data_30231 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30231 _Entry.Title ; Solution structure of the oxidized iron-sulfur protein adrenodoxin from Encephalitozoon cuniculi. Seattle Structural Genomics Center for Infectious Disease target EncuA.00705.a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-01-17 _Entry.Accession_date 2017-01-17 _Entry.Last_release_date 2017-01-24 _Entry.Original_release_date 2017-01-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 G. Buchko G. W. . . 30231 2 SSGCID 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . . . . 30231 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'NIAID, National Institute of Allergy and Infectious Diseases' 'Seattle Structural Genomics Center for Infectious Disease' SSGCID 30231 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ELECTRON TRANSPORT' . 30231 SSGCID . 30231 'Seattle Structural Genomics Center for Infectious Disease' . 30231 'Structural Genomics' . 30231 'infectious diseases' . 30231 'iron-sulfur protein' . 30231 microsporidosis . 30231 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30231 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 443 30231 '15N chemical shifts' 107 30231 '1H chemical shifts' 591 30231 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 . . 2017-01-26 . original BMRB . 30231 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5UJ5 'BMRB Entry Tracking System' 30231 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30231 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the oxidized iron-sulfur protein andrenodoxin from Encephalitozoon cuniculi. ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 G. Buchko G. W. . . 30231 1 2 S. Hewitt S. N. . . 30231 1 3 W. 'Van Voorhis' W. C. . . 30231 1 4 P. Myler P. J. . . 30231 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30231 _Assembly.ID 1 _Assembly.Name Adrenodoxin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 entity_1 1 $entity_1 A A yes . . . . . . 30231 1 2 entity_2 2 $entity_FES B A no . . . . . . 30231 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30231 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPGSMDMFSAPDRIPEQIRI FFKTMKQVVPAKAVCGSTVL DVAHKNGVDLEGACEGNLAC STCHVILEEPLYRKLGEPSD KEYDLIDQAFGATGTSRLGC QLRVDKSFENAVFTVPRATK NMAVDGFKPKPH ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14377.485 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; The first four residues are part of the N-terminal tag used for NTA purification that remain after cleavage with HRV 3C protease. ; _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 . GLY . 30231 1 2 . PRO . 30231 1 3 . GLY . 30231 1 4 . SER . 30231 1 5 . MET . 30231 1 6 . ASP . 30231 1 7 . MET . 30231 1 8 . PHE . 30231 1 9 . SER . 30231 1 10 . ALA . 30231 1 11 . PRO . 30231 1 12 . ASP . 30231 1 13 . ARG . 30231 1 14 . ILE . 30231 1 15 . PRO . 30231 1 16 . GLU . 30231 1 17 . GLN . 30231 1 18 . ILE . 30231 1 19 . ARG . 30231 1 20 . ILE . 30231 1 21 . PHE . 30231 1 22 . PHE . 30231 1 23 . LYS . 30231 1 24 . THR . 30231 1 25 . MET . 30231 1 26 . LYS . 30231 1 27 . GLN . 30231 1 28 . VAL . 30231 1 29 . VAL . 30231 1 30 . PRO . 30231 1 31 . ALA . 30231 1 32 . LYS . 30231 1 33 . ALA . 30231 1 34 . VAL . 30231 1 35 . CYS . 30231 1 36 . GLY . 30231 1 37 . SER . 30231 1 38 . THR . 30231 1 39 . VAL . 30231 1 40 . LEU . 30231 1 41 . ASP . 30231 1 42 . VAL . 30231 1 43 . ALA . 30231 1 44 . HIS . 30231 1 45 . LYS . 30231 1 46 . ASN . 30231 1 47 . GLY . 30231 1 48 . VAL . 30231 1 49 . ASP . 30231 1 50 . LEU . 30231 1 51 . GLU . 30231 1 52 . GLY . 30231 1 53 . ALA . 30231 1 54 . CYS . 30231 1 55 . GLU . 30231 1 56 . GLY . 30231 1 57 . ASN . 30231 1 58 . LEU . 30231 1 59 . ALA . 30231 1 60 . CYS . 30231 1 61 . SER . 30231 1 62 . THR . 30231 1 63 . CYS . 30231 1 64 . HIS . 30231 1 65 . VAL . 30231 1 66 . ILE . 30231 1 67 . LEU . 30231 1 68 . GLU . 30231 1 69 . GLU . 30231 1 70 . PRO . 30231 1 71 . LEU . 30231 1 72 . TYR . 30231 1 73 . ARG . 30231 1 74 . LYS . 30231 1 75 . LEU . 30231 1 76 . GLY . 30231 1 77 . GLU . 30231 1 78 . PRO . 30231 1 79 . SER . 30231 1 80 . ASP . 30231 1 81 . LYS . 30231 1 82 . GLU . 30231 1 83 . TYR . 30231 1 84 . ASP . 30231 1 85 . LEU . 30231 1 86 . ILE . 30231 1 87 . ASP . 30231 1 88 . GLN . 30231 1 89 . ALA . 30231 1 90 . PHE . 30231 1 91 . GLY . 30231 1 92 . ALA . 30231 1 93 . THR . 30231 1 94 . GLY . 30231 1 95 . THR . 30231 1 96 . SER . 30231 1 97 . ARG . 30231 1 98 . LEU . 30231 1 99 . GLY . 30231 1 100 . CYS . 30231 1 101 . GLN . 30231 1 102 . LEU . 30231 1 103 . ARG . 30231 1 104 . VAL . 30231 1 105 . ASP . 30231 1 106 . LYS . 30231 1 107 . SER . 30231 1 108 . PHE . 30231 1 109 . GLU . 30231 1 110 . ASN . 30231 1 111 . ALA . 30231 1 112 . VAL . 30231 1 113 . PHE . 30231 1 114 . THR . 30231 1 115 . VAL . 30231 1 116 . PRO . 30231 1 117 . ARG . 30231 1 118 . ALA . 30231 1 119 . THR . 30231 1 120 . LYS . 30231 1 121 . ASN . 30231 1 122 . MET . 30231 1 123 . ALA . 30231 1 124 . VAL . 30231 1 125 . ASP . 30231 1 126 . GLY . 30231 1 127 . PHE . 30231 1 128 . LYS . 30231 1 129 . PRO . 30231 1 130 . LYS . 30231 1 131 . PRO . 30231 1 132 . HIS . 30231 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 30231 1 . PRO 2 2 30231 1 . GLY 3 3 30231 1 . SER 4 4 30231 1 . MET 5 5 30231 1 . ASP 6 6 30231 1 . MET 7 7 30231 1 . PHE 8 8 30231 1 . SER 9 9 30231 1 . ALA 10 10 30231 1 . PRO 11 11 30231 1 . ASP 12 12 30231 1 . ARG 13 13 30231 1 . ILE 14 14 30231 1 . PRO 15 15 30231 1 . GLU 16 16 30231 1 . GLN 17 17 30231 1 . ILE 18 18 30231 1 . ARG 19 19 30231 1 . ILE 20 20 30231 1 . PHE 21 21 30231 1 . PHE 22 22 30231 1 . LYS 23 23 30231 1 . THR 24 24 30231 1 . MET 25 25 30231 1 . LYS 26 26 30231 1 . GLN 27 27 30231 1 . VAL 28 28 30231 1 . VAL 29 29 30231 1 . PRO 30 30 30231 1 . ALA 31 31 30231 1 . LYS 32 32 30231 1 . ALA 33 33 30231 1 . VAL 34 34 30231 1 . CYS 35 35 30231 1 . GLY 36 36 30231 1 . SER 37 37 30231 1 . THR 38 38 30231 1 . VAL 39 39 30231 1 . LEU 40 40 30231 1 . ASP 41 41 30231 1 . VAL 42 42 30231 1 . ALA 43 43 30231 1 . HIS 44 44 30231 1 . LYS 45 45 30231 1 . ASN 46 46 30231 1 . GLY 47 47 30231 1 . VAL 48 48 30231 1 . ASP 49 49 30231 1 . LEU 50 50 30231 1 . GLU 51 51 30231 1 . GLY 52 52 30231 1 . ALA 53 53 30231 1 . CYS 54 54 30231 1 . GLU 55 55 30231 1 . GLY 56 56 30231 1 . ASN 57 57 30231 1 . LEU 58 58 30231 1 . ALA 59 59 30231 1 . CYS 60 60 30231 1 . SER 61 61 30231 1 . THR 62 62 30231 1 . CYS 63 63 30231 1 . HIS 64 64 30231 1 . VAL 65 65 30231 1 . ILE 66 66 30231 1 . LEU 67 67 30231 1 . GLU 68 68 30231 1 . GLU 69 69 30231 1 . PRO 70 70 30231 1 . LEU 71 71 30231 1 . TYR 72 72 30231 1 . ARG 73 73 30231 1 . LYS 74 74 30231 1 . LEU 75 75 30231 1 . GLY 76 76 30231 1 . GLU 77 77 30231 1 . PRO 78 78 30231 1 . SER 79 79 30231 1 . ASP 80 80 30231 1 . LYS 81 81 30231 1 . GLU 82 82 30231 1 . TYR 83 83 30231 1 . ASP 84 84 30231 1 . LEU 85 85 30231 1 . ILE 86 86 30231 1 . ASP 87 87 30231 1 . GLN 88 88 30231 1 . ALA 89 89 30231 1 . PHE 90 90 30231 1 . GLY 91 91 30231 1 . ALA 92 92 30231 1 . THR 93 93 30231 1 . GLY 94 94 30231 1 . THR 95 95 30231 1 . SER 96 96 30231 1 . ARG 97 97 30231 1 . LEU 98 98 30231 1 . GLY 99 99 30231 1 . CYS 100 100 30231 1 . GLN 101 101 30231 1 . LEU 102 102 30231 1 . ARG 103 103 30231 1 . VAL 104 104 30231 1 . ASP 105 105 30231 1 . LYS 106 106 30231 1 . SER 107 107 30231 1 . PHE 108 108 30231 1 . GLU 109 109 30231 1 . ASN 110 110 30231 1 . ALA 111 111 30231 1 . VAL 112 112 30231 1 . PHE 113 113 30231 1 . THR 114 114 30231 1 . VAL 115 115 30231 1 . PRO 116 116 30231 1 . ARG 117 117 30231 1 . ALA 118 118 30231 1 . THR 119 119 30231 1 . LYS 120 120 30231 1 . ASN 121 121 30231 1 . MET 122 122 30231 1 . ALA 123 123 30231 1 . VAL 124 124 30231 1 . ASP 125 125 30231 1 . GLY 126 126 30231 1 . PHE 127 127 30231 1 . LYS 128 128 30231 1 . PRO 129 129 30231 1 . LYS 130 130 30231 1 . PRO 131 131 30231 1 . HIS 132 132 30231 1 stop_ save_ save_entity_FES _Entity.Sf_category entity _Entity.Sf_framecode entity_FES _Entity.Entry_ID 30231 _Entity.ID 2 _Entity.BMRB_code FES _Entity.Name entity_FES _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 FES _Entity.Nonpolymer_comp_label $chem_comp_FES _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 175.820 _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 'FE2/S2 (INORGANIC) CLUSTER' BMRB 30231 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'FE2/S2 (INORGANIC) CLUSTER' BMRB 30231 2 FES 'Three letter code' 30231 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 FES $chem_comp_FES 30231 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30231 _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 . 6035 organism . 'Encephalitozoon cuniculi' 'Microsporidian parasite' . . Eukaryota Fungi Encephalitozoon cuniculi . . . . . . . . . . . ECU07_0600 . 30231 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30231 _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' . . 511693 Escherichia coli BL21 . . plasmid . . AVA0421 . . . 30231 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FES _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FES _Chem_comp.Entry_ID 30231 _Chem_comp.ID FES _Chem_comp.Provenance PDB _Chem_comp.Name 'FE2/S2 (INORGANIC) CLUSTER' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code FES _Chem_comp.PDB_code FES _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 FES _Chem_comp.Number_atoms_all 4 _Chem_comp.Number_atoms_nh 4 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/2Fe.2S _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 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'Fe2 S2' _Chem_comp.Formula_weight 175.820 _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 1CZP _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/2Fe.2S InChI InChI 1.03 30231 FES NIXDOXVAJZFRNF-UHFFFAOYSA-N InChIKey InChI 1.03 30231 FES S1[Fe]S[Fe]1 SMILES CACTVS 3.341 30231 FES S1[Fe]S[Fe]1 SMILES 'OpenEye OEToolkits' 1.5.0 30231 FES S1[Fe]S[Fe]1 SMILES_CANONICAL CACTVS 3.341 30231 FES S1[Fe]S[Fe]1 SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 30231 FES [Fe]1S[Fe]S1 SMILES ACDLabs 10.04 30231 FES 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 1,3-dithia-2$l^{2},4$l^{2}-diferracyclobutane 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 30231 FES di-mu-sulfidediiron 'SYSTEMATIC NAME' ACDLabs 10.04 30231 FES 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 FE1 FE1 FE1 FE1 . FE . . N 0 . . . 0 no no . . . . 16.237 . 5.409 . 27.398 . 0.000 -0.213 -1.531 1 . 30231 FES FE2 FE2 FE2 FE2 . FE . . N 0 . . . 0 no no . . . . 16.361 . 2.666 . 27.488 . 0.000 -0.213 1.531 2 . 30231 FES S1 S1 S1 S1 . S . . N 0 . . . 1 no no . . . . 17.422 . 4.079 . 28.829 . 1.461 0.372 0.000 3 . 30231 FES S2 S2 S2 S2 . S . . N 0 . . . 1 no no . . . . 15.380 . 3.919 . 25.972 . -1.461 0.372 0.000 4 . 30231 FES stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING FE1 S1 no N 1 . 30231 FES 2 . SING FE1 S2 no N 2 . 30231 FES 3 . SING FE2 S1 no N 3 . 30231 FES 4 . SING FE2 S2 no N 4 . 30231 FES stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30231 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100 mM sodium chloride, 20 mM TRIS, 1 mM DTT, 1 mM [U-99% 13C; U-99% 15N] E5, 93% H2O/7% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 DTT 'natural abundance' . . . . . . 1 . . mM 0.1 . . . 30231 1 2 E5 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM 0.2 . . . 30231 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 0.2 . . . 30231 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 2 . . . 30231 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 30231 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.12 . M 30231 1 pH 7 0.1 pH 30231 1 pressure 1 . atm 30231 1 temperature 293 0.5 K 30231 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30231 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30231 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30231 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30231 _Software.ID 2 _Software.Name Felix _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 30231 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30231 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30231 _Software.ID 3 _Software.Name PSVS _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 30231 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30231 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30231 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30231 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 30231 4 'peak picking' 30231 4 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 30231 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30231 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30231 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 30231 1 2 NMR_spectrometer_2 Varian VXRS . 750 . . . 30231 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30231 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30231 1 2 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30231 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30231 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30231 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30231 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30231 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30231 1 8 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30231 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30231 1 10 'deuterium exchange' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30231 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30231 1 12 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30231 1 13 '2D HBCBCGCDHD' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30231 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 30231 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30231 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30231 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30231 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 30231 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 '3D 1H-13C NOESY aliphatic' . . . 30231 1 2 '3D 1H-13C NOESY aromatic' . . . 30231 1 3 '3D HNCACB' . . . 30231 1 4 '3D 1H-15N NOESY' . . . 30231 1 5 '3D CBCA(CO)NH' . . . 30231 1 6 '2D 1H-15N HSQC' . . . 30231 1 7 '3D HNCO' . . . 30231 1 8 '2D 1H-13C HSQC aliphatic' . . . 30231 1 9 '2D 1H-13C HSQC aromatic' . . . 30231 1 10 'deuterium exchange' . . . 30231 1 11 '3D C(CO)NH' . . . 30231 1 12 '3D H(CCO)NH' . . . 30231 1 13 '2D HBCBCGCDHD' . . . 30231 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 PRO C C 13 177.4 0.2 . 1 . . . A 2 PRO C . 30231 1 2 . 1 1 2 2 PRO CA C 13 63.4 0.2 . 1 . . . A 2 PRO CA . 30231 1 3 . 1 1 2 2 PRO CB C 13 32.2 0.2 . 1 . . . A 2 PRO CB . 30231 1 4 . 1 1 3 3 GLY H H 1 8.72 0.02 . 1 . . . A 3 GLY H . 30231 1 5 . 1 1 3 3 GLY C C 13 174.3 0.2 . 1 . . . A 3 GLY C . 30231 1 6 . 1 1 3 3 GLY CA C 13 45.2 0.2 . 1 . . . A 3 GLY CA . 30231 1 7 . 1 1 3 3 GLY N N 15 110.1 0.2 . 1 . . . A 3 GLY N . 30231 1 8 . 1 1 4 4 SER H H 1 8.23 0.02 . 1 . . . A 4 SER H . 30231 1 9 . 1 1 4 4 SER CA C 13 58.5 0.2 . 1 . . . A 4 SER CA . 30231 1 10 . 1 1 4 4 SER CB C 13 63.7 0.2 . 1 . . . A 4 SER CB . 30231 1 11 . 1 1 4 4 SER N N 15 115.5 0.2 . 1 . . . A 4 SER N . 30231 1 12 . 1 1 5 5 MET H H 1 8.54 0.02 . 1 . . . A 5 MET H . 30231 1 13 . 1 1 5 5 MET C C 13 176.0 0.2 . 1 . . . A 5 MET C . 30231 1 14 . 1 1 5 5 MET CA C 13 55.5 0.2 . 1 . . . A 5 MET CA . 30231 1 15 . 1 1 5 5 MET CB C 13 32.6 0.2 . 1 . . . A 5 MET CB . 30231 1 16 . 1 1 5 5 MET N N 15 121.6 0.2 . 1 . . . A 5 MET N . 30231 1 17 . 1 1 6 6 ASP H H 1 8.30 0.02 . 1 . . . A 6 ASP H . 30231 1 18 . 1 1 6 6 ASP C C 13 176.3 0.2 . 1 . . . A 6 ASP C . 30231 1 19 . 1 1 6 6 ASP CA C 13 54.5 0.2 . 1 . . . A 6 ASP CA . 30231 1 20 . 1 1 6 6 ASP CB C 13 41.1 0.2 . 1 . . . A 6 ASP CB . 30231 1 21 . 1 1 6 6 ASP N N 15 121.1 0.2 . 1 . . . A 6 ASP N . 30231 1 22 . 1 1 7 7 MET H H 1 8.26 0.02 . 1 . . . A 7 MET H . 30231 1 23 . 1 1 7 7 MET CA C 13 55.8 0.2 . 1 . . . A 7 MET CA . 30231 1 24 . 1 1 7 7 MET CB C 13 32.3 0.2 . 1 . . . A 7 MET CB . 30231 1 25 . 1 1 7 7 MET N N 15 119.9 0.2 . 1 . . . A 7 MET N . 30231 1 26 . 1 1 8 8 PHE H H 1 8.23 0.02 . 1 . . . A 8 PHE H . 30231 1 27 . 1 1 8 8 PHE HD1 H 1 7.37 0.02 . 3 . . . A 8 PHE HD1 . 30231 1 28 . 1 1 8 8 PHE HD2 H 1 7.37 0.02 . 3 . . . A 8 PHE HD2 . 30231 1 29 . 1 1 8 8 PHE C C 13 175.6 0.2 . 1 . . . A 8 PHE C . 30231 1 30 . 1 1 8 8 PHE CA C 13 57.8 0.2 . 1 . . . A 8 PHE CA . 30231 1 31 . 1 1 8 8 PHE CB C 13 39.4 0.2 . 1 . . . A 8 PHE CB . 30231 1 32 . 1 1 8 8 PHE CD1 C 13 131.6 0.2 . 3 . . . A 8 PHE CD1 . 30231 1 33 . 1 1 8 8 PHE CD2 C 13 131.6 0.2 . 3 . . . A 8 PHE CD2 . 30231 1 34 . 1 1 8 8 PHE N N 15 120.1 0.2 . 1 . . . A 8 PHE N . 30231 1 35 . 1 1 9 9 SER H H 1 8.07 0.02 . 1 . . . A 9 SER H . 30231 1 36 . 1 1 9 9 SER C C 13 173.4 0.2 . 1 . . . A 9 SER C . 30231 1 37 . 1 1 9 9 SER CA C 13 57.9 0.2 . 1 . . . A 9 SER CA . 30231 1 38 . 1 1 9 9 SER CB C 13 63.9 0.2 . 1 . . . A 9 SER CB . 30231 1 39 . 1 1 9 9 SER N N 15 116.9 0.2 . 1 . . . A 9 SER N . 30231 1 40 . 1 1 10 10 ALA H H 1 8.28 0.02 . 1 . . . A 10 ALA H . 30231 1 41 . 1 1 10 10 ALA CA C 13 50.7 0.2 . 1 . . . A 10 ALA CA . 30231 1 42 . 1 1 10 10 ALA CB C 13 18.4 0.2 . 1 . . . A 10 ALA CB . 30231 1 43 . 1 1 10 10 ALA N N 15 126.8 0.2 . 1 . . . A 10 ALA N . 30231 1 44 . 1 1 12 12 ASP H H 1 8.38 0.02 . 1 . . . A 12 ASP H . 30231 1 45 . 1 1 12 12 ASP C C 13 175.9 0.2 . 1 . . . A 12 ASP C . 30231 1 46 . 1 1 12 12 ASP CA C 13 54.2 0.2 . 1 . . . A 12 ASP CA . 30231 1 47 . 1 1 12 12 ASP CB C 13 40.8 0.2 . 1 . . . A 12 ASP CB . 30231 1 48 . 1 1 12 12 ASP N N 15 118.8 0.2 . 1 . . . A 12 ASP N . 30231 1 49 . 1 1 13 13 ARG H H 1 8.07 0.02 . 1 . . . A 13 ARG H . 30231 1 50 . 1 1 13 13 ARG C C 13 175.8 0.2 . 1 . . . A 13 ARG C . 30231 1 51 . 1 1 13 13 ARG CA C 13 55.5 0.2 . 1 . . . A 13 ARG CA . 30231 1 52 . 1 1 13 13 ARG CB C 13 30.9 0.2 . 1 . . . A 13 ARG CB . 30231 1 53 . 1 1 13 13 ARG CG C 13 26.9 0.2 . 1 . . . A 13 ARG CG . 30231 1 54 . 1 1 13 13 ARG CD C 13 43.2 0.2 . 1 . . . A 13 ARG CD . 30231 1 55 . 1 1 13 13 ARG N N 15 120.2 0.2 . 1 . . . A 13 ARG N . 30231 1 56 . 1 1 14 14 ILE H H 1 8.29 0.02 . 1 . . . A 14 ILE H . 30231 1 57 . 1 1 14 14 ILE HB H 1 1.88 0.02 . 1 . . . A 14 ILE HB . 30231 1 58 . 1 1 14 14 ILE HG12 H 1 1.53 0.02 . 2 . . . A 14 ILE HG12 . 30231 1 59 . 1 1 14 14 ILE HG13 H 1 1.20 0.02 . 2 . . . A 14 ILE HG13 . 30231 1 60 . 1 1 14 14 ILE HG21 H 1 0.97 0.02 . 1 . . . A 14 ILE HG21 . 30231 1 61 . 1 1 14 14 ILE HG22 H 1 0.97 0.02 . 1 . . . A 14 ILE HG22 . 30231 1 62 . 1 1 14 14 ILE HG23 H 1 0.97 0.02 . 1 . . . A 14 ILE HG23 . 30231 1 63 . 1 1 14 14 ILE HD11 H 1 0.87 0.02 . 1 . . . A 14 ILE HD11 . 30231 1 64 . 1 1 14 14 ILE HD12 H 1 0.87 0.02 . 1 . . . A 14 ILE HD12 . 30231 1 65 . 1 1 14 14 ILE HD13 H 1 0.87 0.02 . 1 . . . A 14 ILE HD13 . 30231 1 66 . 1 1 14 14 ILE CB C 13 38.3 0.2 . 1 . . . A 14 ILE CB . 30231 1 67 . 1 1 14 14 ILE CG1 C 13 26.9 0.2 . 1 . . . A 14 ILE CG1 . 30231 1 68 . 1 1 14 14 ILE CG2 C 13 16.9 0.2 . 1 . . . A 14 ILE CG2 . 30231 1 69 . 1 1 14 14 ILE CD1 C 13 12.5 0.2 . 1 . . . A 14 ILE CD1 . 30231 1 70 . 1 1 14 14 ILE N N 15 124.3 0.2 . 1 . . . A 14 ILE N . 30231 1 71 . 1 1 15 15 PRO HA H 1 4.42 0.02 . 1 . . . A 15 PRO HA . 30231 1 72 . 1 1 15 15 PRO HB2 H 1 2.31 0.02 . 2 . . . A 15 PRO HB2 . 30231 1 73 . 1 1 15 15 PRO HB3 H 1 1.91 0.02 . 2 . . . A 15 PRO HB3 . 30231 1 74 . 1 1 15 15 PRO HG2 H 1 2.04 0.02 . 2 . . . A 15 PRO HG2 . 30231 1 75 . 1 1 15 15 PRO HG3 H 1 1.98 0.02 . 2 . . . A 15 PRO HG3 . 30231 1 76 . 1 1 15 15 PRO HD2 H 1 3.91 0.02 . 2 . . . A 15 PRO HD2 . 30231 1 77 . 1 1 15 15 PRO HD3 H 1 3.68 0.02 . 2 . . . A 15 PRO HD3 . 30231 1 78 . 1 1 15 15 PRO CA C 13 62.8 0.2 . 1 . . . A 15 PRO CA . 30231 1 79 . 1 1 15 15 PRO CB C 13 32.3 0.2 . 1 . . . A 15 PRO CB . 30231 1 80 . 1 1 15 15 PRO CG C 13 27.3 0.2 . 1 . . . A 15 PRO CG . 30231 1 81 . 1 1 15 15 PRO CD C 13 50.9 0.2 . 1 . . . A 15 PRO CD . 30231 1 82 . 1 1 16 16 GLU H H 1 8.56 0.02 . 1 . . . A 16 GLU H . 30231 1 83 . 1 1 16 16 GLU HA H 1 4.25 0.02 . 1 . . . A 16 GLU HA . 30231 1 84 . 1 1 16 16 GLU HB2 H 1 2.02 0.02 . 2 . . . A 16 GLU HB2 . 30231 1 85 . 1 1 16 16 GLU HB3 H 1 2.02 0.02 . 2 . . . A 16 GLU HB3 . 30231 1 86 . 1 1 16 16 GLU HG2 H 1 2.35 0.02 . 2 . . . A 16 GLU HG2 . 30231 1 87 . 1 1 16 16 GLU HG3 H 1 2.26 0.02 . 2 . . . A 16 GLU HG3 . 30231 1 88 . 1 1 16 16 GLU C C 13 175.5 0.2 . 1 . . . A 16 GLU C . 30231 1 89 . 1 1 16 16 GLU CA C 13 56.8 0.2 . 1 . . . A 16 GLU CA . 30231 1 90 . 1 1 16 16 GLU CB C 13 30.4 0.2 . 1 . . . A 16 GLU CB . 30231 1 91 . 1 1 16 16 GLU CG C 13 36.5 0.2 . 1 . . . A 16 GLU CG . 30231 1 92 . 1 1 16 16 GLU N N 15 121.6 0.2 . 1 . . . A 16 GLU N . 30231 1 93 . 1 1 17 17 GLN H H 1 8.44 0.02 . 1 . . . A 17 GLN H . 30231 1 94 . 1 1 17 17 GLN HA H 1 5.06 0.02 . 1 . . . A 17 GLN HA . 30231 1 95 . 1 1 17 17 GLN HB2 H 1 1.88 0.02 . 2 . . . A 17 GLN HB2 . 30231 1 96 . 1 1 17 17 GLN HB3 H 1 1.88 0.02 . 2 . . . A 17 GLN HB3 . 30231 1 97 . 1 1 17 17 GLN HG2 H 1 2.29 0.02 . 2 . . . A 17 GLN HG2 . 30231 1 98 . 1 1 17 17 GLN HG3 H 1 2.11 0.02 . 2 . . . A 17 GLN HG3 . 30231 1 99 . 1 1 17 17 GLN HE21 H 1 7.46 0.02 . 2 . . . A 17 GLN HE21 . 30231 1 100 . 1 1 17 17 GLN HE22 H 1 6.81 0.02 . 2 . . . A 17 GLN HE22 . 30231 1 101 . 1 1 17 17 GLN C C 13 175.3 0.2 . 1 . . . A 17 GLN C . 30231 1 102 . 1 1 17 17 GLN CA C 13 54.5 0.2 . 1 . . . A 17 GLN CA . 30231 1 103 . 1 1 17 17 GLN CB C 13 31.2 0.2 . 1 . . . A 17 GLN CB . 30231 1 104 . 1 1 17 17 GLN CG C 13 34.3 0.2 . 1 . . . A 17 GLN CG . 30231 1 105 . 1 1 17 17 GLN N N 15 121.4 0.2 . 1 . . . A 17 GLN N . 30231 1 106 . 1 1 17 17 GLN NE2 N 15 110.9 0.2 . 1 . . . A 17 GLN NE2 . 30231 1 107 . 1 1 18 18 ILE H H 1 8.94 0.02 . 1 . . . A 18 ILE H . 30231 1 108 . 1 1 18 18 ILE HA H 1 4.64 0.02 . 1 . . . A 18 ILE HA . 30231 1 109 . 1 1 18 18 ILE HB H 1 1.75 0.02 . 1 . . . A 18 ILE HB . 30231 1 110 . 1 1 18 18 ILE HG12 H 1 1.18 0.02 . 2 . . . A 18 ILE HG12 . 30231 1 111 . 1 1 18 18 ILE HG13 H 1 1.00 0.02 . 2 . . . A 18 ILE HG13 . 30231 1 112 . 1 1 18 18 ILE HG21 H 1 0.78 0.02 . 1 . . . A 18 ILE HG21 . 30231 1 113 . 1 1 18 18 ILE HG22 H 1 0.78 0.02 . 1 . . . A 18 ILE HG22 . 30231 1 114 . 1 1 18 18 ILE HG23 H 1 0.78 0.02 . 1 . . . A 18 ILE HG23 . 30231 1 115 . 1 1 18 18 ILE HD11 H 1 0.60 0.02 . 1 . . . A 18 ILE HD11 . 30231 1 116 . 1 1 18 18 ILE HD12 H 1 0.60 0.02 . 1 . . . A 18 ILE HD12 . 30231 1 117 . 1 1 18 18 ILE HD13 H 1 0.60 0.02 . 1 . . . A 18 ILE HD13 . 30231 1 118 . 1 1 18 18 ILE C C 13 174.1 0.2 . 1 . . . A 18 ILE C . 30231 1 119 . 1 1 18 18 ILE CA C 13 59.0 0.2 . 1 . . . A 18 ILE CA . 30231 1 120 . 1 1 18 18 ILE CB C 13 42.2 0.2 . 1 . . . A 18 ILE CB . 30231 1 121 . 1 1 18 18 ILE CG1 C 13 26.4 0.2 . 1 . . . A 18 ILE CG1 . 30231 1 122 . 1 1 18 18 ILE CG2 C 13 18.0 0.2 . 1 . . . A 18 ILE CG2 . 30231 1 123 . 1 1 18 18 ILE CD1 C 13 14.4 0.2 . 1 . . . A 18 ILE CD1 . 30231 1 124 . 1 1 18 18 ILE N N 15 120.0 0.2 . 1 . . . A 18 ILE N . 30231 1 125 . 1 1 19 19 ARG H H 1 8.76 0.02 . 1 . . . A 19 ARG H . 30231 1 126 . 1 1 19 19 ARG HA H 1 5.00 0.02 . 1 . . . A 19 ARG HA . 30231 1 127 . 1 1 19 19 ARG HB2 H 1 1.84 0.02 . 2 . . . A 19 ARG HB2 . 30231 1 128 . 1 1 19 19 ARG HB3 H 1 1.64 0.02 . 2 . . . A 19 ARG HB3 . 30231 1 129 . 1 1 19 19 ARG HG2 H 1 1.30 0.02 . 2 . . . A 19 ARG HG2 . 30231 1 130 . 1 1 19 19 ARG HG3 H 1 1.02 0.02 . 2 . . . A 19 ARG HG3 . 30231 1 131 . 1 1 19 19 ARG HD2 H 1 3.02 0.02 . 2 . . . A 19 ARG HD2 . 30231 1 132 . 1 1 19 19 ARG HD3 H 1 2.82 0.02 . 2 . . . A 19 ARG HD3 . 30231 1 133 . 1 1 19 19 ARG C C 13 175.6 0.2 . 1 . . . A 19 ARG C . 30231 1 134 . 1 1 19 19 ARG CA C 13 55.3 0.2 . 1 . . . A 19 ARG CA . 30231 1 135 . 1 1 19 19 ARG CB C 13 31.3 0.2 . 1 . . . A 19 ARG CB . 30231 1 136 . 1 1 19 19 ARG CG C 13 26.8 0.2 . 1 . . . A 19 ARG CG . 30231 1 137 . 1 1 19 19 ARG CD C 13 43.4 0.2 . 1 . . . A 19 ARG CD . 30231 1 138 . 1 1 19 19 ARG N N 15 125.2 0.2 . 1 . . . A 19 ARG N . 30231 1 139 . 1 1 20 20 ILE H H 1 8.29 0.02 . 1 . . . A 20 ILE H . 30231 1 140 . 1 1 20 20 ILE HA H 1 4.74 0.02 . 1 . . . A 20 ILE HA . 30231 1 141 . 1 1 20 20 ILE HB H 1 2.15 0.02 . 1 . . . A 20 ILE HB . 30231 1 142 . 1 1 20 20 ILE HG12 H 1 1.05 0.02 . 2 . . . A 20 ILE HG12 . 30231 1 143 . 1 1 20 20 ILE HG13 H 1 0.82 0.02 . 2 . . . A 20 ILE HG13 . 30231 1 144 . 1 1 20 20 ILE HG21 H 1 1.10 0.02 . 1 . . . A 20 ILE HG21 . 30231 1 145 . 1 1 20 20 ILE HG22 H 1 1.10 0.02 . 1 . . . A 20 ILE HG22 . 30231 1 146 . 1 1 20 20 ILE HG23 H 1 1.10 0.02 . 1 . . . A 20 ILE HG23 . 30231 1 147 . 1 1 20 20 ILE HD11 H 1 0.57 0.02 . 1 . . . A 20 ILE HD11 . 30231 1 148 . 1 1 20 20 ILE HD12 H 1 0.57 0.02 . 1 . . . A 20 ILE HD12 . 30231 1 149 . 1 1 20 20 ILE HD13 H 1 0.57 0.02 . 1 . . . A 20 ILE HD13 . 30231 1 150 . 1 1 20 20 ILE C C 13 172.3 0.2 . 1 . . . A 20 ILE C . 30231 1 151 . 1 1 20 20 ILE CA C 13 59.5 0.2 . 1 . . . A 20 ILE CA . 30231 1 152 . 1 1 20 20 ILE CB C 13 41.7 0.2 . 1 . . . A 20 ILE CB . 30231 1 153 . 1 1 20 20 ILE CG1 C 13 24.9 0.2 . 1 . . . A 20 ILE CG1 . 30231 1 154 . 1 1 20 20 ILE CG2 C 13 17.7 0.2 . 1 . . . A 20 ILE CG2 . 30231 1 155 . 1 1 20 20 ILE CD1 C 13 13.8 0.2 . 1 . . . A 20 ILE CD1 . 30231 1 156 . 1 1 20 20 ILE N N 15 117.7 0.2 . 1 . . . A 20 ILE N . 30231 1 157 . 1 1 21 21 PHE H H 1 9.12 0.02 . 1 . . . A 21 PHE H . 30231 1 158 . 1 1 21 21 PHE HA H 1 5.57 0.02 . 1 . . . A 21 PHE HA . 30231 1 159 . 1 1 21 21 PHE HB2 H 1 2.78 0.02 . 2 . . . A 21 PHE HB2 . 30231 1 160 . 1 1 21 21 PHE HB3 H 1 2.73 0.02 . 2 . . . A 21 PHE HB3 . 30231 1 161 . 1 1 21 21 PHE C C 13 175.1 0.2 . 1 . . . A 21 PHE C . 30231 1 162 . 1 1 21 21 PHE CA C 13 56.2 0.2 . 1 . . . A 21 PHE CA . 30231 1 163 . 1 1 21 21 PHE CB C 13 43.0 0.2 . 1 . . . A 21 PHE CB . 30231 1 164 . 1 1 21 21 PHE N N 15 115.2 0.2 . 1 . . . A 21 PHE N . 30231 1 165 . 1 1 22 22 PHE H H 1 9.26 0.02 . 1 . . . A 22 PHE H . 30231 1 166 . 1 1 22 22 PHE HA H 1 5.77 0.02 . 1 . . . A 22 PHE HA . 30231 1 167 . 1 1 22 22 PHE HB2 H 1 2.91 0.02 . 2 . . . A 22 PHE HB2 . 30231 1 168 . 1 1 22 22 PHE HB3 H 1 2.85 0.02 . 2 . . . A 22 PHE HB3 . 30231 1 169 . 1 1 22 22 PHE HD1 H 1 7.10 0.02 . 3 . . . A 22 PHE HD1 . 30231 1 170 . 1 1 22 22 PHE HD2 H 1 7.10 0.02 . 3 . . . A 22 PHE HD2 . 30231 1 171 . 1 1 22 22 PHE HE1 H 1 6.77 0.02 . 3 . . . A 22 PHE HE1 . 30231 1 172 . 1 1 22 22 PHE HE2 H 1 6.77 0.02 . 3 . . . A 22 PHE HE2 . 30231 1 173 . 1 1 22 22 PHE C C 13 174.8 0.2 . 1 . . . A 22 PHE C . 30231 1 174 . 1 1 22 22 PHE CA C 13 56.3 0.2 . 1 . . . A 22 PHE CA . 30231 1 175 . 1 1 22 22 PHE CB C 13 42.1 0.2 . 1 . . . A 22 PHE CB . 30231 1 176 . 1 1 22 22 PHE CD1 C 13 132.4 0.2 . 3 . . . A 22 PHE CD1 . 30231 1 177 . 1 1 22 22 PHE CD2 C 13 132.4 0.2 . 3 . . . A 22 PHE CD2 . 30231 1 178 . 1 1 22 22 PHE CE1 C 13 129.9 0.2 . 3 . . . A 22 PHE CE1 . 30231 1 179 . 1 1 22 22 PHE CE2 C 13 129.9 0.2 . 3 . . . A 22 PHE CE2 . 30231 1 180 . 1 1 22 22 PHE N N 15 117.9 0.2 . 1 . . . A 22 PHE N . 30231 1 181 . 1 1 23 23 LYS H H 1 9.32 0.02 . 1 . . . A 23 LYS H . 30231 1 182 . 1 1 23 23 LYS HA H 1 5.20 0.02 . 1 . . . A 23 LYS HA . 30231 1 183 . 1 1 23 23 LYS HB2 H 1 2.01 0.02 . 2 . . . A 23 LYS HB2 . 30231 1 184 . 1 1 23 23 LYS HB3 H 1 1.37 0.02 . 2 . . . A 23 LYS HB3 . 30231 1 185 . 1 1 23 23 LYS HG2 H 1 1.33 0.02 . 2 . . . A 23 LYS HG2 . 30231 1 186 . 1 1 23 23 LYS HG3 H 1 1.27 0.02 . 2 . . . A 23 LYS HG3 . 30231 1 187 . 1 1 23 23 LYS HD2 H 1 1.60 0.02 . 2 . . . A 23 LYS HD2 . 30231 1 188 . 1 1 23 23 LYS HD3 H 1 1.57 0.02 . 2 . . . A 23 LYS HD3 . 30231 1 189 . 1 1 23 23 LYS C C 13 174.9 0.2 . 1 . . . A 23 LYS C . 30231 1 190 . 1 1 23 23 LYS CA C 13 55.4 0.2 . 1 . . . A 23 LYS CA . 30231 1 191 . 1 1 23 23 LYS CB C 13 34.2 0.2 . 1 . . . A 23 LYS CB . 30231 1 192 . 1 1 23 23 LYS CG C 13 25.0 0.2 . 1 . . . A 23 LYS CG . 30231 1 193 . 1 1 23 23 LYS CD C 13 29.3 0.2 . 1 . . . A 23 LYS CD . 30231 1 194 . 1 1 23 23 LYS N N 15 126.1 0.2 . 1 . . . A 23 LYS N . 30231 1 195 . 1 1 24 24 THR H H 1 8.76 0.02 . 1 . . . A 24 THR H . 30231 1 196 . 1 1 24 24 THR HA H 1 4.93 0.02 . 1 . . . A 24 THR HA . 30231 1 197 . 1 1 24 24 THR HB H 1 4.57 0.02 . 1 . . . A 24 THR HB . 30231 1 198 . 1 1 24 24 THR HG21 H 1 1.31 0.02 . 1 . . . A 24 THR HG21 . 30231 1 199 . 1 1 24 24 THR HG22 H 1 1.31 0.02 . 1 . . . A 24 THR HG22 . 30231 1 200 . 1 1 24 24 THR HG23 H 1 1.31 0.02 . 1 . . . A 24 THR HG23 . 30231 1 201 . 1 1 24 24 THR C C 13 174.3 0.2 . 1 . . . A 24 THR C . 30231 1 202 . 1 1 24 24 THR CA C 13 59.6 0.2 . 1 . . . A 24 THR CA . 30231 1 203 . 1 1 24 24 THR CB C 13 70.3 0.2 . 1 . . . A 24 THR CB . 30231 1 204 . 1 1 24 24 THR CG2 C 13 20.6 0.2 . 1 . . . A 24 THR CG2 . 30231 1 205 . 1 1 24 24 THR N N 15 119.8 0.2 . 1 . . . A 24 THR N . 30231 1 206 . 1 1 25 25 MET H H 1 9.15 0.02 . 1 . . . A 25 MET H . 30231 1 207 . 1 1 25 25 MET HA H 1 4.19 0.02 . 1 . . . A 25 MET HA . 30231 1 208 . 1 1 25 25 MET HB2 H 1 2.75 0.02 . 2 . . . A 25 MET HB2 . 30231 1 209 . 1 1 25 25 MET HB3 H 1 2.67 0.02 . 2 . . . A 25 MET HB3 . 30231 1 210 . 1 1 25 25 MET HE1 H 1 2.15 0.02 . 1 . . . A 25 MET HE1 . 30231 1 211 . 1 1 25 25 MET HE2 H 1 2.15 0.02 . 1 . . . A 25 MET HE2 . 30231 1 212 . 1 1 25 25 MET HE3 H 1 2.15 0.02 . 1 . . . A 25 MET HE3 . 30231 1 213 . 1 1 25 25 MET C C 13 176.5 0.2 . 1 . . . A 25 MET C . 30231 1 214 . 1 1 25 25 MET CA C 13 57.6 0.2 . 1 . . . A 25 MET CA . 30231 1 215 . 1 1 25 25 MET CB C 13 32.2 0.2 . 1 . . . A 25 MET CB . 30231 1 216 . 1 1 25 25 MET CE C 13 16.9 0.2 . 1 . . . A 25 MET CE . 30231 1 217 . 1 1 25 25 MET N N 15 120.7 0.2 . 1 . . . A 25 MET N . 30231 1 218 . 1 1 26 26 LYS H H 1 8.30 0.02 . 1 . . . A 26 LYS H . 30231 1 219 . 1 1 26 26 LYS C C 13 176.0 0.2 . 1 . . . A 26 LYS C . 30231 1 220 . 1 1 26 26 LYS CA C 13 56.9 0.2 . 1 . . . A 26 LYS CA . 30231 1 221 . 1 1 26 26 LYS CB C 13 33.5 0.2 . 1 . . . A 26 LYS CB . 30231 1 222 . 1 1 26 26 LYS CG C 13 25.1 0.2 . 1 . . . A 26 LYS CG . 30231 1 223 . 1 1 26 26 LYS CD C 13 29.0 0.2 . 1 . . . A 26 LYS CD . 30231 1 224 . 1 1 26 26 LYS N N 15 115.4 0.2 . 1 . . . A 26 LYS N . 30231 1 225 . 1 1 27 27 GLN H H 1 7.91 0.02 . 1 . . . A 27 GLN H . 30231 1 226 . 1 1 27 27 GLN HA H 1 4.73 0.02 . 1 . . . A 27 GLN HA . 30231 1 227 . 1 1 27 27 GLN HB2 H 1 2.20 0.02 . 2 . . . A 27 GLN HB2 . 30231 1 228 . 1 1 27 27 GLN HB3 H 1 2.08 0.02 . 2 . . . A 27 GLN HB3 . 30231 1 229 . 1 1 27 27 GLN HG2 H 1 2.29 0.02 . 2 . . . A 27 GLN HG2 . 30231 1 230 . 1 1 27 27 GLN HG3 H 1 2.29 0.02 . 2 . . . A 27 GLN HG3 . 30231 1 231 . 1 1 27 27 GLN HE21 H 1 7.52 0.02 . 2 . . . A 27 GLN HE21 . 30231 1 232 . 1 1 27 27 GLN HE22 H 1 7.00 0.02 . 2 . . . A 27 GLN HE22 . 30231 1 233 . 1 1 27 27 GLN C C 13 174.1 0.2 . 1 . . . A 27 GLN C . 30231 1 234 . 1 1 27 27 GLN CA C 13 55.2 0.2 . 1 . . . A 27 GLN CA . 30231 1 235 . 1 1 27 27 GLN CB C 13 31.5 0.2 . 1 . . . A 27 GLN CB . 30231 1 236 . 1 1 27 27 GLN CG C 13 33.2 0.2 . 1 . . . A 27 GLN CG . 30231 1 237 . 1 1 27 27 GLN N N 15 117.2 0.2 . 1 . . . A 27 GLN N . 30231 1 238 . 1 1 27 27 GLN NE2 N 15 111.6 0.2 . 1 . . . A 27 GLN NE2 . 30231 1 239 . 1 1 28 28 VAL H H 1 8.69 0.02 . 1 . . . A 28 VAL H . 30231 1 240 . 1 1 28 28 VAL HB H 1 2.02 0.02 . 1 . . . A 28 VAL HB . 30231 1 241 . 1 1 28 28 VAL HG11 H 1 0.84 0.02 . 2 . . . A 28 VAL HG11 . 30231 1 242 . 1 1 28 28 VAL HG12 H 1 0.84 0.02 . 2 . . . A 28 VAL HG12 . 30231 1 243 . 1 1 28 28 VAL HG13 H 1 0.84 0.02 . 2 . . . A 28 VAL HG13 . 30231 1 244 . 1 1 28 28 VAL HG21 H 1 0.92 0.02 . 2 . . . A 28 VAL HG21 . 30231 1 245 . 1 1 28 28 VAL HG22 H 1 0.92 0.02 . 2 . . . A 28 VAL HG22 . 30231 1 246 . 1 1 28 28 VAL HG23 H 1 0.92 0.02 . 2 . . . A 28 VAL HG23 . 30231 1 247 . 1 1 28 28 VAL C C 13 176.0 0.2 . 1 . . . A 28 VAL C . 30231 1 248 . 1 1 28 28 VAL CA C 13 62.2 0.2 . 1 . . . A 28 VAL CA . 30231 1 249 . 1 1 28 28 VAL CB C 13 32.3 0.2 . 1 . . . A 28 VAL CB . 30231 1 250 . 1 1 28 28 VAL CG1 C 13 21.7 0.2 . 2 . . . A 28 VAL CG1 . 30231 1 251 . 1 1 28 28 VAL CG2 C 13 21.2 0.2 . 2 . . . A 28 VAL CG2 . 30231 1 252 . 1 1 28 28 VAL N N 15 122.8 0.2 . 1 . . . A 28 VAL N . 30231 1 253 . 1 1 29 29 VAL H H 1 9.73 0.02 . 1 . . . A 29 VAL H . 30231 1 254 . 1 1 29 29 VAL HB H 1 2.33 0.02 . 1 . . . A 29 VAL HB . 30231 1 255 . 1 1 29 29 VAL HG11 H 1 1.08 0.02 . 2 . . . A 29 VAL HG11 . 30231 1 256 . 1 1 29 29 VAL HG12 H 1 1.08 0.02 . 2 . . . A 29 VAL HG12 . 30231 1 257 . 1 1 29 29 VAL HG13 H 1 1.08 0.02 . 2 . . . A 29 VAL HG13 . 30231 1 258 . 1 1 29 29 VAL HG21 H 1 1.08 0.02 . 2 . . . A 29 VAL HG21 . 30231 1 259 . 1 1 29 29 VAL HG22 H 1 1.08 0.02 . 2 . . . A 29 VAL HG22 . 30231 1 260 . 1 1 29 29 VAL HG23 H 1 1.08 0.02 . 2 . . . A 29 VAL HG23 . 30231 1 261 . 1 1 29 29 VAL CA C 13 59.1 0.2 . 1 . . . A 29 VAL CA . 30231 1 262 . 1 1 29 29 VAL CB C 13 34.8 0.2 . 1 . . . A 29 VAL CB . 30231 1 263 . 1 1 29 29 VAL CG1 C 13 20.4 0.2 . 2 . . . A 29 VAL CG1 . 30231 1 264 . 1 1 29 29 VAL CG2 C 13 20.4 0.2 . 2 . . . A 29 VAL CG2 . 30231 1 265 . 1 1 29 29 VAL N N 15 128.9 0.2 . 1 . . . A 29 VAL N . 30231 1 266 . 1 1 30 30 PRO HA H 1 4.67 0.02 . 1 . . . A 30 PRO HA . 30231 1 267 . 1 1 30 30 PRO HB2 H 1 2.12 0.02 . 2 . . . A 30 PRO HB2 . 30231 1 268 . 1 1 30 30 PRO HB3 H 1 1.88 0.02 . 2 . . . A 30 PRO HB3 . 30231 1 269 . 1 1 30 30 PRO HG2 H 1 2.28 0.02 . 2 . . . A 30 PRO HG2 . 30231 1 270 . 1 1 30 30 PRO HG3 H 1 2.22 0.02 . 2 . . . A 30 PRO HG3 . 30231 1 271 . 1 1 30 30 PRO HD2 H 1 4.17 0.02 . 2 . . . A 30 PRO HD2 . 30231 1 272 . 1 1 30 30 PRO HD3 H 1 4.03 0.02 . 2 . . . A 30 PRO HD3 . 30231 1 273 . 1 1 30 30 PRO C C 13 175.4 0.2 . 1 . . . A 30 PRO C . 30231 1 274 . 1 1 30 30 PRO CA C 13 61.7 0.2 . 1 . . . A 30 PRO CA . 30231 1 275 . 1 1 30 30 PRO CB C 13 32.1 0.2 . 1 . . . A 30 PRO CB . 30231 1 276 . 1 1 30 30 PRO CG C 13 26.9 0.2 . 1 . . . A 30 PRO CG . 30231 1 277 . 1 1 30 30 PRO CD C 13 51.0 0.2 . 1 . . . A 30 PRO CD . 30231 1 278 . 1 1 31 31 ALA H H 1 9.01 0.02 . 1 . . . A 31 ALA H . 30231 1 279 . 1 1 31 31 ALA HA H 1 4.60 0.02 . 1 . . . A 31 ALA HA . 30231 1 280 . 1 1 31 31 ALA HB1 H 1 1.20 0.02 . 1 . . . A 31 ALA HB1 . 30231 1 281 . 1 1 31 31 ALA HB2 H 1 1.20 0.02 . 1 . . . A 31 ALA HB2 . 30231 1 282 . 1 1 31 31 ALA HB3 H 1 1.20 0.02 . 1 . . . A 31 ALA HB3 . 30231 1 283 . 1 1 31 31 ALA C C 13 175.3 0.2 . 1 . . . A 31 ALA C . 30231 1 284 . 1 1 31 31 ALA CA C 13 50.5 0.2 . 1 . . . A 31 ALA CA . 30231 1 285 . 1 1 31 31 ALA CB C 13 22.2 0.2 . 1 . . . A 31 ALA CB . 30231 1 286 . 1 1 31 31 ALA N N 15 123.4 0.2 . 1 . . . A 31 ALA N . 30231 1 287 . 1 1 32 32 LYS H H 1 8.05 0.02 . 1 . . . A 32 LYS H . 30231 1 288 . 1 1 32 32 LYS HA H 1 4.58 0.02 . 1 . . . A 32 LYS HA . 30231 1 289 . 1 1 32 32 LYS HB2 H 1 1.74 0.02 . 2 . . . A 32 LYS HB2 . 30231 1 290 . 1 1 32 32 LYS HB3 H 1 1.64 0.02 . 2 . . . A 32 LYS HB3 . 30231 1 291 . 1 1 32 32 LYS HG2 H 1 1.45 0.02 . 2 . . . A 32 LYS HG2 . 30231 1 292 . 1 1 32 32 LYS HG3 H 1 1.26 0.02 . 2 . . . A 32 LYS HG3 . 30231 1 293 . 1 1 32 32 LYS HE2 H 1 2.93 0.02 . 2 . . . A 32 LYS HE2 . 30231 1 294 . 1 1 32 32 LYS HE3 H 1 2.93 0.02 . 2 . . . A 32 LYS HE3 . 30231 1 295 . 1 1 32 32 LYS C C 13 175.2 0.2 . 1 . . . A 32 LYS C . 30231 1 296 . 1 1 32 32 LYS CA C 13 55.4 0.2 . 1 . . . A 32 LYS CA . 30231 1 297 . 1 1 32 32 LYS CB C 13 33.0 0.2 . 1 . . . A 32 LYS CB . 30231 1 298 . 1 1 32 32 LYS CG C 13 24.5 0.2 . 1 . . . A 32 LYS CG . 30231 1 299 . 1 1 32 32 LYS CE C 13 41.7 0.2 . 1 . . . A 32 LYS CE . 30231 1 300 . 1 1 32 32 LYS N N 15 120.2 0.2 . 1 . . . A 32 LYS N . 30231 1 301 . 1 1 33 33 ALA H H 1 9.37 0.02 . 1 . . . A 33 ALA H . 30231 1 302 . 1 1 33 33 ALA HA H 1 4.72 0.02 . 1 . . . A 33 ALA HA . 30231 1 303 . 1 1 33 33 ALA HB1 H 1 1.19 0.02 . 1 . . . A 33 ALA HB1 . 30231 1 304 . 1 1 33 33 ALA HB2 H 1 1.19 0.02 . 1 . . . A 33 ALA HB2 . 30231 1 305 . 1 1 33 33 ALA HB3 H 1 1.19 0.02 . 1 . . . A 33 ALA HB3 . 30231 1 306 . 1 1 33 33 ALA C C 13 175.1 0.2 . 1 . . . A 33 ALA C . 30231 1 307 . 1 1 33 33 ALA CA C 13 50.2 0.2 . 1 . . . A 33 ALA CA . 30231 1 308 . 1 1 33 33 ALA CB C 13 24.1 0.2 . 1 . . . A 33 ALA CB . 30231 1 309 . 1 1 33 33 ALA N N 15 128.1 0.2 . 1 . . . A 33 ALA N . 30231 1 310 . 1 1 34 34 VAL H H 1 8.11 0.02 . 1 . . . A 34 VAL H . 30231 1 311 . 1 1 34 34 VAL HA H 1 4.24 0.02 . 1 . . . A 34 VAL HA . 30231 1 312 . 1 1 34 34 VAL HB H 1 1.89 0.02 . 1 . . . A 34 VAL HB . 30231 1 313 . 1 1 34 34 VAL HG11 H 1 0.95 0.02 . 2 . . . A 34 VAL HG11 . 30231 1 314 . 1 1 34 34 VAL HG12 H 1 0.95 0.02 . 2 . . . A 34 VAL HG12 . 30231 1 315 . 1 1 34 34 VAL HG13 H 1 0.95 0.02 . 2 . . . A 34 VAL HG13 . 30231 1 316 . 1 1 34 34 VAL HG21 H 1 0.95 0.02 . 2 . . . A 34 VAL HG21 . 30231 1 317 . 1 1 34 34 VAL HG22 H 1 0.95 0.02 . 2 . . . A 34 VAL HG22 . 30231 1 318 . 1 1 34 34 VAL HG23 H 1 0.95 0.02 . 2 . . . A 34 VAL HG23 . 30231 1 319 . 1 1 34 34 VAL C C 13 176.9 0.2 . 1 . . . A 34 VAL C . 30231 1 320 . 1 1 34 34 VAL CA C 13 61.6 0.2 . 1 . . . A 34 VAL CA . 30231 1 321 . 1 1 34 34 VAL CB C 13 32.4 0.2 . 1 . . . A 34 VAL CB . 30231 1 322 . 1 1 34 34 VAL CG1 C 13 21.5 0.2 . 2 . . . A 34 VAL CG1 . 30231 1 323 . 1 1 34 34 VAL CG2 C 13 21.5 0.2 . 2 . . . A 34 VAL CG2 . 30231 1 324 . 1 1 34 34 VAL N N 15 121.4 0.2 . 1 . . . A 34 VAL N . 30231 1 325 . 1 1 35 35 CYS H H 1 8.87 0.02 . 1 . . . A 35 CYS H . 30231 1 326 . 1 1 35 35 CYS HA H 1 3.71 0.02 . 1 . . . A 35 CYS HA . 30231 1 327 . 1 1 35 35 CYS HB2 H 1 2.92 0.02 . 2 . . . A 35 CYS HB2 . 30231 1 328 . 1 1 35 35 CYS HB3 H 1 2.92 0.02 . 2 . . . A 35 CYS HB3 . 30231 1 329 . 1 1 35 35 CYS C C 13 175.1 0.2 . 1 . . . A 35 CYS C . 30231 1 330 . 1 1 35 35 CYS CA C 13 62.1 0.2 . 1 . . . A 35 CYS CA . 30231 1 331 . 1 1 35 35 CYS CB C 13 26.8 0.2 . 1 . . . A 35 CYS CB . 30231 1 332 . 1 1 35 35 CYS N N 15 126.8 0.2 . 1 . . . A 35 CYS N . 30231 1 333 . 1 1 36 36 GLY H H 1 9.16 0.02 . 1 . . . A 36 GLY H . 30231 1 334 . 1 1 36 36 GLY HA2 H 1 4.46 0.02 . 2 . . . A 36 GLY HA2 . 30231 1 335 . 1 1 36 36 GLY HA3 H 1 3.53 0.02 . 2 . . . A 36 GLY HA3 . 30231 1 336 . 1 1 36 36 GLY C C 13 174.2 0.2 . 1 . . . A 36 GLY C . 30231 1 337 . 1 1 36 36 GLY CA C 13 44.6 0.2 . 1 . . . A 36 GLY CA . 30231 1 338 . 1 1 36 36 GLY N N 15 113.0 0.2 . 1 . . . A 36 GLY N . 30231 1 339 . 1 1 37 37 SER H H 1 7.67 0.02 . 1 . . . A 37 SER H . 30231 1 340 . 1 1 37 37 SER HA H 1 4.72 0.02 . 1 . . . A 37 SER HA . 30231 1 341 . 1 1 37 37 SER HB2 H 1 3.94 0.02 . 2 . . . A 37 SER HB2 . 30231 1 342 . 1 1 37 37 SER HB3 H 1 3.94 0.02 . 2 . . . A 37 SER HB3 . 30231 1 343 . 1 1 37 37 SER C C 13 173.2 0.2 . 1 . . . A 37 SER C . 30231 1 344 . 1 1 37 37 SER CA C 13 57.9 0.2 . 1 . . . A 37 SER CA . 30231 1 345 . 1 1 37 37 SER CB C 13 64.7 0.2 . 1 . . . A 37 SER CB . 30231 1 346 . 1 1 37 37 SER N N 15 116.3 0.2 . 1 . . . A 37 SER N . 30231 1 347 . 1 1 38 38 THR H H 1 8.98 0.02 . 1 . . . A 38 THR H . 30231 1 348 . 1 1 38 38 THR HA H 1 5.61 0.02 . 1 . . . A 38 THR HA . 30231 1 349 . 1 1 38 38 THR HG21 H 1 1.21 0.02 . 1 . . . A 38 THR HG1 . 30231 1 350 . 1 1 38 38 THR HG22 H 1 1.21 0.02 . 1 . . . A 38 THR HG1 . 30231 1 351 . 1 1 38 38 THR HG23 H 1 1.21 0.02 . 1 . . . A 38 THR HG1 . 30231 1 352 . 1 1 38 38 THR CA C 13 60.2 0.2 . 1 . . . A 38 THR CA . 30231 1 353 . 1 1 38 38 THR CB C 13 71.6 0.2 . 1 . . . A 38 THR CB . 30231 1 354 . 1 1 38 38 THR CG2 C 13 21.4 0.2 . 1 . . . A 38 THR CG2 . 30231 1 355 . 1 1 38 38 THR N N 15 111.4 0.2 . 1 . . . A 38 THR N . 30231 1 356 . 1 1 39 39 VAL HA H 1 3.20 0.02 . 1 . . . A 39 VAL HA . 30231 1 357 . 1 1 39 39 VAL HB H 1 2.28 0.02 . 1 . . . A 39 VAL HB . 30231 1 358 . 1 1 39 39 VAL HG11 H 1 0.46 0.02 . 2 . . . A 39 VAL HG11 . 30231 1 359 . 1 1 39 39 VAL HG12 H 1 0.46 0.02 . 2 . . . A 39 VAL HG12 . 30231 1 360 . 1 1 39 39 VAL HG13 H 1 0.46 0.02 . 2 . . . A 39 VAL HG13 . 30231 1 361 . 1 1 39 39 VAL HG21 H 1 0.46 0.02 . 2 . . . A 39 VAL HG21 . 30231 1 362 . 1 1 39 39 VAL HG22 H 1 0.46 0.02 . 2 . . . A 39 VAL HG22 . 30231 1 363 . 1 1 39 39 VAL HG23 H 1 0.46 0.02 . 2 . . . A 39 VAL HG23 . 30231 1 364 . 1 1 39 39 VAL CA C 13 67.2 0.2 . 1 . . . A 39 VAL CA . 30231 1 365 . 1 1 39 39 VAL CB C 13 30.7 0.2 . 1 . . . A 39 VAL CB . 30231 1 366 . 1 1 39 39 VAL CG1 C 13 20.4 0.2 . 2 . . . A 39 VAL CG1 . 30231 1 367 . 1 1 39 39 VAL CG2 C 13 20.4 0.2 . 2 . . . A 39 VAL CG2 . 30231 1 368 . 1 1 40 40 LEU HG H 1 0.91 0.02 . 1 . . . A 40 LEU HG . 30231 1 369 . 1 1 40 40 LEU HD11 H 1 0.57 0.02 . 2 . . . A 40 LEU HD11 . 30231 1 370 . 1 1 40 40 LEU HD12 H 1 0.57 0.02 . 2 . . . A 40 LEU HD12 . 30231 1 371 . 1 1 40 40 LEU HD13 H 1 0.57 0.02 . 2 . . . A 40 LEU HD13 . 30231 1 372 . 1 1 40 40 LEU HD21 H 1 0.57 0.02 . 2 . . . A 40 LEU HD21 . 30231 1 373 . 1 1 40 40 LEU HD22 H 1 0.57 0.02 . 2 . . . A 40 LEU HD22 . 30231 1 374 . 1 1 40 40 LEU HD23 H 1 0.57 0.02 . 2 . . . A 40 LEU HD23 . 30231 1 375 . 1 1 40 40 LEU C C 13 175.9 0.2 . 1 . . . A 40 LEU C . 30231 1 376 . 1 1 40 40 LEU CA C 13 57.9 0.2 . 1 . . . A 40 LEU CA . 30231 1 377 . 1 1 40 40 LEU CG C 13 27.6 0.2 . 1 . . . A 40 LEU CG . 30231 1 378 . 1 1 40 40 LEU CD1 C 13 25.7 0.2 . 2 . . . A 40 LEU CD1 . 30231 1 379 . 1 1 40 40 LEU CD2 C 13 25.7 0.2 . 2 . . . A 40 LEU CD2 . 30231 1 380 . 1 1 40 40 LEU N N 15 120.0 0.2 . 1 . . . A 40 LEU N . 30231 1 381 . 1 1 41 41 ASP H H 1 7.78 0.02 . 1 . . . A 41 ASP H . 30231 1 382 . 1 1 41 41 ASP HB2 H 1 2.99 0.02 . 2 . . . A 41 ASP HB2 . 30231 1 383 . 1 1 41 41 ASP HB3 H 1 2.73 0.02 . 2 . . . A 41 ASP HB3 . 30231 1 384 . 1 1 41 41 ASP C C 13 179.0 0.2 . 1 . . . A 41 ASP C . 30231 1 385 . 1 1 41 41 ASP CA C 13 57.6 0.2 . 1 . . . A 41 ASP CA . 30231 1 386 . 1 1 41 41 ASP CB C 13 40.9 0.2 . 1 . . . A 41 ASP CB . 30231 1 387 . 1 1 41 41 ASP N N 15 119.4 0.2 . 1 . . . A 41 ASP N . 30231 1 388 . 1 1 42 42 VAL H H 1 8.43 0.02 . 1 . . . A 42 VAL H . 30231 1 389 . 1 1 42 42 VAL HA H 1 3.63 0.02 . 1 . . . A 42 VAL HA . 30231 1 390 . 1 1 42 42 VAL HB H 1 2.24 0.02 . 1 . . . A 42 VAL HB . 30231 1 391 . 1 1 42 42 VAL HG11 H 1 1.12 0.02 . 2 . . . A 42 VAL HG11 . 30231 1 392 . 1 1 42 42 VAL HG12 H 1 1.12 0.02 . 2 . . . A 42 VAL HG12 . 30231 1 393 . 1 1 42 42 VAL HG13 H 1 1.12 0.02 . 2 . . . A 42 VAL HG13 . 30231 1 394 . 1 1 42 42 VAL HG21 H 1 0.96 0.02 . 2 . . . A 42 VAL HG21 . 30231 1 395 . 1 1 42 42 VAL HG22 H 1 0.96 0.02 . 2 . . . A 42 VAL HG22 . 30231 1 396 . 1 1 42 42 VAL HG23 H 1 0.96 0.02 . 2 . . . A 42 VAL HG23 . 30231 1 397 . 1 1 42 42 VAL C C 13 179.7 0.2 . 1 . . . A 42 VAL C . 30231 1 398 . 1 1 42 42 VAL CA C 13 65.9 0.2 . 1 . . . A 42 VAL CA . 30231 1 399 . 1 1 42 42 VAL CB C 13 31.7 0.2 . 1 . . . A 42 VAL CB . 30231 1 400 . 1 1 42 42 VAL CG1 C 13 22.7 0.2 . 2 . . . A 42 VAL CG1 . 30231 1 401 . 1 1 42 42 VAL CG2 C 13 22.5 0.2 . 2 . . . A 42 VAL CG2 . 30231 1 402 . 1 1 42 42 VAL N N 15 118.4 0.2 . 1 . . . A 42 VAL N . 30231 1 403 . 1 1 43 43 ALA H H 1 8.36 0.02 . 1 . . . A 43 ALA H . 30231 1 404 . 1 1 43 43 ALA HA H 1 3.26 0.02 . 1 . . . A 43 ALA HA . 30231 1 405 . 1 1 43 43 ALA HB1 H 1 1.12 0.02 . 1 . . . A 43 ALA HB1 . 30231 1 406 . 1 1 43 43 ALA HB2 H 1 1.12 0.02 . 1 . . . A 43 ALA HB2 . 30231 1 407 . 1 1 43 43 ALA HB3 H 1 1.12 0.02 . 1 . . . A 43 ALA HB3 . 30231 1 408 . 1 1 43 43 ALA C C 13 179.4 0.2 . 1 . . . A 43 ALA C . 30231 1 409 . 1 1 43 43 ALA CA C 13 56.0 0.2 . 1 . . . A 43 ALA CA . 30231 1 410 . 1 1 43 43 ALA CB C 13 17.2 0.2 . 1 . . . A 43 ALA CB . 30231 1 411 . 1 1 43 43 ALA N N 15 123.9 0.2 . 1 . . . A 43 ALA N . 30231 1 412 . 1 1 44 44 HIS H H 1 8.03 0.02 . 1 . . . A 44 HIS H . 30231 1 413 . 1 1 44 44 HIS HD2 H 1 7.15 0.02 . 1 . . . A 44 HIS HD2 . 30231 1 414 . 1 1 44 44 HIS C C 13 178.8 0.2 . 1 . . . A 44 HIS C . 30231 1 415 . 1 1 44 44 HIS CA C 13 57.3 0.2 . 1 . . . A 44 HIS CA . 30231 1 416 . 1 1 44 44 HIS CB C 13 29.1 0.2 . 1 . . . A 44 HIS CB . 30231 1 417 . 1 1 44 44 HIS CD2 C 13 118.0 0.2 . 1 . . . A 44 HIS CD2 . 30231 1 418 . 1 1 44 44 HIS N N 15 116.2 0.2 . 1 . . . A 44 HIS N . 30231 1 419 . 1 1 45 45 LYS H H 1 8.49 0.02 . 1 . . . A 45 LYS H . 30231 1 420 . 1 1 45 45 LYS HA H 1 4.25 0.02 . 1 . . . A 45 LYS HA . 30231 1 421 . 1 1 45 45 LYS HB2 H 1 2.00 0.02 . 2 . . . A 45 LYS HB2 . 30231 1 422 . 1 1 45 45 LYS HB3 H 1 2.00 0.02 . 2 . . . A 45 LYS HB3 . 30231 1 423 . 1 1 45 45 LYS HG2 H 1 1.65 0.02 . 2 . . . A 45 LYS HG2 . 30231 1 424 . 1 1 45 45 LYS HG3 H 1 1.59 0.02 . 2 . . . A 45 LYS HG3 . 30231 1 425 . 1 1 45 45 LYS HD2 H 1 1.73 0.02 . 2 . . . A 45 LYS HD2 . 30231 1 426 . 1 1 45 45 LYS HD3 H 1 1.68 0.02 . 2 . . . A 45 LYS HD3 . 30231 1 427 . 1 1 45 45 LYS HE2 H 1 3.05 0.02 . 2 . . . A 45 LYS HE2 . 30231 1 428 . 1 1 45 45 LYS HE3 H 1 3.05 0.02 . 2 . . . A 45 LYS HE3 . 30231 1 429 . 1 1 45 45 LYS C C 13 177.1 0.2 . 1 . . . A 45 LYS C . 30231 1 430 . 1 1 45 45 LYS CA C 13 57.7 0.2 . 1 . . . A 45 LYS CA . 30231 1 431 . 1 1 45 45 LYS CB C 13 32.7 0.2 . 1 . . . A 45 LYS CB . 30231 1 432 . 1 1 45 45 LYS CG C 13 25.6 0.2 . 1 . . . A 45 LYS CG . 30231 1 433 . 1 1 45 45 LYS CD C 13 28.5 0.2 . 1 . . . A 45 LYS CD . 30231 1 434 . 1 1 45 45 LYS N N 15 119.0 0.2 . 1 . . . A 45 LYS N . 30231 1 435 . 1 1 46 46 ASN H H 1 7.65 0.02 . 1 . . . A 46 ASN H . 30231 1 436 . 1 1 46 46 ASN HA H 1 4.95 0.02 . 1 . . . A 46 ASN HA . 30231 1 437 . 1 1 46 46 ASN HB2 H 1 3.06 0.02 . 2 . . . A 46 ASN HB2 . 30231 1 438 . 1 1 46 46 ASN HB3 H 1 2.47 0.02 . 2 . . . A 46 ASN HB3 . 30231 1 439 . 1 1 46 46 ASN C C 13 173.8 0.2 . 1 . . . A 46 ASN C . 30231 1 440 . 1 1 46 46 ASN CA C 13 53.2 0.2 . 1 . . . A 46 ASN CA . 30231 1 441 . 1 1 46 46 ASN CB C 13 40.6 0.2 . 1 . . . A 46 ASN CB . 30231 1 442 . 1 1 46 46 ASN N N 15 114.6 0.2 . 1 . . . A 46 ASN N . 30231 1 443 . 1 1 47 47 GLY H H 1 7.75 0.02 . 1 . . . A 47 GLY H . 30231 1 444 . 1 1 47 47 GLY HA2 H 1 3.96 0.02 . 2 . . . A 47 GLY HA2 . 30231 1 445 . 1 1 47 47 GLY HA3 H 1 3.89 0.02 . 2 . . . A 47 GLY HA3 . 30231 1 446 . 1 1 47 47 GLY C C 13 174.1 0.2 . 1 . . . A 47 GLY C . 30231 1 447 . 1 1 47 47 GLY CA C 13 47.0 0.2 . 1 . . . A 47 GLY CA . 30231 1 448 . 1 1 47 47 GLY N N 15 107.3 0.2 . 1 . . . A 47 GLY N . 30231 1 449 . 1 1 48 48 VAL H H 1 8.07 0.02 . 1 . . . A 48 VAL H . 30231 1 450 . 1 1 48 48 VAL HA H 1 3.81 0.02 . 1 . . . A 48 VAL HA . 30231 1 451 . 1 1 48 48 VAL HB H 1 1.28 0.02 . 1 . . . A 48 VAL HB . 30231 1 452 . 1 1 48 48 VAL HG11 H 1 0.57 0.02 . 2 . . . A 48 VAL HG11 . 30231 1 453 . 1 1 48 48 VAL HG12 H 1 0.57 0.02 . 2 . . . A 48 VAL HG12 . 30231 1 454 . 1 1 48 48 VAL HG13 H 1 0.57 0.02 . 2 . . . A 48 VAL HG13 . 30231 1 455 . 1 1 48 48 VAL HG21 H 1 0.33 0.02 . 2 . . . A 48 VAL HG21 . 30231 1 456 . 1 1 48 48 VAL HG22 H 1 0.33 0.02 . 2 . . . A 48 VAL HG22 . 30231 1 457 . 1 1 48 48 VAL HG23 H 1 0.33 0.02 . 2 . . . A 48 VAL HG23 . 30231 1 458 . 1 1 48 48 VAL C C 13 175.8 0.2 . 1 . . . A 48 VAL C . 30231 1 459 . 1 1 48 48 VAL CA C 13 61.5 0.2 . 1 . . . A 48 VAL CA . 30231 1 460 . 1 1 48 48 VAL CB C 13 32.1 0.2 . 1 . . . A 48 VAL CB . 30231 1 461 . 1 1 48 48 VAL CG1 C 13 20.7 0.2 . 2 . . . A 48 VAL CG1 . 30231 1 462 . 1 1 48 48 VAL CG2 C 13 19.4 0.2 . 2 . . . A 48 VAL CG2 . 30231 1 463 . 1 1 48 48 VAL N N 15 120.9 0.2 . 1 . . . A 48 VAL N . 30231 1 464 . 1 1 49 49 ASP H H 1 8.73 0.02 . 1 . . . A 49 ASP H . 30231 1 465 . 1 1 49 49 ASP HA H 1 4.44 0.02 . 1 . . . A 49 ASP HA . 30231 1 466 . 1 1 49 49 ASP HB2 H 1 2.74 0.02 . 2 . . . A 49 ASP HB2 . 30231 1 467 . 1 1 49 49 ASP HB3 H 1 2.56 0.02 . 2 . . . A 49 ASP HB3 . 30231 1 468 . 1 1 49 49 ASP C C 13 173.8 0.2 . 1 . . . A 49 ASP C . 30231 1 469 . 1 1 49 49 ASP CA C 13 54.1 0.2 . 1 . . . A 49 ASP CA . 30231 1 470 . 1 1 49 49 ASP CB C 13 39.2 0.2 . 1 . . . A 49 ASP CB . 30231 1 471 . 1 1 49 49 ASP N N 15 128.6 0.2 . 1 . . . A 49 ASP N . 30231 1 472 . 1 1 50 50 LEU H H 1 7.67 0.02 . 1 . . . A 50 LEU H . 30231 1 473 . 1 1 50 50 LEU HA H 1 4.45 0.02 . 1 . . . A 50 LEU HA . 30231 1 474 . 1 1 50 50 LEU HB2 H 1 1.49 0.02 . 2 . . . A 50 LEU HB2 . 30231 1 475 . 1 1 50 50 LEU HB3 H 1 0.88 0.02 . 2 . . . A 50 LEU HB3 . 30231 1 476 . 1 1 50 50 LEU HG H 1 0.97 0.02 . 1 . . . A 50 LEU HG . 30231 1 477 . 1 1 50 50 LEU C C 13 174.5 0.2 . 1 . . . A 50 LEU C . 30231 1 478 . 1 1 50 50 LEU CA C 13 53.8 0.2 . 1 . . . A 50 LEU CA . 30231 1 479 . 1 1 50 50 LEU CB C 13 44.1 0.2 . 1 . . . A 50 LEU CB . 30231 1 480 . 1 1 50 50 LEU CG C 13 24.5 0.2 . 1 . . . A 50 LEU CG . 30231 1 481 . 1 1 50 50 LEU N N 15 128.0 0.2 . 1 . . . A 50 LEU N . 30231 1 482 . 1 1 51 51 GLU H H 1 8.99 0.02 . 1 . . . A 51 GLU H . 30231 1 483 . 1 1 51 51 GLU CA C 13 58.3 0.2 . 1 . . . A 51 GLU CA . 30231 1 484 . 1 1 51 51 GLU CB C 13 31.4 0.2 . 1 . . . A 51 GLU CB . 30231 1 485 . 1 1 51 51 GLU N N 15 128.2 0.2 . 1 . . . A 51 GLU N . 30231 1 486 . 1 1 64 64 HIS CA C 13 55.5 0.2 . 1 . . . A 64 HIS CA . 30231 1 487 . 1 1 65 65 VAL H H 1 9.42 0.02 . 1 . . . A 65 VAL H . 30231 1 488 . 1 1 65 65 VAL HB H 1 2.14 0.02 . 1 . . . A 65 VAL HB . 30231 1 489 . 1 1 65 65 VAL HG11 H 1 1.09 0.02 . 2 . . . A 65 VAL HG11 . 30231 1 490 . 1 1 65 65 VAL HG12 H 1 1.09 0.02 . 2 . . . A 65 VAL HG12 . 30231 1 491 . 1 1 65 65 VAL HG13 H 1 1.09 0.02 . 2 . . . A 65 VAL HG13 . 30231 1 492 . 1 1 65 65 VAL HG21 H 1 0.91 0.02 . 2 . . . A 65 VAL HG21 . 30231 1 493 . 1 1 65 65 VAL HG22 H 1 0.91 0.02 . 2 . . . A 65 VAL HG22 . 30231 1 494 . 1 1 65 65 VAL HG23 H 1 0.91 0.02 . 2 . . . A 65 VAL HG23 . 30231 1 495 . 1 1 65 65 VAL C C 13 172.8 0.2 . 1 . . . A 65 VAL C . 30231 1 496 . 1 1 65 65 VAL CA C 13 59.4 0.2 . 1 . . . A 65 VAL CA . 30231 1 497 . 1 1 65 65 VAL CB C 13 37.2 0.2 . 1 . . . A 65 VAL CB . 30231 1 498 . 1 1 65 65 VAL CG1 C 13 23.4 0.2 . 2 . . . A 65 VAL CG1 . 30231 1 499 . 1 1 65 65 VAL CG2 C 13 18.3 0.2 . 2 . . . A 65 VAL CG2 . 30231 1 500 . 1 1 65 65 VAL N N 15 119.6 0.2 . 1 . . . A 65 VAL N . 30231 1 501 . 1 1 66 66 ILE H H 1 8.99 0.02 . 1 . . . A 66 ILE H . 30231 1 502 . 1 1 66 66 ILE HB H 1 1.43 0.02 . 1 . . . A 66 ILE HB . 30231 1 503 . 1 1 66 66 ILE HG12 H 1 1.22 0.02 . 2 . . . A 66 ILE HG12 . 30231 1 504 . 1 1 66 66 ILE HG13 H 1 1.06 0.02 . 2 . . . A 66 ILE HG13 . 30231 1 505 . 1 1 66 66 ILE HG21 H 1 0.83 0.02 . 1 . . . A 66 ILE HG21 . 30231 1 506 . 1 1 66 66 ILE HG22 H 1 0.83 0.02 . 1 . . . A 66 ILE HG22 . 30231 1 507 . 1 1 66 66 ILE HG23 H 1 0.83 0.02 . 1 . . . A 66 ILE HG23 . 30231 1 508 . 1 1 66 66 ILE HD11 H 1 0.80 0.02 . 1 . . . A 66 ILE HD11 . 30231 1 509 . 1 1 66 66 ILE HD12 H 1 0.80 0.02 . 1 . . . A 66 ILE HD12 . 30231 1 510 . 1 1 66 66 ILE HD13 H 1 0.80 0.02 . 1 . . . A 66 ILE HD13 . 30231 1 511 . 1 1 66 66 ILE C C 13 176.2 0.2 . 1 . . . A 66 ILE C . 30231 1 512 . 1 1 66 66 ILE CA C 13 61.8 0.2 . 1 . . . A 66 ILE CA . 30231 1 513 . 1 1 66 66 ILE CB C 13 40.8 0.2 . 1 . . . A 66 ILE CB . 30231 1 514 . 1 1 66 66 ILE CG1 C 13 28.1 0.2 . 1 . . . A 66 ILE CG1 . 30231 1 515 . 1 1 66 66 ILE CG2 C 13 17.1 0.2 . 1 . . . A 66 ILE CG2 . 30231 1 516 . 1 1 66 66 ILE CD1 C 13 14.7 0.2 . 1 . . . A 66 ILE CD1 . 30231 1 517 . 1 1 66 66 ILE N N 15 120.2 0.2 . 1 . . . A 66 ILE N . 30231 1 518 . 1 1 67 67 LEU H H 1 8.17 0.02 . 1 . . . A 67 LEU H . 30231 1 519 . 1 1 67 67 LEU HA H 1 4.53 0.02 . 1 . . . A 67 LEU HA . 30231 1 520 . 1 1 67 67 LEU HB2 H 1 2.26 0.02 . 2 . . . A 67 LEU HB2 . 30231 1 521 . 1 1 67 67 LEU HB3 H 1 2.07 0.02 . 2 . . . A 67 LEU HB3 . 30231 1 522 . 1 1 67 67 LEU HG H 1 0.88 0.02 . 1 . . . A 67 LEU HG . 30231 1 523 . 1 1 67 67 LEU HD11 H 1 1.16 0.02 . 2 . . . A 67 LEU HD11 . 30231 1 524 . 1 1 67 67 LEU HD12 H 1 1.16 0.02 . 2 . . . A 67 LEU HD12 . 30231 1 525 . 1 1 67 67 LEU HD13 H 1 1.16 0.02 . 2 . . . A 67 LEU HD13 . 30231 1 526 . 1 1 67 67 LEU HD21 H 1 1.16 0.02 . 2 . . . A 67 LEU HD21 . 30231 1 527 . 1 1 67 67 LEU HD22 H 1 1.16 0.02 . 2 . . . A 67 LEU HD22 . 30231 1 528 . 1 1 67 67 LEU HD23 H 1 1.16 0.02 . 2 . . . A 67 LEU HD23 . 30231 1 529 . 1 1 67 67 LEU C C 13 179.1 0.2 . 1 . . . A 67 LEU C . 30231 1 530 . 1 1 67 67 LEU CA C 13 55.8 0.2 . 1 . . . A 67 LEU CA . 30231 1 531 . 1 1 67 67 LEU CB C 13 43.9 0.2 . 1 . . . A 67 LEU CB . 30231 1 532 . 1 1 67 67 LEU CG C 13 27.0 0.2 . 1 . . . A 67 LEU CG . 30231 1 533 . 1 1 67 67 LEU CD1 C 13 24.9 0.2 . 2 . . . A 67 LEU CD1 . 30231 1 534 . 1 1 67 67 LEU CD2 C 13 24.9 0.2 . 2 . . . A 67 LEU CD2 . 30231 1 535 . 1 1 67 67 LEU N N 15 129.7 0.2 . 1 . . . A 67 LEU N . 30231 1 536 . 1 1 68 68 GLU H H 1 9.42 0.02 . 1 . . . A 68 GLU H . 30231 1 537 . 1 1 68 68 GLU HA H 1 4.34 0.02 . 1 . . . A 68 GLU HA . 30231 1 538 . 1 1 68 68 GLU HB2 H 1 2.15 0.02 . 2 . . . A 68 GLU HB2 . 30231 1 539 . 1 1 68 68 GLU HB3 H 1 2.11 0.02 . 2 . . . A 68 GLU HB3 . 30231 1 540 . 1 1 68 68 GLU HG2 H 1 2.57 0.02 . 2 . . . A 68 GLU HG2 . 30231 1 541 . 1 1 68 68 GLU HG3 H 1 2.15 0.02 . 2 . . . A 68 GLU HG3 . 30231 1 542 . 1 1 68 68 GLU C C 13 177.2 0.2 . 1 . . . A 68 GLU C . 30231 1 543 . 1 1 68 68 GLU CA C 13 56.4 0.2 . 1 . . . A 68 GLU CA . 30231 1 544 . 1 1 68 68 GLU CB C 13 31.2 0.2 . 1 . . . A 68 GLU CB . 30231 1 545 . 1 1 68 68 GLU CG C 13 37.7 0.2 . 1 . . . A 68 GLU CG . 30231 1 546 . 1 1 68 68 GLU N N 15 120.3 0.2 . 1 . . . A 68 GLU N . 30231 1 547 . 1 1 69 69 GLU H H 1 9.18 0.02 . 1 . . . A 69 GLU H . 30231 1 548 . 1 1 69 69 GLU HA H 1 4.02 0.02 . 1 . . . A 69 GLU HA . 30231 1 549 . 1 1 69 69 GLU HB2 H 1 2.18 0.02 . 2 . . . A 69 GLU HB2 . 30231 1 550 . 1 1 69 69 GLU HB3 H 1 2.06 0.02 . 2 . . . A 69 GLU HB3 . 30231 1 551 . 1 1 69 69 GLU HG2 H 1 2.32 0.02 . 2 . . . A 69 GLU HG2 . 30231 1 552 . 1 1 69 69 GLU HG3 H 1 2.26 0.02 . 2 . . . A 69 GLU HG3 . 30231 1 553 . 1 1 69 69 GLU CA C 13 61.5 0.2 . 1 . . . A 69 GLU CA . 30231 1 554 . 1 1 69 69 GLU CB C 13 27.2 0.2 . 1 . . . A 69 GLU CB . 30231 1 555 . 1 1 69 69 GLU CG C 13 36.1 0.2 . 1 . . . A 69 GLU CG . 30231 1 556 . 1 1 69 69 GLU N N 15 123.6 0.2 . 1 . . . A 69 GLU N . 30231 1 557 . 1 1 70 70 PRO HA H 1 4.24 0.02 . 1 . . . A 70 PRO HA . 30231 1 558 . 1 1 70 70 PRO HB2 H 1 2.11 0.02 . 2 . . . A 70 PRO HB2 . 30231 1 559 . 1 1 70 70 PRO HB3 H 1 1.96 0.02 . 2 . . . A 70 PRO HB3 . 30231 1 560 . 1 1 70 70 PRO HG2 H 1 2.31 0.02 . 2 . . . A 70 PRO HG2 . 30231 1 561 . 1 1 70 70 PRO HG3 H 1 1.88 0.02 . 2 . . . A 70 PRO HG3 . 30231 1 562 . 1 1 70 70 PRO HD2 H 1 3.90 0.02 . 2 . . . A 70 PRO HD2 . 30231 1 563 . 1 1 70 70 PRO HD3 H 1 3.59 0.02 . 2 . . . A 70 PRO HD3 . 30231 1 564 . 1 1 70 70 PRO C C 13 179.7 0.2 . 1 . . . A 70 PRO C . 30231 1 565 . 1 1 70 70 PRO CA C 13 66.2 0.2 . 1 . . . A 70 PRO CA . 30231 1 566 . 1 1 70 70 PRO CB C 13 28.5 0.2 . 1 . . . A 70 PRO CB . 30231 1 567 . 1 1 70 70 PRO CG C 13 30.3 0.2 . 1 . . . A 70 PRO CG . 30231 1 568 . 1 1 70 70 PRO CD C 13 50.1 0.2 . 1 . . . A 70 PRO CD . 30231 1 569 . 1 1 71 71 LEU H H 1 6.85 0.02 . 1 . . . A 71 LEU H . 30231 1 570 . 1 1 71 71 LEU HA H 1 4.17 0.02 . 1 . . . A 71 LEU HA . 30231 1 571 . 1 1 71 71 LEU HB2 H 1 1.63 0.02 . 2 . . . A 71 LEU HB2 . 30231 1 572 . 1 1 71 71 LEU HB3 H 1 1.43 0.02 . 2 . . . A 71 LEU HB3 . 30231 1 573 . 1 1 71 71 LEU HG H 1 1.23 0.02 . 1 . . . A 71 LEU HG . 30231 1 574 . 1 1 71 71 LEU HD11 H 1 0.55 0.02 . 2 . . . A 71 LEU HD11 . 30231 1 575 . 1 1 71 71 LEU HD12 H 1 0.55 0.02 . 2 . . . A 71 LEU HD12 . 30231 1 576 . 1 1 71 71 LEU HD13 H 1 0.55 0.02 . 2 . . . A 71 LEU HD13 . 30231 1 577 . 1 1 71 71 LEU HD21 H 1 0.34 0.02 . 2 . . . A 71 LEU HD21 . 30231 1 578 . 1 1 71 71 LEU HD22 H 1 0.34 0.02 . 2 . . . A 71 LEU HD22 . 30231 1 579 . 1 1 71 71 LEU HD23 H 1 0.34 0.02 . 2 . . . A 71 LEU HD23 . 30231 1 580 . 1 1 71 71 LEU C C 13 177.5 0.2 . 1 . . . A 71 LEU C . 30231 1 581 . 1 1 71 71 LEU CA C 13 57.0 0.2 . 1 . . . A 71 LEU CA . 30231 1 582 . 1 1 71 71 LEU CB C 13 40.9 0.2 . 1 . . . A 71 LEU CB . 30231 1 583 . 1 1 71 71 LEU CG C 13 26.7 0.2 . 1 . . . A 71 LEU CG . 30231 1 584 . 1 1 71 71 LEU CD1 C 13 22.2 0.2 . 2 . . . A 71 LEU CD1 . 30231 1 585 . 1 1 71 71 LEU CD2 C 13 25.9 0.2 . 2 . . . A 71 LEU CD2 . 30231 1 586 . 1 1 71 71 LEU N N 15 116.8 0.2 . 1 . . . A 71 LEU N . 30231 1 587 . 1 1 72 72 TYR H H 1 8.06 0.02 . 1 . . . A 72 TYR H . 30231 1 588 . 1 1 72 72 TYR HA H 1 3.67 0.02 . 1 . . . A 72 TYR HA . 30231 1 589 . 1 1 72 72 TYR HB2 H 1 3.20 0.02 . 2 . . . A 72 TYR HB2 . 30231 1 590 . 1 1 72 72 TYR HB3 H 1 2.82 0.02 . 2 . . . A 72 TYR HB3 . 30231 1 591 . 1 1 72 72 TYR HD1 H 1 6.88 0.02 . 3 . . . A 72 TYR HD1 . 30231 1 592 . 1 1 72 72 TYR HD2 H 1 6.88 0.02 . 3 . . . A 72 TYR HD2 . 30231 1 593 . 1 1 72 72 TYR HE1 H 1 6.75 0.02 . 3 . . . A 72 TYR HE1 . 30231 1 594 . 1 1 72 72 TYR HE2 H 1 6.75 0.02 . 3 . . . A 72 TYR HE2 . 30231 1 595 . 1 1 72 72 TYR C C 13 178.1 0.2 . 1 . . . A 72 TYR C . 30231 1 596 . 1 1 72 72 TYR CA C 13 62.4 0.2 . 1 . . . A 72 TYR CA . 30231 1 597 . 1 1 72 72 TYR CB C 13 38.7 0.2 . 1 . . . A 72 TYR CB . 30231 1 598 . 1 1 72 72 TYR CD1 C 13 132.3 0.2 . 3 . . . A 72 TYR CD1 . 30231 1 599 . 1 1 72 72 TYR CD2 C 13 132.3 0.2 . 3 . . . A 72 TYR CD2 . 30231 1 600 . 1 1 72 72 TYR CE1 C 13 119.3 0.2 . 3 . . . A 72 TYR CE1 . 30231 1 601 . 1 1 72 72 TYR CE2 C 13 119.3 0.2 . 3 . . . A 72 TYR CE2 . 30231 1 602 . 1 1 72 72 TYR N N 15 118.3 0.2 . 1 . . . A 72 TYR N . 30231 1 603 . 1 1 73 73 ARG H H 1 8.51 0.02 . 1 . . . A 73 ARG H . 30231 1 604 . 1 1 73 73 ARG HA H 1 4.09 0.02 . 1 . . . A 73 ARG HA . 30231 1 605 . 1 1 73 73 ARG HB2 H 1 2.00 0.02 . 2 . . . A 73 ARG HB2 . 30231 1 606 . 1 1 73 73 ARG HB3 H 1 1.91 0.02 . 2 . . . A 73 ARG HB3 . 30231 1 607 . 1 1 73 73 ARG HG2 H 1 1.91 0.02 . 2 . . . A 73 ARG HG2 . 30231 1 608 . 1 1 73 73 ARG HG3 H 1 1.82 0.02 . 2 . . . A 73 ARG HG3 . 30231 1 609 . 1 1 73 73 ARG HD2 H 1 3.29 0.02 . 2 . . . A 73 ARG HD2 . 30231 1 610 . 1 1 73 73 ARG HD3 H 1 3.29 0.02 . 2 . . . A 73 ARG HD3 . 30231 1 611 . 1 1 73 73 ARG CA C 13 58.0 0.2 . 1 . . . A 73 ARG CA . 30231 1 612 . 1 1 73 73 ARG CB C 13 30.0 0.2 . 1 . . . A 73 ARG CB . 30231 1 613 . 1 1 73 73 ARG CG C 13 27.3 0.2 . 1 . . . A 73 ARG CG . 30231 1 614 . 1 1 73 73 ARG N N 15 115.0 0.2 . 1 . . . A 73 ARG N . 30231 1 615 . 1 1 74 74 LYS H H 1 7.63 0.02 . 1 . . . A 74 LYS H . 30231 1 616 . 1 1 74 74 LYS HA H 1 4.11 0.02 . 1 . . . A 74 LYS HA . 30231 1 617 . 1 1 74 74 LYS HG2 H 1 1.63 0.02 . 2 . . . A 74 LYS HG2 . 30231 1 618 . 1 1 74 74 LYS HG3 H 1 1.52 0.02 . 2 . . . A 74 LYS HG3 . 30231 1 619 . 1 1 74 74 LYS HD2 H 1 1.68 0.02 . 2 . . . A 74 LYS HD2 . 30231 1 620 . 1 1 74 74 LYS HD3 H 1 1.68 0.02 . 2 . . . A 74 LYS HD3 . 30231 1 621 . 1 1 74 74 LYS HE2 H 1 3.02 0.02 . 2 . . . A 74 LYS HE2 . 30231 1 622 . 1 1 74 74 LYS HE3 H 1 3.02 0.02 . 2 . . . A 74 LYS HE3 . 30231 1 623 . 1 1 74 74 LYS C C 13 178.3 0.2 . 1 . . . A 74 LYS C . 30231 1 624 . 1 1 74 74 LYS CA C 13 58.3 0.2 . 1 . . . A 74 LYS CA . 30231 1 625 . 1 1 74 74 LYS CB C 13 32.8 0.2 . 1 . . . A 74 LYS CB . 30231 1 626 . 1 1 74 74 LYS CG C 13 24.8 0.2 . 1 . . . A 74 LYS CG . 30231 1 627 . 1 1 74 74 LYS CD C 13 29.0 0.2 . 1 . . . A 74 LYS CD . 30231 1 628 . 1 1 74 74 LYS N N 15 119.1 0.2 . 1 . . . A 74 LYS N . 30231 1 629 . 1 1 75 75 LEU H H 1 7.62 0.02 . 1 . . . A 75 LEU H . 30231 1 630 . 1 1 75 75 LEU HA H 1 4.19 0.02 . 1 . . . A 75 LEU HA . 30231 1 631 . 1 1 75 75 LEU HB2 H 1 1.84 0.02 . 2 . . . A 75 LEU HB2 . 30231 1 632 . 1 1 75 75 LEU HB3 H 1 1.34 0.02 . 2 . . . A 75 LEU HB3 . 30231 1 633 . 1 1 75 75 LEU HG H 1 0.66 0.02 . 1 . . . A 75 LEU HG . 30231 1 634 . 1 1 75 75 LEU HD11 H 1 0.93 0.02 . 2 . . . A 75 LEU HD11 . 30231 1 635 . 1 1 75 75 LEU HD12 H 1 0.93 0.02 . 2 . . . A 75 LEU HD12 . 30231 1 636 . 1 1 75 75 LEU HD13 H 1 0.93 0.02 . 2 . . . A 75 LEU HD13 . 30231 1 637 . 1 1 75 75 LEU HD21 H 1 0.93 0.02 . 2 . . . A 75 LEU HD21 . 30231 1 638 . 1 1 75 75 LEU HD22 H 1 0.93 0.02 . 2 . . . A 75 LEU HD22 . 30231 1 639 . 1 1 75 75 LEU HD23 H 1 0.93 0.02 . 2 . . . A 75 LEU HD23 . 30231 1 640 . 1 1 75 75 LEU C C 13 178.3 0.2 . 1 . . . A 75 LEU C . 30231 1 641 . 1 1 75 75 LEU CA C 13 55.7 0.2 . 1 . . . A 75 LEU CA . 30231 1 642 . 1 1 75 75 LEU CB C 13 41.7 0.2 . 1 . . . A 75 LEU CB . 30231 1 643 . 1 1 75 75 LEU CG C 13 26.5 0.2 . 1 . . . A 75 LEU CG . 30231 1 644 . 1 1 75 75 LEU CD1 C 13 22.0 0.2 . 2 . . . A 75 LEU CD1 . 30231 1 645 . 1 1 75 75 LEU CD2 C 13 22.0 0.2 . 2 . . . A 75 LEU CD2 . 30231 1 646 . 1 1 75 75 LEU N N 15 117.5 0.2 . 1 . . . A 75 LEU N . 30231 1 647 . 1 1 76 76 GLY H H 1 7.42 0.02 . 1 . . . A 76 GLY H . 30231 1 648 . 1 1 76 76 GLY HA2 H 1 4.14 0.02 . 2 . . . A 76 GLY HA2 . 30231 1 649 . 1 1 76 76 GLY HA3 H 1 3.73 0.02 . 2 . . . A 76 GLY HA3 . 30231 1 650 . 1 1 76 76 GLY C C 13 172.6 0.2 . 1 . . . A 76 GLY C . 30231 1 651 . 1 1 76 76 GLY CA C 13 44.1 0.2 . 1 . . . A 76 GLY CA . 30231 1 652 . 1 1 76 76 GLY N N 15 106.3 0.2 . 1 . . . A 76 GLY N . 30231 1 653 . 1 1 77 77 GLU H H 1 8.34 0.02 . 1 . . . A 77 GLU H . 30231 1 654 . 1 1 77 77 GLU HA H 1 4.39 0.02 . 1 . . . A 77 GLU HA . 30231 1 655 . 1 1 77 77 GLU HB2 H 1 2.14 0.02 . 2 . . . A 77 GLU HB2 . 30231 1 656 . 1 1 77 77 GLU HB3 H 1 1.90 0.02 . 2 . . . A 77 GLU HB3 . 30231 1 657 . 1 1 77 77 GLU HG2 H 1 2.46 0.02 . 2 . . . A 77 GLU HG2 . 30231 1 658 . 1 1 77 77 GLU HG3 H 1 2.46 0.02 . 2 . . . A 77 GLU HG3 . 30231 1 659 . 1 1 77 77 GLU CA C 13 55.0 0.2 . 1 . . . A 77 GLU CA . 30231 1 660 . 1 1 77 77 GLU CB C 13 29.8 0.2 . 1 . . . A 77 GLU CB . 30231 1 661 . 1 1 77 77 GLU CG C 13 36.4 0.2 . 1 . . . A 77 GLU CG . 30231 1 662 . 1 1 77 77 GLU N N 15 118.8 0.2 . 1 . . . A 77 GLU N . 30231 1 663 . 1 1 78 78 PRO HA H 1 4.26 0.02 . 1 . . . A 78 PRO HA . 30231 1 664 . 1 1 78 78 PRO HB2 H 1 1.83 0.02 . 2 . . . A 78 PRO HB2 . 30231 1 665 . 1 1 78 78 PRO HB3 H 1 1.83 0.02 . 2 . . . A 78 PRO HB3 . 30231 1 666 . 1 1 78 78 PRO HG2 H 1 1.67 0.02 . 2 . . . A 78 PRO HG2 . 30231 1 667 . 1 1 78 78 PRO HG3 H 1 1.67 0.02 . 2 . . . A 78 PRO HG3 . 30231 1 668 . 1 1 78 78 PRO HD2 H 1 3.69 0.02 . 2 . . . A 78 PRO HD2 . 30231 1 669 . 1 1 78 78 PRO HD3 H 1 3.69 0.02 . 2 . . . A 78 PRO HD3 . 30231 1 670 . 1 1 78 78 PRO C C 13 174.9 0.2 . 1 . . . A 78 PRO C . 30231 1 671 . 1 1 78 78 PRO CA C 13 62.2 0.2 . 1 . . . A 78 PRO CA . 30231 1 672 . 1 1 78 78 PRO CB C 13 32.0 0.2 . 1 . . . A 78 PRO CB . 30231 1 673 . 1 1 78 78 PRO CG C 13 26.7 0.2 . 1 . . . A 78 PRO CG . 30231 1 674 . 1 1 79 79 SER H H 1 8.19 0.02 . 1 . . . A 79 SER H . 30231 1 675 . 1 1 79 79 SER HA H 1 4.42 0.02 . 1 . . . A 79 SER HA . 30231 1 676 . 1 1 79 79 SER HB2 H 1 4.32 0.02 . 2 . . . A 79 SER HB2 . 30231 1 677 . 1 1 79 79 SER HB3 H 1 4.17 0.02 . 2 . . . A 79 SER HB3 . 30231 1 678 . 1 1 79 79 SER C C 13 174.1 0.2 . 1 . . . A 79 SER C . 30231 1 679 . 1 1 79 79 SER CA C 13 57.9 0.2 . 1 . . . A 79 SER CA . 30231 1 680 . 1 1 79 79 SER CB C 13 65.0 0.2 . 1 . . . A 79 SER CB . 30231 1 681 . 1 1 79 79 SER N N 15 114.5 0.2 . 1 . . . A 79 SER N . 30231 1 682 . 1 1 80 80 ASP H H 1 8.87 0.02 . 1 . . . A 80 ASP H . 30231 1 683 . 1 1 80 80 ASP HA H 1 4.52 0.02 . 1 . . . A 80 ASP HA . 30231 1 684 . 1 1 80 80 ASP HB2 H 1 2.88 0.02 . 2 . . . A 80 ASP HB2 . 30231 1 685 . 1 1 80 80 ASP HB3 H 1 2.72 0.02 . 2 . . . A 80 ASP HB3 . 30231 1 686 . 1 1 80 80 ASP CA C 13 57.8 0.2 . 1 . . . A 80 ASP CA . 30231 1 687 . 1 1 80 80 ASP CB C 13 39.7 0.2 . 1 . . . A 80 ASP CB . 30231 1 688 . 1 1 80 80 ASP N N 15 121.2 0.2 . 1 . . . A 80 ASP N . 30231 1 689 . 1 1 81 81 LYS H H 1 8.38 0.02 . 1 . . . A 81 LYS H . 30231 1 690 . 1 1 81 81 LYS HA H 1 4.17 0.02 . 1 . . . A 81 LYS HA . 30231 1 691 . 1 1 81 81 LYS HB2 H 1 1.89 0.02 . 2 . . . A 81 LYS HB2 . 30231 1 692 . 1 1 81 81 LYS HB3 H 1 1.75 0.02 . 2 . . . A 81 LYS HB3 . 30231 1 693 . 1 1 81 81 LYS HD2 H 1 1.81 0.02 . 2 . . . A 81 LYS HD2 . 30231 1 694 . 1 1 81 81 LYS HD3 H 1 1.81 0.02 . 2 . . . A 81 LYS HD3 . 30231 1 695 . 1 1 81 81 LYS HE2 H 1 3.09 0.02 . 2 . . . A 81 LYS HE2 . 30231 1 696 . 1 1 81 81 LYS HE3 H 1 3.09 0.02 . 2 . . . A 81 LYS HE3 . 30231 1 697 . 1 1 81 81 LYS CB C 13 32.5 0.2 . 1 . . . A 81 LYS CB . 30231 1 698 . 1 1 81 81 LYS CD C 13 28.8 0.2 . 1 . . . A 81 LYS CD . 30231 1 699 . 1 1 81 81 LYS N N 15 118.8 0.2 . 1 . . . A 81 LYS N . 30231 1 700 . 1 1 82 82 GLU H H 1 7.62 0.02 . 1 . . . A 82 GLU H . 30231 1 701 . 1 1 82 82 GLU HB2 H 1 2.18 0.02 . 2 . . . A 82 GLU HB2 . 30231 1 702 . 1 1 82 82 GLU HB3 H 1 2.02 0.02 . 2 . . . A 82 GLU HB3 . 30231 1 703 . 1 1 82 82 GLU C C 13 178.0 0.2 . 1 . . . A 82 GLU C . 30231 1 704 . 1 1 82 82 GLU CA C 13 59.7 0.2 . 1 . . . A 82 GLU CA . 30231 1 705 . 1 1 82 82 GLU CB C 13 28.7 0.2 . 1 . . . A 82 GLU CB . 30231 1 706 . 1 1 82 82 GLU CG C 13 35.7 0.2 . 1 . . . A 82 GLU CG . 30231 1 707 . 1 1 82 82 GLU N N 15 119.3 0.2 . 1 . . . A 82 GLU N . 30231 1 708 . 1 1 83 83 TYR H H 1 8.91 0.02 . 1 . . . A 83 TYR H . 30231 1 709 . 1 1 83 83 TYR HA H 1 4.17 0.02 . 1 . . . A 83 TYR HA . 30231 1 710 . 1 1 83 83 TYR HB2 H 1 3.20 0.02 . 2 . . . A 83 TYR HB2 . 30231 1 711 . 1 1 83 83 TYR HB3 H 1 3.11 0.02 . 2 . . . A 83 TYR HB3 . 30231 1 712 . 1 1 83 83 TYR HD1 H 1 7.15 0.02 . 3 . . . A 83 TYR HD1 . 30231 1 713 . 1 1 83 83 TYR HD2 H 1 7.15 0.02 . 3 . . . A 83 TYR HD2 . 30231 1 714 . 1 1 83 83 TYR HE1 H 1 6.88 0.02 . 3 . . . A 83 TYR HE1 . 30231 1 715 . 1 1 83 83 TYR HE2 H 1 6.88 0.02 . 3 . . . A 83 TYR HE2 . 30231 1 716 . 1 1 83 83 TYR C C 13 178.4 0.2 . 1 . . . A 83 TYR C . 30231 1 717 . 1 1 83 83 TYR CA C 13 62.1 0.2 . 1 . . . A 83 TYR CA . 30231 1 718 . 1 1 83 83 TYR CB C 13 37.9 0.2 . 1 . . . A 83 TYR CB . 30231 1 719 . 1 1 83 83 TYR CD1 C 13 133.0 0.2 . 3 . . . A 83 TYR CD1 . 30231 1 720 . 1 1 83 83 TYR CD2 C 13 133.0 0.2 . 3 . . . A 83 TYR CD2 . 30231 1 721 . 1 1 83 83 TYR CE1 C 13 118.5 0.2 . 3 . . . A 83 TYR CE1 . 30231 1 722 . 1 1 83 83 TYR CE2 C 13 118.5 0.2 . 3 . . . A 83 TYR CE2 . 30231 1 723 . 1 1 83 83 TYR N N 15 119.1 0.2 . 1 . . . A 83 TYR N . 30231 1 724 . 1 1 84 84 ASP H H 1 7.96 0.02 . 1 . . . A 84 ASP H . 30231 1 725 . 1 1 84 84 ASP HA H 1 4.39 0.02 . 1 . . . A 84 ASP HA . 30231 1 726 . 1 1 84 84 ASP HB2 H 1 2.84 0.02 . 2 . . . A 84 ASP HB2 . 30231 1 727 . 1 1 84 84 ASP HB3 H 1 2.70 0.02 . 2 . . . A 84 ASP HB3 . 30231 1 728 . 1 1 84 84 ASP C C 13 178.6 0.2 . 1 . . . A 84 ASP C . 30231 1 729 . 1 1 84 84 ASP CA C 13 57.4 0.2 . 1 . . . A 84 ASP CA . 30231 1 730 . 1 1 84 84 ASP CB C 13 40.7 0.2 . 1 . . . A 84 ASP CB . 30231 1 731 . 1 1 84 84 ASP N N 15 117.7 0.2 . 1 . . . A 84 ASP N . 30231 1 732 . 1 1 85 85 LEU H H 1 7.49 0.02 . 1 . . . A 85 LEU H . 30231 1 733 . 1 1 85 85 LEU C C 13 180.7 0.2 . 1 . . . A 85 LEU C . 30231 1 734 . 1 1 85 85 LEU CA C 13 57.5 0.2 . 1 . . . A 85 LEU CA . 30231 1 735 . 1 1 85 85 LEU CB C 13 42.4 0.2 . 1 . . . A 85 LEU CB . 30231 1 736 . 1 1 85 85 LEU N N 15 120.1 0.2 . 1 . . . A 85 LEU N . 30231 1 737 . 1 1 86 86 ILE H H 1 8.72 0.02 . 1 . . . A 86 ILE H . 30231 1 738 . 1 1 86 86 ILE HA H 1 3.39 0.02 . 1 . . . A 86 ILE HA . 30231 1 739 . 1 1 86 86 ILE HB H 1 1.96 0.02 . 1 . . . A 86 ILE HB . 30231 1 740 . 1 1 86 86 ILE HG12 H 1 1.82 0.02 . 2 . . . A 86 ILE HG12 . 30231 1 741 . 1 1 86 86 ILE HG13 H 1 0.78 0.02 . 2 . . . A 86 ILE HG13 . 30231 1 742 . 1 1 86 86 ILE HG21 H 1 0.85 0.02 . 1 . . . A 86 ILE HG21 . 30231 1 743 . 1 1 86 86 ILE HG22 H 1 0.85 0.02 . 1 . . . A 86 ILE HG22 . 30231 1 744 . 1 1 86 86 ILE HG23 H 1 0.85 0.02 . 1 . . . A 86 ILE HG23 . 30231 1 745 . 1 1 86 86 ILE HD11 H 1 0.93 0.02 . 1 . . . A 86 ILE HD11 . 30231 1 746 . 1 1 86 86 ILE HD12 H 1 0.93 0.02 . 1 . . . A 86 ILE HD12 . 30231 1 747 . 1 1 86 86 ILE HD13 H 1 0.93 0.02 . 1 . . . A 86 ILE HD13 . 30231 1 748 . 1 1 86 86 ILE C C 13 177.6 0.2 . 1 . . . A 86 ILE C . 30231 1 749 . 1 1 86 86 ILE CA C 13 64.7 0.2 . 1 . . . A 86 ILE CA . 30231 1 750 . 1 1 86 86 ILE CB C 13 37.7 0.2 . 1 . . . A 86 ILE CB . 30231 1 751 . 1 1 86 86 ILE CG1 C 13 29.7 0.2 . 1 . . . A 86 ILE CG1 . 30231 1 752 . 1 1 86 86 ILE CG2 C 13 18.4 0.2 . 1 . . . A 86 ILE CG2 . 30231 1 753 . 1 1 86 86 ILE CD1 C 13 14.1 0.2 . 1 . . . A 86 ILE CD1 . 30231 1 754 . 1 1 86 86 ILE N N 15 122.7 0.2 . 1 . . . A 86 ILE N . 30231 1 755 . 1 1 87 87 ASP H H 1 7.91 0.02 . 1 . . . A 87 ASP H . 30231 1 756 . 1 1 87 87 ASP HA H 1 4.34 0.02 . 1 . . . A 87 ASP HA . 30231 1 757 . 1 1 87 87 ASP HB2 H 1 2.70 0.02 . 2 . . . A 87 ASP HB2 . 30231 1 758 . 1 1 87 87 ASP HB3 H 1 2.62 0.02 . 2 . . . A 87 ASP HB3 . 30231 1 759 . 1 1 87 87 ASP C C 13 177.4 0.2 . 1 . . . A 87 ASP C . 30231 1 760 . 1 1 87 87 ASP CA C 13 56.5 0.2 . 1 . . . A 87 ASP CA . 30231 1 761 . 1 1 87 87 ASP CB C 13 41.4 0.2 . 1 . . . A 87 ASP CB . 30231 1 762 . 1 1 87 87 ASP N N 15 116.7 0.2 . 1 . . . A 87 ASP N . 30231 1 763 . 1 1 88 88 GLN H H 1 7.08 0.02 . 1 . . . A 88 GLN H . 30231 1 764 . 1 1 88 88 GLN HA H 1 4.34 0.02 . 1 . . . A 88 GLN HA . 30231 1 765 . 1 1 88 88 GLN HB2 H 1 2.37 0.02 . 2 . . . A 88 GLN HB2 . 30231 1 766 . 1 1 88 88 GLN HB3 H 1 1.91 0.02 . 2 . . . A 88 GLN HB3 . 30231 1 767 . 1 1 88 88 GLN HG2 H 1 2.51 0.02 . 2 . . . A 88 GLN HG2 . 30231 1 768 . 1 1 88 88 GLN HG3 H 1 2.37 0.02 . 2 . . . A 88 GLN HG3 . 30231 1 769 . 1 1 88 88 GLN HE21 H 1 7.66 0.02 . 2 . . . A 88 GLN HE21 . 30231 1 770 . 1 1 88 88 GLN HE22 H 1 6.98 0.02 . 2 . . . A 88 GLN HE22 . 30231 1 771 . 1 1 88 88 GLN C C 13 175.6 0.2 . 1 . . . A 88 GLN C . 30231 1 772 . 1 1 88 88 GLN CA C 13 54.7 0.2 . 1 . . . A 88 GLN CA . 30231 1 773 . 1 1 88 88 GLN CB C 13 29.6 0.2 . 1 . . . A 88 GLN CB . 30231 1 774 . 1 1 88 88 GLN CG C 13 33.8 0.2 . 1 . . . A 88 GLN CG . 30231 1 775 . 1 1 88 88 GLN N N 15 113.2 0.2 . 1 . . . A 88 GLN N . 30231 1 776 . 1 1 88 88 GLN NE2 N 15 112.8 0.2 . 1 . . . A 88 GLN NE2 . 30231 1 777 . 1 1 89 89 ALA H H 1 7.85 0.02 . 1 . . . A 89 ALA H . 30231 1 778 . 1 1 89 89 ALA HA H 1 4.31 0.02 . 1 . . . A 89 ALA HA . 30231 1 779 . 1 1 89 89 ALA HB1 H 1 1.20 0.02 . 1 . . . A 89 ALA HB1 . 30231 1 780 . 1 1 89 89 ALA HB2 H 1 1.20 0.02 . 1 . . . A 89 ALA HB2 . 30231 1 781 . 1 1 89 89 ALA HB3 H 1 1.20 0.02 . 1 . . . A 89 ALA HB3 . 30231 1 782 . 1 1 89 89 ALA C C 13 177.1 0.2 . 1 . . . A 89 ALA C . 30231 1 783 . 1 1 89 89 ALA CA C 13 51.5 0.2 . 1 . . . A 89 ALA CA . 30231 1 784 . 1 1 89 89 ALA CB C 13 18.9 0.2 . 1 . . . A 89 ALA CB . 30231 1 785 . 1 1 89 89 ALA N N 15 124.4 0.2 . 1 . . . A 89 ALA N . 30231 1 786 . 1 1 90 90 PHE H H 1 8.52 0.02 . 1 . . . A 90 PHE H . 30231 1 787 . 1 1 90 90 PHE HA H 1 4.42 0.02 . 1 . . . A 90 PHE HA . 30231 1 788 . 1 1 90 90 PHE HB2 H 1 3.21 0.02 . 2 . . . A 90 PHE HB2 . 30231 1 789 . 1 1 90 90 PHE HB3 H 1 2.99 0.02 . 2 . . . A 90 PHE HB3 . 30231 1 790 . 1 1 90 90 PHE HD1 H 1 7.33 0.02 . 3 . . . A 90 PHE HD1 . 30231 1 791 . 1 1 90 90 PHE HD2 H 1 7.33 0.02 . 3 . . . A 90 PHE HD2 . 30231 1 792 . 1 1 90 90 PHE C C 13 176.8 0.2 . 1 . . . A 90 PHE C . 30231 1 793 . 1 1 90 90 PHE CA C 13 58.7 0.2 . 1 . . . A 90 PHE CA . 30231 1 794 . 1 1 90 90 PHE CB C 13 39.0 0.2 . 1 . . . A 90 PHE CB . 30231 1 795 . 1 1 90 90 PHE CD1 C 13 129.8 0.2 . 3 . . . A 90 PHE CD1 . 30231 1 796 . 1 1 90 90 PHE CD2 C 13 129.8 0.2 . 3 . . . A 90 PHE CD2 . 30231 1 797 . 1 1 90 90 PHE N N 15 122.9 0.2 . 1 . . . A 90 PHE N . 30231 1 798 . 1 1 91 91 GLY H H 1 8.44 0.02 . 1 . . . A 91 GLY H . 30231 1 799 . 1 1 91 91 GLY HA2 H 1 3.57 0.02 . 2 . . . A 91 GLY HA2 . 30231 1 800 . 1 1 91 91 GLY HA3 H 1 3.43 0.02 . 2 . . . A 91 GLY HA3 . 30231 1 801 . 1 1 91 91 GLY C C 13 174.2 0.2 . 1 . . . A 91 GLY C . 30231 1 802 . 1 1 91 91 GLY CA C 13 45.8 0.2 . 1 . . . A 91 GLY CA . 30231 1 803 . 1 1 91 91 GLY N N 15 113.2 0.2 . 1 . . . A 91 GLY N . 30231 1 804 . 1 1 92 92 ALA H H 1 7.26 0.02 . 1 . . . A 92 ALA H . 30231 1 805 . 1 1 92 92 ALA HA H 1 4.13 0.02 . 1 . . . A 92 ALA HA . 30231 1 806 . 1 1 92 92 ALA HB1 H 1 1.33 0.02 . 1 . . . A 92 ALA HB1 . 30231 1 807 . 1 1 92 92 ALA HB2 H 1 1.33 0.02 . 1 . . . A 92 ALA HB2 . 30231 1 808 . 1 1 92 92 ALA HB3 H 1 1.33 0.02 . 1 . . . A 92 ALA HB3 . 30231 1 809 . 1 1 92 92 ALA C C 13 177.8 0.2 . 1 . . . A 92 ALA C . 30231 1 810 . 1 1 92 92 ALA CA C 13 53.3 0.2 . 1 . . . A 92 ALA CA . 30231 1 811 . 1 1 92 92 ALA CB C 13 19.4 0.2 . 1 . . . A 92 ALA CB . 30231 1 812 . 1 1 92 92 ALA N N 15 119.5 0.2 . 1 . . . A 92 ALA N . 30231 1 813 . 1 1 93 93 THR H H 1 9.55 0.02 . 1 . . . A 93 THR H . 30231 1 814 . 1 1 93 93 THR HB H 1 5.07 0.02 . 1 . . . A 93 THR HB . 30231 1 815 . 1 1 93 93 THR C C 13 176.3 0.2 . 1 . . . A 93 THR C . 30231 1 816 . 1 1 93 93 THR CA C 13 59.9 0.2 . 1 . . . A 93 THR CA . 30231 1 817 . 1 1 93 93 THR CB C 13 62.0 0.2 . 1 . . . A 93 THR CB . 30231 1 818 . 1 1 93 93 THR N N 15 113.2 0.2 . 1 . . . A 93 THR N . 30231 1 819 . 1 1 94 94 GLY H H 1 8.75 0.02 . 1 . . . A 94 GLY H . 30231 1 820 . 1 1 94 94 GLY HA2 H 1 4.14 0.02 . 2 . . . A 94 GLY HA2 . 30231 1 821 . 1 1 94 94 GLY HA3 H 1 3.85 0.02 . 2 . . . A 94 GLY HA3 . 30231 1 822 . 1 1 94 94 GLY C C 13 174.1 0.2 . 1 . . . A 94 GLY C . 30231 1 823 . 1 1 94 94 GLY CA C 13 45.9 0.2 . 1 . . . A 94 GLY CA . 30231 1 824 . 1 1 94 94 GLY N N 15 107.1 0.2 . 1 . . . A 94 GLY N . 30231 1 825 . 1 1 95 95 THR H H 1 7.67 0.02 . 1 . . . A 95 THR H . 30231 1 826 . 1 1 95 95 THR HA H 1 3.48 0.02 . 1 . . . A 95 THR HA . 30231 1 827 . 1 1 95 95 THR HB H 1 4.10 0.02 . 1 . . . A 95 THR HB . 30231 1 828 . 1 1 95 95 THR HG21 H 1 0.62 0.02 . 1 . . . A 95 THR HG21 . 30231 1 829 . 1 1 95 95 THR HG22 H 1 0.62 0.02 . 1 . . . A 95 THR HG22 . 30231 1 830 . 1 1 95 95 THR HG23 H 1 0.62 0.02 . 1 . . . A 95 THR HG23 . 30231 1 831 . 1 1 95 95 THR C C 13 174.7 0.2 . 1 . . . A 95 THR C . 30231 1 832 . 1 1 95 95 THR CA C 13 59.3 0.2 . 1 . . . A 95 THR CA . 30231 1 833 . 1 1 95 95 THR CB C 13 66.4 0.2 . 1 . . . A 95 THR CB . 30231 1 834 . 1 1 95 95 THR CG2 C 13 20.9 0.2 . 1 . . . A 95 THR CG2 . 30231 1 835 . 1 1 95 95 THR N N 15 106.6 0.2 . 1 . . . A 95 THR N . 30231 1 836 . 1 1 96 96 SER H H 1 7.14 0.02 . 1 . . . A 96 SER H . 30231 1 837 . 1 1 96 96 SER HA H 1 4.17 0.02 . 1 . . . A 96 SER HA . 30231 1 838 . 1 1 96 96 SER HB2 H 1 4.16 0.02 . 2 . . . A 96 SER HB2 . 30231 1 839 . 1 1 96 96 SER HB3 H 1 3.97 0.02 . 2 . . . A 96 SER HB3 . 30231 1 840 . 1 1 96 96 SER C C 13 174.0 0.2 . 1 . . . A 96 SER C . 30231 1 841 . 1 1 96 96 SER CA C 13 62.1 0.2 . 1 . . . A 96 SER CA . 30231 1 842 . 1 1 96 96 SER CB C 13 64.7 0.2 . 1 . . . A 96 SER CB . 30231 1 843 . 1 1 96 96 SER N N 15 121.2 0.2 . 1 . . . A 96 SER N . 30231 1 844 . 1 1 97 97 ARG H H 1 9.55 0.02 . 1 . . . A 97 ARG H . 30231 1 845 . 1 1 97 97 ARG CA C 13 51.9 0.2 . 1 . . . A 97 ARG CA . 30231 1 846 . 1 1 97 97 ARG CB C 13 35.2 0.2 . 1 . . . A 97 ARG CB . 30231 1 847 . 1 1 97 97 ARG N N 15 118.7 0.2 . 1 . . . A 97 ARG N . 30231 1 848 . 1 1 98 98 LEU CA C 13 54.3 0.2 . 1 . . . A 98 LEU CA . 30231 1 849 . 1 1 98 98 LEU CB C 13 41.3 0.2 . 1 . . . A 98 LEU CB . 30231 1 850 . 1 1 99 99 GLY CA C 13 46.2 0.2 . 1 . . . A 99 GLY CA . 30231 1 851 . 1 1 102 102 LEU HB2 H 1 2.05 0.02 . 2 . . . A 102 LEU HB2 . 30231 1 852 . 1 1 102 102 LEU HB3 H 1 1.28 0.02 . 2 . . . A 102 LEU HB3 . 30231 1 853 . 1 1 102 102 LEU HG H 1 0.91 0.02 . 1 . . . A 102 LEU HG . 30231 1 854 . 1 1 102 102 LEU HD11 H 1 0.88 0.02 . 2 . . . A 102 LEU HD11 . 30231 1 855 . 1 1 102 102 LEU HD12 H 1 0.88 0.02 . 2 . . . A 102 LEU HD12 . 30231 1 856 . 1 1 102 102 LEU HD13 H 1 0.88 0.02 . 2 . . . A 102 LEU HD13 . 30231 1 857 . 1 1 102 102 LEU HD21 H 1 0.88 0.02 . 2 . . . A 102 LEU HD21 . 30231 1 858 . 1 1 102 102 LEU HD22 H 1 0.88 0.02 . 2 . . . A 102 LEU HD22 . 30231 1 859 . 1 1 102 102 LEU HD23 H 1 0.88 0.02 . 2 . . . A 102 LEU HD23 . 30231 1 860 . 1 1 102 102 LEU C C 13 174.4 0.2 . 1 . . . A 102 LEU C . 30231 1 861 . 1 1 102 102 LEU CA C 13 52.6 0.2 . 1 . . . A 102 LEU CA . 30231 1 862 . 1 1 102 102 LEU CB C 13 43.6 0.2 . 1 . . . A 102 LEU CB . 30231 1 863 . 1 1 102 102 LEU CG C 13 27.6 0.2 . 1 . . . A 102 LEU CG . 30231 1 864 . 1 1 102 102 LEU CD1 C 13 23.1 0.2 . 2 . . . A 102 LEU CD1 . 30231 1 865 . 1 1 102 102 LEU CD2 C 13 23.1 0.2 . 2 . . . A 102 LEU CD2 . 30231 1 866 . 1 1 103 103 ARG H H 1 8.71 0.02 . 1 . . . A 103 ARG H . 30231 1 867 . 1 1 103 103 ARG HA H 1 4.32 0.02 . 1 . . . A 103 ARG HA . 30231 1 868 . 1 1 103 103 ARG HB2 H 1 1.63 0.02 . 2 . . . A 103 ARG HB2 . 30231 1 869 . 1 1 103 103 ARG HB3 H 1 1.39 0.02 . 2 . . . A 103 ARG HB3 . 30231 1 870 . 1 1 103 103 ARG HG2 H 1 1.48 0.02 . 2 . . . A 103 ARG HG2 . 30231 1 871 . 1 1 103 103 ARG HG3 H 1 1.25 0.02 . 2 . . . A 103 ARG HG3 . 30231 1 872 . 1 1 103 103 ARG HD2 H 1 3.08 0.02 . 2 . . . A 103 ARG HD2 . 30231 1 873 . 1 1 103 103 ARG HD3 H 1 3.02 0.02 . 2 . . . A 103 ARG HD3 . 30231 1 874 . 1 1 103 103 ARG C C 13 174.2 0.2 . 1 . . . A 103 ARG C . 30231 1 875 . 1 1 103 103 ARG CA C 13 52.2 0.2 . 1 . . . A 103 ARG CA . 30231 1 876 . 1 1 103 103 ARG CB C 13 30.2 0.2 . 1 . . . A 103 ARG CB . 30231 1 877 . 1 1 103 103 ARG CG C 13 27.2 0.2 . 1 . . . A 103 ARG CG . 30231 1 878 . 1 1 103 103 ARG CD C 13 42.9 0.2 . 1 . . . A 103 ARG CD . 30231 1 879 . 1 1 103 103 ARG N N 15 124.1 0.2 . 1 . . . A 103 ARG N . 30231 1 880 . 1 1 104 104 VAL H H 1 8.56 0.02 . 1 . . . A 104 VAL H . 30231 1 881 . 1 1 104 104 VAL HA H 1 1.53 0.02 . 1 . . . A 104 VAL HA . 30231 1 882 . 1 1 104 104 VAL HB H 1 1.69 0.02 . 1 . . . A 104 VAL HB . 30231 1 883 . 1 1 104 104 VAL HG11 H 1 0.58 0.02 . 2 . . . A 104 VAL HG11 . 30231 1 884 . 1 1 104 104 VAL HG12 H 1 0.58 0.02 . 2 . . . A 104 VAL HG12 . 30231 1 885 . 1 1 104 104 VAL HG13 H 1 0.58 0.02 . 2 . . . A 104 VAL HG13 . 30231 1 886 . 1 1 104 104 VAL HG21 H 1 0.50 0.02 . 2 . . . A 104 VAL HG21 . 30231 1 887 . 1 1 104 104 VAL HG22 H 1 0.50 0.02 . 2 . . . A 104 VAL HG22 . 30231 1 888 . 1 1 104 104 VAL HG23 H 1 0.50 0.02 . 2 . . . A 104 VAL HG23 . 30231 1 889 . 1 1 104 104 VAL C C 13 175.6 0.2 . 1 . . . A 104 VAL C . 30231 1 890 . 1 1 104 104 VAL CA C 13 63.4 0.2 . 1 . . . A 104 VAL CA . 30231 1 891 . 1 1 104 104 VAL CB C 13 31.3 0.2 . 1 . . . A 104 VAL CB . 30231 1 892 . 1 1 104 104 VAL CG1 C 13 22.0 0.2 . 2 . . . A 104 VAL CG1 . 30231 1 893 . 1 1 104 104 VAL CG2 C 13 22.1 0.2 . 2 . . . A 104 VAL CG2 . 30231 1 894 . 1 1 104 104 VAL N N 15 122.7 0.2 . 1 . . . A 104 VAL N . 30231 1 895 . 1 1 105 105 ASP H H 1 6.37 0.02 . 1 . . . A 105 ASP H . 30231 1 896 . 1 1 105 105 ASP HA H 1 4.71 0.02 . 1 . . . A 105 ASP HA . 30231 1 897 . 1 1 105 105 ASP HB2 H 1 3.20 0.02 . 2 . . . A 105 ASP HB2 . 30231 1 898 . 1 1 105 105 ASP HB3 H 1 2.61 0.02 . 2 . . . A 105 ASP HB3 . 30231 1 899 . 1 1 105 105 ASP C C 13 176.2 0.2 . 1 . . . A 105 ASP C . 30231 1 900 . 1 1 105 105 ASP CA C 13 52.7 0.2 . 1 . . . A 105 ASP CA . 30231 1 901 . 1 1 105 105 ASP CB C 13 42.5 0.2 . 1 . . . A 105 ASP CB . 30231 1 902 . 1 1 105 105 ASP N N 15 127.0 0.2 . 1 . . . A 105 ASP N . 30231 1 903 . 1 1 106 106 LYS H H 1 8.73 0.02 . 1 . . . A 106 LYS H . 30231 1 904 . 1 1 106 106 LYS HA H 1 3.97 0.02 . 1 . . . A 106 LYS HA . 30231 1 905 . 1 1 106 106 LYS HB2 H 1 1.94 0.02 . 2 . . . A 106 LYS HB2 . 30231 1 906 . 1 1 106 106 LYS HB3 H 1 1.89 0.02 . 2 . . . A 106 LYS HB3 . 30231 1 907 . 1 1 106 106 LYS C C 13 178.3 0.2 . 1 . . . A 106 LYS C . 30231 1 908 . 1 1 106 106 LYS CA C 13 59.4 0.2 . 1 . . . A 106 LYS CA . 30231 1 909 . 1 1 106 106 LYS CB C 13 31.9 0.2 . 1 . . . A 106 LYS CB . 30231 1 910 . 1 1 106 106 LYS CG C 13 24.9 0.2 . 1 . . . A 106 LYS CG . 30231 1 911 . 1 1 106 106 LYS CD C 13 29.0 0.2 . 1 . . . A 106 LYS CD . 30231 1 912 . 1 1 106 106 LYS N N 15 117.2 0.2 . 1 . . . A 106 LYS N . 30231 1 913 . 1 1 107 107 SER H H 1 8.96 0.02 . 1 . . . A 107 SER H . 30231 1 914 . 1 1 107 107 SER C C 13 175.2 0.2 . 1 . . . A 107 SER C . 30231 1 915 . 1 1 107 107 SER CA C 13 61.2 0.2 . 1 . . . A 107 SER CA . 30231 1 916 . 1 1 107 107 SER CB C 13 63.3 0.2 . 1 . . . A 107 SER CB . 30231 1 917 . 1 1 107 107 SER N N 15 116.9 0.2 . 1 . . . A 107 SER N . 30231 1 918 . 1 1 108 108 PHE H H 1 8.76 0.02 . 1 . . . A 108 PHE H . 30231 1 919 . 1 1 108 108 PHE HA H 1 4.41 0.02 . 1 . . . A 108 PHE HA . 30231 1 920 . 1 1 108 108 PHE HB2 H 1 3.73 0.02 . 2 . . . A 108 PHE HB2 . 30231 1 921 . 1 1 108 108 PHE HB3 H 1 3.28 0.02 . 2 . . . A 108 PHE HB3 . 30231 1 922 . 1 1 108 108 PHE HD1 H 1 7.46 0.02 . 3 . . . A 108 PHE HD1 . 30231 1 923 . 1 1 108 108 PHE HD2 H 1 7.46 0.02 . 3 . . . A 108 PHE HD2 . 30231 1 924 . 1 1 108 108 PHE C C 13 174.3 0.2 . 1 . . . A 108 PHE C . 30231 1 925 . 1 1 108 108 PHE CA C 13 57.6 0.2 . 1 . . . A 108 PHE CA . 30231 1 926 . 1 1 108 108 PHE CB C 13 38.4 0.2 . 1 . . . A 108 PHE CB . 30231 1 927 . 1 1 108 108 PHE CD1 C 13 131.0 0.2 . 3 . . . A 108 PHE CD1 . 30231 1 928 . 1 1 108 108 PHE CD2 C 13 131.0 0.2 . 3 . . . A 108 PHE CD2 . 30231 1 929 . 1 1 108 108 PHE N N 15 122.0 0.2 . 1 . . . A 108 PHE N . 30231 1 930 . 1 1 109 109 GLU H H 1 7.37 0.02 . 1 . . . A 109 GLU H . 30231 1 931 . 1 1 109 109 GLU HA H 1 4.02 0.02 . 1 . . . A 109 GLU HA . 30231 1 932 . 1 1 109 109 GLU HB2 H 1 2.16 0.02 . 2 . . . A 109 GLU HB2 . 30231 1 933 . 1 1 109 109 GLU HB3 H 1 2.09 0.02 . 2 . . . A 109 GLU HB3 . 30231 1 934 . 1 1 109 109 GLU HG2 H 1 2.42 0.02 . 2 . . . A 109 GLU HG2 . 30231 1 935 . 1 1 109 109 GLU HG3 H 1 2.42 0.02 . 2 . . . A 109 GLU HG3 . 30231 1 936 . 1 1 109 109 GLU C C 13 177.5 0.2 . 1 . . . A 109 GLU C . 30231 1 937 . 1 1 109 109 GLU CA C 13 59.4 0.2 . 1 . . . A 109 GLU CA . 30231 1 938 . 1 1 109 109 GLU CB C 13 29.4 0.2 . 1 . . . A 109 GLU CB . 30231 1 939 . 1 1 109 109 GLU CG C 13 35.4 0.2 . 1 . . . A 109 GLU CG . 30231 1 940 . 1 1 109 109 GLU N N 15 119.5 0.2 . 1 . . . A 109 GLU N . 30231 1 941 . 1 1 110 110 ASN H H 1 9.74 0.02 . 1 . . . A 110 ASN H . 30231 1 942 . 1 1 110 110 ASN HA H 1 4.36 0.02 . 1 . . . A 110 ASN HA . 30231 1 943 . 1 1 110 110 ASN HB2 H 1 3.37 0.02 . 2 . . . A 110 ASN HB2 . 30231 1 944 . 1 1 110 110 ASN HB3 H 1 3.20 0.02 . 2 . . . A 110 ASN HB3 . 30231 1 945 . 1 1 110 110 ASN HD21 H 1 7.81 0.02 . 2 . . . A 110 ASN HD21 . 30231 1 946 . 1 1 110 110 ASN HD22 H 1 7.10 0.02 . 2 . . . A 110 ASN HD22 . 30231 1 947 . 1 1 110 110 ASN C C 13 173.5 0.2 . 1 . . . A 110 ASN C . 30231 1 948 . 1 1 110 110 ASN CA C 13 55.6 0.2 . 1 . . . A 110 ASN CA . 30231 1 949 . 1 1 110 110 ASN CB C 13 37.2 0.2 . 1 . . . A 110 ASN CB . 30231 1 950 . 1 1 110 110 ASN N N 15 120.0 0.2 . 1 . . . A 110 ASN N . 30231 1 951 . 1 1 110 110 ASN ND2 N 15 114.5 0.2 . 1 . . . A 110 ASN ND2 . 30231 1 952 . 1 1 111 111 ALA H H 1 8.80 0.02 . 1 . . . A 111 ALA H . 30231 1 953 . 1 1 111 111 ALA HA H 1 4.25 0.02 . 1 . . . A 111 ALA HA . 30231 1 954 . 1 1 111 111 ALA HB1 H 1 1.25 0.02 . 1 . . . A 111 ALA HB1 . 30231 1 955 . 1 1 111 111 ALA HB2 H 1 1.25 0.02 . 1 . . . A 111 ALA HB2 . 30231 1 956 . 1 1 111 111 ALA HB3 H 1 1.25 0.02 . 1 . . . A 111 ALA HB3 . 30231 1 957 . 1 1 111 111 ALA C C 13 175.6 0.2 . 1 . . . A 111 ALA C . 30231 1 958 . 1 1 111 111 ALA CA C 13 52.8 0.2 . 1 . . . A 111 ALA CA . 30231 1 959 . 1 1 111 111 ALA CB C 13 21.0 0.2 . 1 . . . A 111 ALA CB . 30231 1 960 . 1 1 111 111 ALA N N 15 123.6 0.2 . 1 . . . A 111 ALA N . 30231 1 961 . 1 1 112 112 VAL H H 1 7.69 0.02 . 1 . . . A 112 VAL H . 30231 1 962 . 1 1 112 112 VAL HA H 1 4.53 0.02 . 1 . . . A 112 VAL HA . 30231 1 963 . 1 1 112 112 VAL HB H 1 1.68 0.02 . 1 . . . A 112 VAL HB . 30231 1 964 . 1 1 112 112 VAL HG11 H 1 0.66 0.02 . 2 . . . A 112 VAL HG11 . 30231 1 965 . 1 1 112 112 VAL HG12 H 1 0.66 0.02 . 2 . . . A 112 VAL HG12 . 30231 1 966 . 1 1 112 112 VAL HG13 H 1 0.66 0.02 . 2 . . . A 112 VAL HG13 . 30231 1 967 . 1 1 112 112 VAL HG21 H 1 0.76 0.02 . 2 . . . A 112 VAL HG21 . 30231 1 968 . 1 1 112 112 VAL HG22 H 1 0.76 0.02 . 2 . . . A 112 VAL HG22 . 30231 1 969 . 1 1 112 112 VAL HG23 H 1 0.76 0.02 . 2 . . . A 112 VAL HG23 . 30231 1 970 . 1 1 112 112 VAL C C 13 176.6 0.2 . 1 . . . A 112 VAL C . 30231 1 971 . 1 1 112 112 VAL CA C 13 60.7 0.2 . 1 . . . A 112 VAL CA . 30231 1 972 . 1 1 112 112 VAL CB C 13 33.0 0.2 . 1 . . . A 112 VAL CB . 30231 1 973 . 1 1 112 112 VAL CG1 C 13 21.4 0.2 . . . . . A 112 VAL CG1 . 30231 1 974 . 1 1 112 112 VAL CG2 C 13 20.7 0.2 . . . . . A 112 VAL CG2 . 30231 1 975 . 1 1 112 112 VAL N N 15 117.1 0.2 . 1 . . . A 112 VAL N . 30231 1 976 . 1 1 113 113 PHE H H 1 9.19 0.02 . 1 . . . A 113 PHE H . 30231 1 977 . 1 1 113 113 PHE HA H 1 4.69 0.02 . 1 . . . A 113 PHE HA . 30231 1 978 . 1 1 113 113 PHE HB2 H 1 2.78 0.02 . 2 . . . A 113 PHE HB2 . 30231 1 979 . 1 1 113 113 PHE HB3 H 1 2.57 0.02 . 2 . . . A 113 PHE HB3 . 30231 1 980 . 1 1 113 113 PHE HD1 H 1 6.91 0.02 . 3 . . . A 113 PHE HD1 . 30231 1 981 . 1 1 113 113 PHE HD2 H 1 6.91 0.02 . 3 . . . A 113 PHE HD2 . 30231 1 982 . 1 1 113 113 PHE C C 13 175.2 0.2 . 1 . . . A 113 PHE C . 30231 1 983 . 1 1 113 113 PHE CA C 13 57.0 0.2 . 1 . . . A 113 PHE CA . 30231 1 984 . 1 1 113 113 PHE CB C 13 40.3 0.2 . 1 . . . A 113 PHE CB . 30231 1 985 . 1 1 113 113 PHE CD1 C 13 131.5 0.2 . 3 . . . A 113 PHE CD1 . 30231 1 986 . 1 1 113 113 PHE CD2 C 13 131.5 0.2 . 3 . . . A 113 PHE CD2 . 30231 1 987 . 1 1 113 113 PHE N N 15 129.2 0.2 . 1 . . . A 113 PHE N . 30231 1 988 . 1 1 114 114 THR H H 1 9.43 0.02 . 1 . . . A 114 THR H . 30231 1 989 . 1 1 114 114 THR HA H 1 4.99 0.02 . 1 . . . A 114 THR HA . 30231 1 990 . 1 1 114 114 THR HB H 1 4.14 0.02 . 1 . . . A 114 THR HB . 30231 1 991 . 1 1 114 114 THR HG21 H 1 1.09 0.02 . 1 . . . A 114 THR HG21 . 30231 1 992 . 1 1 114 114 THR HG22 H 1 1.09 0.02 . 1 . . . A 114 THR HG22 . 30231 1 993 . 1 1 114 114 THR HG23 H 1 1.09 0.02 . 1 . . . A 114 THR HG23 . 30231 1 994 . 1 1 114 114 THR C C 13 173.7 0.2 . 1 . . . A 114 THR C . 30231 1 995 . 1 1 114 114 THR CA C 13 63.5 0.2 . 1 . . . A 114 THR CA . 30231 1 996 . 1 1 114 114 THR CB C 13 69.0 0.2 . 1 . . . A 114 THR CB . 30231 1 997 . 1 1 114 114 THR CG2 C 13 21.5 0.2 . 1 . . . A 114 THR CG2 . 30231 1 998 . 1 1 114 114 THR N N 15 123.2 0.2 . 1 . . . A 114 THR N . 30231 1 999 . 1 1 115 115 VAL H H 1 9.01 0.02 . 1 . . . A 115 VAL H . 30231 1 1000 . 1 1 115 115 VAL HA H 1 4.60 0.02 . 1 . . . A 115 VAL HA . 30231 1 1001 . 1 1 115 115 VAL HB H 1 2.29 0.02 . 1 . . . A 115 VAL HB . 30231 1 1002 . 1 1 115 115 VAL HG11 H 1 1.09 0.02 . 2 . . . A 115 VAL HG11 . 30231 1 1003 . 1 1 115 115 VAL HG12 H 1 1.09 0.02 . 2 . . . A 115 VAL HG12 . 30231 1 1004 . 1 1 115 115 VAL HG13 H 1 1.09 0.02 . 2 . . . A 115 VAL HG13 . 30231 1 1005 . 1 1 115 115 VAL HG21 H 1 1.09 0.02 . 2 . . . A 115 VAL HG21 . 30231 1 1006 . 1 1 115 115 VAL HG22 H 1 1.09 0.02 . 2 . . . A 115 VAL HG22 . 30231 1 1007 . 1 1 115 115 VAL HG23 H 1 1.09 0.02 . 2 . . . A 115 VAL HG23 . 30231 1 1008 . 1 1 115 115 VAL CA C 13 59.7 0.2 . 1 . . . A 115 VAL CA . 30231 1 1009 . 1 1 115 115 VAL CB C 13 32.5 0.2 . 1 . . . A 115 VAL CB . 30231 1 1010 . 1 1 115 115 VAL CG1 C 13 20.6 0.2 . 2 . . . A 115 VAL CG1 . 30231 1 1011 . 1 1 115 115 VAL CG2 C 13 20.6 0.2 . 2 . . . A 115 VAL CG2 . 30231 1 1012 . 1 1 115 115 VAL N N 15 129.5 0.2 . 1 . . . A 115 VAL N . 30231 1 1013 . 1 1 116 116 PRO HA H 1 4.55 0.02 . 1 . . . A 116 PRO HA . 30231 1 1014 . 1 1 116 116 PRO HB2 H 1 2.21 0.02 . 2 . . . A 116 PRO HB2 . 30231 1 1015 . 1 1 116 116 PRO HB3 H 1 2.10 0.02 . 2 . . . A 116 PRO HB3 . 30231 1 1016 . 1 1 116 116 PRO HG2 H 1 1.86 0.02 . 2 . . . A 116 PRO HG2 . 30231 1 1017 . 1 1 116 116 PRO HG3 H 1 1.35 0.02 . 2 . . . A 116 PRO HG3 . 30231 1 1018 . 1 1 116 116 PRO HD2 H 1 3.83 0.02 . 2 . . . A 116 PRO HD2 . 30231 1 1019 . 1 1 116 116 PRO HD3 H 1 3.83 0.02 . 2 . . . A 116 PRO HD3 . 30231 1 1020 . 1 1 116 116 PRO C C 13 176.0 0.2 . 1 . . . A 116 PRO C . 30231 1 1021 . 1 1 116 116 PRO CA C 13 62.7 0.2 . 1 . . . A 116 PRO CA . 30231 1 1022 . 1 1 116 116 PRO CB C 13 32.1 0.2 . 1 . . . A 116 PRO CB . 30231 1 1023 . 1 1 116 116 PRO CG C 13 26.8 0.2 . 1 . . . A 116 PRO CG . 30231 1 1024 . 1 1 116 116 PRO CD C 13 51.1 0.2 . 1 . . . A 116 PRO CD . 30231 1 1025 . 1 1 117 117 ARG H H 1 8.38 0.02 . 1 . . . A 117 ARG H . 30231 1 1026 . 1 1 117 117 ARG HA H 1 4.45 0.02 . 1 . . . A 117 ARG HA . 30231 1 1027 . 1 1 117 117 ARG HB2 H 1 1.88 0.02 . 2 . . . A 117 ARG HB2 . 30231 1 1028 . 1 1 117 117 ARG HB3 H 1 1.88 0.02 . 2 . . . A 117 ARG HB3 . 30231 1 1029 . 1 1 117 117 ARG HG2 H 1 1.71 0.02 . 2 . . . A 117 ARG HG2 . 30231 1 1030 . 1 1 117 117 ARG HG3 H 1 1.71 0.02 . 2 . . . A 117 ARG HG3 . 30231 1 1031 . 1 1 117 117 ARG HD2 H 1 3.23 0.02 . 2 . . . A 117 ARG HD2 . 30231 1 1032 . 1 1 117 117 ARG HD3 H 1 3.23 0.02 . 2 . . . A 117 ARG HD3 . 30231 1 1033 . 1 1 117 117 ARG C C 13 175.1 0.2 . 1 . . . A 117 ARG C . 30231 1 1034 . 1 1 117 117 ARG CA C 13 55.5 0.2 . 1 . . . A 117 ARG CA . 30231 1 1035 . 1 1 117 117 ARG CB C 13 31.9 0.2 . 1 . . . A 117 ARG CB . 30231 1 1036 . 1 1 117 117 ARG CG C 13 26.8 0.2 . 1 . . . A 117 ARG CG . 30231 1 1037 . 1 1 117 117 ARG CD C 13 43.3 0.2 . 1 . . . A 117 ARG CD . 30231 1 1038 . 1 1 117 117 ARG N N 15 120.4 0.2 . 1 . . . A 117 ARG N . 30231 1 1039 . 1 1 118 118 ALA H H 1 8.42 0.02 . 1 . . . A 118 ALA H . 30231 1 1040 . 1 1 118 118 ALA HA H 1 4.26 0.02 . 1 . . . A 118 ALA HA . 30231 1 1041 . 1 1 118 118 ALA HB1 H 1 1.24 0.02 . 1 . . . A 118 ALA HB1 . 30231 1 1042 . 1 1 118 118 ALA HB2 H 1 1.24 0.02 . 1 . . . A 118 ALA HB2 . 30231 1 1043 . 1 1 118 118 ALA HB3 H 1 1.24 0.02 . 1 . . . A 118 ALA HB3 . 30231 1 1044 . 1 1 118 118 ALA C C 13 177.5 0.2 . 1 . . . A 118 ALA C . 30231 1 1045 . 1 1 118 118 ALA CA C 13 52.0 0.2 . 1 . . . A 118 ALA CA . 30231 1 1046 . 1 1 118 118 ALA CB C 13 19.3 0.2 . 1 . . . A 118 ALA CB . 30231 1 1047 . 1 1 118 118 ALA N N 15 126.4 0.2 . 1 . . . A 118 ALA N . 30231 1 1048 . 1 1 119 119 THR H H 1 8.12 0.02 . 1 . . . A 119 THR H . 30231 1 1049 . 1 1 119 119 THR HA H 1 4.26 0.02 . 1 . . . A 119 THR HA . 30231 1 1050 . 1 1 119 119 THR HB H 1 4.17 0.02 . 1 . . . A 119 THR HB . 30231 1 1051 . 1 1 119 119 THR HG21 H 1 1.20 0.02 . 1 . . . A 119 THR HG21 . 30231 1 1052 . 1 1 119 119 THR HG22 H 1 1.20 0.02 . 1 . . . A 119 THR HG22 . 30231 1 1053 . 1 1 119 119 THR HG23 H 1 1.20 0.02 . 1 . . . A 119 THR HG23 . 30231 1 1054 . 1 1 119 119 THR C C 13 174.4 0.2 . 1 . . . A 119 THR C . 30231 1 1055 . 1 1 119 119 THR CA C 13 61.6 0.2 . 1 . . . A 119 THR CA . 30231 1 1056 . 1 1 119 119 THR CB C 13 69.7 0.2 . 1 . . . A 119 THR CB . 30231 1 1057 . 1 1 119 119 THR N N 15 113.6 0.2 . 1 . . . A 119 THR N . 30231 1 1058 . 1 1 120 120 LYS H H 1 8.32 0.02 . 1 . . . A 120 LYS H . 30231 1 1059 . 1 1 120 120 LYS C C 13 176.0 0.2 . 1 . . . A 120 LYS C . 30231 1 1060 . 1 1 120 120 LYS CA C 13 56.4 0.2 . 1 . . . A 120 LYS CA . 30231 1 1061 . 1 1 120 120 LYS CB C 13 33.1 0.2 . 1 . . . A 120 LYS CB . 30231 1 1062 . 1 1 120 120 LYS CG C 13 24.4 0.2 . 1 . . . A 120 LYS CG . 30231 1 1063 . 1 1 120 120 LYS CD C 13 29.1 0.2 . 1 . . . A 120 LYS CD . 30231 1 1064 . 1 1 120 120 LYS N N 15 122.8 0.2 . 1 . . . A 120 LYS N . 30231 1 1065 . 1 1 121 121 ASN H H 1 8.52 0.02 . 1 . . . A 121 ASN H . 30231 1 1066 . 1 1 121 121 ASN C C 13 175.1 0.2 . 1 . . . A 121 ASN C . 30231 1 1067 . 1 1 121 121 ASN CA C 13 53.2 0.2 . 1 . . . A 121 ASN CA . 30231 1 1068 . 1 1 121 121 ASN CB C 13 38.7 0.2 . 1 . . . A 121 ASN CB . 30231 1 1069 . 1 1 121 121 ASN N N 15 119.7 0.2 . 1 . . . A 121 ASN N . 30231 1 1070 . 1 1 122 122 MET H H 1 8.38 0.02 . 1 . . . A 122 MET H . 30231 1 1071 . 1 1 122 122 MET C C 13 175.8 0.2 . 1 . . . A 122 MET C . 30231 1 1072 . 1 1 122 122 MET CA C 13 55.5 0.2 . 1 . . . A 122 MET CA . 30231 1 1073 . 1 1 122 122 MET CB C 13 32.7 0.2 . 1 . . . A 122 MET CB . 30231 1 1074 . 1 1 122 122 MET CG C 13 31.9 0.2 . 1 . . . A 122 MET CG . 30231 1 1075 . 1 1 122 122 MET N N 15 121.1 0.2 . 1 . . . A 122 MET N . 30231 1 1076 . 1 1 123 123 ALA H H 1 8.32 0.02 . 1 . . . A 123 ALA H . 30231 1 1077 . 1 1 123 123 ALA HA H 1 4.37 0.02 . 1 . . . A 123 ALA HA . 30231 1 1078 . 1 1 123 123 ALA HB1 H 1 1.41 0.02 . 1 . . . A 123 ALA HB1 . 30231 1 1079 . 1 1 123 123 ALA HB2 H 1 1.41 0.02 . 1 . . . A 123 ALA HB2 . 30231 1 1080 . 1 1 123 123 ALA HB3 H 1 1.41 0.02 . 1 . . . A 123 ALA HB3 . 30231 1 1081 . 1 1 123 123 ALA C C 13 177.8 0.2 . 1 . . . A 123 ALA C . 30231 1 1082 . 1 1 123 123 ALA CA C 13 52.5 0.2 . 1 . . . A 123 ALA CA . 30231 1 1083 . 1 1 123 123 ALA CB C 13 19.1 0.2 . 1 . . . A 123 ALA CB . 30231 1 1084 . 1 1 123 123 ALA N N 15 124.8 0.2 . 1 . . . A 123 ALA N . 30231 1 1085 . 1 1 124 124 VAL H H 1 8.12 0.02 . 1 . . . A 124 VAL H . 30231 1 1086 . 1 1 124 124 VAL HB H 1 2.13 0.02 . 1 . . . A 124 VAL HB . 30231 1 1087 . 1 1 124 124 VAL HG21 H 1 0.95 0.02 . 2 . . . A 124 VAL HG21 . 30231 1 1088 . 1 1 124 124 VAL HG22 H 1 0.95 0.02 . 2 . . . A 124 VAL HG22 . 30231 1 1089 . 1 1 124 124 VAL HG23 H 1 0.95 0.02 . 2 . . . A 124 VAL HG23 . 30231 1 1090 . 1 1 124 124 VAL C C 13 176.0 0.2 . 1 . . . A 124 VAL C . 30231 1 1091 . 1 1 124 124 VAL CA C 13 62.3 0.2 . 1 . . . A 124 VAL CA . 30231 1 1092 . 1 1 124 124 VAL CB C 13 32.8 0.2 . 1 . . . A 124 VAL CB . 30231 1 1093 . 1 1 124 124 VAL CG1 C 13 21.1 0.2 . . . . . A 124 VAL CG1 . 30231 1 1094 . 1 1 124 124 VAL CG2 C 13 20.2 0.2 . . . . . A 124 VAL CG2 . 30231 1 1095 . 1 1 124 124 VAL N N 15 118.5 0.2 . 1 . . . A 124 VAL N . 30231 1 1096 . 1 1 125 125 ASP H H 1 8.40 0.02 . 1 . . . A 125 ASP H . 30231 1 1097 . 1 1 125 125 ASP C C 13 176.6 0.2 . 1 . . . A 125 ASP C . 30231 1 1098 . 1 1 125 125 ASP CA C 13 54.5 0.2 . 1 . . . A 125 ASP CA . 30231 1 1099 . 1 1 125 125 ASP CB C 13 41.2 0.2 . 1 . . . A 125 ASP CB . 30231 1 1100 . 1 1 125 125 ASP N N 15 123.0 0.2 . 1 . . . A 125 ASP N . 30231 1 1101 . 1 1 126 126 GLY H H 1 8.28 0.02 . 1 . . . A 126 GLY H . 30231 1 1102 . 1 1 126 126 GLY HA2 H 1 3.91 0.02 . 2 . . . A 126 GLY HA2 . 30231 1 1103 . 1 1 126 126 GLY HA3 H 1 3.91 0.02 . 2 . . . A 126 GLY HA3 . 30231 1 1104 . 1 1 126 126 GLY C C 13 173.8 0.2 . 1 . . . A 126 GLY C . 30231 1 1105 . 1 1 126 126 GLY CA C 13 45.3 0.2 . 1 . . . A 126 GLY CA . 30231 1 1106 . 1 1 126 126 GLY N N 15 108.7 0.2 . 1 . . . A 126 GLY N . 30231 1 1107 . 1 1 127 127 PHE H H 1 8.14 0.02 . 1 . . . A 127 PHE H . 30231 1 1108 . 1 1 127 127 PHE HB2 H 1 3.91 0.02 . 2 . . . A 127 PHE HB2 . 30231 1 1109 . 1 1 127 127 PHE HB3 H 1 3.10 0.02 . 2 . . . A 127 PHE HB3 . 30231 1 1110 . 1 1 127 127 PHE HD1 H 1 7.25 0.02 . 3 . . . A 127 PHE HD1 . 30231 1 1111 . 1 1 127 127 PHE HD2 H 1 7.25 0.02 . 3 . . . A 127 PHE HD2 . 30231 1 1112 . 1 1 127 127 PHE C C 13 175.3 0.2 . 1 . . . A 127 PHE C . 30231 1 1113 . 1 1 127 127 PHE CA C 13 57.8 0.2 . 1 . . . A 127 PHE CA . 30231 1 1114 . 1 1 127 127 PHE CB C 13 39.5 0.2 . 1 . . . A 127 PHE CB . 30231 1 1115 . 1 1 127 127 PHE CD1 C 13 131.9 0.2 . 3 . . . A 127 PHE CD1 . 30231 1 1116 . 1 1 127 127 PHE CD2 C 13 131.9 0.2 . 3 . . . A 127 PHE CD2 . 30231 1 1117 . 1 1 127 127 PHE N N 15 119.9 0.2 . 1 . . . A 127 PHE N . 30231 1 1118 . 1 1 128 128 LYS H H 1 8.08 0.02 . 1 . . . A 128 LYS H . 30231 1 1119 . 1 1 128 128 LYS CA C 13 53.6 0.2 . 1 . . . A 128 LYS CA . 30231 1 1120 . 1 1 128 128 LYS CB C 13 32.9 0.2 . 1 . . . A 128 LYS CB . 30231 1 1121 . 1 1 128 128 LYS N N 15 125.0 0.2 . 1 . . . A 128 LYS N . 30231 1 1122 . 1 1 129 129 PRO C C 13 176.5 0.2 . 1 . . . A 129 PRO C . 30231 1 1123 . 1 1 129 129 PRO CA C 13 62.8 0.2 . 1 . . . A 129 PRO CA . 30231 1 1124 . 1 1 129 129 PRO CB C 13 32.2 0.2 . 1 . . . A 129 PRO CB . 30231 1 1125 . 1 1 129 129 PRO CG C 13 27.3 0.2 . 1 . . . A 129 PRO CG . 30231 1 1126 . 1 1 129 129 PRO CD C 13 50.6 0.2 . 1 . . . A 129 PRO CD . 30231 1 1127 . 1 1 130 130 LYS H H 1 8.49 0.02 . 1 . . . A 130 LYS H . 30231 1 1128 . 1 1 130 130 LYS CA C 13 54.2 0.2 . 1 . . . A 130 LYS CA . 30231 1 1129 . 1 1 130 130 LYS CB C 13 32.4 0.2 . 1 . . . A 130 LYS CB . 30231 1 1130 . 1 1 130 130 LYS N N 15 122.9 0.2 . 1 . . . A 130 LYS N . 30231 1 1131 . 1 1 131 131 PRO C C 13 175.9 0.2 . 1 . . . A 131 PRO C . 30231 1 1132 . 1 1 131 131 PRO CA C 13 63.4 0.2 . 1 . . . A 131 PRO CA . 30231 1 1133 . 1 1 131 131 PRO CB C 13 32.0 0.2 . 1 . . . A 131 PRO CB . 30231 1 1134 . 1 1 131 131 PRO CG C 13 27.3 0.2 . 1 . . . A 131 PRO CG . 30231 1 1135 . 1 1 131 131 PRO CD C 13 50.6 0.2 . 1 . . . A 131 PRO CD . 30231 1 1136 . 1 1 132 132 HIS H H 1 7.98 0.02 . 1 . . . A 132 HIS H . 30231 1 1137 . 1 1 132 132 HIS HD2 H 1 7.16 0.02 . 1 . . . A 132 HIS HD2 . 30231 1 1138 . 1 1 132 132 HIS CA C 13 57.2 0.2 . 1 . . . A 132 HIS CA . 30231 1 1139 . 1 1 132 132 HIS CB C 13 30.5 0.2 . 1 . . . A 132 HIS CB . 30231 1 1140 . 1 1 132 132 HIS CD2 C 13 120.1 0.2 . 1 . . . A 132 HIS CD2 . 30231 1 1141 . 1 1 132 132 HIS N N 15 123.5 0.2 . 1 . . . A 132 HIS N . 30231 1 stop_ save_