 50579 1 320 . 1 . 1 31 31 PRO HB3 H 1 1.958 0.02 . 2 . . . . . 31 P HB2 . 50579 1 321 . 1 . 1 31 31 PRO HG2 H 1 1.964 0.02 . 2 . . . . . 31 P HG1 . 50579 1 322 . 1 . 1 31 31 PRO HG3 H 1 1.964 0.02 . 2 . . . . . 31 P HG2 . 50579 1 323 . 1 . 1 31 31 PRO HD2 H 1 3.744 0.02 . 2 . . . . . 31 P HD1 . 50579 1 324 . 1 . 1 31 31 PRO HD3 H 1 3.937 0.02 . 2 . . . . . 31 P HD2 . 50579 1 325 . 1 . 1 31 31 PRO C C 13 176.12 0.3 . 1 . . . . . 31 P C . 50579 1 326 . 1 . 1 31 31 PRO CA C 13 63.03 0.3 . 1 . . . . . 31 P CA . 50579 1 327 . 1 . 1 31 31 PRO CB C 13 32.37 0.3 . 1 . . . . . 31 P CB . 50579 1 328 . 1 . 1 31 31 PRO CG C 13 27.411 0.3 . 1 . . . . . 31 P CG . 50579 1 329 . 1 . 1 31 31 PRO CD C 13 50.766 0.3 . 1 . . . . . 31 P CD . 50579 1 330 . 1 . 1 32 32 ARG H H 1 8.696 0.02 . 1 . . . . . 32 R HN . 50579 1 331 . 1 . 1 32 32 ARG HA H 1 4.838 0.02 . 1 . . . . . 32 R HA . 50579 1 332 . 1 . 1 32 32 ARG HB2 H 1 1.62 0.02 . 2 . . . . . 32 R HB1 . 50579 1 333 . 1 . 1 32 32 ARG HB3 H 1 1.764 0.02 . 2 . . . . . 32 R HB2 . 50579 1 334 . 1 . 1 32 32 ARG HG2 H 1 1.379 0.02 . 2 . . . . . 32 R HG1 . 50579 1 335 . 1 . 1 32 32 ARG HG3 H 1 1.379 0.02 . 2 . . . . . 32 R HG2 . 50579 1 336 . 1 . 1 32 32 ARG HD2 H 1 2.838 0.02 . 2 . . . . . 32 R HD1 . 50579 1 337 . 1 . 1 32 32 ARG HD3 H 1 2.838 0.02 . 2 . . . . . 32 R HD2 . 50579 1 338 . 1 . 1 32 32 ARG C C 13 175.836 0.3 . 1 . . . . . 32 R C . 50579 1 339 . 1 . 1 32 32 ARG CA C 13 55.123 0.3 . 1 . . . . . 32 R CA . 50579 1 340 . 1 . 1 32 32 ARG CB C 13 32.76 0.3 . 1 . . . . . 32 R CB . 50579 1 341 . 1 . 1 32 32 ARG CG C 13 27.051 0.3 . 1 . . . . . 32 R CG . 50579 1 342 . 1 . 1 32 32 ARG CD C 13 43.7 0.3 . 1 . . . . . 32 R CD . 50579 1 343 . 1 . 1 32 32 ARG N N 15 123.18 0.3 . 1 . . . . . 32 R N . 50579 1 344 . 1 . 1 33 33 SER H H 1 8.753 0.02 . 1 . . . . . 33 S HN . 50579 1 345 . 1 . 1 33 33 SER HA H 1 4.835 0.02 . 1 . . . . . 33 S HA . 50579 1 346 . 1 . 1 33 33 SER HB2 H 1 3.543 0.02 . 2 . . . . . 33 S HB1 . 50579 1 347 . 1 . 1 33 33 SER HB3 H 1 3.79 0.02 . 2 . . . . . 33 S HB2 . 50579 1 348 . 1 . 1 33 33 SER C C 13 172.4 0.3 . 1 . . . . . 33 S C . 50579 1 349 . 1 . 1 33 33 SER CA C 13 58.46 0.3 . 1 . . . . . 33 S CA . 50579 1 350 . 1 . 1 33 33 SER CB C 13 66 0.3 . 1 . . . . . 33 S CB . 50579 1 351 . 1 . 1 33 33 SER N N 15 120.41 0.3 . 1 . . . . . 33 S N . 50579 1 352 . 1 . 1 34 34 TYR H H 1 8.333 0.02 . 1 . . . . . 34 Y HN . 50579 1 353 . 1 . 1 34 34 TYR HA H 1 4.904 0.02 . 1 . . . . . 34 Y HA . 50579 1 354 . 1 . 1 34 34 TYR HB2 H 1 1.933 0.02 . 2 . . . . . 34 Y HB1 . 50579 1 355 . 1 . 1 34 34 TYR HB3 H 1 2.462 0.02 . 2 . . . . . 34 Y HB2 . 50579 1 356 . 1 . 1 34 34 TYR C C 13 174.045 0.3 . 1 . . . . . 34 Y C . 50579 1 357 . 1 . 1 34 34 TYR CA C 13 57.047 0.3 . 1 . . . . . 34 Y CA . 50579 1 358 . 1 . 1 34 34 TYR CB C 13 39.399 0.3 . 1 . . . . . 34 Y CB . 50579 1 359 . 1 . 1 34 34 TYR N N 15 122.31 0.3 . 1 . . . . . 34 Y N . 50579 1 360 . 1 . 1 35 35 TYR H H 1 9.422 0.02 . 1 . . . . . 35 Y HN . 50579 1 361 . 1 . 1 35 35 TYR HA H 1 5.592 0.02 . 1 . . . . . 35 Y HA . 50579 1 362 . 1 . 1 35 35 TYR HB2 H 1 3.068 0.02 . 2 . . . . . 35 Y HB1 . 50579 1 363 . 1 . 1 35 35 TYR HB3 H 1 2.631 0.02 . 2 . . . . . 35 Y HB2 . 50579 1 364 . 1 . 1 35 35 TYR C C 13 175.4 0.3 . 1 . . . . . 35 Y C . 50579 1 365 . 1 . 1 35 35 TYR CA C 13 56.75 0.3 . 1 . . . . . 35 Y CA . 50579 1 366 . 1 . 1 35 35 TYR CB C 13 43.21 0.3 . 1 . . . . . 35 Y CB . 50579 1 367 . 1 . 1 35 35 TYR N N 15 119.094 0.3 . 1 . . . . . 35 Y N . 50579 1 368 . 1 . 1 36 36 LYS H H 1 9.659 0.02 . 1 . . . . . 36 K HN . 50579 1 369 . 1 . 1 36 36 LYS HA H 1 5.535 0.02 . 1 . . . . . 36 K HA . 50579 1 370 . 1 . 1 36 36 LYS HB2 H 1 1.965 0.02 . 2 . . . . . 36 K HB1 . 50579 1 371 . 1 . 1 36 36 LYS HB3 H 1 1.965 0.02 . 2 . . . . . 36 K HB2 . 50579 1 372 . 1 . 1 36 36 LYS HG2 H 1 1.331 0.02 . 2 . . . . . 36 K HG1 . 50579 1 373 . 1 . 1 36 36 LYS HG3 H 1 1.331 0.02 . 2 . . . . . 36 K HG2 . 50579 1 374 . 1 . 1 36 36 LYS HD2 H 1 1.641 0.02 . 2 . . . . . 36 K HD1 . 50579 1 375 . 1 . 1 36 36 LYS HD3 H 1 1.512 0.02 . 2 . . . . . 36 K HD2 . 50579 1 376 . 1 . 1 36 36 LYS HE2 H 1 2.862 0.02 . 2 . . . . . 36 K HE1 . 50579 1 377 . 1 . 1 36 36 LYS HE3 H 1 2.862 0.02 . 2 . . . . . 36 K HE2 . 50579 1 378 . 1 . 1 36 36 LYS C C 13 175.062 0.3 . 1 . . . . . 36 K C . 50579 1 379 . 1 . 1 36 36 LYS CA C 13 54.09 0.3 . 1 . . . . . 36 K CA . 50579 1 380 . 1 . 1 36 36 LYS CB C 13 35.72 0.3 . 1 . . . . . 36 K CB . 50579 1 381 . 1 . 1 36 36 LYS CG C 13 24.057 0.3 . 1 . . . . . 36 K CG . 50579 1 382 . 1 . 1 36 36 LYS CD C 13 29.087 0.3 . 1 . . . . . 36 K CD . 50579 1 383 . 1 . 1 36 36 LYS CE C 13 42.262 0.3 . 1 . . . . . 36 K CE . 50579 1 384 . 1 . 1 36 36 LYS N N 15 120.9 0.3 . 1 . . . . . 36 K N . 50579 1 385 . 1 . 1 37 37 CYS H H 1 8.029 0.02 . 1 . . . . . 37 C HN . 50579 1 386 . 1 . 1 37 37 CYS HA H 1 4.186 0.02 . 1 . . . . . 37 C HA . 50579 1 387 . 1 . 1 37 37 CYS HB2 H 1 2.531 0.02 . 2 . . . . . 37 C HB1 . 50579 1 388 . 1 . 1 37 37 CYS HB3 H 1 2.797 0.02 . 2 . . . . . 37 C HB2 . 50579 1 389 . 1 . 1 37 37 CYS CA C 13 60.44 0.3 . 1 . . . . . 37 C CA . 50579 1 390 . 1 . 1 37 37 CYS CB C 13 29.79 0.3 . 1 . . . . . 37 C CB . 50579 1 391 . 1 . 1 37 37 CYS N N 15 128.4 0.3 . 1 . . . . . 37 C N . 50579 1 392 . 1 . 1 38 38 THR H H 1 8.092 0.02 . 1 . . . . . 38 T HN . 50579 1 393 . 1 . 1 38 38 THR HA H 1 4.43 0.02 . 1 . . . . . 38 T HA . 50579 1 394 . 1 . 1 38 38 THR HB H 1 4.183 0.02 . 1 . . . . . 38 T HB . 50579 1 395 . 1 . 1 38 38 THR HG21 H 1 1.155 0.02 . 1 . . . . . 38 T HG21 . 50579 1 396 . 1 . 1 38 38 THR HG22 H 1 1.155 0.02 . 1 . . . . . 38 T HG21 . 50579 1 397 . 1 . 1 38 38 THR HG23 H 1 1.155 0.02 . 1 . . . . . 38 T HG21 . 50579 1 398 . 1 . 1 38 38 THR C C 13 176.417 0.3 . 1 . . . . . 38 T C . 50579 1 399 . 1 . 1 38 38 THR CA C 13 63.237 0.3 . 1 . . . . . 38 T CA . 50579 1 400 . 1 . 1 38 38 THR CB C 13 68.898 0.3 . 1 . . . . . 38 T CB . 50579 1 401 . 1 . 1 38 38 THR CG2 C 13 22.979 0.3 . 1 . . . . . 38 T CG2 . 50579 1 402 . 1 . 1 38 38 THR N N 15 117.38 0.3 . 1 . . . . . 38 T N . 50579 1 403 . 1 . 1 39 39 THR H H 1 8.625 0.02 . 1 . . . . . 39 T HN . 50579 1 404 . 1 . 1 39 39 THR HA H 1 3.944 0.02 . 1 . . . . . 39 T HA . 50579 1 405 . 1 . 1 39 39 THR HB H 1 3.549 0.02 . 1 . . . . . 39 T HB . 50579 1 406 . 1 . 1 39 39 THR HG21 H 1 0.748 0.02 . 1 . . . . . 39 T HG21 . 50579 1 407 . 1 . 1 39 39 THR HG22 H 1 0.748 0.02 . 1 . . . . . 39 T HG21 . 50579 1 408 . 1 . 1 39 39 THR HG23 H 1 0.748 0.02 . 1 . . . . . 39 T HG21 . 50579 1 409 . 1 . 1 39 39 THR C C 13 174.432 0.3 . 1 . . . . . 39 T C . 50579 1 410 . 1 . 1 39 39 THR CA C 13 65.37 0.3 . 1 . . . . . 39 T CA . 50579 1 411 . 1 . 1 39 39 THR CB C 13 68.32 0.3 . 1 . . . . . 39 T CB . 50579 1 412 . 1 . 1 39 39 THR CG2 C 13 21.302 0.3 . 1 . . . . . 39 T CG2 . 50579 1 413 . 1 . 1 39 39 THR N N 15 125.26 0.3 . 1 . . . . . 39 T N . 50579 1 414 . 1 . 1 40 40 ILE H H 1 8.521 0.02 . 1 . . . . . 40 I HN . 50579 1 415 . 1 . 1 40 40 ILE HA H 1 3.739 0.02 . 1 . . . . . 40 I HA . 50579 1 416 . 1 . 1 40 40 ILE HB H 1 1.778 0.02 . 1 . . . . . 40 I HB . 50579 1 417 . 1 . 1 40 40 ILE HG12 H 1 1.302 0.02 . 1 . . . . . 40 I HG11 . 50579 1 418 . 1 . 1 40 40 ILE HG13 H 1 1.649 0.02 . 1 . . . . . 40 I HG12 . 50579 1 419 . 1 . 1 40 40 ILE HG21 H 1 0.894 0.02 . 1 . . . . . 40 I HG21 . 50579 1 420 . 1 . 1 40 40 ILE HG22 H 1 0.894 0.02 . 1 . . . . . 40 I HG21 . 50579 1 421 . 1 . 1 40 40 ILE HG23 H 1 0.894 0.02 . 1 . . . . . 40 I HG21 . 50579 1 422 . 1 . 1 40 40 ILE HD11 H 1 0.826 0.02 . 1 . . . . . 40 I HD11 . 50579 1 423 . 1 . 1 40 40 ILE HD12 H 1 0.826 0.02 . 1 . . . . . 40 I HD11 . 50579 1 424 . 1 . 1 40 40 ILE HD13 H 1 0.826 0.02 . 1 . . . . . 40 I HD11 . 50579 1 425 . 1 . 1 40 40 ILE C C 13 177.723 0.3 . 1 . . . . . 40 I C . 50579 1 426 . 1 . 1 40 40 ILE CA C 13 63.03 0.3 . 1 . . . . . 40 I CA . 50579 1 427 . 1 . 1 40 40 ILE CB C 13 37.05 0.3 . 1 . . . . . 40 I CB . 50579 1 428 . 1 . 1 40 40 ILE CG1 C 13 28.246 0.3 . 1 . . . . . 40 I CG1 . 50579 1 429 . 1 . 1 40 40 ILE CG2 C 13 17.23 0.3 . 1 . . . . . 40 I CG2 . 50579 1 430 . 1 . 1 40 40 ILE CD1 C 13 12.84 0.3 . 1 . . . . . 40 I CD1 . 50579 1 431 . 1 . 1 40 40 ILE N N 15 131.07 0.3 . 1 . . . . . 40 I N . 50579 1 432 . 1 . 1 41 41 GLY H H 1 8.931 0.02 . 1 . . . . . 41 G HN . 50579 1 433 . 1 . 1 41 41 GLY HA2 H 1 4.228 0.02 . 2 . . . . . 41 G HA1 . 50579 1 434 . 1 . 1 41 41 GLY HA3 H 1 3.674 0.02 . 2 . . . . . 41 G HA2 . 50579 1 435 . 1 . 1 41 41 GLY CA C 13 44.93 0.3 . 1 . . . . . 41 G CA . 50579 1 436 . 1 . 1 41 41 GLY N N 15 115.84 0.3 . 1 . . . . . 41 G N . 50579 1 437 . 1 . 1 42 42 CYS H H 1 8.04 0.02 . 1 . . . . . 42 C HN . 50579 1 438 . 1 . 1 42 42 CYS HA H 1 5.058 0.02 . 1 . . . . . 42 C HA . 50579 1 439 . 1 . 1 42 42 CYS HB2 H 1 2.769 0.02 . 2 . . . . . 42 C HB1 . 50579 1 440 . 1 . 1 42 42 CYS HB3 H 1 3.128 0.02 . 2 . . . . . 42 C HB2 . 50579 1 441 . 1 . 1 42 42 CYS C C 13 173.852 0.3 . 1 . . . . . 42 C C . 50579 1 442 . 1 . 1 42 42 CYS CA C 13 56.63 0.3 . 1 . . . . . 42 C CA . 50579 1 443 . 1 . 1 42 42 CYS CB C 13 31.321 0.3 . 1 . . . . . 42 C CB . 50579 1 444 . 1 . 1 42 42 CYS N N 15 125.47 0.3 . 1 . . . . . 42 C N . 50579 1 445 . 1 . 1 43 43 PRO HA H 1 4.683 0.02 . 1 . . . . . 43 P HA . 50579 1 446 . 1 . 1 43 43 PRO HB2 H 1 2.249 0.02 . 2 . . . . . 43 P HB1 . 50579 1 447 . 1 . 1 43 43 PRO HB3 H 1 1.835 0.02 . 2 . . . . . 43 P HB2 . 50579 1 448 . 1 . 1 43 43 PRO HG2 H 1 1.879 0.02 . 2 . . . . . 43 P HG1 . 50579 1 449 . 1 . 1 43 43 PRO HG3 H 1 2.19 0.02 . 2 . . . . . 43 P HG2 . 50579 1 450 . 1 . 1 43 43 PRO HD2 H 1 3.731 0.02 . 2 . . . . . 43 P HD1 . 50579 1 451 . 1 . 1 43 43 PRO HD3 H 1 3.921 0.02 . 2 . . . . . 43 P HD2 . 50579 1 452 . 1 . 1 43 43 PRO C C 13 177.481 0.3 . 1 . . . . . 43 P C . 50579 1 453 . 1 . 1 43 43 PRO CA C 13 63.65 0.3 . 1 . . . . . 43 P CA . 50579 1 454 . 1 . 1 43 43 PRO CB C 13 32.32 0.3 . 1 . . . . . 43 P CB . 50579 1 455 . 1 . 1 43 43 PRO CG C 13 27.051 0.3 . 1 . . . . . 43 P CG . 50579 1 456 . 1 . 1 43 43 PRO CD C 13 51.066 0.3 . 1 . . . . . 43 P CD . 50579 1 457 . 1 . 1 44 44 VAL H H 1 8.303 0.02 . 1 . . . . . 44 V HN . 50579 1 458 . 1 . 1 44 44 VAL HA H 1 4.25 0.02 . 1 . . . . . 44 V HA . 50579 1 459 . 1 . 1 44 44 VAL HB H 1 1.471 0.02 . 1 . . . . . 44 V HB . 50579 1 460 . 1 . 1 44 44 VAL HG21 H 1 0.845 0.02 . 2 . . . . . 44 V HG21 . 50579 1 461 . 1 . 1 44 44 VAL HG22 H 1 0.845 0.02 . 2 . . . . . 44 V HG21 . 50579 1 462 . 1 . 1 44 44 VAL HG23 H 1 0.845 0.02 . 2 . . . . . 44 V HG21 . 50579 1 463 . 1 . 1 44 44 VAL C C 13 176.513 0.3 . 1 . . . . . 44 V C . 50579 1 464 . 1 . 1 44 44 VAL CA C 13 65.86 0.3 . 1 . . . . . 44 V CA . 50579 1 465 . 1 . 1 44 44 VAL CB C 13 31.39 0.3 . 1 . . . . . 44 V CB . 50579 1 466 . 1 . 1 44 44 VAL CG2 C 13 22.141 0.3 . 1 . . . . . 44 V CG2 . 50579 1 467 . 1 . 1 44 44 VAL N N 15 123.41 0.3 . 1 . . . . . 44 V N . 50579 1 468 . 1 . 1 45 45 ARG H H 1 8.586 0.02 . 1 . . . . . 45 R HN . 50579 1 469 . 1 . 1 45 45 ARG HA H 1 5.603 0.02 . 1 . . . . . 45 R HA . 50579 1 470 . 1 . 1 45 45 ARG HB2 H 1 2.208 0.02 . 2 . . . . . 45 R HB2 . 50579 1 471 . 1 . 1 45 45 ARG HG2 H 1 1.87 0.02 . 2 . . . . . 45 R HG1 . 50579 1 472 . 1 . 1 45 45 ARG HG3 H 1 1.87 0.02 . 2 . . . . . 45 R HG2 . 50579 1 473 . 1 . 1 45 45 ARG HD2 H 1 3.296 0.02 . 2 . . . . . 45 R HD1 . 50579 1 474 . 1 . 1 45 45 ARG HD3 H 1 3.296 0.02 . 2 . . . . . 45 R HD2 . 50579 1 475 . 1 . 1 45 45 ARG C C 13 173.9 0.3 . 1 . . . . . 45 R C . 50579 1 476 . 1 . 1 45 45 ARG CA C 13 54.103 0.3 . 1 . . . . . 45 R CA . 50579 1 477 . 1 . 1 45 45 ARG CB C 13 34.22 0.3 . 1 . . . . . 45 R CB . 50579 1 478 . 1 . 1 45 45 ARG CG C 13 27.89 0.3 . 1 . . . . . 45 R CG . 50579 1 479 . 1 . 1 45 45 ARG CD C 13 43.714 0.3 . 1 . . . . . 45 R CD . 50579 1 480 . 1 . 1 45 45 ARG N N 15 126.56 0.3 . 1 . . . . . 45 R N . 50579 1 481 . 1 . 1 46 46 LYS H H 1 9.116 0.02 . 1 . . . . . 46 K HN . 50579 1 482 . 1 . 1 46 46 LYS HA H 1 5.16 0.02 . 1 . . . . . 46 K HA . 50579 1 483 . 1 . 1 46 46 LYS HB2 H 1 1.776 0.02 . 2 . . . . . 46 K HB1 . 50579 1 484 . 1 . 1 46 46 LYS HB3 H 1 1.776 0.02 . 2 . . . . . 46 K HB2 . 50579 1 485 . 1 . 1 46 46 LYS HG2 H 1 1.401 0.02 . 2 . . . . . 46 K HG1 . 50579 1 486 . 1 . 1 46 46 LYS HG3 H 1 1.312 0.02 . 2 . . . . . 46 K HG2 . 50579 1 487 . 1 . 1 46 46 LYS HD2 H 1 1.685 0.02 . 2 . . . . . 46 K HD1 . 50579 1 488 . 1 . 1 46 46 LYS HD3 H 1 1.685 0.02 . 2 . . . . . 46 K HD2 . 50579 1 489 . 1 . 1 46 46 LYS HE2 H 1 2.862 0.02 . 2 . . . . . 46 K HE1 . 50579 1 490 . 1 . 1 46 46 LYS HE3 H 1 2.862 0.02 . 2 . . . . . 46 K HE2 . 50579 1 491 . 1 . 1 46 46 LYS C C 13 174.045 0.3 . 1 . . . . . 46 K C . 50579 1 492 . 1 . 1 46 46 LYS CA C 13 54.12 0.3 . 1 . . . . . 46 K CA . 50579 1 493 . 1 . 1 46 46 LYS CB C 13 36.984 0.3 . 1 . . . . . 46 K CB . 50579 1 494 . 1 . 1 46 46 LYS CG C 13 24.656 0.3 . 1 . . . . . 46 K CG . 50579 1 495 . 1 . 1 46 46 LYS CD C 13 32.947 0.3 . 1 . . . . . 46 K CD . 50579 1 496 . 1 . 1 46 46 LYS CE C 13 42.085 0.3 . 1 . . . . . 46 K CE . 50579 1 497 . 1 . 1 46 46 LYS N N 15 119.44 0.3 . 1 . . . . . 46 K N . 50579 1 498 . 1 . 1 47 47 HIS H H 1 8.746 0.02 . 1 . . . . . 47 H HN . 50579 1 499 . 1 . 1 47 47 HIS HA H 1 5.589 0.02 . 1 . . . . . 47 H HA . 50579 1 500 . 1 . 1 47 47 HIS HB2 H 1 2.531 0.02 . 2 . . . . . 47 H HB1 . 50579 1 501 . 1 . 1 47 47 HIS HB3 H 1 2.531 0.02 . 2 . . . . . 47 H HB2 . 50579 1 502 . 1 . 1 47 47 HIS C C 13 173.852 0.3 . 1 . . . . . 47 H C . 50579 1 503 . 1 . 1 47 47 HIS CA C 13 53.4 0.3 . 1 . . . . . 47 H CA . 50579 1 504 . 1 . 1 47 47 HIS CB C 13 32.42 0.3 . 1 . . . . . 47 H CB . 50579 1 505 . 1 . 1 47 47 HIS N N 15 120.64 0.3 . 1 . . . . . 47 H N . 50579 1 506 . 1 . 1 48 48 VAL H H 1 8.671 0.02 . 1 . . . . . 48 V HN . 50579 1 507 . 1 . 1 48 48 VAL HA H 1 4.92 0.02 . 1 . . . . . 48 V HA . 50579 1 508 . 1 . 1 48 48 VAL HB H 1 1.846 0.02 . 1 . . . . . 48 V HB . 50579 1 509 . 1 . 1 48 48 VAL HG11 H 1 0.741 0.02 . 2 . . . . . 48 V HG11 . 50579 1 510 . 1 . 1 48 48 VAL HG12 H 1 0.741 0.02 . 2 . . . . . 48 V HG11 . 50579 1 511 . 1 . 1 48 48 VAL HG13 H 1 0.741 0.02 . 2 . . . . . 48 V HG11 . 50579 1 512 . 1 . 1 48 48 VAL HG21 H 1 0.679 0.02 . 2 . . . . . 48 V HG21 . 50579 1 513 . 1 . 1 48 48 VAL HG22 H 1 0.679 0.02 . 2 . . . . . 48 V HG21 . 50579 1 514 . 1 . 1 48 48 VAL HG23 H 1 0.679 0.02 . 2 . . . . . 48 V HG21 . 50579 1 515 . 1 . 1 48 48 VAL C C 13 174.723 0.3 . 1 . . . . . 48 V C . 50579 1 516 . 1 . 1 48 48 VAL CA C 13 61.06 0.3 . 1 . . . . . 48 V CA . 50579 1 517 . 1 . 1 48 48 VAL CB C 13 35.569 0.3 . 1 . . . . . 48 V CB . 50579 1 518 . 1 . 1 48 48 VAL CG1 C 13 21.542 0.3 . 1 . . . . . 48 V CG1 . 50579 1 519 . 1 . 1 48 48 VAL CG2 C 13 21.542 0.3 . 1 . . . . . 48 V CG2 . 50579 1 520 . 1 . 1 48 48 VAL N N 15 120.56 0.3 . 1 . . . . . 48 V N . 50579 1 521 . 1 . 1 49 49 GLU H H 1 8.674 0.02 . 1 . . . . . 49 E HN . 50579 1 522 . 1 . 1 49 49 GLU HA H 1 4.838 0.02 . 1 . . . . . 49 E HA . 50579 1 523 . 1 . 1 49 49 GLU HB2 H 1 1.859 0.02 . 2 . . . . . 49 E HB1 . 50579 1 524 . 1 . 1 49 49 GLU HB3 H 1 1.996 0.02 . 2 . . . . . 49 E HB2 . 50579 1 525 . 1 . 1 49 49 GLU HG2 H 1 2.123 0.02 . 2 . . . . . 49 E HG1 . 50579 1 526 . 1 . 1 49 49 GLU HG3 H 1 2.123 0.02 . 2 . . . . . 49 E HG2 . 50579 1 527 . 1 . 1 49 49 GLU C C 13 174.432 0.3 . 1 . . . . . 49 E C . 50579 1 528 . 1 . 1 49 49 GLU CA C 13 54.41 0.3 . 1 . . . . . 49 E CA . 50579 1 529 . 1 . 1 49 49 GLU CB C 13 33.73 0.3 . 1 . . . . . 49 E CB . 50579 1 530 . 1 . 1 49 49 GLU CG C 13 35.914 0.3 . 1 . . . . . 49 E CG . 50579 1 531 . 1 . 1 49 49 GLU N N 15 124.95 0.3 . 1 . . . . . 49 E N . 50579 1 532 . 1 . 1 50 50 ARG H H 1 8.83 0.02 . 1 . . . . . 50 R HN . 50579 1 533 . 1 . 1 50 50 ARG HA H 1 4.69 0.02 . 1 . . . . . 50 R HA . 50579 1 534 . 1 . 1 50 50 ARG HB2 H 1 1.616 0.02 . 2 . . . . . 50 R HB1 . 50579 1 535 . 1 . 1 50 50 ARG HB3 H 1 1.813 0.02 . 2 . . . . . 50 R HB2 . 50579 1 536 . 1 . 1 50 50 ARG HG2 H 1 1.451 0.02 . 2 . . . . . 50 R HG1 . 50579 1 537 . 1 . 1 50 50 ARG HG3 H 1 1.451 0.02 . 2 . . . . . 50 R HG2 . 50579 1 538 . 1 . 1 50 50 ARG HD2 H 1 3.151 0.02 . 2 . . . . . 50 R HD1 . 50579 1 539 . 1 . 1 50 50 ARG HD3 H 1 3.151 0.02 . 2 . . . . . 50 R HD2 . 50579 1 540 . 1 . 1 50 50 ARG C C 13 175.787 0.3 . 1 . . . . . 50 R C . 50579 1 541 . 1 . 1 50 50 ARG CA C 13 55.938 0.3 . 1 . . . . . 50 R CA . 50579 1 542 . 1 . 1 50 50 ARG CB C 13 31.084 0.3 . 1 . . . . . 50 R CB . 50579 1 543 . 1 . 1 50 50 ARG CG C 13 27.77 0.3 . 1 . . . . . 50 R CG . 50579 1 544 . 1 . 1 50 50 ARG CD C 13 43.46 0.3 . 1 . . . . . 50 R CD . 50579 1 545 . 1 . 1 50 50 ARG N N 15 123.21 0.3 . 1 . . . . . 50 R N . 50579 1 546 . 1 . 1 51 51 ALA H H 1 8.405 0.02 . 1 . . . . . 51 A HN . 50579 1 547 . 1 . 1 51 51 ALA HA H 1 4.267 0.02 . 1 . . . . . 51 A HA . 50579 1 548 . 1 . 1 51 51 ALA HB1 H 1 1.417 0.02 . 1 . . . . . 51 A HB1 . 50579 1 549 . 1 . 1 51 51 ALA HB2 H 1 1.417 0.02 . 1 . . . . . 51 A HB1 . 50579 1 550 . 1 . 1 51 51 ALA HB3 H 1 1.417 0.02 . 1 . . . . . 51 A HB1 . 50579 1 551 . 1 . 1 51 51 ALA C C 13 178.014 0.3 . 1 . . . . . 51 A C . 50579 1 552 . 1 . 1 51 51 ALA CA C 13 52.32 0.3 . 1 . . . . . 51 A CA . 50579 1 553 . 1 . 1 51 51 ALA CB C 13 19.69 0.3 . 1 . . . . . 51 A CB . 50579 1 554 . 1 . 1 51 51 ALA N N 15 126.79 0.3 . 1 . . . . . 51 A N . 50579 1 555 . 1 . 1 52 52 SER H H 1 8.549 0.02 . 1 . . . . . 52 S HN . 50579 1 556 . 1 . 1 52 52 SER HA H 1 4.182 0.02 . 1 . . . . . 52 S HA . 50579 1 557 . 1 . 1 52 52 SER HB2 H 1 3.92 0.02 . 2 . . . . . 52 S HB1 . 50579 1 558 . 1 . 1 52 52 SER HB3 H 1 3.84 0.02 . 2 . . . . . 52 S HB2 . 50579 1 559 . 1 . 1 52 52 SER CA C 13 60.2 0.3 . 1 . . . . . 52 S CA . 50579 1 560 . 1 . 1 52 52 SER CB C 13 63.65 0.3 . 1 . . . . . 52 S CB . 50579 1 561 . 1 . 1 52 52 SER N N 15 115.23 0.3 . 1 . . . . . 52 S N . 50579 1 562 . 1 . 1 53 53 HIS HA H 1 4.602 0.02 . 1 . . . . . 53 H HA . 50579 1 563 . 1 . 1 53 53 HIS HB2 H 1 3.174 0.02 . 2 . . . . . 53 H HB1 . 50579 1 564 . 1 . 1 53 53 HIS HB3 H 1 3.174 0.02 . 2 . . . . . 53 H HB2 . 50579 1 565 . 1 . 1 53 53 HIS C C 13 174.723 0.3 . 1 . . . . . 53 H C . 50579 1 566 . 1 . 1 53 53 HIS CA C 13 56.47 0.3 . 1 . . . . . 53 H CA . 50579 1 567 . 1 . 1 53 53 HIS CB C 13 29.93 0.3 . 1 . . . . . 53 H CB . 50579 1 568 . 1 . 1 54 54 ASP H H 1 7.156 0.02 . 1 . . . . . 54 D HN . 50579 1 569 . 1 . 1 54 54 ASP HA H 1 4.545 0.02 . 1 . . . . . 54 D HA . 50579 1 570 . 1 . 1 54 54 ASP HB2 H 1 2.56 0.02 . 2 . . . . . 54 D HB1 . 50579 1 571 . 1 . 1 54 54 ASP HB3 H 1 2.56 0.02 . 2 . . . . . 54 D HB2 . 50579 1 572 . 1 . 1 54 54 ASP C C 13 175.642 0.3 . 1 . . . . . 54 D C . 50579 1 573 . 1 . 1 54 54 ASP CA C 13 54.09 0.3 . 1 . . . . . 54 D CA . 50579 1 574 . 1 . 1 54 54 ASP CB C 13 41.764 0.3 . 1 . . . . . 54 D CB . 50579 1 575 . 1 . 1 54 54 ASP N N 15 118.32 0.3 . 1 . . . . . 54 D N . 50579 1 576 . 1 . 1 55 55 MET H H 1 8.44 0.02 . 1 . . . . . 55 M HN . 50579 1 577 . 1 . 1 55 55 MET HA H 1 4.335 0.02 . 1 . . . . . 55 M HA . 50579 1 578 . 1 . 1 55 55 MET HB2 H 1 2.627 0.02 . 2 . . . . . 55 M HB1 . 50579 1 579 . 1 . 1 55 55 MET HB3 H 1 2.585 0.02 . 2 . . . . . 55 M HB2 . 50579 1 580 . 1 . 1 55 55 MET HG2 H 1 2.113 0.02 . 2 . . . . . 55 M HG2 . 50579 1 581 . 1 . 1 55 55 MET C C 13 176.368 0.3 . 1 . . . . . 55 M C . 50579 1 582 . 1 . 1 55 55 MET CA C 13 56.813 0.3 . 1 . . . . . 55 M CA . 50579 1 583 . 1 . 1 55 55 MET CB C 13 32.245 0.3 . 1 . . . . . 55 M CB . 50579 1 584 . 1 . 1 55 55 MET CG C 13 28.325 0.3 . 1 . . . . . 55 M CG . 50579 1 585 . 1 . 1 55 55 MET N N 15 120.95 0.3 . 1 . . . . . 55 M N . 50579 1 586 . 1 . 1 56 56 ARG H H 1 8.25 0.02 . 1 . . . . . 56 R HN . 50579 1 587 . 1 . 1 56 56 ARG HA H 1 4.192 0.02 . 1 . . . . . 56 R HA . 50579 1 588 . 1 . 1 56 56 ARG HB2 H 1 1.9 0.02 . 2 . . . . . 56 R HB1 . 50579 1 589 . 1 . 1 56 56 ARG HB3 H 1 1.81 0.02 . 2 . . . . . 56 R HB2 . 50579 1 590 . 1 . 1 56 56 ARG HG2 H 1 1.622 0.02 . 2 . . . . . 56 R HG1 . 50579 1 591 . 1 . 1 56 56 ARG HG3 H 1 1.622 0.02 . 2 . . . . . 56 R HG2 . 50579 1 592 . 1 . 1 56 56 ARG HD2 H 1 3.2 0.02 . 2 . . . . . 56 R HD1 . 50579 1 593 . 1 . 1 56 56 ARG HD3 H 1 3.2 0.02 . 2 . . . . . 56 R HD2 . 50579 1 594 . 1 . 1 56 56 ARG C C 13 176.126 0.3 . 1 . . . . . 56 R C . 50579 1 595 . 1 . 1 56 56 ARG CA C 13 56.63 0.3 . 1 . . . . . 56 R CA . 50579 1 596 . 1 . 1 56 56 ARG CB C 13 30.28 0.3 . 1 . . . . . 56 R CB . 50579 1 597 . 1 . 1 56 56 ARG CG C 13 27.051 0.3 . 1 . . . . . 56 R CG . 50579 1 598 . 1 . 1 56 56 ARG CD C 13 43.34 0.3 . 1 . . . . . 56 R CD . 50579 1 599 . 1 . 1 56 56 ARG N N 15 117.69 0.3 . 1 . . . . . 56 R N . 50579 1 600 . 1 . 1 57 57 ALA H H 1 7.882 0.02 . 1 . . . . . 57 A HN . 50579 1 601 . 1 . 1 57 57 ALA HA H 1 4.477 0.02 . 1 . . . . . 57 A HA . 50579 1 602 . 1 . 1 57 57 ALA HB1 H 1 1.338 0.02 . 1 . . . . . 57 A HB1 . 50579 1 603 . 1 . 1 57 57 ALA HB2 H 1 1.338 0.02 . 1 . . . . . 57 A HB1 . 50579 1 604 . 1 . 1 57 57 ALA HB3 H 1 1.338 0.02 . 1 . . . . . 57 A HB1 . 50579 1 605 . 1 . 1 57 57 ALA C C 13 176.126 0.3 . 1 . . . . . 57 A C . 50579 1 606 . 1 . 1 57 57 ALA CA C 13 51.95 0.3 . 1 . . . . . 57 A CA . 50579 1 607 . 1 . 1 57 57 ALA CB C 13 19.81 0.3 . 1 . . . . . 57 A CB . 50579 1 608 . 1 . 1 57 57 ALA N N 15 123.49 0.3 . 1 . . . . . 57 A N . 50579 1 609 . 1 . 1 58 58 VAL H H 1 8.224 0.02 . 1 . . . . . 58 V HN . 50579 1 610 . 1 . 1 58 58 VAL HA H 1 4.485 0.02 . 1 . . . . . 58 V HA . 50579 1 611 . 1 . 1 58 58 VAL HB H 1 1.956 0.02 . 1 . . . . . 58 V HB . 50579 1 612 . 1 . 1 58 58 VAL HG11 H 1 0.86 0.02 . 2 . . . . . 58 V HG11 . 50579 1 613 . 1 . 1 58 58 VAL HG12 H 1 0.86 0.02 . 2 . . . . . 58 V HG11 . 50579 1 614 . 1 . 1 58 58 VAL HG13 H 1 0.86 0.02 . 2 . . . . . 58 V HG11 . 50579 1 615 . 1 . 1 58 58 VAL C C 13 175.787 0.3 . 1 . . . . . 58 V C . 50579 1 616 . 1 . 1 58 58 VAL CA C 13 61.18 0.3 . 1 . . . . . 58 V CA . 50579 1 617 . 1 . 1 58 58 VAL CB C 13 33.97 0.3 . 1 . . . . . 58 V CB . 50579 1 618 . 1 . 1 58 58 VAL CG1 C 13 21.302 0.3 . 1 . . . . . 58 V CG1 . 50579 1 619 . 1 . 1 58 58 VAL N N 15 119.39 0.3 . 1 . . . . . 58 V N . 50579 1 620 . 1 . 1 59 59 ILE H H 1 9.034 0.02 . 1 . . . . . 59 I HN . 50579 1 621 . 1 . 1 59 59 ILE HA H 1 4.368 0.02 . 1 . . . . . 59 I HA . 50579 1 622 . 1 . 1 59 59 ILE HB H 1 1.831 0.02 . 1 . . . . . 59 I HB . 50579 1 623 . 1 . 1 59 59 ILE HG12 H 1 1.122 0.02 . 1 . . . . . 59 I HG11 . 50579 1 624 . 1 . 1 59 59 ILE HG13 H 1 1.436 0.02 . 1 . . . . . 59 I HG12 . 50579 1 625 . 1 . 1 59 59 ILE HG21 H 1 0.835 0.02 . 1 . . . . . 59 I HG21 . 50579 1 626 . 1 . 1 59 59 ILE HG22 H 1 0.835 0.02 . 1 . . . . . 59 I HG21 . 50579 1 627 . 1 . 1 59 59 ILE HG23 H 1 0.835 0.02 . 1 . . . . . 59 I HG21 . 50579 1 628 . 1 . 1 59 59 ILE HD11 H 1 0.825 0.02 . 1 . . . . . 59 I HD11 . 50579 1 629 . 1 . 1 59 59 ILE HD12 H 1 0.825 0.02 . 1 . . . . . 59 I HD11 . 50579 1 630 . 1 . 1 59 59 ILE HD13 H 1 0.825 0.02 . 1 . . . . . 59 I HD11 . 50579 1 631 . 1 . 1 59 59 ILE C C 13 175.836 0.3 . 1 . . . . . 59 I C . 50579 1 632 . 1 . 1 59 59 ILE CA C 13 60.46 0.3 . 1 . . . . . 59 I CA . 50579 1 633 . 1 . 1 59 59 ILE CB C 13 39.216 0.3 . 1 . . . . . 59 I CB . 50579 1 634 . 1 . 1 59 59 ILE CG1 C 13 26.931 0.3 . 1 . . . . . 59 I CG1 . 50579 1 635 . 1 . 1 59 59 ILE CG2 C 13 17.688 0.3 . 1 . . . . . 59 I CG2 . 50579 1 636 . 1 . 1 59 59 ILE CD1 C 13 13.082 0.3 . 1 . . . . . 59 I CD1 . 50579 1 637 . 1 . 1 59 59 ILE N N 15 127.71 0.3 . 1 . . . . . 59 I N . 50579 1 638 . 1 . 1 60 60 THR H H 1 8.675 0.02 . 1 . . . . . 60 T HN . 50579 1 639 . 1 . 1 60 60 THR HA H 1 4.469 0.02 . 1 . . . . . 60 T HA . 50579 1 640 . 1 . 1 60 60 THR HB H 1 3.756 0.02 . 1 . . . . . 60 T HB . 50579 1 641 . 1 . 1 60 60 THR HG21 H 1 0.468 0.02 . 1 . . . . . 60 T HG21 . 50579 1 642 . 1 . 1 60 60 THR HG22 H 1 0.468 0.02 . 1 . . . . . 60 T HG21 . 50579 1 643 . 1 . 1 60 60 THR HG23 H 1 0.468 0.02 . 1 . . . . . 60 T HG21 . 50579 1 644 . 1 . 1 60 60 THR C C 13 173.852 0.3 . 1 . . . . . 60 T C . 50579 1 645 . 1 . 1 60 60 THR CA C 13 61.77 0.3 . 1 . . . . . 60 T CA . 50579 1 646 . 1 . 1 60 60 THR CB C 13 69.596 0.3 . 1 . . . . . 60 T CB . 50579 1 647 . 1 . 1 60 60 THR CG2 C 13 22.141 0.3 . 1 . . . . . 60 T CG2 . 50579 1 648 . 1 . 1 60 60 THR N N 15 126.01 0.3 . 1 . . . . . 60 T N . 50579 1 649 . 1 . 1 61 61 THR H H 1 8.655 0.02 . 1 . . . . . 61 T HN . 50579 1 650 . 1 . 1 61 61 THR HA H 1 4.426 0.02 . 1 . . . . . 61 T HA . 50579 1 651 . 1 . 1 61 61 THR HG21 H 1 1.051 0.02 . 1 . . . . . 61 T HG21 . 50579 1 652 . 1 . 1 61 61 THR HG22 H 1 1.051 0.02 . 1 . . . . . 61 T HG21 . 50579 1 653 . 1 . 1 61 61 THR HG23 H 1 1.051 0.02 . 1 . . . . . 61 T HG21 . 50579 1 654 . 1 . 1 61 61 THR C C 13 172.545 0.3 . 1 . . . . . 61 T C . 50579 1 655 . 1 . 1 61 61 THR CA C 13 61.43 0.3 . 1 . . . . . 61 T CA . 50579 1 656 . 1 . 1 61 61 THR CB C 13 70.79 0.3 . 1 . . . . . 61 T CB . 50579 1 657 . 1 . 1 61 61 THR CG2 C 13 21.557 0.3 . 1 . . . . . 61 T CG2 . 50579 1 658 . 1 . 1 61 61 THR N N 15 122.6 0.3 . 1 . . . . . 61 T N . 50579 1 659 . 1 . 1 62 62 TYR H H 1 8.899 0.02 . 1 . . . . . 62 Y HN . 50579 1 660 . 1 . 1 62 62 TYR HA H 1 4.878 0.02 . 1 . . . . . 62 Y HA . 50579 1 661 . 1 . 1 62 62 TYR HB2 H 1 2.862 0.02 . 2 . . . . . 62 Y HB1 . 50579 1 662 . 1 . 1 62 62 TYR HB3 H 1 2.862 0.02 . 2 . . . . . 62 Y HB2 . 50579 1 663 . 1 . 1 62 62 TYR C C 13 175.594 0.3 . 1 . . . . . 62 Y C . 50579 1 664 . 1 . 1 62 62 TYR CA C 13 57.98 0.3 . 1 . . . . . 62 Y CA . 50579 1 665 . 1 . 1 62 62 TYR CB C 13 41.6 0.3 . 1 . . . . . 62 Y CB . 50579 1 666 . 1 . 1 62 62 TYR N N 15 123.52 0.3 . 1 . . . . . 62 Y N . 50579 1 667 . 1 . 1 63 63 GLU H H 1 9.134 0.02 . 1 . . . . . 63 E HN . 50579 1 668 . 1 . 1 63 63 GLU HA H 1 4.582 0.02 . 1 . . . . . 63 E HA . 50579 1 669 . 1 . 1 63 63 GLU HB2 H 1 1.995 0.02 . 2 . . . . . 63 E HB1 . 50579 1 670 . 1 . 1 63 63 GLU HB3 H 1 1.995 0.02 . 2 . . . . . 63 E HB2 . 50579 1 671 . 1 . 1 63 63 GLU HG2 H 1 2.168 0.02 . 2 . . . . . 63 E HG1 . 50579 1 672 . 1 . 1 63 63 GLU HG3 H 1 2.168 0.02 . 2 . . . . . 63 E HG2 . 50579 1 673 . 1 . 1 63 63 GLU C C 13 175.207 0.3 . 1 . . . . . 63 E C . 50579 1 674 . 1 . 1 63 63 GLU CA C 13 55.71 0.3 . 1 . . . . . 63 E CA . 50579 1 675 . 1 . 1 63 63 GLU CB C 13 32.22 0.3 . 1 . . . . . 63 E CB . 50579 1 676 . 1 . 1 63 63 GLU CG C 13 36.393 0.3 . 1 . . . . . 63 E CG . 50579 1 677 . 1 . 1 63 63 GLU N N 15 122.7 0.3 . 1 . . . . . 63 E N . 50579 1 678 . 1 . 1 64 64 GLY H H 1 8.383 0.02 . 1 . . . . . 64 G HN . 50579 1 679 . 1 . 1 64 64 GLY HA2 H 1 3.724 0.02 . 2 . . . . . 64 G HA1 . 50579 1 680 . 1 . 1 64 64 GLY HA3 H 1 4.113 0.02 . 2 . . . . . 64 G HA2 . 50579 1 681 . 1 . 1 64 64 GLY C C 13 171.916 0.3 . 1 . . . . . 64 G C . 50579 1 682 . 1 . 1 64 64 GLY CA C 13 43.72 0.3 . 1 . . . . . 64 G CA . 50579 1 683 . 1 . 1 64 64 GLY N N 15 111.19 0.3 . 1 . . . . . 64 G N . 50579 1 684 . 1 . 1 65 65 LYS H H 1 7.897 0.02 . 1 . . . . . 65 K HN . 50579 1 685 . 1 . 1 65 65 LYS HA H 1 4.467 0.02 . 1 . . . . . 65 K HA . 50579 1 686 . 1 . 1 65 65 LYS HB2 H 1 1.554 0.02 . 2 . . . . . 65 K HB1 . 50579 1 687 . 1 . 1 65 65 LYS HB3 H 1 1.67 0.02 . 2 . . . . . 65 K HB2 . 50579 1 688 . 1 . 1 65 65 LYS HG2 H 1 1.387 0.02 . 2 . . . . . 65 K HG1 . 50579 1 689 . 1 . 1 65 65 LYS HG3 H 1 1.327 0.02 . 2 . . . . . 65 K HG2 . 50579 1 690 . 1 . 1 65 65 LYS HD2 H 1 1.645 0.02 . 2 . . . . . 65 K HD2 . 50579 1 691 . 1 . 1 65 65 LYS HE2 H 1 2.965 0.02 . 2 . . . . . 65 K HE1 . 50579 1 692 . 1 . 1 65 65 LYS HE3 H 1 2.965 0.02 . 2 . . . . . 65 K HE2 . 50579 1 693 . 1 . 1 65 65 LYS C C 13 176.223 0.3 . 1 . . . . . 65 K C . 50579 1 694 . 1 . 1 65 65 LYS CA C 13 53.92 0.3 . 1 . . . . . 65 K CA . 50579 1 695 . 1 . 1 65 65 LYS CB C 13 35.08 0.3 . 1 . . . . . 65 K CB . 50579 1 696 . 1 . 1 65 65 LYS CG C 13 24.541 0.3 . 1 . . . . . 65 K CG . 50579 1 697 . 1 . 1 65 65 LYS CD C 13 29.197 0.3 . 1 . . . . . 65 K CD . 50579 1 698 . 1 . 1 65 65 LYS CE C 13 42.741 0.3 . 1 . . . . . 65 K CE . 50579 1 699 . 1 . 1 65 65 LYS N N 15 118.17 0.3 . 1 . . . . . 65 K N . 50579 1 700 . 1 . 1 66 66 HIS H H 1 8.38 0.02 . 1 . . . . . 66 H HN . 50579 1 701 . 1 . 1 66 66 HIS HA H 1 4.69 0.02 . 1 . . . . . 66 H HA . 50579 1 702 . 1 . 1 66 66 HIS HB2 H 1 2.791 0.02 . 2 . . . . . 66 H HB1 . 50579 1 703 . 1 . 1 66 66 HIS HB3 H 1 2.791 0.02 . 2 . . . . . 66 H HB2 . 50579 1 704 . 1 . 1 66 66 HIS C C 13 176.804 0.3 . 1 . . . . . 66 H C . 50579 1 705 . 1 . 1 66 66 HIS CA C 13 57.18 0.3 . 1 . . . . . 66 H CA . 50579 1 706 . 1 . 1 66 66 HIS CB C 13 29.68 0.3 . 1 . . . . . 66 H CB . 50579 1 707 . 1 . 1 66 66 HIS N N 15 122.74 0.3 . 1 . . . . . 66 H N . 50579 1 708 . 1 . 1 67 67 ASN H H 1 8.338 0.02 . 1 . . . . . 67 N HN . 50579 1 709 . 1 . 1 67 67 ASN HA H 1 4.972 0.02 . 1 . . . . . 67 N HA . 50579 1 710 . 1 . 1 67 67 ASN HB2 H 1 3.37 0.02 . 2 . . . . . 67 N HB1 . 50579 1 711 . 1 . 1 67 67 ASN HB3 H 1 2.866 0.02 . 2 . . . . . 67 N HB2 . 50579 1 712 . 1 . 1 67 67 ASN C C 13 173.271 0.3 . 1 . . . . . 67 N C . 50579 1 713 . 1 . 1 67 67 ASN CA C 13 51.06 0.3 . 1 . . . . . 67 N CA . 50579 1 714 . 1 . 1 67 67 ASN CB C 13 36.8 0.3 . 1 . . . . . 67 N CB . 50579 1 715 . 1 . 1 67 67 ASN N N 15 123.51 0.3 . 1 . . . . . 67 N N . 50579 1 716 . 1 . 1 68 68 HIS H H 1 6.813 0.02 . 1 . . . . . 68 H HN . 50579 1 717 . 1 . 1 68 68 HIS HA H 1 4.838 0.02 . 1 . . . . . 68 H HA . 50579 1 718 . 1 . 1 68 68 HIS HB2 H 1 3.265 0.02 . 2 . . . . . 68 H HB1 . 50579 1 719 . 1 . 1 68 68 HIS HB3 H 1 3.317 0.02 . 2 . . . . . 68 H HB2 . 50579 1 720 . 1 . 1 68 68 HIS C C 13 173.174 0.3 . 1 . . . . . 68 H C . 50579 1 721 . 1 . 1 68 68 HIS CA C 13 53.03 0.3 . 1 . . . . . 68 H CA . 50579 1 722 . 1 . 1 68 68 HIS CB C 13 30.71 0.3 . 1 . . . . . 68 H CB . 50579 1 723 . 1 . 1 68 68 HIS N N 15 111.78 0.3 . 1 . . . . . 68 H N . 50579 1 724 . 1 . 1 69 69 ASP H H 1 8.872 0.02 . 1 . . . . . 69 D HN . 50579 1 725 . 1 . 1 69 69 ASP HA H 1 4.643 0.02 . 1 . . . . . 69 D HA . 50579 1 726 . 1 . 1 69 69 ASP HB2 H 1 2.725 0.02 . 2 . . . . . 69 D HB1 . 50579 1 727 . 1 . 1 69 69 ASP HB3 H 1 2.567 0.02 . 2 . . . . . 69 D HB2 . 50579 1 728 . 1 . 1 69 69 ASP C C 13 176.949 0.3 . 1 . . . . . 69 D C . 50579 1 729 . 1 . 1 69 69 ASP CA C 13 54.04 0.3 . 1 . . . . . 69 D CA . 50579 1 730 . 1 . 1 69 69 ASP CB C 13 41.85 0.3 . 1 . . . . . 69 D CB . 50579 1 731 . 1 . 1 69 69 ASP N N 15 120.25 0.3 . 1 . . . . . 69 D N . 50579 1 732 . 1 . 1 70 70 VAL H H 1 8.589 0.02 . 1 . . . . . 70 V HN . 50579 1 733 . 1 . 1 70 70 VAL HA H 1 3.841 0.02 . 1 . . . . . 70 V HA . 50579 1 734 . 1 . 1 70 70 VAL HB H 1 1.837 0.02 . 1 . . . . . 70 V HB . 50579 1 735 . 1 . 1 70 70 VAL HG11 H 1 0.647 0.02 . 2 . . . . . 70 V HG11 . 50579 1 736 . 1 . 1 70 70 VAL HG12 H 1 0.647 0.02 . 2 . . . . . 70 V HG11 . 50579 1 737 . 1 . 1 70 70 VAL HG13 H 1 0.647 0.02 . 2 . . . . . 70 V HG11 . 50579 1 738 . 1 . 1 70 70 VAL HG21 H 1 0.647 0.02 . 2 . . . . . 70 V HG21 . 50579 1 739 . 1 . 1 70 70 VAL HG22 H 1 0.647 0.02 . 2 . . . . . 70 V HG21 . 50579 1 740 . 1 . 1 70 70 VAL HG23 H 1 0.647 0.02 . 2 . . . . . 70 V HG21 . 50579 1 741 . 1 . 1 70 70 VAL CA C 13 60.81 0.3 . 1 . . . . . 70 V CA . 50579 1 742 . 1 . 1 70 70 VAL CB C 13 32.25 0.3 . 1 . . . . . 70 V CB . 50579 1 743 . 1 . 1 70 70 VAL CG1 C 13 20.539 0.3 . 1 . . . . . 70 V CG1 . 50579 1 744 . 1 . 1 70 70 VAL CG2 C 13 20.539 0.3 . 1 . . . . . 70 V CG2 . 50579 1 745 . 1 . 1 70 70 VAL N N 15 122.94 0.3 . 1 . . . . . 70 V N . 50579 1 746 . 1 . 1 71 71 PRO HA H 1 4.315 0.02 . 1 . . . . . 71 P HA . 50579 1 747 . 1 . 1 71 71 PRO HB2 H 1 1.777 0.02 . 2 . . . . . 71 P HB1 . 50579 1 748 . 1 . 1 71 71 PRO HB3 H 1 2.204 0.02 . 2 . . . . . 71 P HB2 . 50579 1 749 . 1 . 1 71 71 PRO HG2 H 1 1.906 0.02 . 2 . . . . . 71 P HG1 . 50579 1 750 . 1 . 1 71 71 PRO HG3 H 1 1.906 0.02 . 2 . . . . . 71 P HG2 . 50579 1 751 . 1 . 1 71 71 PRO HD2 H 1 3.556 0.02 . 2 . . . . . 71 P HD1 . 50579 1 752 . 1 . 1 71 71 PRO HD3 H 1 3.659 0.02 . 2 . . . . . 71 P HD2 . 50579 1 753 . 1 . 1 71 71 PRO C C 13 176.465 0.3 . 1 . . . . . 71 P C . 50579 1 754 . 1 . 1 71 71 PRO CA C 13 63.77 0.3 . 1 . . . . . 71 P CA . 50579 1 755 . 1 . 1 71 71 PRO CB C 13 31.88 0.3 . 1 . . . . . 71 P CB . 50579 1 756 . 1 . 1 71 71 PRO CG C 13 27.53 0.3 . 1 . . . . . 71 P CG . 50579 1 757 . 1 . 1 71 71 PRO CD C 13 51.245 0.3 . 1 . . . . . 71 P CD . 50579 1 758 . 1 . 1 72 72 ALA H H 1 8.139 0.02 . 1 . . . . . 72 A HN . 50579 1 759 . 1 . 1 72 72 ALA HA H 1 4.221 0.02 . 1 . . . . . 72 A HA . 50579 1 760 . 1 . 1 72 72 ALA HB1 H 1 1.305 0.02 . 1 . . . . . 72 A HB1 . 50579 1 761 . 1 . 1 72 72 ALA HB2 H 1 1.305 0.02 . 1 . . . . . 72 A HB1 . 50579 1 762 . 1 . 1 72 72 ALA HB3 H 1 1.305 0.02 . 1 . . . . . 72 A HB1 . 50579 1 763 . 1 . 1 72 72 ALA C C 13 177.723 0.3 . 1 . . . . . 72 A C . 50579 1 764 . 1 . 1 72 72 ALA CA C 13 52.44 0.3 . 1 . . . . . 72 A CA . 50579 1 765 . 1 . 1 72 72 ALA CB C 13 19.07 0.3 . 1 . . . . . 72 A CB . 50579 1 766 . 1 . 1 72 72 ALA N N 15 123.38 0.3 . 1 . . . . . 72 A N . 50579 1 stop_ save_