data_30500 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30500 _Entry.Title ; Structure of a protein complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-20 _Entry.Accession_date 2018-07-20 _Entry.Last_release_date 2018-07-24 _Entry.Original_release_date 2018-07-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30500 stop_ 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. Buel G. R. . . 30500 2 K. Walters K. J. . . 30500 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Clathrin . 30500 Endocytosis . 30500 'MOTOR PROTEIN' . 30500 Myosin . 30500 Trafficking . 30500 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30500 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 30500 '15N chemical shifts' 107 30500 '1H chemical shifts' 713 30500 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 . . 2019-11-12 . original BMRB . 30500 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6E5N . 30500 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30500 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Structure of a protein complex ; _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. Buel G. R. . . 30500 1 2 K. Walters K. J. . . 30500 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30500 _Assembly.ID 1 _Assembly.Name 'Unconventional myosin-VI, Clathrin light chain A' _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 B yes . . . . . . 30500 1 2 entity_2 2 $entity_2 B A yes . . . . . . 30500 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30500 _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 B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSRPKMTPEQMAKEMSE FLSRGPAVLATKAAAGTKKY DLSKWKYAELRDTINTSCDI ELLAACREEFHRRLKVYHAW KSKNKKR ; _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 87 _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 9991.648 _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 'Unconventional myosin-6' na 30500 1 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 1045 GLY . 30500 1 2 1046 PRO . 30500 1 3 1047 LEU . 30500 1 4 1048 GLY . 30500 1 5 1049 SER . 30500 1 6 1050 ARG . 30500 1 7 1051 PRO . 30500 1 8 1052 LYS . 30500 1 9 1053 MET . 30500 1 10 1054 THR . 30500 1 11 1055 PRO . 30500 1 12 1056 GLU . 30500 1 13 1057 GLN . 30500 1 14 1058 MET . 30500 1 15 1059 ALA . 30500 1 16 1060 LYS . 30500 1 17 1061 GLU . 30500 1 18 1062 MET . 30500 1 19 1063 SER . 30500 1 20 1064 GLU . 30500 1 21 1065 PHE . 30500 1 22 1066 LEU . 30500 1 23 1067 SER . 30500 1 24 1068 ARG . 30500 1 25 1069 GLY . 30500 1 26 1070 PRO . 30500 1 27 1071 ALA . 30500 1 28 1072 VAL . 30500 1 29 1073 LEU . 30500 1 30 1074 ALA . 30500 1 31 1075 THR . 30500 1 32 1076 LYS . 30500 1 33 1077 ALA . 30500 1 34 1078 ALA . 30500 1 35 1079 ALA . 30500 1 36 1080 GLY . 30500 1 37 1081 THR . 30500 1 38 1082 LYS . 30500 1 39 1083 LYS . 30500 1 40 1084 TYR . 30500 1 41 1085 ASP . 30500 1 42 1086 LEU . 30500 1 43 1087 SER . 30500 1 44 1088 LYS . 30500 1 45 1089 TRP . 30500 1 46 1090 LYS . 30500 1 47 1091 TYR . 30500 1 48 1092 ALA . 30500 1 49 1093 GLU . 30500 1 50 1094 LEU . 30500 1 51 1095 ARG . 30500 1 52 1096 ASP . 30500 1 53 1097 THR . 30500 1 54 1098 ILE . 30500 1 55 1099 ASN . 30500 1 56 1100 THR . 30500 1 57 1101 SER . 30500 1 58 1102 CYS . 30500 1 59 1103 ASP . 30500 1 60 1104 ILE . 30500 1 61 1105 GLU . 30500 1 62 1106 LEU . 30500 1 63 1107 LEU . 30500 1 64 1108 ALA . 30500 1 65 1109 ALA . 30500 1 66 1110 CYS . 30500 1 67 1111 ARG . 30500 1 68 1112 GLU . 30500 1 69 1113 GLU . 30500 1 70 1114 PHE . 30500 1 71 1115 HIS . 30500 1 72 1116 ARG . 30500 1 73 1117 ARG . 30500 1 74 1118 LEU . 30500 1 75 1119 LYS . 30500 1 76 1120 VAL . 30500 1 77 1121 TYR . 30500 1 78 1122 HIS . 30500 1 79 1123 ALA . 30500 1 80 1124 TRP . 30500 1 81 1125 LYS . 30500 1 82 1126 SER . 30500 1 83 1127 LYS . 30500 1 84 1128 ASN . 30500 1 85 1129 LYS . 30500 1 86 1130 LYS . 30500 1 87 1131 ARG . 30500 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 30500 1 . PRO 2 2 30500 1 . LEU 3 3 30500 1 . GLY 4 4 30500 1 . SER 5 5 30500 1 . ARG 6 6 30500 1 . PRO 7 7 30500 1 . LYS 8 8 30500 1 . MET 9 9 30500 1 . THR 10 10 30500 1 . PRO 11 11 30500 1 . GLU 12 12 30500 1 . GLN 13 13 30500 1 . MET 14 14 30500 1 . ALA 15 15 30500 1 . LYS 16 16 30500 1 . GLU 17 17 30500 1 . MET 18 18 30500 1 . SER 19 19 30500 1 . GLU 20 20 30500 1 . PHE 21 21 30500 1 . LEU 22 22 30500 1 . SER 23 23 30500 1 . ARG 24 24 30500 1 . GLY 25 25 30500 1 . PRO 26 26 30500 1 . ALA 27 27 30500 1 . VAL 28 28 30500 1 . LEU 29 29 30500 1 . ALA 30 30 30500 1 . THR 31 31 30500 1 . LYS 32 32 30500 1 . ALA 33 33 30500 1 . ALA 34 34 30500 1 . ALA 35 35 30500 1 . GLY 36 36 30500 1 . THR 37 37 30500 1 . LYS 38 38 30500 1 . LYS 39 39 30500 1 . TYR 40 40 30500 1 . ASP 41 41 30500 1 . LEU 42 42 30500 1 . SER 43 43 30500 1 . LYS 44 44 30500 1 . TRP 45 45 30500 1 . LYS 46 46 30500 1 . TYR 47 47 30500 1 . ALA 48 48 30500 1 . GLU 49 49 30500 1 . LEU 50 50 30500 1 . ARG 51 51 30500 1 . ASP 52 52 30500 1 . THR 53 53 30500 1 . ILE 54 54 30500 1 . ASN 55 55 30500 1 . THR 56 56 30500 1 . SER 57 57 30500 1 . CYS 58 58 30500 1 . ASP 59 59 30500 1 . ILE 60 60 30500 1 . GLU 61 61 30500 1 . LEU 62 62 30500 1 . LEU 63 63 30500 1 . ALA 64 64 30500 1 . ALA 65 65 30500 1 . CYS 66 66 30500 1 . ARG 67 67 30500 1 . GLU 68 68 30500 1 . GLU 69 69 30500 1 . PHE 70 70 30500 1 . HIS 71 71 30500 1 . ARG 72 72 30500 1 . ARG 73 73 30500 1 . LEU 74 74 30500 1 . LYS 75 75 30500 1 . VAL 76 76 30500 1 . TYR 77 77 30500 1 . HIS 78 78 30500 1 . ALA 79 79 30500 1 . TRP 80 80 30500 1 . LYS 81 81 30500 1 . SER 82 82 30500 1 . LYS 83 83 30500 1 . ASN 84 84 30500 1 . LYS 85 85 30500 1 . LYS 86 86 30500 1 . ARG 87 87 30500 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 30500 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GPLGSPEFIENDEAFAILDG GAPG ; _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 24 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2373.528 _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 Lca na 30500 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 38 GLY . 30500 2 2 39 PRO . 30500 2 3 40 LEU . 30500 2 4 41 GLY . 30500 2 5 42 SER . 30500 2 6 43 PRO . 30500 2 7 44 GLU . 30500 2 8 45 PHE . 30500 2 9 46 ILE . 30500 2 10 47 GLU . 30500 2 11 48 ASN . 30500 2 12 49 ASP . 30500 2 13 50 GLU . 30500 2 14 51 ALA . 30500 2 15 52 PHE . 30500 2 16 53 ALA . 30500 2 17 54 ILE . 30500 2 18 55 LEU . 30500 2 19 56 ASP . 30500 2 20 57 GLY . 30500 2 21 58 GLY . 30500 2 22 59 ALA . 30500 2 23 60 PRO . 30500 2 24 61 GLY . 30500 2 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 30500 2 . PRO 2 2 30500 2 . LEU 3 3 30500 2 . GLY 4 4 30500 2 . SER 5 5 30500 2 . PRO 6 6 30500 2 . GLU 7 7 30500 2 . PHE 8 8 30500 2 . ILE 9 9 30500 2 . GLU 10 10 30500 2 . ASN 11 11 30500 2 . ASP 12 12 30500 2 . GLU 13 13 30500 2 . ALA 14 14 30500 2 . PHE 15 15 30500 2 . ALA 16 16 30500 2 . ILE 17 17 30500 2 . LEU 18 18 30500 2 . ASP 19 19 30500 2 . GLY 20 20 30500 2 . GLY 21 21 30500 2 . ALA 22 22 30500 2 . PRO 23 23 30500 2 . GLY 24 24 30500 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 30500 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'MYO6, KIAA0389' . 30500 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . CLTA . 30500 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 30500 _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' . . 562 Escherichia coli . . . . . . . . . . 30500 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30500 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30500 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.36 mM [U-13C; U-15N] Myosin VI 1050-1131, 0.36 mM None Clathrin Light Chain Alpha 46-61, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Myosin VI 1050-1131' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.36 . . mM . . . . 30500 1 2 'Clathrin Light Chain Alpha 46-61' 'natural abundance' . . 2 $entity_2 . . 0.36 . . mM . . . . 30500 1 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30500 1 4 NaPO4 'natural abundance' . . . . . . 20 . . mM . . . . 30500 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30500 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.4 mM None Myosin VI 1050-1131, 0.4 mM [U-13C; U-15N] Clathrin Light Chain Alpha 46-61, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 'Myosin VI 1050-1131' 'natural abundance' . . 1 $entity_1 . . 0.4 . . mM . . . . 30500 2 2 'Clathrin Light Chain Alpha 46-61' '[U-13C; U-15N]' . . 2 $entity_2 . . 0.4 . . mM . . . . 30500 2 3 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 30500 2 4 NaPO4 'natural abundance' . . . . . . 20 . . mM . . . . 30500 2 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 30500 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 70 . mM 30500 1 pH 6.5 . pH 30500 1 pressure 760 . mmHg 30500 1 temperature 283.2 . K 30500 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30500 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30500 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 30500 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30500 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30500 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30500 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30500 _Software.ID 3 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30500 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 30500 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30500 _Software.ID 4 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 30500 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 30500 4 . 'peak picking' 30500 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 30500 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 30500 5 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'geometry optimization' 30500 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 30500 _Software.ID 6 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 30500 6 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 30500 6 . 'structure calculation' 30500 6 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 30500 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 30500 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 30500 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 Bruker AvanceIII . 850 . . . 30500 1 2 NMR_spectrometer_2 Bruker AvanceIII . 700 . . . 30500 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 30500 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 3 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 5 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 30500 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 8 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 11 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 12 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 13 'half-filtered 3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 1 14 'half-filtered 3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30500 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 30500 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 . . . . . 30500 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30500 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 30500 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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 'Chemical shifts were assigned manually' _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30500 1 2 '3D 1H-15N NOESY' . . . 30500 1 3 '2D 1H-13C HSQC' . . . 30500 1 4 '3D 1H-13C NOESY' . . . 30500 1 5 '2D 1H-15N HSQC' . . . 30500 1 6 '3D HNCO' . . . 30500 1 7 '3D 1H-13C NOESY' . . . 30500 1 8 '2D 1H-13C HSQC' . . . 30500 1 9 '3D 1H-15N NOESY' . . . 30500 1 10 '3D HNCACB' . . . 30500 1 11 '3D HNCACB' . . . 30500 1 12 '3D HNCO' . . . 30500 1 13 'half-filtered 3D 1H-13C NOESY' . . . 30500 1 14 'half-filtered 3D 1H-13C NOESY' . . . 30500 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 ARG H H 1 8.437 0.01 . 1 . . . . B 1050 ARG H1 . 30500 1 2 . 1 1 6 6 ARG HA H 1 4.604 0.01 . 1 . . . . B 1050 ARG HA . 30500 1 3 . 1 1 6 6 ARG HB2 H 1 1.807 0.01 . 2 . . . . B 1050 ARG HB2 . 30500 1 4 . 1 1 6 6 ARG HB3 H 1 1.707 0.01 . 2 . . . . B 1050 ARG HB3 . 30500 1 5 . 1 1 6 6 ARG HG2 H 1 1.65 0.01 . 2 . . . . B 1050 ARG HG2 . 30500 1 6 . 1 1 6 6 ARG HG3 H 1 1.65 0.01 . 2 . . . . B 1050 ARG HG3 . 30500 1 7 . 1 1 6 6 ARG HD2 H 1 3.143 0.01 . 2 . . . . B 1050 ARG HD2 . 30500 1 8 . 1 1 6 6 ARG HD3 H 1 3.143 0.01 . 2 . . . . B 1050 ARG HD3 . 30500 1 9 . 1 1 6 6 ARG HE H 1 7.274 0.01 . 1 . . . . B 1050 ARG HE . 30500 1 10 . 1 1 6 6 ARG CA C 13 53.993 0.15 . 1 . . . . B 1050 ARG CA . 30500 1 11 . 1 1 6 6 ARG CB C 13 30.128 0.15 . 1 . . . . B 1050 ARG CB . 30500 1 12 . 1 1 6 6 ARG CG C 13 26.785 0.15 . 1 . . . . B 1050 ARG CG . 30500 1 13 . 1 1 6 6 ARG CD C 13 43.347 0.15 . 1 . . . . B 1050 ARG CD . 30500 1 14 . 1 1 6 6 ARG N N 15 124.063 0.2 . 1 . . . . B 1050 ARG N . 30500 1 15 . 1 1 6 6 ARG NE N 15 84.46 0.2 . 1 . . . . B 1050 ARG NE . 30500 1 16 . 1 1 7 7 PRO HA H 1 4.365 0.01 . 1 . . . . B 1051 PRO HA . 30500 1 17 . 1 1 7 7 PRO HB2 H 1 2.253 0.01 . 2 . . . . B 1051 PRO HB2 . 30500 1 18 . 1 1 7 7 PRO HB3 H 1 1.818 0.01 . 2 . . . . B 1051 PRO HB3 . 30500 1 19 . 1 1 7 7 PRO HG2 H 1 1.908 0.01 . 2 . . . . B 1051 PRO HG2 . 30500 1 20 . 1 1 7 7 PRO HG3 H 1 1.908 0.01 . 2 . . . . B 1051 PRO HG3 . 30500 1 21 . 1 1 7 7 PRO HD2 H 1 3.781 0.01 . 2 . . . . B 1051 PRO HD2 . 30500 1 22 . 1 1 7 7 PRO HD3 H 1 3.5 0.01 . 2 . . . . B 1051 PRO HD3 . 30500 1 23 . 1 1 7 7 PRO C C 13 176.548 0.15 . 1 . . . . B 1051 PRO C . 30500 1 24 . 1 1 7 7 PRO CA C 13 62.882 0.15 . 1 . . . . B 1051 PRO CA . 30500 1 25 . 1 1 7 7 PRO CB C 13 32.194 0.15 . 1 . . . . B 1051 PRO CB . 30500 1 26 . 1 1 7 7 PRO CG C 13 27.252 0.15 . 1 . . . . B 1051 PRO CG . 30500 1 27 . 1 1 7 7 PRO CD C 13 50.624 0.15 . 1 . . . . B 1051 PRO CD . 30500 1 28 . 1 1 8 8 LYS H H 1 8.529 0.01 . 1 . . . . B 1052 LYS H . 30500 1 29 . 1 1 8 8 LYS HA H 1 4.274 0.01 . 1 . . . . B 1052 LYS HA . 30500 1 30 . 1 1 8 8 LYS HB2 H 1 1.814 0.01 . 2 . . . . B 1052 LYS HB2 . 30500 1 31 . 1 1 8 8 LYS HB3 H 1 1.736 0.01 . 2 . . . . B 1052 LYS HB3 . 30500 1 32 . 1 1 8 8 LYS HG2 H 1 1.407 0.01 . 2 . . . . B 1052 LYS HG2 . 30500 1 33 . 1 1 8 8 LYS HG3 H 1 1.407 0.01 . 2 . . . . B 1052 LYS HG3 . 30500 1 34 . 1 1 8 8 LYS HD2 H 1 1.652 0.01 . 2 . . . . B 1052 LYS HD2 . 30500 1 35 . 1 1 8 8 LYS HD3 H 1 1.652 0.01 . 2 . . . . B 1052 LYS HD3 . 30500 1 36 . 1 1 8 8 LYS HE2 H 1 2.96 0.01 . 2 . . . . B 1052 LYS HE2 . 30500 1 37 . 1 1 8 8 LYS HE3 H 1 2.96 0.01 . 2 . . . . B 1052 LYS HE3 . 30500 1 38 . 1 1 8 8 LYS C C 13 176.603 0.15 . 1 . . . . B 1052 LYS C . 30500 1 39 . 1 1 8 8 LYS CA C 13 56.26 0.15 . 1 . . . . B 1052 LYS CA . 30500 1 40 . 1 1 8 8 LYS CB C 13 32.741 0.15 . 1 . . . . B 1052 LYS CB . 30500 1 41 . 1 1 8 8 LYS CG C 13 24.71 0.15 . 1 . . . . B 1052 LYS CG . 30500 1 42 . 1 1 8 8 LYS CD C 13 29.148 0.15 . 1 . . . . B 1052 LYS CD . 30500 1 43 . 1 1 8 8 LYS CE C 13 42.091 0.15 . 1 . . . . B 1052 LYS CE . 30500 1 44 . 1 1 8 8 LYS N N 15 122.691 0.2 . 1 . . . . B 1052 LYS N . 30500 1 45 . 1 1 9 9 MET H H 1 8.584 0.01 . 1 . . . . B 1053 MET H . 30500 1 46 . 1 1 9 9 MET HA H 1 4.579 0.01 . 1 . . . . B 1053 MET HA . 30500 1 47 . 1 1 9 9 MET HB2 H 1 2.092 0.01 . 2 . . . . B 1053 MET HB2 . 30500 1 48 . 1 1 9 9 MET HB3 H 1 1.882 0.01 . 2 . . . . B 1053 MET HB3 . 30500 1 49 . 1 1 9 9 MET HG2 H 1 2.606 0.01 . 2 . . . . B 1053 MET HG2 . 30500 1 50 . 1 1 9 9 MET HG3 H 1 2.512 0.01 . 2 . . . . B 1053 MET HG3 . 30500 1 51 . 1 1 9 9 MET HE1 H 1 1.999 0.01 . 1 . . . . B 1053 MET HE1 . 30500 1 52 . 1 1 9 9 MET HE2 H 1 1.999 0.01 . 1 . . . . B 1053 MET HE2 . 30500 1 53 . 1 1 9 9 MET HE3 H 1 1.999 0.01 . 1 . . . . B 1053 MET HE3 . 30500 1 54 . 1 1 9 9 MET C C 13 175.859 0.15 . 1 . . . . B 1053 MET C . 30500 1 55 . 1 1 9 9 MET CA C 13 55.691 0.15 . 1 . . . . B 1053 MET CA . 30500 1 56 . 1 1 9 9 MET CB C 13 35.005 0.15 . 1 . . . . B 1053 MET CB . 30500 1 57 . 1 1 9 9 MET CG C 13 32.248 0.15 . 1 . . . . B 1053 MET CG . 30500 1 58 . 1 1 9 9 MET CE C 13 16.916 0.15 . 1 . . . . B 1053 MET CE . 30500 1 59 . 1 1 9 9 MET N N 15 122.777 0.2 . 1 . . . . B 1053 MET N . 30500 1 60 . 1 1 10 10 THR H H 1 8.289 0.01 . 1 . . . . B 1054 THR H . 30500 1 61 . 1 1 10 10 THR HA H 1 4.783 0.01 . 1 . . . . B 1054 THR HA . 30500 1 62 . 1 1 10 10 THR HB H 1 4.738 0.01 . 1 . . . . B 1054 THR HB . 30500 1 63 . 1 1 10 10 THR HG1 H 1 5.698 0.01 . 1 . . . . B 1054 THR HG1 . 30500 1 64 . 1 1 10 10 THR HG21 H 1 1.321 0.01 . 1 . . . . B 1054 THR HG21 . 30500 1 65 . 1 1 10 10 THR HG22 H 1 1.321 0.01 . 1 . . . . B 1054 THR HG22 . 30500 1 66 . 1 1 10 10 THR HG23 H 1 1.321 0.01 . 1 . . . . B 1054 THR HG23 . 30500 1 67 . 1 1 10 10 THR CA C 13 59.397 0.15 . 1 . . . . B 1054 THR CA . 30500 1 68 . 1 1 10 10 THR CB C 13 68.457 0.15 . 1 . . . . B 1054 THR CB . 30500 1 69 . 1 1 10 10 THR CG2 C 13 21.967 0.15 . 1 . . . . B 1054 THR CG2 . 30500 1 70 . 1 1 10 10 THR N N 15 112.194 0.2 . 1 . . . . B 1054 THR N . 30500 1 71 . 1 1 11 11 PRO HA H 1 3.785 0.01 . 1 . . . . B 1055 PRO HA . 30500 1 72 . 1 1 11 11 PRO HB2 H 1 1.861 0.01 . 2 . . . . B 1055 PRO HB2 . 30500 1 73 . 1 1 11 11 PRO HB3 H 1 1.678 0.01 . 2 . . . . B 1055 PRO HB3 . 30500 1 74 . 1 1 11 11 PRO HG2 H 1 2.098 0.01 . 2 . . . . B 1055 PRO HG2 . 30500 1 75 . 1 1 11 11 PRO HG3 H 1 1.029 0.01 . 2 . . . . B 1055 PRO HG3 . 30500 1 76 . 1 1 11 11 PRO HD2 H 1 3.922 0.01 . 2 . . . . B 1055 PRO HD2 . 30500 1 77 . 1 1 11 11 PRO HD3 H 1 3.78 0.01 . 2 . . . . B 1055 PRO HD3 . 30500 1 78 . 1 1 11 11 PRO C C 13 177.094 0.15 . 1 . . . . B 1055 PRO C . 30500 1 79 . 1 1 11 11 PRO CA C 13 65.603 0.15 . 1 . . . . B 1055 PRO CA . 30500 1 80 . 1 1 11 11 PRO CB C 13 31.619 0.15 . 1 . . . . B 1055 PRO CB . 30500 1 81 . 1 1 11 11 PRO CG C 13 28.119 0.15 . 1 . . . . B 1055 PRO CG . 30500 1 82 . 1 1 11 11 PRO CD C 13 50.397 0.15 . 1 . . . . B 1055 PRO CD . 30500 1 83 . 1 1 12 12 GLU H H 1 8.542 0.01 . 1 . . . . B 1056 GLU H . 30500 1 84 . 1 1 12 12 GLU HA H 1 3.864 0.01 . 1 . . . . B 1056 GLU HA . 30500 1 85 . 1 1 12 12 GLU HB2 H 1 2.024 0.01 . 2 . . . . B 1056 GLU HB2 . 30500 1 86 . 1 1 12 12 GLU HB3 H 1 1.911 0.01 . 2 . . . . B 1056 GLU HB3 . 30500 1 87 . 1 1 12 12 GLU HG2 H 1 2.402 0.01 . 2 . . . . B 1056 GLU HG2 . 30500 1 88 . 1 1 12 12 GLU HG3 H 1 2.341 0.01 . 2 . . . . B 1056 GLU HG3 . 30500 1 89 . 1 1 12 12 GLU C C 13 179.469 0.15 . 1 . . . . B 1056 GLU C . 30500 1 90 . 1 1 12 12 GLU CA C 13 59.862 0.15 . 1 . . . . B 1056 GLU CA . 30500 1 91 . 1 1 12 12 GLU CB C 13 29.042 0.15 . 1 . . . . B 1056 GLU CB . 30500 1 92 . 1 1 12 12 GLU CG C 13 37.216 0.15 . 1 . . . . B 1056 GLU CG . 30500 1 93 . 1 1 12 12 GLU N N 15 114.422 0.2 . 1 . . . . B 1056 GLU N . 30500 1 94 . 1 1 13 13 GLN H H 1 7.867 0.01 . 1 . . . . B 1057 GLN H . 30500 1 95 . 1 1 13 13 GLN HA H 1 3.926 0.01 . 1 . . . . B 1057 GLN HA . 30500 1 96 . 1 1 13 13 GLN HB2 H 1 2.28 0.01 . 2 . . . . B 1057 GLN HB2 . 30500 1 97 . 1 1 13 13 GLN HB3 H 1 1.932 0.01 . 2 . . . . B 1057 GLN HB3 . 30500 1 98 . 1 1 13 13 GLN HG2 H 1 2.393 0.01 . 2 . . . . B 1057 GLN HG2 . 30500 1 99 . 1 1 13 13 GLN HG3 H 1 2.393 0.01 . 2 . . . . B 1057 GLN HG3 . 30500 1 100 . 1 1 13 13 GLN HE21 H 1 6.897 0.01 . 2 . . . . B 1057 GLN HE21 . 30500 1 101 . 1 1 13 13 GLN HE22 H 1 7.898 0.01 . 2 . . . . B 1057 GLN HE22 . 30500 1 102 . 1 1 13 13 GLN C C 13 178.791 0.15 . 1 . . . . B 1057 GLN C . 30500 1 103 . 1 1 13 13 GLN CA C 13 58.475 0.15 . 1 . . . . B 1057 GLN CA . 30500 1 104 . 1 1 13 13 GLN CB C 13 28.119 0.15 . 1 . . . . B 1057 GLN CB . 30500 1 105 . 1 1 13 13 GLN CG C 13 33.684 0.15 . 1 . . . . B 1057 GLN CG . 30500 1 106 . 1 1 13 13 GLN N N 15 120.235 0.2 . 1 . . . . B 1057 GLN N . 30500 1 107 . 1 1 13 13 GLN NE2 N 15 112.042 0.2 . 1 . . . . B 1057 GLN NE2 . 30500 1 108 . 1 1 14 14 MET H H 1 7.954 0.01 . 1 . . . . B 1058 MET H . 30500 1 109 . 1 1 14 14 MET HA H 1 3.395 0.01 . 1 . . . . B 1058 MET HA . 30500 1 110 . 1 1 14 14 MET HB2 H 1 1.884 0.01 . 2 . . . . B 1058 MET HB2 . 30500 1 111 . 1 1 14 14 MET HB3 H 1 1.296 0.01 . 2 . . . . B 1058 MET HB3 . 30500 1 112 . 1 1 14 14 MET HG2 H 1 1.834 0.01 . 2 . . . . B 1058 MET HG2 . 30500 1 113 . 1 1 14 14 MET HG3 H 1 1.563 0.01 . 2 . . . . B 1058 MET HG3 . 30500 1 114 . 1 1 14 14 MET HE1 H 1 1.686 0.01 . 1 . . . . B 1058 MET HE1 . 30500 1 115 . 1 1 14 14 MET HE2 H 1 1.686 0.01 . 1 . . . . B 1058 MET HE2 . 30500 1 116 . 1 1 14 14 MET HE3 H 1 1.686 0.01 . 1 . . . . B 1058 MET HE3 . 30500 1 117 . 1 1 14 14 MET C C 13 176.866 0.15 . 1 . . . . B 1058 MET C . 30500 1 118 . 1 1 14 14 MET CA C 13 59.987 0.15 . 1 . . . . B 1058 MET CA . 30500 1 119 . 1 1 14 14 MET CB C 13 33.79 0.15 . 1 . . . . B 1058 MET CB . 30500 1 120 . 1 1 14 14 MET CG C 13 32.893 0.15 . 1 . . . . B 1058 MET CG . 30500 1 121 . 1 1 14 14 MET CE C 13 18.001 0.15 . 1 . . . . B 1058 MET CE . 30500 1 122 . 1 1 14 14 MET N N 15 119.811 0.2 . 1 . . . . B 1058 MET N . 30500 1 123 . 1 1 15 15 ALA H H 1 8.499 0.01 . 1 . . . . B 1059 ALA H . 30500 1 124 . 1 1 15 15 ALA HA H 1 3.767 0.01 . 1 . . . . B 1059 ALA HA . 30500 1 125 . 1 1 15 15 ALA HB1 H 1 1.163 0.01 . 1 . . . . B 1059 ALA HB1 . 30500 1 126 . 1 1 15 15 ALA HB2 H 1 1.163 0.01 . 1 . . . . B 1059 ALA HB2 . 30500 1 127 . 1 1 15 15 ALA HB3 H 1 1.163 0.01 . 1 . . . . B 1059 ALA HB3 . 30500 1 128 . 1 1 15 15 ALA C C 13 179.009 0.15 . 1 . . . . B 1059 ALA C . 30500 1 129 . 1 1 15 15 ALA CA C 13 54.932 0.15 . 1 . . . . B 1059 ALA CA . 30500 1 130 . 1 1 15 15 ALA CB C 13 17.864 0.15 . 1 . . . . B 1059 ALA CB . 30500 1 131 . 1 1 15 15 ALA N N 15 120.275 0.2 . 1 . . . . B 1059 ALA N . 30500 1 132 . 1 1 16 16 LYS H H 1 7.898 0.01 . 1 . . . . B 1060 LYS H . 30500 1 133 . 1 1 16 16 LYS HA H 1 3.968 0.01 . 1 . . . . B 1060 LYS HA . 30500 1 134 . 1 1 16 16 LYS HB2 H 1 1.882 0.01 . 2 . . . . B 1060 LYS HB2 . 30500 1 135 . 1 1 16 16 LYS HB3 H 1 1.882 0.01 . 2 . . . . B 1060 LYS HB3 . 30500 1 136 . 1 1 16 16 LYS HG2 H 1 1.434 0.01 . 2 . . . . B 1060 LYS HG2 . 30500 1 137 . 1 1 16 16 LYS HG3 H 1 1.31 0.01 . 2 . . . . B 1060 LYS HG3 . 30500 1 138 . 1 1 16 16 LYS HD2 H 1 1.625 0.01 . 2 . . . . B 1060 LYS HD2 . 30500 1 139 . 1 1 16 16 LYS HD3 H 1 1.625 0.01 . 2 . . . . B 1060 LYS HD3 . 30500 1 140 . 1 1 16 16 LYS HE2 H 1 2.93 0.01 . 2 . . . . B 1060 LYS HE2 . 30500 1 141 . 1 1 16 16 LYS HE3 H 1 2.93 0.01 . 2 . . . . B 1060 LYS HE3 . 30500 1 142 . 1 1 16 16 LYS C C 13 179.059 0.15 . 1 . . . . B 1060 LYS C . 30500 1 143 . 1 1 16 16 LYS CA C 13 59.621 0.15 . 1 . . . . B 1060 LYS CA . 30500 1 144 . 1 1 16 16 LYS CB C 13 32.366 0.15 . 1 . . . . B 1060 LYS CB . 30500 1 145 . 1 1 16 16 LYS CG C 13 24.664 0.15 . 1 . . . . B 1060 LYS CG . 30500 1 146 . 1 1 16 16 LYS CD C 13 29.361 0.15 . 1 . . . . B 1060 LYS CD . 30500 1 147 . 1 1 16 16 LYS CE C 13 42.115 0.15 . 1 . . . . B 1060 LYS CE . 30500 1 148 . 1 1 16 16 LYS N N 15 119.811 0.2 . 1 . . . . B 1060 LYS N . 30500 1 149 . 1 1 17 17 GLU H H 1 7.936 0.01 . 1 . . . . B 1061 GLU H . 30500 1 150 . 1 1 17 17 GLU HA H 1 3.872 0.01 . 1 . . . . B 1061 GLU HA . 30500 1 151 . 1 1 17 17 GLU HB2 H 1 2.022 0.01 . 2 . . . . B 1061 GLU HB2 . 30500 1 152 . 1 1 17 17 GLU HB3 H 1 2.022 0.01 . 2 . . . . B 1061 GLU HB3 . 30500 1 153 . 1 1 17 17 GLU HG2 H 1 2.443 0.01 . 2 . . . . B 1061 GLU HG2 . 30500 1 154 . 1 1 17 17 GLU HG3 H 1 2.147 0.01 . 2 . . . . B 1061 GLU HG3 . 30500 1 155 . 1 1 17 17 GLU C C 13 179.683 0.15 . 1 . . . . B 1061 GLU C . 30500 1 156 . 1 1 17 17 GLU CA C 13 60.046 0.15 . 1 . . . . B 1061 GLU CA . 30500 1 157 . 1 1 17 17 GLU CB C 13 29.167 0.15 . 1 . . . . B 1061 GLU CB . 30500 1 158 . 1 1 17 17 GLU CG C 13 37.365 0.15 . 1 . . . . B 1061 GLU CG . 30500 1 159 . 1 1 17 17 GLU N N 15 120.275 0.2 . 1 . . . . B 1061 GLU N . 30500 1 160 . 1 1 18 18 MET H H 1 8.581 0.01 . 1 . . . . B 1062 MET H . 30500 1 161 . 1 1 18 18 MET HA H 1 3.657 0.01 . 1 . . . . B 1062 MET HA . 30500 1 162 . 1 1 18 18 MET HB2 H 1 2.302 0.01 . 2 . . . . B 1062 MET HB2 . 30500 1 163 . 1 1 18 18 MET HB3 H 1 1.052 0.01 . 2 . . . . B 1062 MET HB3 . 30500 1 164 . 1 1 18 18 MET HG2 H 1 2.025 0.01 . 2 . . . . B 1062 MET HG2 . 30500 1 165 . 1 1 18 18 MET HG3 H 1 1.426 0.01 . 2 . . . . B 1062 MET HG3 . 30500 1 166 . 1 1 18 18 MET HE1 H 1 1.926 0.01 . 1 . . . . B 1062 MET HE1 . 30500 1 167 . 1 1 18 18 MET HE2 H 1 1.926 0.01 . 1 . . . . B 1062 MET HE2 . 30500 1 168 . 1 1 18 18 MET HE3 H 1 1.926 0.01 . 1 . . . . B 1062 MET HE3 . 30500 1 169 . 1 1 18 18 MET C C 13 177.912 0.15 . 1 . . . . B 1062 MET C . 30500 1 170 . 1 1 18 18 MET CA C 13 60.629 0.15 . 1 . . . . B 1062 MET CA . 30500 1 171 . 1 1 18 18 MET CB C 13 33.178 0.15 . 1 . . . . B 1062 MET CB . 30500 1 172 . 1 1 18 18 MET CG C 13 33.568 0.15 . 1 . . . . B 1062 MET CG . 30500 1 173 . 1 1 18 18 MET CE C 13 19.41 0.15 . 1 . . . . B 1062 MET CE . 30500 1 174 . 1 1 18 18 MET N N 15 118.455 0.2 . 1 . . . . B 1062 MET N . 30500 1 175 . 1 1 19 19 SER H H 1 8.172 0.01 . 1 . . . . B 1063 SER H . 30500 1 176 . 1 1 19 19 SER HA H 1 3.969 0.01 . 1 . . . . B 1063 SER HA . 30500 1 177 . 1 1 19 19 SER HB2 H 1 4.042 0.01 . 2 . . . . B 1063 SER HB2 . 30500 1 178 . 1 1 19 19 SER HB3 H 1 3.983 0.01 . 2 . . . . B 1063 SER HB3 . 30500 1 179 . 1 1 19 19 SER C C 13 177.259 0.15 . 1 . . . . B 1063 SER C . 30500 1 180 . 1 1 19 19 SER CA C 13 62.112 0.15 . 1 . . . . B 1063 SER CA . 30500 1 181 . 1 1 19 19 SER CB C 13 62.59 0.15 . 1 . . . . B 1063 SER CB . 30500 1 182 . 1 1 19 19 SER N N 15 113.683 0.2 . 1 . . . . B 1063 SER N . 30500 1 183 . 1 1 20 20 GLU H H 1 8.161 0.01 . 1 . . . . B 1064 GLU H . 30500 1 184 . 1 1 20 20 GLU HA H 1 4.054 0.01 . 1 . . . . B 1064 GLU HA . 30500 1 185 . 1 1 20 20 GLU HB2 H 1 2.089 0.01 . 2 . . . . B 1064 GLU HB2 . 30500 1 186 . 1 1 20 20 GLU HB3 H 1 1.916 0.01 . 2 . . . . B 1064 GLU HB3 . 30500 1 187 . 1 1 20 20 GLU HG2 H 1 2.388 0.01 . 2 . . . . B 1064 GLU HG2 . 30500 1 188 . 1 1 20 20 GLU HG3 H 1 2.166 0.01 . 2 . . . . B 1064 GLU HG3 . 30500 1 189 . 1 1 20 20 GLU C C 13 179.828 0.15 . 1 . . . . B 1064 GLU C . 30500 1 190 . 1 1 20 20 GLU CA C 13 59.239 0.15 . 1 . . . . B 1064 GLU CA . 30500 1 191 . 1 1 20 20 GLU CB C 13 28.806 0.15 . 1 . . . . B 1064 GLU CB . 30500 1 192 . 1 1 20 20 GLU CG C 13 36.383 0.15 . 1 . . . . B 1064 GLU CG . 30500 1 193 . 1 1 20 20 GLU N N 15 123.714 0.2 . 1 . . . . B 1064 GLU N . 30500 1 194 . 1 1 21 21 PHE H H 1 8.236 0.01 . 1 . . . . B 1065 PHE H . 30500 1 195 . 1 1 21 21 PHE HA H 1 4.391 0.01 . 1 . . . . B 1065 PHE HA . 30500 1 196 . 1 1 21 21 PHE HB2 H 1 3.415 0.01 . 2 . . . . B 1065 PHE HB2 . 30500 1 197 . 1 1 21 21 PHE HB3 H 1 3.22 0.01 . 2 . . . . B 1065 PHE HB3 . 30500 1 198 . 1 1 21 21 PHE HD1 H 1 7.275 0.01 . 3 . . . . B 1065 PHE HD1 . 30500 1 199 . 1 1 21 21 PHE HD2 H 1 7.275 0.01 . 3 . . . . B 1065 PHE HD2 . 30500 1 200 . 1 1 21 21 PHE HE1 H 1 7.384 0.01 . 3 . . . . B 1065 PHE HE1 . 30500 1 201 . 1 1 21 21 PHE HE2 H 1 7.384 0.01 . 3 . . . . B 1065 PHE HE2 . 30500 1 202 . 1 1 21 21 PHE HZ H 1 7.18 0.01 . 1 . . . . B 1065 PHE HZ . 30500 1 203 . 1 1 21 21 PHE C C 13 179.604 0.15 . 1 . . . . B 1065 PHE C . 30500 1 204 . 1 1 21 21 PHE CA C 13 61.724 0.15 . 1 . . . . B 1065 PHE CA . 30500 1 205 . 1 1 21 21 PHE CB C 13 38.99 0.15 . 1 . . . . B 1065 PHE CB . 30500 1 206 . 1 1 21 21 PHE CD1 C 13 131.694 0.15 . 3 . . . . B 1065 PHE CD1 . 30500 1 207 . 1 1 21 21 PHE CD2 C 13 131.694 0.15 . 3 . . . . B 1065 PHE CD2 . 30500 1 208 . 1 1 21 21 PHE CE1 C 13 131.694 0.15 . 3 . . . . B 1065 PHE CE1 . 30500 1 209 . 1 1 21 21 PHE CE2 C 13 131.694 0.15 . 3 . . . . B 1065 PHE CE2 . 30500 1 210 . 1 1 21 21 PHE CZ C 13 131.694 0.15 . 1 . . . . B 1065 PHE CZ . 30500 1 211 . 1 1 21 21 PHE N N 15 119.066 0.2 . 1 . . . . B 1065 PHE N . 30500 1 212 . 1 1 22 22 LEU H H 1 8.208 0.01 . 1 . . . . B 1066 LEU H . 30500 1 213 . 1 1 22 22 LEU HA H 1 4.153 0.01 . 1 . . . . B 1066 LEU HA . 30500 1 214 . 1 1 22 22 LEU HB2 H 1 2.011 0.01 . 2 . . . . B 1066 LEU HB2 . 30500 1 215 . 1 1 22 22 LEU HB3 H 1 1.592 0.01 . 2 . . . . B 1066 LEU HB3 . 30500 1 216 . 1 1 22 22 LEU HG H 1 2.086 0.01 . 1 . . . . B 1066 LEU HG . 30500 1 217 . 1 1 22 22 LEU HD11 H 1 0.8 0.01 . 2 . . . . B 1066 LEU HD11 . 30500 1 218 . 1 1 22 22 LEU HD12 H 1 0.8 0.01 . 2 . . . . B 1066 LEU HD12 . 30500 1 219 . 1 1 22 22 LEU HD13 H 1 0.8 0.01 . 2 . . . . B 1066 LEU HD13 . 30500 1 220 . 1 1 22 22 LEU HD21 H 1 1.066 0.01 . 2 . . . . B 1066 LEU HD21 . 30500 1 221 . 1 1 22 22 LEU HD22 H 1 1.066 0.01 . 2 . . . . B 1066 LEU HD22 . 30500 1 222 . 1 1 22 22 LEU HD23 H 1 1.066 0.01 . 2 . . . . B 1066 LEU HD23 . 30500 1 223 . 1 1 22 22 LEU C C 13 179.007 0.15 . 1 . . . . B 1066 LEU C . 30500 1 224 . 1 1 22 22 LEU CA C 13 57.169 0.15 . 1 . . . . B 1066 LEU CA . 30500 1 225 . 1 1 22 22 LEU CB C 13 41.47 0.15 . 1 . . . . B 1066 LEU CB . 30500 1 226 . 1 1 22 22 LEU CG C 13 26.373 0.15 . 1 . . . . B 1066 LEU CG . 30500 1 227 . 1 1 22 22 LEU CD1 C 13 25.624 0.15 . 2 . . . . B 1066 LEU CD1 . 30500 1 228 . 1 1 22 22 LEU CD2 C 13 23.069 0.15 . 2 . . . . B 1066 LEU CD2 . 30500 1 229 . 1 1 22 22 LEU N N 15 118.29 0.2 . 1 . . . . B 1066 LEU N . 30500 1 230 . 1 1 23 23 SER H H 1 8.038 0.01 . 1 . . . . B 1067 SER H . 30500 1 231 . 1 1 23 23 SER HA H 1 4.374 0.01 . 1 . . . . B 1067 SER HA . 30500 1 232 . 1 1 23 23 SER HB2 H 1 4.032 0.01 . 2 . . . . B 1067 SER HB2 . 30500 1 233 . 1 1 23 23 SER HB3 H 1 3.987 0.01 . 2 . . . . B 1067 SER HB3 . 30500 1 234 . 1 1 23 23 SER C C 13 174.692 0.15 . 1 . . . . B 1067 SER C . 30500 1 235 . 1 1 23 23 SER CA C 13 60.301 0.15 . 1 . . . . B 1067 SER CA . 30500 1 236 . 1 1 23 23 SER CB C 13 63.303 0.15 . 1 . . . . B 1067 SER CB . 30500 1 237 . 1 1 23 23 SER N N 15 114.809 0.2 . 1 . . . . B 1067 SER N . 30500 1 238 . 1 1 24 24 ARG H H 1 7.48 0.01 . 1 . . . . B 1068 ARG H . 30500 1 239 . 1 1 24 24 ARG HA H 1 4.444 0.01 . 1 . . . . B 1068 ARG HA . 30500 1 240 . 1 1 24 24 ARG HB2 H 1 2 0.01 . 2 . . . . B 1068 ARG HB2 . 30500 1 241 . 1 1 24 24 ARG HB3 H 1 1.8 0.01 . 2 . . . . B 1068 ARG HB3 . 30500 1 242 . 1 1 24 24 ARG HG2 H 1 1.807 0.01 . 2 . . . . B 1068 ARG HG2 . 30500 1 243 . 1 1 24 24 ARG HG3 H 1 1.683 0.01 . 2 . . . . B 1068 ARG HG3 . 30500 1 244 . 1 1 24 24 ARG HD2 H 1 3.192 0.01 . 2 . . . . B 1068 ARG HD2 . 30500 1 245 . 1 1 24 24 ARG HD3 H 1 3.115 0.01 . 2 . . . . B 1068 ARG HD3 . 30500 1 246 . 1 1 24 24 ARG HE H 1 7.378 0.01 . 1 . . . . B 1068 ARG HE . 30500 1 247 . 1 1 24 24 ARG C C 13 176.326 0.15 . 1 . . . . B 1068 ARG C . 30500 1 248 . 1 1 24 24 ARG CA C 13 56.217 0.15 . 1 . . . . B 1068 ARG CA . 30500 1 249 . 1 1 24 24 ARG CB C 13 31.096 0.15 . 1 . . . . B 1068 ARG CB . 30500 1 250 . 1 1 24 24 ARG CG C 13 27.092 0.15 . 1 . . . . B 1068 ARG CG . 30500 1 251 . 1 1 24 24 ARG CD C 13 43.677 0.15 . 1 . . . . B 1068 ARG CD . 30500 1 252 . 1 1 24 24 ARG N N 15 120.005 0.2 . 1 . . . . B 1068 ARG N . 30500 1 253 . 1 1 24 24 ARG NE N 15 84.46 0.2 . 1 . . . . B 1068 ARG NE . 30500 1 254 . 1 1 25 25 GLY H H 1 7.811 0.01 . 1 . . . . B 1069 GLY H . 30500 1 255 . 1 1 25 25 GLY HA2 H 1 4.253 0.01 . 2 . . . . B 1069 GLY HA2 . 30500 1 256 . 1 1 25 25 GLY HA3 H 1 3.843 0.01 . 2 . . . . B 1069 GLY HA3 . 30500 1 257 . 1 1 25 25 GLY CA C 13 44.458 0.15 . 1 . . . . B 1069 GLY CA . 30500 1 258 . 1 1 25 25 GLY N N 15 108.308 0.2 . 1 . . . . B 1069 GLY N . 30500 1 259 . 1 1 26 26 PRO HA H 1 4.427 0.01 . 1 . . . . B 1070 PRO HA . 30500 1 260 . 1 1 26 26 PRO HB2 H 1 2.278 0.01 . 2 . . . . B 1070 PRO HB2 . 30500 1 261 . 1 1 26 26 PRO HB3 H 1 1.923 0.01 . 2 . . . . B 1070 PRO HB3 . 30500 1 262 . 1 1 26 26 PRO HG2 H 1 1.978 0.01 . 2 . . . . B 1070 PRO HG2 . 30500 1 263 . 1 1 26 26 PRO HG3 H 1 1.978 0.01 . 2 . . . . B 1070 PRO HG3 . 30500 1 264 . 1 1 26 26 PRO HD2 H 1 3.602 0.01 . 2 . . . . B 1070 PRO HD2 . 30500 1 265 . 1 1 26 26 PRO HD3 H 1 3.489 0.01 . 2 . . . . B 1070 PRO HD3 . 30500 1 266 . 1 1 26 26 PRO C C 13 176.764 0.15 . 1 . . . . B 1070 PRO C . 30500 1 267 . 1 1 26 26 PRO CA C 13 62.543 0.15 . 1 . . . . B 1070 PRO CA . 30500 1 268 . 1 1 26 26 PRO CB C 13 32.226 0.15 . 1 . . . . B 1070 PRO CB . 30500 1 269 . 1 1 26 26 PRO CG C 13 27.139 0.15 . 1 . . . . B 1070 PRO CG . 30500 1 270 . 1 1 26 26 PRO CD C 13 49.63 0.15 . 1 . . . . B 1070 PRO CD . 30500 1 271 . 1 1 27 27 ALA H H 1 8.525 0.01 . 1 . . . . B 1071 ALA H . 30500 1 272 . 1 1 27 27 ALA HA H 1 4.236 0.01 . 1 . . . . B 1071 ALA HA . 30500 1 273 . 1 1 27 27 ALA HB1 H 1 1.34 0.01 . 1 . . . . B 1071 ALA HB1 . 30500 1 274 . 1 1 27 27 ALA HB2 H 1 1.34 0.01 . 1 . . . . B 1071 ALA HB2 . 30500 1 275 . 1 1 27 27 ALA HB3 H 1 1.34 0.01 . 1 . . . . B 1071 ALA HB3 . 30500 1 276 . 1 1 27 27 ALA C C 13 177.921 0.15 . 1 . . . . B 1071 ALA C . 30500 1 277 . 1 1 27 27 ALA CA C 13 52.853 0.15 . 1 . . . . B 1071 ALA CA . 30500 1 278 . 1 1 27 27 ALA CB C 13 18.799 0.15 . 1 . . . . B 1071 ALA CB . 30500 1 279 . 1 1 27 27 ALA N N 15 124.583 0.2 . 1 . . . . B 1071 ALA N . 30500 1 280 . 1 1 28 28 VAL H H 1 8.209 0.01 . 1 . . . . B 1072 VAL H . 30500 1 281 . 1 1 28 28 VAL HA H 1 3.968 0.01 . 1 . . . . B 1072 VAL HA . 30500 1 282 . 1 1 28 28 VAL HB H 1 1.883 0.01 . 1 . . . . B 1072 VAL HB . 30500 1 283 . 1 1 28 28 VAL HG11 H 1 0.807 0.01 . 2 . . . . B 1072 VAL HG11 . 30500 1 284 . 1 1 28 28 VAL HG12 H 1 0.807 0.01 . 2 . . . . B 1072 VAL HG12 . 30500 1 285 . 1 1 28 28 VAL HG13 H 1 0.807 0.01 . 2 . . . . B 1072 VAL HG13 . 30500 1 286 . 1 1 28 28 VAL HG21 H 1 0.879 0.01 . 2 . . . . B 1072 VAL HG21 . 30500 1 287 . 1 1 28 28 VAL HG22 H 1 0.879 0.01 . 2 . . . . B 1072 VAL HG22 . 30500 1 288 . 1 1 28 28 VAL HG23 H 1 0.879 0.01 . 2 . . . . B 1072 VAL HG23 . 30500 1 289 . 1 1 28 28 VAL C C 13 175.895 0.15 . 1 . . . . B 1072 VAL C . 30500 1 290 . 1 1 28 28 VAL CA C 13 62.299 0.15 . 1 . . . . B 1072 VAL CA . 30500 1 291 . 1 1 28 28 VAL CB C 13 32.42 0.15 . 1 . . . . B 1072 VAL CB . 30500 1 292 . 1 1 28 28 VAL CG1 C 13 21.129 0.15 . 2 . . . . B 1072 VAL CG1 . 30500 1 293 . 1 1 28 28 VAL CG2 C 13 20.741 0.15 . 2 . . . . B 1072 VAL CG2 . 30500 1 294 . 1 1 28 28 VAL N N 15 120.398 0.2 . 1 . . . . B 1072 VAL N . 30500 1 295 . 1 1 29 29 LEU H H 1 8.421 0.01 . 1 . . . . B 1073 LEU H . 30500 1 296 . 1 1 29 29 LEU HA H 1 4.335 0.01 . 1 . . . . B 1073 LEU HA . 30500 1 297 . 1 1 29 29 LEU HB2 H 1 1.597 0.01 . 2 . . . . B 1073 LEU HB2 . 30500 1 298 . 1 1 29 29 LEU HB3 H 1 1.526 0.01 . 2 . . . . B 1073 LEU HB3 . 30500 1 299 . 1 1 29 29 LEU HG H 1 1.592 0.01 . 1 . . . . B 1073 LEU HG . 30500 1 300 . 1 1 29 29 LEU HD11 H 1 0.826 0.01 . 2 . . . . B 1073 LEU HD11 . 30500 1 301 . 1 1 29 29 LEU HD12 H 1 0.826 0.01 . 2 . . . . B 1073 LEU HD12 . 30500 1 302 . 1 1 29 29 LEU HD13 H 1 0.826 0.01 . 2 . . . . B 1073 LEU HD13 . 30500 1 303 . 1 1 29 29 LEU HD21 H 1 0.887 0.01 . 2 . . . . B 1073 LEU HD21 . 30500 1 304 . 1 1 29 29 LEU HD22 H 1 0.887 0.01 . 2 . . . . B 1073 LEU HD22 . 30500 1 305 . 1 1 29 29 LEU HD23 H 1 0.887 0.01 . 2 . . . . B 1073 LEU HD23 . 30500 1 306 . 1 1 29 29 LEU C C 13 176.893 0.15 . 1 . . . . B 1073 LEU C . 30500 1 307 . 1 1 29 29 LEU CA C 13 54.631 0.15 . 1 . . . . B 1073 LEU CA . 30500 1 308 . 1 1 29 29 LEU CB C 13 42.453 0.15 . 1 . . . . B 1073 LEU CB . 30500 1 309 . 1 1 29 29 LEU CG C 13 26.984 0.15 . 1 . . . . B 1073 LEU CG . 30500 1 310 . 1 1 29 29 LEU CD1 C 13 23.444 0.15 . 2 . . . . B 1073 LEU CD1 . 30500 1 311 . 1 1 29 29 LEU CD2 C 13 24.839 0.15 . 2 . . . . B 1073 LEU CD2 . 30500 1 312 . 1 1 29 29 LEU N N 15 126.797 0.2 . 1 . . . . B 1073 LEU N . 30500 1 313 . 1 1 30 30 ALA H H 1 8.385 0.01 . 1 . . . . B 1074 ALA H . 30500 1 314 . 1 1 30 30 ALA HA H 1 4.233 0.01 . 1 . . . . B 1074 ALA HA . 30500 1 315 . 1 1 30 30 ALA HB1 H 1 1.362 0.01 . 1 . . . . B 1074 ALA HB1 . 30500 1 316 . 1 1 30 30 ALA HB2 H 1 1.362 0.01 . 1 . . . . B 1074 ALA HB2 . 30500 1 317 . 1 1 30 30 ALA HB3 H 1 1.362 0.01 . 1 . . . . B 1074 ALA HB3 . 30500 1 318 . 1 1 30 30 ALA C C 13 177.831 0.15 . 1 . . . . B 1074 ALA C . 30500 1 319 . 1 1 30 30 ALA CA C 13 52.504 0.15 . 1 . . . . B 1074 ALA CA . 30500 1 320 . 1 1 30 30 ALA CB C 13 18.984 0.15 . 1 . . . . B 1074 ALA CB . 30500 1 321 . 1 1 30 30 ALA N N 15 125.201 0.2 . 1 . . . . B 1074 ALA N . 30500 1 322 . 1 1 31 31 THR H H 1 8.052 0.01 . 1 . . . . B 1075 THR H . 30500 1 323 . 1 1 31 31 THR HA H 1 4.265 0.01 . 1 . . . . B 1075 THR HA . 30500 1 324 . 1 1 31 31 THR HB H 1 4.18 0.01 . 1 . . . . B 1075 THR HB . 30500 1 325 . 1 1 31 31 THR HG21 H 1 1.18 0.01 . 1 . . . . B 1075 THR HG21 . 30500 1 326 . 1 1 31 31 THR HG22 H 1 1.18 0.01 . 1 . . . . B 1075 THR HG22 . 30500 1 327 . 1 1 31 31 THR HG23 H 1 1.18 0.01 . 1 . . . . B 1075 THR HG23 . 30500 1 328 . 1 1 31 31 THR C C 13 177.494 0.15 . 1 . . . . B 1075 THR C . 30500 1 329 . 1 1 31 31 THR CA C 13 61.703 0.15 . 1 . . . . B 1075 THR CA . 30500 1 330 . 1 1 31 31 THR CB C 13 69.915 0.15 . 1 . . . . B 1075 THR CB . 30500 1 331 . 1 1 31 31 THR CG2 C 13 21.609 0.15 . 1 . . . . B 1075 THR CG2 . 30500 1 332 . 1 1 31 31 THR N N 15 113.171 0.2 . 1 . . . . B 1075 THR N . 30500 1 333 . 1 1 32 32 LYS H H 1 8.344 0.01 . 1 . . . . B 1076 LYS H . 30500 1 334 . 1 1 32 32 LYS HA H 1 4.271 0.01 . 1 . . . . B 1076 LYS HA . 30500 1 335 . 1 1 32 32 LYS HB2 H 1 1.814 0.01 . 2 . . . . B 1076 LYS HB2 . 30500 1 336 . 1 1 32 32 LYS HB3 H 1 1.736 0.01 . 2 . . . . B 1076 LYS HB3 . 30500 1 337 . 1 1 32 32 LYS HG2 H 1 1.408 0.01 . 2 . . . . B 1076 LYS HG2 . 30500 1 338 . 1 1 32 32 LYS HG3 H 1 1.408 0.01 . 2 . . . . B 1076 LYS HG3 . 30500 1 339 . 1 1 32 32 LYS HD2 H 1 1.665 0.01 . 2 . . . . B 1076 LYS HD2 . 30500 1 340 . 1 1 32 32 LYS HD3 H 1 1.665 0.01 . 2 . . . . B 1076 LYS HD3 . 30500 1 341 . 1 1 32 32 LYS HE2 H 1 2.969 0.01 . 2 . . . . B 1076 LYS HE2 . 30500 1 342 . 1 1 32 32 LYS HE3 H 1 2.969 0.01 . 2 . . . . B 1076 LYS HE3 . 30500 1 343 . 1 1 32 32 LYS C C 13 176.275 0.15 . 1 . . . . B 1076 LYS C . 30500 1 344 . 1 1 32 32 LYS CA C 13 56.228 0.15 . 1 . . . . B 1076 LYS CA . 30500 1 345 . 1 1 32 32 LYS CB C 13 32.903 0.15 . 1 . . . . B 1076 LYS CB . 30500 1 346 . 1 1 32 32 LYS CG C 13 24.593 0.15 . 1 . . . . B 1076 LYS CG . 30500 1 347 . 1 1 32 32 LYS CD C 13 28.929 0.15 . 1 . . . . B 1076 LYS CD . 30500 1 348 . 1 1 32 32 LYS CE C 13 42.037 0.15 . 1 . . . . B 1076 LYS CE . 30500 1 349 . 1 1 32 32 LYS N N 15 123.656 0.2 . 1 . . . . B 1076 LYS N . 30500 1 350 . 1 1 33 33 ALA H H 1 8.38 0.01 . 1 . . . . B 1077 ALA H . 30500 1 351 . 1 1 33 33 ALA HA H 1 4.301 0.01 . 1 . . . . B 1077 ALA HA . 30500 1 352 . 1 1 33 33 ALA HB1 H 1 1.366 0.01 . 1 . . . . B 1077 ALA HB1 . 30500 1 353 . 1 1 33 33 ALA HB2 H 1 1.366 0.01 . 1 . . . . B 1077 ALA HB2 . 30500 1 354 . 1 1 33 33 ALA HB3 H 1 1.366 0.01 . 1 . . . . B 1077 ALA HB3 . 30500 1 355 . 1 1 33 33 ALA C C 13 177.493 0.15 . 1 . . . . B 1077 ALA C . 30500 1 356 . 1 1 33 33 ALA CA C 13 52.261 0.15 . 1 . . . . B 1077 ALA CA . 30500 1 357 . 1 1 33 33 ALA CB C 13 19.059 0.15 . 1 . . . . B 1077 ALA CB . 30500 1 358 . 1 1 33 33 ALA N N 15 125.857 0.2 . 1 . . . . B 1077 ALA N . 30500 1 359 . 1 1 34 34 ALA H H 1 8.371 0.01 . 1 . . . . B 1078 ALA H . 30500 1 360 . 1 1 34 34 ALA HA H 1 4.247 0.01 . 1 . . . . B 1078 ALA HA . 30500 1 361 . 1 1 34 34 ALA HB1 H 1 1.368 0.01 . 1 . . . . B 1078 ALA HB1 . 30500 1 362 . 1 1 34 34 ALA HB2 H 1 1.368 0.01 . 1 . . . . B 1078 ALA HB2 . 30500 1 363 . 1 1 34 34 ALA HB3 H 1 1.368 0.01 . 1 . . . . B 1078 ALA HB3 . 30500 1 364 . 1 1 34 34 ALA C C 13 177.611 0.15 . 1 . . . . B 1078 ALA C . 30500 1 365 . 1 1 34 34 ALA CA C 13 52.166 0.15 . 1 . . . . B 1078 ALA CA . 30500 1 366 . 1 1 34 34 ALA CB C 13 19.07 0.15 . 1 . . . . B 1078 ALA CB . 30500 1 367 . 1 1 34 34 ALA N N 15 123.841 0.2 . 1 . . . . B 1078 ALA N . 30500 1 368 . 1 1 35 35 ALA H H 1 8.426 0.01 . 1 . . . . B 1079 ALA H . 30500 1 369 . 1 1 35 35 ALA HA H 1 4.255 0.01 . 1 . . . . B 1079 ALA HA . 30500 1 370 . 1 1 35 35 ALA HB1 H 1 1.366 0.01 . 1 . . . . B 1079 ALA HB1 . 30500 1 371 . 1 1 35 35 ALA HB2 H 1 1.366 0.01 . 1 . . . . B 1079 ALA HB2 . 30500 1 372 . 1 1 35 35 ALA HB3 H 1 1.366 0.01 . 1 . . . . B 1079 ALA HB3 . 30500 1 373 . 1 1 35 35 ALA C C 13 178.407 0.15 . 1 . . . . B 1079 ALA C . 30500 1 374 . 1 1 35 35 ALA CA C 13 52.874 0.15 . 1 . . . . B 1079 ALA CA . 30500 1 375 . 1 1 35 35 ALA CB C 13 19.083 0.15 . 1 . . . . B 1079 ALA CB . 30500 1 376 . 1 1 35 35 ALA N N 15 123.741 0.2 . 1 . . . . B 1079 ALA N . 30500 1 377 . 1 1 36 36 GLY H H 1 8.482 0.01 . 1 . . . . B 1080 GLY H . 30500 1 378 . 1 1 36 36 GLY HA2 H 1 3.967 0.01 . 2 . . . . B 1080 GLY HA2 . 30500 1 379 . 1 1 36 36 GLY HA3 H 1 3.967 0.01 . 2 . . . . B 1080 GLY HA3 . 30500 1 380 . 1 1 36 36 GLY C C 13 174.384 0.15 . 1 . . . . B 1080 GLY C . 30500 1 381 . 1 1 36 36 GLY CA C 13 45.206 0.15 . 1 . . . . B 1080 GLY CA . 30500 1 382 . 1 1 36 36 GLY N N 15 108.317 0.2 . 1 . . . . B 1080 GLY N . 30500 1 383 . 1 1 37 37 THR H H 1 8.113 0.01 . 1 . . . . B 1081 THR H . 30500 1 384 . 1 1 37 37 THR HA H 1 4.267 0.01 . 1 . . . . B 1081 THR HA . 30500 1 385 . 1 1 37 37 THR HB H 1 4.159 0.01 . 1 . . . . B 1081 THR HB . 30500 1 386 . 1 1 37 37 THR HG21 H 1 1.156 0.01 . 1 . . . . B 1081 THR HG21 . 30500 1 387 . 1 1 37 37 THR HG22 H 1 1.156 0.01 . 1 . . . . B 1081 THR HG22 . 30500 1 388 . 1 1 37 37 THR HG23 H 1 1.156 0.01 . 1 . . . . B 1081 THR HG23 . 30500 1 389 . 1 1 37 37 THR C C 13 174.617 0.15 . 1 . . . . B 1081 THR C . 30500 1 390 . 1 1 37 37 THR CA C 13 62.042 0.15 . 1 . . . . B 1081 THR CA . 30500 1 391 . 1 1 37 37 THR CB C 13 69.877 0.15 . 1 . . . . B 1081 THR CB . 30500 1 392 . 1 1 37 37 THR CG2 C 13 21.658 0.15 . 1 . . . . B 1081 THR CG2 . 30500 1 393 . 1 1 37 37 THR N N 15 113.802 0.2 . 1 . . . . B 1081 THR N . 30500 1 394 . 1 1 38 38 LYS H H 1 8.458 0.01 . 1 . . . . B 1082 LYS H . 30500 1 395 . 1 1 38 38 LYS HA H 1 4.171 0.01 . 1 . . . . B 1082 LYS HA . 30500 1 396 . 1 1 38 38 LYS HB2 H 1 1.603 0.01 . 2 . . . . B 1082 LYS HB2 . 30500 1 397 . 1 1 38 38 LYS HB3 H 1 1.603 0.01 . 2 . . . . B 1082 LYS HB3 . 30500 1 398 . 1 1 38 38 LYS HG2 H 1 1.296 0.01 . 2 . . . . B 1082 LYS HG2 . 30500 1 399 . 1 1 38 38 LYS HG3 H 1 1.178 0.01 . 2 . . . . B 1082 LYS HG3 . 30500 1 400 . 1 1 38 38 LYS HD2 H 1 1.583 0.01 . 2 . . . . B 1082 LYS HD2 . 30500 1 401 . 1 1 38 38 LYS HD3 H 1 1.583 0.01 . 2 . . . . B 1082 LYS HD3 . 30500 1 402 . 1 1 38 38 LYS HE2 H 1 2.87 0.01 . 2 . . . . B 1082 LYS HE2 . 30500 1 403 . 1 1 38 38 LYS HE3 H 1 2.87 0.01 . 2 . . . . B 1082 LYS HE3 . 30500 1 404 . 1 1 38 38 LYS C C 13 175.763 0.15 . 1 . . . . B 1082 LYS C . 30500 1 405 . 1 1 38 38 LYS CA C 13 56.264 0.15 . 1 . . . . B 1082 LYS CA . 30500 1 406 . 1 1 38 38 LYS CB C 13 32.724 0.15 . 1 . . . . B 1082 LYS CB . 30500 1 407 . 1 1 38 38 LYS CG C 13 24.575 0.15 . 1 . . . . B 1082 LYS CG . 30500 1 408 . 1 1 38 38 LYS CD C 13 28.926 0.15 . 1 . . . . B 1082 LYS CD . 30500 1 409 . 1 1 38 38 LYS CE C 13 42.063 0.15 . 1 . . . . B 1082 LYS CE . 30500 1 410 . 1 1 38 38 LYS N N 15 124.752 0.2 . 1 . . . . B 1082 LYS N . 30500 1 411 . 1 1 39 39 LYS H H 1 8.304 0.01 . 1 . . . . B 1083 LYS H . 30500 1 412 . 1 1 39 39 LYS HA H 1 4.1 0.01 . 1 . . . . B 1083 LYS HA . 30500 1 413 . 1 1 39 39 LYS HB2 H 1 1.513 0.01 . 2 . . . . B 1083 LYS HB2 . 30500 1 414 . 1 1 39 39 LYS HB3 H 1 1.447 0.01 . 2 . . . . B 1083 LYS HB3 . 30500 1 415 . 1 1 39 39 LYS HG2 H 1 1.113 0.01 . 2 . . . . B 1083 LYS HG2 . 30500 1 416 . 1 1 39 39 LYS HG3 H 1 0.895 0.01 . 2 . . . . B 1083 LYS HG3 . 30500 1 417 . 1 1 39 39 LYS HD2 H 1 1.502 0.01 . 2 . . . . B 1083 LYS HD2 . 30500 1 418 . 1 1 39 39 LYS HD3 H 1 1.502 0.01 . 2 . . . . B 1083 LYS HD3 . 30500 1 419 . 1 1 39 39 LYS HE2 H 1 2.843 0.01 . 2 . . . . B 1083 LYS HE2 . 30500 1 420 . 1 1 39 39 LYS HE3 H 1 2.843 0.01 . 2 . . . . B 1083 LYS HE3 . 30500 1 421 . 1 1 39 39 LYS C C 13 175.946 0.15 . 1 . . . . B 1083 LYS C . 30500 1 422 . 1 1 39 39 LYS CA C 13 56.365 0.15 . 1 . . . . B 1083 LYS CA . 30500 1 423 . 1 1 39 39 LYS CB C 13 33.144 0.15 . 1 . . . . B 1083 LYS CB . 30500 1 424 . 1 1 39 39 LYS CG C 13 24.583 0.15 . 1 . . . . B 1083 LYS CG . 30500 1 425 . 1 1 39 39 LYS CD C 13 28.921 0.15 . 1 . . . . B 1083 LYS CD . 30500 1 426 . 1 1 39 39 LYS CE C 13 41.97 0.15 . 1 . . . . B 1083 LYS CE . 30500 1 427 . 1 1 39 39 LYS N N 15 123.65 0.2 . 1 . . . . B 1083 LYS N . 30500 1 428 . 1 1 40 40 TYR H H 1 8.267 0.01 . 1 . . . . B 1084 TYR H . 30500 1 429 . 1 1 40 40 TYR HA H 1 4.447 0.01 . 1 . . . . B 1084 TYR HA . 30500 1 430 . 1 1 40 40 TYR HB2 H 1 2.486 0.01 . 2 . . . . B 1084 TYR HB2 . 30500 1 431 . 1 1 40 40 TYR HB3 H 1 2.443 0.01 . 2 . . . . B 1084 TYR HB3 . 30500 1 432 . 1 1 40 40 TYR HD1 H 1 6.922 0.01 . 3 . . . . B 1084 TYR HD1 . 30500 1 433 . 1 1 40 40 TYR HD2 H 1 6.922 0.01 . 3 . . . . B 1084 TYR HD2 . 30500 1 434 . 1 1 40 40 TYR HE1 H 1 6.617 0.01 . 3 . . . . B 1084 TYR HE1 . 30500 1 435 . 1 1 40 40 TYR HE2 H 1 6.617 0.01 . 3 . . . . B 1084 TYR HE2 . 30500 1 436 . 1 1 40 40 TYR C C 13 174.64 0.15 . 1 . . . . B 1084 TYR C . 30500 1 437 . 1 1 40 40 TYR CA C 13 57.27 0.15 . 1 . . . . B 1084 TYR CA . 30500 1 438 . 1 1 40 40 TYR CB C 13 40.322 0.15 . 1 . . . . B 1084 TYR CB . 30500 1 439 . 1 1 40 40 TYR CD1 C 13 133.169 0.15 . 3 . . . . B 1084 TYR CD1 . 30500 1 440 . 1 1 40 40 TYR CD2 C 13 133.169 0.15 . 3 . . . . B 1084 TYR CD2 . 30500 1 441 . 1 1 40 40 TYR CE1 C 13 117.921 0.15 . 3 . . . . B 1084 TYR CE1 . 30500 1 442 . 1 1 40 40 TYR CE2 C 13 117.921 0.15 . 3 . . . . B 1084 TYR CE2 . 30500 1 443 . 1 1 40 40 TYR N N 15 119.03 0.2 . 1 . . . . B 1084 TYR N . 30500 1 444 . 1 1 41 41 ASP H H 1 8.704 0.01 . 1 . . . . B 1085 ASP H . 30500 1 445 . 1 1 41 41 ASP HA H 1 4.711 0.01 . 1 . . . . B 1085 ASP HA . 30500 1 446 . 1 1 41 41 ASP HB2 H 1 2.869 0.01 . 2 . . . . B 1085 ASP HB2 . 30500 1 447 . 1 1 41 41 ASP HB3 H 1 2.51 0.01 . 2 . . . . B 1085 ASP HB3 . 30500 1 448 . 1 1 41 41 ASP C C 13 175.891 0.15 . 1 . . . . B 1085 ASP C . 30500 1 449 . 1 1 41 41 ASP CA C 13 52.777 0.15 . 1 . . . . B 1085 ASP CA . 30500 1 450 . 1 1 41 41 ASP CB C 13 40.071 0.15 . 1 . . . . B 1085 ASP CB . 30500 1 451 . 1 1 41 41 ASP N N 15 120.397 0.2 . 1 . . . . B 1085 ASP N . 30500 1 452 . 1 1 42 42 LEU H H 1 8.912 0.01 . 1 . . . . B 1086 LEU H . 30500 1 453 . 1 1 42 42 LEU HA H 1 3.684 0.01 . 1 . . . . B 1086 LEU HA . 30500 1 454 . 1 1 42 42 LEU HB2 H 1 0.989 0.01 . 2 . . . . B 1086 LEU HB2 . 30500 1 455 . 1 1 42 42 LEU HB3 H 1 0.868 0.01 . 2 . . . . B 1086 LEU HB3 . 30500 1 456 . 1 1 42 42 LEU HG H 1 0.781 0.01 . 1 . . . . B 1086 LEU HG . 30500 1 457 . 1 1 42 42 LEU HD11 H 1 0.101 0.01 . 2 . . . . B 1086 LEU HD11 . 30500 1 458 . 1 1 42 42 LEU HD12 H 1 0.101 0.01 . 2 . . . . B 1086 LEU HD12 . 30500 1 459 . 1 1 42 42 LEU HD13 H 1 0.101 0.01 . 2 . . . . B 1086 LEU HD13 . 30500 1 460 . 1 1 42 42 LEU HD21 H 1 -0.791 0.01 . 2 . . . . B 1086 LEU HD21 . 30500 1 461 . 1 1 42 42 LEU HD22 H 1 -0.791 0.01 . 2 . . . . B 1086 LEU HD22 . 30500 1 462 . 1 1 42 42 LEU HD23 H 1 -0.791 0.01 . 2 . . . . B 1086 LEU HD23 . 30500 1 463 . 1 1 42 42 LEU C C 13 178.186 0.15 . 1 . . . . B 1086 LEU C . 30500 1 464 . 1 1 42 42 LEU CA C 13 52.891 0.15 . 1 . . . . B 1086 LEU CA . 30500 1 465 . 1 1 42 42 LEU CB C 13 39.792 0.15 . 1 . . . . B 1086 LEU CB . 30500 1 466 . 1 1 42 42 LEU CG C 13 26.124 0.15 . 1 . . . . B 1086 LEU CG . 30500 1 467 . 1 1 42 42 LEU CD1 C 13 26.504 0.15 . 2 . . . . B 1086 LEU CD1 . 30500 1 468 . 1 1 42 42 LEU CD2 C 13 20.091 0.15 . 2 . . . . B 1086 LEU CD2 . 30500 1 469 . 1 1 42 42 LEU N N 15 126.912 0.2 . 1 . . . . B 1086 LEU N . 30500 1 470 . 1 1 43 43 SER H H 1 7.997 0.01 . 1 . . . . B 1087 SER H . 30500 1 471 . 1 1 43 43 SER HA H 1 4.359 0.01 . 1 . . . . B 1087 SER HA . 30500 1 472 . 1 1 43 43 SER HB2 H 1 4.004 0.01 . 1 . . . . B 1087 SER HB2 . 30500 1 473 . 1 1 43 43 SER HB3 H 1 3.921 0.01 . 1 . . . . B 1087 SER HB3 . 30500 1 474 . 1 1 43 43 SER HG H 1 6.005 0.01 . 1 . . . . B 1087 SER HG . 30500 1 475 . 1 1 43 43 SER C C 13 175.129 0.15 . 1 . . . . B 1087 SER C . 30500 1 476 . 1 1 43 43 SER CA C 13 61.559 0.15 . 1 . . . . B 1087 SER CA . 30500 1 477 . 1 1 43 43 SER CB C 13 63.035 0.15 . 1 . . . . B 1087 SER CB . 30500 1 478 . 1 1 43 43 SER N N 15 116.1 0.2 . 1 . . . . B 1087 SER N . 30500 1 479 . 1 1 44 44 LYS H H 1 8.378 0.01 . 1 . . . . B 1088 LYS H . 30500 1 480 . 1 1 44 44 LYS HA H 1 4.786 0.01 . 1 . . . . B 1088 LYS HA . 30500 1 481 . 1 1 44 44 LYS HB2 H 1 2.12 0.01 . 2 . . . . B 1088 LYS HB2 . 30500 1 482 . 1 1 44 44 LYS HB3 H 1 1.664 0.01 . 2 . . . . B 1088 LYS HB3 . 30500 1 483 . 1 1 44 44 LYS HG2 H 1 1.483 0.01 . 2 . . . . B 1088 LYS HG2 . 30500 1 484 . 1 1 44 44 LYS HG3 H 1 1.408 0.01 . 2 . . . . B 1088 LYS HG3 . 30500 1 485 . 1 1 44 44 LYS HD2 H 1 1.626 0.01 . 2 . . . . B 1088 LYS HD2 . 30500 1 486 . 1 1 44 44 LYS HD3 H 1 1.626 0.01 . 2 . . . . B 1088 LYS HD3 . 30500 1 487 . 1 1 44 44 LYS HE2 H 1 2.913 0.01 . 2 . . . . B 1088 LYS HE2 . 30500 1 488 . 1 1 44 44 LYS HE3 H 1 2.913 0.01 . 2 . . . . B 1088 LYS HE3 . 30500 1 489 . 1 1 44 44 LYS C C 13 178.789 0.15 . 1 . . . . B 1088 LYS C . 30500 1 490 . 1 1 44 44 LYS CA C 13 54.338 0.15 . 1 . . . . B 1088 LYS CA . 30500 1 491 . 1 1 44 44 LYS CB C 13 32.315 0.15 . 1 . . . . B 1088 LYS CB . 30500 1 492 . 1 1 44 44 LYS CG C 13 24.862 0.15 . 1 . . . . B 1088 LYS CG . 30500 1 493 . 1 1 44 44 LYS CD C 13 28.625 0.15 . 1 . . . . B 1088 LYS CD . 30500 1 494 . 1 1 44 44 LYS CE C 13 41.984 0.15 . 1 . . . . B 1088 LYS CE . 30500 1 495 . 1 1 44 44 LYS N N 15 116.187 0.2 . 1 . . . . B 1088 LYS N . 30500 1 496 . 1 1 45 45 TRP H H 1 7.909 0.01 . 1 . . . . B 1089 TRP H . 30500 1 497 . 1 1 45 45 TRP HA H 1 4.525 0.01 . 1 . . . . B 1089 TRP HA . 30500 1 498 . 1 1 45 45 TRP HB2 H 1 3.209 0.01 . 2 . . . . B 1089 TRP HB2 . 30500 1 499 . 1 1 45 45 TRP HB3 H 1 3.143 0.01 . 2 . . . . B 1089 TRP HB3 . 30500 1 500 . 1 1 45 45 TRP HD1 H 1 7.199 0.01 . 1 . . . . B 1089 TRP HD1 . 30500 1 501 . 1 1 45 45 TRP HE1 H 1 10.239 0.01 . 1 . . . . B 1089 TRP HE1 . 30500 1 502 . 1 1 45 45 TRP HE3 H 1 7.038 0.01 . 1 . . . . B 1089 TRP HE3 . 30500 1 503 . 1 1 45 45 TRP HZ2 H 1 7.341 0.01 . 1 . . . . B 1089 TRP HZ2 . 30500 1 504 . 1 1 45 45 TRP HH2 H 1 7.016 0.01 . 1 . . . . B 1089 TRP HH2 . 30500 1 505 . 1 1 45 45 TRP C C 13 176.664 0.15 . 1 . . . . B 1089 TRP C . 30500 1 506 . 1 1 45 45 TRP CA C 13 58.448 0.15 . 1 . . . . B 1089 TRP CA . 30500 1 507 . 1 1 45 45 TRP CB C 13 28.674 0.15 . 1 . . . . B 1089 TRP CB . 30500 1 508 . 1 1 45 45 TRP CD1 C 13 123.543 0.15 . 1 . . . . B 1089 TRP CD1 . 30500 1 509 . 1 1 45 45 TRP CE3 C 13 121.575 0.15 . 1 . . . . B 1089 TRP CE3 . 30500 1 510 . 1 1 45 45 TRP CZ2 C 13 115.11 0.15 . 1 . . . . B 1089 TRP CZ2 . 30500 1 511 . 1 1 45 45 TRP CH2 C 13 124.526 0.15 . 1 . . . . B 1089 TRP CH2 . 30500 1 512 . 1 1 45 45 TRP N N 15 123.131 0.2 . 1 . . . . B 1089 TRP N . 30500 1 513 . 1 1 45 45 TRP NE1 N 15 128.862 0.2 . 1 . . . . B 1089 TRP NE1 . 30500 1 514 . 1 1 46 46 LYS H H 1 9.147 0.01 . 1 . . . . B 1090 LYS H . 30500 1 515 . 1 1 46 46 LYS HA H 1 5.144 0.01 . 1 . . . . B 1090 LYS HA . 30500 1 516 . 1 1 46 46 LYS HB2 H 1 2.284 0.01 . 2 . . . . B 1090 LYS HB2 . 30500 1 517 . 1 1 46 46 LYS HB3 H 1 1.785 0.01 . 2 . . . . B 1090 LYS HB3 . 30500 1 518 . 1 1 46 46 LYS HG2 H 1 1.603 0.01 . 2 . . . . B 1090 LYS HG2 . 30500 1 519 . 1 1 46 46 LYS HG3 H 1 1.603 0.01 . 2 . . . . B 1090 LYS HG3 . 30500 1 520 . 1 1 46 46 LYS HD2 H 1 1.701 0.01 . 2 . . . . B 1090 LYS HD2 . 30500 1 521 . 1 1 46 46 LYS HD3 H 1 1.701 0.01 . 2 . . . . B 1090 LYS HD3 . 30500 1 522 . 1 1 46 46 LYS HE2 H 1 3.035 0.01 . 2 . . . . B 1090 LYS HE2 . 30500 1 523 . 1 1 46 46 LYS HE3 H 1 2.986 0.01 . 2 . . . . B 1090 LYS HE3 . 30500 1 524 . 1 1 46 46 LYS C C 13 179.327 0.15 . 1 . . . . B 1090 LYS C . 30500 1 525 . 1 1 46 46 LYS CA C 13 53.556 0.15 . 1 . . . . B 1090 LYS CA . 30500 1 526 . 1 1 46 46 LYS CB C 13 31.937 0.15 . 1 . . . . B 1090 LYS CB . 30500 1 527 . 1 1 46 46 LYS CG C 13 24.609 0.15 . 1 . . . . B 1090 LYS CG . 30500 1 528 . 1 1 46 46 LYS CD C 13 27.715 0.15 . 1 . . . . B 1090 LYS CD . 30500 1 529 . 1 1 46 46 LYS CE C 13 42.459 0.15 . 1 . . . . B 1090 LYS CE . 30500 1 530 . 1 1 46 46 LYS N N 15 120.589 0.2 . 1 . . . . B 1090 LYS N . 30500 1 531 . 1 1 47 47 TYR H H 1 9.41 0.01 . 1 . . . . B 1091 TYR H . 30500 1 532 . 1 1 47 47 TYR HA H 1 4.234 0.01 . 1 . . . . B 1091 TYR HA . 30500 1 533 . 1 1 47 47 TYR HB2 H 1 3.461 0.01 . 2 . . . . B 1091 TYR HB2 . 30500 1 534 . 1 1 47 47 TYR HB3 H 1 3.015 0.01 . 2 . . . . B 1091 TYR HB3 . 30500 1 535 . 1 1 47 47 TYR HD1 H 1 6.941 0.01 . 3 . . . . B 1091 TYR HD1 . 30500 1 536 . 1 1 47 47 TYR HD2 H 1 6.941 0.01 . 3 . . . . B 1091 TYR HD2 . 30500 1 537 . 1 1 47 47 TYR HE1 H 1 6.494 0.01 . 3 . . . . B 1091 TYR HE1 . 30500 1 538 . 1 1 47 47 TYR HE2 H 1 6.494 0.01 . 3 . . . . B 1091 TYR HE2 . 30500 1 539 . 1 1 47 47 TYR C C 13 176.986 0.15 . 1 . . . . B 1091 TYR C . 30500 1 540 . 1 1 47 47 TYR CA C 13 63.252 0.15 . 1 . . . . B 1091 TYR CA . 30500 1 541 . 1 1 47 47 TYR CB C 13 38.08 0.15 . 1 . . . . B 1091 TYR CB . 30500 1 542 . 1 1 47 47 TYR CD1 C 13 132.677 0.15 . 3 . . . . B 1091 TYR CD1 . 30500 1 543 . 1 1 47 47 TYR CD2 C 13 132.677 0.15 . 3 . . . . B 1091 TYR CD2 . 30500 1 544 . 1 1 47 47 TYR CE1 C 13 117.921 0.15 . 3 . . . . B 1091 TYR CE1 . 30500 1 545 . 1 1 47 47 TYR CE2 C 13 117.921 0.15 . 3 . . . . B 1091 TYR CE2 . 30500 1 546 . 1 1 47 47 TYR N N 15 123.607 0.2 . 1 . . . . B 1091 TYR N . 30500 1 547 . 1 1 48 48 ALA H H 1 9.531 0.01 . 1 . . . . B 1092 ALA H . 30500 1 548 . 1 1 48 48 ALA HA H 1 3.538 0.01 . 1 . . . . B 1092 ALA HA . 30500 1 549 . 1 1 48 48 ALA HB1 H 1 1.364 0.01 . 1 . . . . B 1092 ALA HB1 . 30500 1 550 . 1 1 48 48 ALA HB2 H 1 1.364 0.01 . 1 . . . . B 1092 ALA HB2 . 30500 1 551 . 1 1 48 48 ALA HB3 H 1 1.364 0.01 . 1 . . . . B 1092 ALA HB3 . 30500 1 552 . 1 1 48 48 ALA C C 13 179.439 0.15 . 1 . . . . B 1092 ALA C . 30500 1 553 . 1 1 48 48 ALA CA C 13 55.447 0.15 . 1 . . . . B 1092 ALA CA . 30500 1 554 . 1 1 48 48 ALA CB C 13 18.297 0.15 . 1 . . . . B 1092 ALA CB . 30500 1 555 . 1 1 48 48 ALA N N 15 118.249 0.2 . 1 . . . . B 1092 ALA N . 30500 1 556 . 1 1 49 49 GLU H H 1 6.807 0.01 . 1 . . . . B 1093 GLU H . 30500 1 557 . 1 1 49 49 GLU HA H 1 4.093 0.01 . 1 . . . . B 1093 GLU HA . 30500 1 558 . 1 1 49 49 GLU HB2 H 1 2.225 0.01 . 2 . . . . B 1093 GLU HB2 . 30500 1 559 . 1 1 49 49 GLU HB3 H 1 1.707 0.01 . 2 . . . . B 1093 GLU HB3 . 30500 1 560 . 1 1 49 49 GLU HG2 H 1 2.049 0.01 . 2 . . . . B 1093 GLU HG2 . 30500 1 561 . 1 1 49 49 GLU HG3 H 1 1.964 0.01 . 2 . . . . B 1093 GLU HG3 . 30500 1 562 . 1 1 49 49 GLU C C 13 180.417 0.15 . 1 . . . . B 1093 GLU C . 30500 1 563 . 1 1 49 49 GLU CA C 13 58.523 0.15 . 1 . . . . B 1093 GLU CA . 30500 1 564 . 1 1 49 49 GLU CB C 13 29.934 0.15 . 1 . . . . B 1093 GLU CB . 30500 1 565 . 1 1 49 49 GLU CG C 13 36.785 0.15 . 1 . . . . B 1093 GLU CG . 30500 1 566 . 1 1 49 49 GLU N N 15 114.39 0.2 . 1 . . . . B 1093 GLU N . 30500 1 567 . 1 1 50 50 LEU H H 1 7.958 0.01 . 1 . . . . B 1094 LEU H . 30500 1 568 . 1 1 50 50 LEU HA H 1 4.06 0.01 . 1 . . . . B 1094 LEU HA . 30500 1 569 . 1 1 50 50 LEU HB2 H 1 2.227 0.01 . 2 . . . . B 1094 LEU HB2 . 30500 1 570 . 1 1 50 50 LEU HB3 H 1 1.25 0.01 . 2 . . . . B 1094 LEU HB3 . 30500 1 571 . 1 1 50 50 LEU HG H 1 1.996 0.01 . 1 . . . . B 1094 LEU HG . 30500 1 572 . 1 1 50 50 LEU HD11 H 1 0.798 0.01 . 2 . . . . B 1094 LEU HD11 . 30500 1 573 . 1 1 50 50 LEU HD12 H 1 0.798 0.01 . 2 . . . . B 1094 LEU HD12 . 30500 1 574 . 1 1 50 50 LEU HD13 H 1 0.798 0.01 . 2 . . . . B 1094 LEU HD13 . 30500 1 575 . 1 1 50 50 LEU HD21 H 1 1.035 0.01 . 2 . . . . B 1094 LEU HD21 . 30500 1 576 . 1 1 50 50 LEU HD22 H 1 1.035 0.01 . 2 . . . . B 1094 LEU HD22 . 30500 1 577 . 1 1 50 50 LEU HD23 H 1 1.035 0.01 . 2 . . . . B 1094 LEU HD23 . 30500 1 578 . 1 1 50 50 LEU C C 13 177.532 0.15 . 1 . . . . B 1094 LEU C . 30500 1 579 . 1 1 50 50 LEU CA C 13 58.653 0.15 . 1 . . . . B 1094 LEU CA . 30500 1 580 . 1 1 50 50 LEU CB C 13 43.145 0.15 . 1 . . . . B 1094 LEU CB . 30500 1 581 . 1 1 50 50 LEU CG C 13 27.365 0.15 . 1 . . . . B 1094 LEU CG . 30500 1 582 . 1 1 50 50 LEU CD1 C 13 25.565 0.15 . 2 . . . . B 1094 LEU CD1 . 30500 1 583 . 1 1 50 50 LEU CD2 C 13 25.713 0.15 . 2 . . . . B 1094 LEU CD2 . 30500 1 584 . 1 1 50 50 LEU N N 15 123.552 0.2 . 1 . . . . B 1094 LEU N . 30500 1 585 . 1 1 51 51 ARG H H 1 8.853 0.01 . 1 . . . . B 1095 ARG H . 30500 1 586 . 1 1 51 51 ARG HA H 1 3.477 0.01 . 1 . . . . B 1095 ARG HA . 30500 1 587 . 1 1 51 51 ARG HB2 H 1 1.555 0.01 . 2 . . . . B 1095 ARG HB2 . 30500 1 588 . 1 1 51 51 ARG HB3 H 1 1.113 0.01 . 2 . . . . B 1095 ARG HB3 . 30500 1 589 . 1 1 51 51 ARG HG2 H 1 1.701 0.01 . 2 . . . . B 1095 ARG HG2 . 30500 1 590 . 1 1 51 51 ARG HG3 H 1 1.382 0.01 . 2 . . . . B 1095 ARG HG3 . 30500 1 591 . 1 1 51 51 ARG HD2 H 1 3.268 0.01 . 2 . . . . B 1095 ARG HD2 . 30500 1 592 . 1 1 51 51 ARG HD3 H 1 3.123 0.01 . 2 . . . . B 1095 ARG HD3 . 30500 1 593 . 1 1 51 51 ARG HE H 1 7.25 0.01 . 1 . . . . B 1095 ARG HE . 30500 1 594 . 1 1 51 51 ARG C C 13 177.474 0.15 . 1 . . . . B 1095 ARG C . 30500 1 595 . 1 1 51 51 ARG CA C 13 58.933 0.15 . 1 . . . . B 1095 ARG CA . 30500 1 596 . 1 1 51 51 ARG CB C 13 29.637 0.15 . 1 . . . . B 1095 ARG CB . 30500 1 597 . 1 1 51 51 ARG CG C 13 26.212 0.15 . 1 . . . . B 1095 ARG CG . 30500 1 598 . 1 1 51 51 ARG CD C 13 43.304 0.15 . 1 . . . . B 1095 ARG CD . 30500 1 599 . 1 1 51 51 ARG N N 15 119.689 0.2 . 1 . . . . B 1095 ARG N . 30500 1 600 . 1 1 51 51 ARG NE N 15 84.46 0.2 . 1 . . . . B 1095 ARG NE . 30500 1 601 . 1 1 52 52 ASP H H 1 8.149 0.01 . 1 . . . . B 1096 ASP H . 30500 1 602 . 1 1 52 52 ASP HA H 1 4.376 0.01 . 1 . . . . B 1096 ASP HA . 30500 1 603 . 1 1 52 52 ASP HB2 H 1 2.662 0.01 . 2 . . . . B 1096 ASP HB2 . 30500 1 604 . 1 1 52 52 ASP HB3 H 1 2.662 0.01 . 2 . . . . B 1096 ASP HB3 . 30500 1 605 . 1 1 52 52 ASP C C 13 179.385 0.15 . 1 . . . . B 1096 ASP C . 30500 1 606 . 1 1 52 52 ASP CA C 13 57.32 0.15 . 1 . . . . B 1096 ASP CA . 30500 1 607 . 1 1 52 52 ASP CB C 13 39.875 0.15 . 1 . . . . B 1096 ASP CB . 30500 1 608 . 1 1 52 52 ASP N N 15 117.272 0.2 . 1 . . . . B 1096 ASP N . 30500 1 609 . 1 1 53 53 THR H H 1 7.824 0.01 . 1 . . . . B 1097 THR H . 30500 1 610 . 1 1 53 53 THR HA H 1 3.812 0.01 . 1 . . . . B 1097 THR HA . 30500 1 611 . 1 1 53 53 THR HB H 1 4.509 0.01 . 1 . . . . B 1097 THR HB . 30500 1 612 . 1 1 53 53 THR HG1 H 1 5.372 0.01 . 1 . . . . B 1097 THR HG1 . 30500 1 613 . 1 1 53 53 THR HG21 H 1 1.101 0.01 . 1 . . . . B 1097 THR HG21 . 30500 1 614 . 1 1 53 53 THR HG22 H 1 1.101 0.01 . 1 . . . . B 1097 THR HG22 . 30500 1 615 . 1 1 53 53 THR HG23 H 1 1.101 0.01 . 1 . . . . B 1097 THR HG23 . 30500 1 616 . 1 1 53 53 THR C C 13 175.948 0.15 . 1 . . . . B 1097 THR C . 30500 1 617 . 1 1 53 53 THR CA C 13 67.715 0.15 . 1 . . . . B 1097 THR CA . 30500 1 618 . 1 1 53 53 THR CB C 13 67.92 0.15 . 1 . . . . B 1097 THR CB . 30500 1 619 . 1 1 53 53 THR CG2 C 13 22.217 0.15 . 1 . . . . B 1097 THR CG2 . 30500 1 620 . 1 1 53 53 THR N N 15 118.255 0.2 . 1 . . . . B 1097 THR N . 30500 1 621 . 1 1 54 54 ILE H H 1 8.249 0.01 . 1 . . . . B 1098 ILE H . 30500 1 622 . 1 1 54 54 ILE HA H 1 3.671 0.01 . 1 . . . . B 1098 ILE HA . 30500 1 623 . 1 1 54 54 ILE HB H 1 1.536 0.01 . 1 . . . . B 1098 ILE HB . 30500 1 624 . 1 1 54 54 ILE HG12 H 1 1.365 0.01 . 2 . . . . B 1098 ILE HG12 . 30500 1 625 . 1 1 54 54 ILE HG13 H 1 0.888 0.01 . 2 . . . . B 1098 ILE HG13 . 30500 1 626 . 1 1 54 54 ILE HG21 H 1 0.52 0.01 . 1 . . . . B 1098 ILE HG21 . 30500 1 627 . 1 1 54 54 ILE HG22 H 1 0.52 0.01 . 1 . . . . B 1098 ILE HG22 . 30500 1 628 . 1 1 54 54 ILE HG23 H 1 0.52 0.01 . 1 . . . . B 1098 ILE HG23 . 30500 1 629 . 1 1 54 54 ILE HD11 H 1 0.238 0.01 . 1 . . . . B 1098 ILE HD11 . 30500 1 630 . 1 1 54 54 ILE HD12 H 1 0.238 0.01 . 1 . . . . B 1098 ILE HD12 . 30500 1 631 . 1 1 54 54 ILE HD13 H 1 0.238 0.01 . 1 . . . . B 1098 ILE HD13 . 30500 1 632 . 1 1 54 54 ILE C C 13 177.473 0.15 . 1 . . . . B 1098 ILE C . 30500 1 633 . 1 1 54 54 ILE CA C 13 64.17 0.15 . 1 . . . . B 1098 ILE CA . 30500 1 634 . 1 1 54 54 ILE CB C 13 37.062 0.15 . 1 . . . . B 1098 ILE CB . 30500 1 635 . 1 1 54 54 ILE CG1 C 13 29.129 0.15 . 1 . . . . B 1098 ILE CG1 . 30500 1 636 . 1 1 54 54 ILE CG2 C 13 17.741 0.15 . 1 . . . . B 1098 ILE CG2 . 30500 1 637 . 1 1 54 54 ILE CD1 C 13 14.042 0.15 . 1 . . . . B 1098 ILE CD1 . 30500 1 638 . 1 1 54 54 ILE N N 15 122.155 0.2 . 1 . . . . B 1098 ILE N . 30500 1 639 . 1 1 55 55 ASN H H 1 7.729 0.01 . 1 . . . . B 1099 ASN H . 30500 1 640 . 1 1 55 55 ASN HA H 1 4.731 0.01 . 1 . . . . B 1099 ASN HA . 30500 1 641 . 1 1 55 55 ASN HB2 H 1 2.892 0.01 . 2 . . . . B 1099 ASN HB2 . 30500 1 642 . 1 1 55 55 ASN HB3 H 1 2.892 0.01 . 2 . . . . B 1099 ASN HB3 . 30500 1 643 . 1 1 55 55 ASN HD21 H 1 6.909 0.01 . 2 . . . . B 1099 ASN HD21 . 30500 1 644 . 1 1 55 55 ASN HD22 H 1 7.697 0.01 . 2 . . . . B 1099 ASN HD22 . 30500 1 645 . 1 1 55 55 ASN C C 13 176.776 0.15 . 1 . . . . B 1099 ASN C . 30500 1 646 . 1 1 55 55 ASN CA C 13 54.374 0.15 . 1 . . . . B 1099 ASN CA . 30500 1 647 . 1 1 55 55 ASN CB C 13 39.569 0.15 . 1 . . . . B 1099 ASN CB . 30500 1 648 . 1 1 55 55 ASN N N 15 115.712 0.2 . 1 . . . . B 1099 ASN N . 30500 1 649 . 1 1 55 55 ASN ND2 N 15 111.042 0.2 . 1 . . . . B 1099 ASN ND2 . 30500 1 650 . 1 1 56 56 THR H H 1 7.589 0.01 . 1 . . . . B 1100 THR H . 30500 1 651 . 1 1 56 56 THR HA H 1 4.629 0.01 . 1 . . . . B 1100 THR HA . 30500 1 652 . 1 1 56 56 THR HB H 1 4.149 0.01 . 1 . . . . B 1100 THR HB . 30500 1 653 . 1 1 56 56 THR HG1 H 1 5.043 0.01 . 1 . . . . B 1100 THR HG1 . 30500 1 654 . 1 1 56 56 THR HG21 H 1 1.196 0.01 . 1 . . . . B 1100 THR HG21 . 30500 1 655 . 1 1 56 56 THR HG22 H 1 1.196 0.01 . 1 . . . . B 1100 THR HG22 . 30500 1 656 . 1 1 56 56 THR HG23 H 1 1.196 0.01 . 1 . . . . B 1100 THR HG23 . 30500 1 657 . 1 1 56 56 THR C C 13 174.907 0.15 . 1 . . . . B 1100 THR C . 30500 1 658 . 1 1 56 56 THR CA C 13 62.567 0.15 . 1 . . . . B 1100 THR CA . 30500 1 659 . 1 1 56 56 THR CB C 13 72.22 0.15 . 1 . . . . B 1100 THR CB . 30500 1 660 . 1 1 56 56 THR CG2 C 13 21.459 0.15 . 1 . . . . B 1100 THR CG2 . 30500 1 661 . 1 1 56 56 THR N N 15 108.371 0.2 . 1 . . . . B 1100 THR N . 30500 1 662 . 1 1 57 57 SER H H 1 8.742 0.01 . 1 . . . . B 1101 SER H . 30500 1 663 . 1 1 57 57 SER HA H 1 4.321 0.01 . 1 . . . . B 1101 SER HA . 30500 1 664 . 1 1 57 57 SER HB2 H 1 4.102 0.01 . 2 . . . . B 1101 SER HB2 . 30500 1 665 . 1 1 57 57 SER HB3 H 1 3.618 0.01 . 2 . . . . B 1101 SER HB3 . 30500 1 666 . 1 1 57 57 SER HG H 1 6.097 0.01 . 1 . . . . B 1101 SER HG . 30500 1 667 . 1 1 57 57 SER C C 13 175.289 0.15 . 1 . . . . B 1101 SER C . 30500 1 668 . 1 1 57 57 SER CA C 13 59.409 0.15 . 1 . . . . B 1101 SER CA . 30500 1 669 . 1 1 57 57 SER CB C 13 64.398 0.15 . 1 . . . . B 1101 SER CB . 30500 1 670 . 1 1 57 57 SER N N 15 117.995 0.2 . 1 . . . . B 1101 SER N . 30500 1 671 . 1 1 58 58 CYS H H 1 8.761 0.01 . 1 . . . . B 1102 CYS H . 30500 1 672 . 1 1 58 58 CYS HA H 1 4.809 0.01 . 1 . . . . B 1102 CYS HA . 30500 1 673 . 1 1 58 58 CYS HB2 H 1 3.034 0.01 . 2 . . . . B 1102 CYS HB2 . 30500 1 674 . 1 1 58 58 CYS HB3 H 1 2.958 0.01 . 2 . . . . B 1102 CYS HB3 . 30500 1 675 . 1 1 58 58 CYS C C 13 173.813 0.15 . 1 . . . . B 1102 CYS C . 30500 1 676 . 1 1 58 58 CYS CA C 13 57.351 0.15 . 1 . . . . B 1102 CYS CA . 30500 1 677 . 1 1 58 58 CYS CB C 13 28.327 0.15 . 1 . . . . B 1102 CYS CB . 30500 1 678 . 1 1 58 58 CYS N N 15 121.572 0.2 . 1 . . . . B 1102 CYS N . 30500 1 679 . 1 1 59 59 ASP H H 1 8.585 0.01 . 1 . . . . B 1103 ASP H . 30500 1 680 . 1 1 59 59 ASP HA H 1 4.63 0.01 . 1 . . . . B 1103 ASP HA . 30500 1 681 . 1 1 59 59 ASP HB2 H 1 2.994 0.01 . 2 . . . . B 1103 ASP HB2 . 30500 1 682 . 1 1 59 59 ASP HB3 H 1 2.471 0.01 . 2 . . . . B 1103 ASP HB3 . 30500 1 683 . 1 1 59 59 ASP C C 13 175.556 0.15 . 1 . . . . B 1103 ASP C . 30500 1 684 . 1 1 59 59 ASP CA C 13 53.258 0.15 . 1 . . . . B 1103 ASP CA . 30500 1 685 . 1 1 59 59 ASP CB C 13 41.01 0.15 . 1 . . . . B 1103 ASP CB . 30500 1 686 . 1 1 59 59 ASP N N 15 124.303 0.2 . 1 . . . . B 1103 ASP N . 30500 1 687 . 1 1 60 60 ILE H H 1 8.526 0.01 . 1 . . . . B 1104 ILE H . 30500 1 688 . 1 1 60 60 ILE HA H 1 3.734 0.01 . 1 . . . . B 1104 ILE HA . 30500 1 689 . 1 1 60 60 ILE HB H 1 1.963 0.01 . 1 . . . . B 1104 ILE HB . 30500 1 690 . 1 1 60 60 ILE HG12 H 1 1.596 0.01 . 2 . . . . B 1104 ILE HG12 . 30500 1 691 . 1 1 60 60 ILE HG13 H 1 1.376 0.01 . 2 . . . . B 1104 ILE HG13 . 30500 1 692 . 1 1 60 60 ILE HG21 H 1 0.996 0.01 . 1 . . . . B 1104 ILE HG21 . 30500 1 693 . 1 1 60 60 ILE HG22 H 1 0.996 0.01 . 1 . . . . B 1104 ILE HG22 . 30500 1 694 . 1 1 60 60 ILE HG23 H 1 0.996 0.01 . 1 . . . . B 1104 ILE HG23 . 30500 1 695 . 1 1 60 60 ILE HD11 H 1 0.9 0.01 . 1 . . . . B 1104 ILE HD11 . 30500 1 696 . 1 1 60 60 ILE HD12 H 1 0.9 0.01 . 1 . . . . B 1104 ILE HD12 . 30500 1 697 . 1 1 60 60 ILE HD13 H 1 0.9 0.01 . 1 . . . . B 1104 ILE HD13 . 30500 1 698 . 1 1 60 60 ILE C C 13 178.532 0.15 . 1 . . . . B 1104 ILE C . 30500 1 699 . 1 1 60 60 ILE CA C 13 64.543 0.15 . 1 . . . . B 1104 ILE CA . 30500 1 700 . 1 1 60 60 ILE CB C 13 37.877 0.15 . 1 . . . . B 1104 ILE CB . 30500 1 701 . 1 1 60 60 ILE CG1 C 13 27.749 0.15 . 1 . . . . B 1104 ILE CG1 . 30500 1 702 . 1 1 60 60 ILE CG2 C 13 17.628 0.15 . 1 . . . . B 1104 ILE CG2 . 30500 1 703 . 1 1 60 60 ILE CD1 C 13 12.957 0.15 . 1 . . . . B 1104 ILE CD1 . 30500 1 704 . 1 1 60 60 ILE N N 15 125.28 0.2 . 1 . . . . B 1104 ILE N . 30500 1 705 . 1 1 61 61 GLU H H 1 8.18 0.01 . 1 . . . . B 1105 GLU H . 30500 1 706 . 1 1 61 61 GLU HA H 1 4.164 0.01 . 1 . . . . B 1105 GLU HA . 30500 1 707 . 1 1 61 61 GLU HB2 H 1 2.324 0.01 . 2 . . . . B 1105 GLU HB2 . 30500 1 708 . 1 1 61 61 GLU HB3 H 1 2.197 0.01 . 2 . . . . B 1105 GLU HB3 . 30500 1 709 . 1 1 61 61 GLU HG2 H 1 2.438 0.01 . 2 . . . . B 1105 GLU HG2 . 30500 1 710 . 1 1 61 61 GLU HG3 H 1 2.322 0.01 . 2 . . . . B 1105 GLU HG3 . 30500 1 711 . 1 1 61 61 GLU C C 13 179.223 0.15 . 1 . . . . B 1105 GLU C . 30500 1 712 . 1 1 61 61 GLU CA C 13 59.343 0.15 . 1 . . . . B 1105 GLU CA . 30500 1 713 . 1 1 61 61 GLU CB C 13 29.732 0.15 . 1 . . . . B 1105 GLU CB . 30500 1 714 . 1 1 61 61 GLU CG C 13 37.268 0.15 . 1 . . . . B 1105 GLU CG . 30500 1 715 . 1 1 61 61 GLU N N 15 121.064 0.2 . 1 . . . . B 1105 GLU N . 30500 1 716 . 1 1 62 62 LEU H H 1 7.788 0.01 . 1 . . . . B 1106 LEU H . 30500 1 717 . 1 1 62 62 LEU HA H 1 3.584 0.01 . 1 . . . . B 1106 LEU HA . 30500 1 718 . 1 1 62 62 LEU HB2 H 1 1.769 0.01 . 2 . . . . B 1106 LEU HB2 . 30500 1 719 . 1 1 62 62 LEU HB3 H 1 1.043 0.01 . 2 . . . . B 1106 LEU HB3 . 30500 1 720 . 1 1 62 62 LEU HG H 1 1.04 0.01 . 1 . . . . B 1106 LEU HG . 30500 1 721 . 1 1 62 62 LEU HD11 H 1 0.171 0.01 . 2 . . . . B 1106 LEU HD11 . 30500 1 722 . 1 1 62 62 LEU HD12 H 1 0.171 0.01 . 2 . . . . B 1106 LEU HD12 . 30500 1 723 . 1 1 62 62 LEU HD13 H 1 0.171 0.01 . 2 . . . . B 1106 LEU HD13 . 30500 1 724 . 1 1 62 62 LEU HD21 H 1 0.835 0.01 . 2 . . . . B 1106 LEU HD21 . 30500 1 725 . 1 1 62 62 LEU HD22 H 1 0.835 0.01 . 2 . . . . B 1106 LEU HD22 . 30500 1 726 . 1 1 62 62 LEU HD23 H 1 0.835 0.01 . 2 . . . . B 1106 LEU HD23 . 30500 1 727 . 1 1 62 62 LEU C C 13 179.148 0.15 . 1 . . . . B 1106 LEU C . 30500 1 728 . 1 1 62 62 LEU CA C 13 56.951 0.15 . 1 . . . . B 1106 LEU CA . 30500 1 729 . 1 1 62 62 LEU CB C 13 40.736 0.15 . 1 . . . . B 1106 LEU CB . 30500 1 730 . 1 1 62 62 LEU CG C 13 26.995 0.15 . 1 . . . . B 1106 LEU CG . 30500 1 731 . 1 1 62 62 LEU CD1 C 13 21.426 0.15 . 2 . . . . B 1106 LEU CD1 . 30500 1 732 . 1 1 62 62 LEU CD2 C 13 26.152 0.15 . 2 . . . . B 1106 LEU CD2 . 30500 1 733 . 1 1 62 62 LEU N N 15 125.337 0.2 . 1 . . . . B 1106 LEU N . 30500 1 734 . 1 1 63 63 LEU H H 1 8.644 0.01 . 1 . . . . B 1107 LEU H . 30500 1 735 . 1 1 63 63 LEU HA H 1 3.707 0.01 . 1 . . . . B 1107 LEU HA . 30500 1 736 . 1 1 63 63 LEU HB2 H 1 1.839 0.01 . 2 . . . . B 1107 LEU HB2 . 30500 1 737 . 1 1 63 63 LEU HB3 H 1 1.295 0.01 . 2 . . . . B 1107 LEU HB3 . 30500 1 738 . 1 1 63 63 LEU HG H 1 1.617 0.01 . 1 . . . . B 1107 LEU HG . 30500 1 739 . 1 1 63 63 LEU HD11 H 1 0.801 0.01 . 2 . . . . B 1107 LEU HD11 . 30500 1 740 . 1 1 63 63 LEU HD12 H 1 0.801 0.01 . 2 . . . . B 1107 LEU HD12 . 30500 1 741 . 1 1 63 63 LEU HD13 H 1 0.801 0.01 . 2 . . . . B 1107 LEU HD13 . 30500 1 742 . 1 1 63 63 LEU HD21 H 1 0.897 0.01 . 2 . . . . B 1107 LEU HD21 . 30500 1 743 . 1 1 63 63 LEU HD22 H 1 0.897 0.01 . 2 . . . . B 1107 LEU HD22 . 30500 1 744 . 1 1 63 63 LEU HD23 H 1 0.897 0.01 . 2 . . . . B 1107 LEU HD23 . 30500 1 745 . 1 1 63 63 LEU C C 13 179.258 0.15 . 1 . . . . B 1107 LEU C . 30500 1 746 . 1 1 63 63 LEU CA C 13 58.699 0.15 . 1 . . . . B 1107 LEU CA . 30500 1 747 . 1 1 63 63 LEU CB C 13 42.003 0.15 . 1 . . . . B 1107 LEU CB . 30500 1 748 . 1 1 63 63 LEU CG C 13 26.843 0.15 . 1 . . . . B 1107 LEU CG . 30500 1 749 . 1 1 63 63 LEU CD1 C 13 24.878 0.15 . 2 . . . . B 1107 LEU CD1 . 30500 1 750 . 1 1 63 63 LEU CD2 C 13 24.33 0.15 . 2 . . . . B 1107 LEU CD2 . 30500 1 751 . 1 1 63 63 LEU N N 15 120.6 0.2 . 1 . . . . B 1107 LEU N . 30500 1 752 . 1 1 64 64 ALA H H 1 7.77 0.01 . 1 . . . . B 1108 ALA H . 30500 1 753 . 1 1 64 64 ALA HA H 1 4.022 0.01 . 1 . . . . B 1108 ALA HA . 30500 1 754 . 1 1 64 64 ALA HB1 H 1 1.502 0.01 . 1 . . . . B 1108 ALA HB1 . 30500 1 755 . 1 1 64 64 ALA HB2 H 1 1.502 0.01 . 1 . . . . B 1108 ALA HB2 . 30500 1 756 . 1 1 64 64 ALA HB3 H 1 1.502 0.01 . 1 . . . . B 1108 ALA HB3 . 30500 1 757 . 1 1 64 64 ALA C C 13 180.323 0.15 . 1 . . . . B 1108 ALA C . 30500 1 758 . 1 1 64 64 ALA CA C 13 55.143 0.15 . 1 . . . . B 1108 ALA CA . 30500 1 759 . 1 1 64 64 ALA CB C 13 17.695 0.15 . 1 . . . . B 1108 ALA CB . 30500 1 760 . 1 1 64 64 ALA N N 15 120.202 0.2 . 1 . . . . B 1108 ALA N . 30500 1 761 . 1 1 65 65 ALA H H 1 7.786 0.01 . 1 . . . . B 1109 ALA H . 30500 1 762 . 1 1 65 65 ALA HA H 1 4.138 0.01 . 1 . . . . B 1109 ALA HA . 30500 1 763 . 1 1 65 65 ALA HB1 H 1 1.365 0.01 . 1 . . . . B 1109 ALA HB1 . 30500 1 764 . 1 1 65 65 ALA HB2 H 1 1.365 0.01 . 1 . . . . B 1109 ALA HB2 . 30500 1 765 . 1 1 65 65 ALA HB3 H 1 1.365 0.01 . 1 . . . . B 1109 ALA HB3 . 30500 1 766 . 1 1 65 65 ALA C C 13 180.971 0.15 . 1 . . . . B 1109 ALA C . 30500 1 767 . 1 1 65 65 ALA CA C 13 54.91 0.15 . 1 . . . . B 1109 ALA CA . 30500 1 768 . 1 1 65 65 ALA CB C 13 18.061 0.15 . 1 . . . . B 1109 ALA CB . 30500 1 769 . 1 1 65 65 ALA N N 15 122.155 0.2 . 1 . . . . B 1109 ALA N . 30500 1 770 . 1 1 66 66 CYS H H 1 8.374 0.01 . 1 . . . . B 1110 CYS H . 30500 1 771 . 1 1 66 66 CYS HA H 1 3.499 0.01 . 1 . . . . B 1110 CYS HA . 30500 1 772 . 1 1 66 66 CYS HB2 H 1 3.037 0.01 . 2 . . . . B 1110 CYS HB2 . 30500 1 773 . 1 1 66 66 CYS HB3 H 1 1.767 0.01 . 2 . . . . B 1110 CYS HB3 . 30500 1 774 . 1 1 66 66 CYS HG H 1 2.252 0.01 . 1 . . . . B 1110 CYS HG . 30500 1 775 . 1 1 66 66 CYS C C 13 175.809 0.15 . 1 . . . . B 1110 CYS C . 30500 1 776 . 1 1 66 66 CYS CA C 13 63.667 0.15 . 1 . . . . B 1110 CYS CA . 30500 1 777 . 1 1 66 66 CYS CB C 13 26.746 0.15 . 1 . . . . B 1110 CYS CB . 30500 1 778 . 1 1 66 66 CYS N N 15 120.185 0.2 . 1 . . . . B 1110 CYS N . 30500 1 779 . 1 1 67 67 ARG H H 1 7.766 0.01 . 1 . . . . B 1111 ARG H . 30500 1 780 . 1 1 67 67 ARG HA H 1 3.702 0.01 . 1 . . . . B 1111 ARG HA . 30500 1 781 . 1 1 67 67 ARG HB2 H 1 1.902 0.01 . 2 . . . . B 1111 ARG HB2 . 30500 1 782 . 1 1 67 67 ARG HB3 H 1 1.275 0.01 . 2 . . . . B 1111 ARG HB3 . 30500 1 783 . 1 1 67 67 ARG HG2 H 1 1.862 0.01 . 2 . . . . B 1111 ARG HG2 . 30500 1 784 . 1 1 67 67 ARG HG3 H 1 1.835 0.01 . 2 . . . . B 1111 ARG HG3 . 30500 1 785 . 1 1 67 67 ARG HD2 H 1 3.291 0.01 . 2 . . . . B 1111 ARG HD2 . 30500 1 786 . 1 1 67 67 ARG HD3 H 1 3.291 0.01 . 2 . . . . B 1111 ARG HD3 . 30500 1 787 . 1 1 67 67 ARG HE H 1 7.644 0.01 . 1 . . . . B 1111 ARG HE . 30500 1 788 . 1 1 67 67 ARG HH21 H 1 6.732 0.01 . 2 . . . . B 1111 ARG HH21 . 30500 1 789 . 1 1 67 67 ARG HH22 H 1 7.228 0.01 . 2 . . . . B 1111 ARG HH22 . 30500 1 790 . 1 1 67 67 ARG C C 13 178.075 0.15 . 1 . . . . B 1111 ARG C . 30500 1 791 . 1 1 67 67 ARG CA C 13 60.869 0.15 . 1 . . . . B 1111 ARG CA . 30500 1 792 . 1 1 67 67 ARG CB C 13 29.939 0.15 . 1 . . . . B 1111 ARG CB . 30500 1 793 . 1 1 67 67 ARG CG C 13 29.944 0.15 . 1 . . . . B 1111 ARG CG . 30500 1 794 . 1 1 67 67 ARG CD C 13 43.132 0.15 . 1 . . . . B 1111 ARG CD . 30500 1 795 . 1 1 67 67 ARG N N 15 117.858 0.2 . 1 . . . . B 1111 ARG N . 30500 1 796 . 1 1 67 67 ARG NE N 15 84.07 0.2 . 1 . . . . B 1111 ARG NE . 30500 1 797 . 1 1 68 68 GLU H H 1 8.178 0.01 . 1 . . . . B 1112 GLU H . 30500 1 798 . 1 1 68 68 GLU HA H 1 4.106 0.01 . 1 . . . . B 1112 GLU HA . 30500 1 799 . 1 1 68 68 GLU HB2 H 1 2.116 0.01 . 2 . . . . B 1112 GLU HB2 . 30500 1 800 . 1 1 68 68 GLU HB3 H 1 2.116 0.01 . 2 . . . . B 1112 GLU HB3 . 30500 1 801 . 1 1 68 68 GLU HG2 H 1 2.414 0.01 . 2 . . . . B 1112 GLU HG2 . 30500 1 802 . 1 1 68 68 GLU HG3 H 1 2.325 0.01 . 2 . . . . B 1112 GLU HG3 . 30500 1 803 . 1 1 68 68 GLU C C 13 178.578 0.15 . 1 . . . . B 1112 GLU C . 30500 1 804 . 1 1 68 68 GLU CA C 13 59.456 0.15 . 1 . . . . B 1112 GLU CA . 30500 1 805 . 1 1 68 68 GLU CB C 13 29.177 0.15 . 1 . . . . B 1112 GLU CB . 30500 1 806 . 1 1 68 68 GLU CG C 13 36.266 0.15 . 1 . . . . B 1112 GLU CG . 30500 1 807 . 1 1 68 68 GLU N N 15 118.835 0.2 . 1 . . . . B 1112 GLU N . 30500 1 808 . 1 1 69 69 GLU H H 1 7.969 0.01 . 1 . . . . B 1113 GLU H . 30500 1 809 . 1 1 69 69 GLU HA H 1 4.503 0.01 . 1 . . . . B 1113 GLU HA . 30500 1 810 . 1 1 69 69 GLU HB2 H 1 1.923 0.01 . 2 . . . . B 1113 GLU HB2 . 30500 1 811 . 1 1 69 69 GLU HB3 H 1 1.828 0.01 . 2 . . . . B 1113 GLU HB3 . 30500 1 812 . 1 1 69 69 GLU HG2 H 1 2.259 0.01 . 2 . . . . B 1113 GLU HG2 . 30500 1 813 . 1 1 69 69 GLU HG3 H 1 1.995 0.01 . 2 . . . . B 1113 GLU HG3 . 30500 1 814 . 1 1 69 69 GLU C C 13 178.847 0.15 . 1 . . . . B 1113 GLU C . 30500 1 815 . 1 1 69 69 GLU CA C 13 58.101 0.15 . 1 . . . . B 1113 GLU CA . 30500 1 816 . 1 1 69 69 GLU CB C 13 28.121 0.15 . 1 . . . . B 1113 GLU CB . 30500 1 817 . 1 1 69 69 GLU CG C 13 34.162 0.15 . 1 . . . . B 1113 GLU CG . 30500 1 818 . 1 1 69 69 GLU N N 15 121.919 0.2 . 1 . . . . B 1113 GLU N . 30500 1 819 . 1 1 70 70 PHE H H 1 8.333 0.01 . 1 . . . . B 1114 PHE H . 30500 1 820 . 1 1 70 70 PHE HA H 1 4.813 0.01 . 1 . . . . B 1114 PHE HA . 30500 1 821 . 1 1 70 70 PHE HB2 H 1 3.681 0.01 . 2 . . . . B 1114 PHE HB2 . 30500 1 822 . 1 1 70 70 PHE HB3 H 1 3.08 0.01 . 2 . . . . B 1114 PHE HB3 . 30500 1 823 . 1 1 70 70 PHE HD1 H 1 7.175 0.01 . 3 . . . . B 1114 PHE HD1 . 30500 1 824 . 1 1 70 70 PHE HD2 H 1 7.175 0.01 . 3 . . . . B 1114 PHE HD2 . 30500 1 825 . 1 1 70 70 PHE HE1 H 1 7.175 0.01 . 3 . . . . B 1114 PHE HE1 . 30500 1 826 . 1 1 70 70 PHE HE2 H 1 7.175 0.01 . 3 . . . . B 1114 PHE HE2 . 30500 1 827 . 1 1 70 70 PHE HZ H 1 6.639 0.01 . 1 . . . . B 1114 PHE HZ . 30500 1 828 . 1 1 70 70 PHE C C 13 177.533 0.15 . 1 . . . . B 1114 PHE C . 30500 1 829 . 1 1 70 70 PHE CA C 13 57.371 0.15 . 1 . . . . B 1114 PHE CA . 30500 1 830 . 1 1 70 70 PHE CB C 13 37.397 0.15 . 1 . . . . B 1114 PHE CB . 30500 1 831 . 1 1 70 70 PHE CD1 C 13 129.023 0.15 . 3 . . . . B 1114 PHE CD1 . 30500 1 832 . 1 1 70 70 PHE CD2 C 13 129.023 0.15 . 3 . . . . B 1114 PHE CD2 . 30500 1 833 . 1 1 70 70 PHE CE1 C 13 131.694 0.15 . 3 . . . . B 1114 PHE CE1 . 30500 1 834 . 1 1 70 70 PHE CE2 C 13 131.694 0.15 . 3 . . . . B 1114 PHE CE2 . 30500 1 835 . 1 1 70 70 PHE CZ C 13 128.742 0.15 . 1 . . . . B 1114 PHE CZ . 30500 1 836 . 1 1 70 70 PHE N N 15 119.167 0.2 . 1 . . . . B 1114 PHE N . 30500 1 837 . 1 1 71 71 HIS H H 1 8.58 0.01 . 1 . . . . B 1115 HIS H . 30500 1 838 . 1 1 71 71 HIS HA H 1 4.145 0.01 . 1 . . . . B 1115 HIS HA . 30500 1 839 . 1 1 71 71 HIS HB2 H 1 3.365 0.01 . 2 . . . . B 1115 HIS HB2 . 30500 1 840 . 1 1 71 71 HIS HB3 H 1 3.294 0.01 . 2 . . . . B 1115 HIS HB3 . 30500 1 841 . 1 1 71 71 HIS HD2 H 1 7.113 0.01 . 1 . . . . B 1115 HIS HD2 . 30500 1 842 . 1 1 71 71 HIS C C 13 177.752 0.15 . 1 . . . . B 1115 HIS C . 30500 1 843 . 1 1 71 71 HIS CA C 13 60.591 0.15 . 1 . . . . B 1115 HIS CA . 30500 1 844 . 1 1 71 71 HIS CB C 13 30.222 0.15 . 1 . . . . B 1115 HIS CB . 30500 1 845 . 1 1 71 71 HIS CD2 C 13 120.31 0.15 . 1 . . . . B 1115 HIS CD2 . 30500 1 846 . 1 1 71 71 HIS N N 15 118.229 0.2 . 1 . . . . B 1115 HIS N . 30500 1 847 . 1 1 72 72 ARG H H 1 8.427 0.01 . 1 . . . . B 1116 ARG H . 30500 1 848 . 1 1 72 72 ARG HA H 1 3.959 0.01 . 1 . . . . B 1116 ARG HA . 30500 1 849 . 1 1 72 72 ARG HB2 H 1 2.136 0.01 . 2 . . . . B 1116 ARG HB2 . 30500 1 850 . 1 1 72 72 ARG HB3 H 1 2.022 0.01 . 2 . . . . B 1116 ARG HB3 . 30500 1 851 . 1 1 72 72 ARG HG2 H 1 1.744 0.01 . 2 . . . . B 1116 ARG HG2 . 30500 1 852 . 1 1 72 72 ARG HG3 H 1 1.541 0.01 . 2 . . . . B 1116 ARG HG3 . 30500 1 853 . 1 1 72 72 ARG HD2 H 1 3.403 0.01 . 2 . . . . B 1116 ARG HD2 . 30500 1 854 . 1 1 72 72 ARG HD3 H 1 3.054 0.01 . 2 . . . . B 1116 ARG HD3 . 30500 1 855 . 1 1 72 72 ARG HE H 1 8.134 0.01 . 1 . . . . B 1116 ARG HE . 30500 1 856 . 1 1 72 72 ARG CA C 13 60.06 0.15 . 1 . . . . B 1116 ARG CA . 30500 1 857 . 1 1 72 72 ARG CB C 13 30.697 0.15 . 1 . . . . B 1116 ARG CB . 30500 1 858 . 1 1 72 72 ARG CG C 13 27.405 0.15 . 1 . . . . B 1116 ARG CG . 30500 1 859 . 1 1 72 72 ARG CD C 13 42.734 0.15 . 1 . . . . B 1116 ARG CD . 30500 1 860 . 1 1 72 72 ARG N N 15 120.201 0.2 . 1 . . . . B 1116 ARG N . 30500 1 861 . 1 1 72 72 ARG NE N 15 82.312 0.2 . 1 . . . . B 1116 ARG NE . 30500 1 862 . 1 1 73 73 ARG H H 1 8.519 0.01 . 1 . . . . B 1117 ARG H . 30500 1 863 . 1 1 73 73 ARG HA H 1 4.017 0.01 . 1 . . . . B 1117 ARG HA . 30500 1 864 . 1 1 73 73 ARG HB2 H 1 1.988 0.01 . 2 . . . . B 1117 ARG HB2 . 30500 1 865 . 1 1 73 73 ARG HB3 H 1 1.925 0.01 . 2 . . . . B 1117 ARG HB3 . 30500 1 866 . 1 1 73 73 ARG HG2 H 1 1.796 0.01 . 2 . . . . B 1117 ARG HG2 . 30500 1 867 . 1 1 73 73 ARG HG3 H 1 1.732 0.01 . 2 . . . . B 1117 ARG HG3 . 30500 1 868 . 1 1 73 73 ARG HD2 H 1 3.765 0.01 . 2 . . . . B 1117 ARG HD2 . 30500 1 869 . 1 1 73 73 ARG HD3 H 1 2.812 0.01 . 2 . . . . B 1117 ARG HD3 . 30500 1 870 . 1 1 73 73 ARG HE H 1 9.647 0.01 . 1 . . . . B 1117 ARG HE . 30500 1 871 . 1 1 73 73 ARG C C 13 178.685 0.15 . 1 . . . . B 1117 ARG C . 30500 1 872 . 1 1 73 73 ARG CA C 13 60.302 0.15 . 1 . . . . B 1117 ARG CA . 30500 1 873 . 1 1 73 73 ARG CB C 13 30.789 0.15 . 1 . . . . B 1117 ARG CB . 30500 1 874 . 1 1 73 73 ARG CG C 13 29.805 0.15 . 1 . . . . B 1117 ARG CG . 30500 1 875 . 1 1 73 73 ARG CD C 13 43.578 0.15 . 1 . . . . B 1117 ARG CD . 30500 1 876 . 1 1 73 73 ARG N N 15 117.858 0.2 . 1 . . . . B 1117 ARG N . 30500 1 877 . 1 1 73 73 ARG NE N 15 86.023 0.2 . 1 . . . . B 1117 ARG NE . 30500 1 878 . 1 1 74 74 LEU H H 1 8.611 0.01 . 1 . . . . B 1118 LEU H . 30500 1 879 . 1 1 74 74 LEU HA H 1 3.959 0.01 . 1 . . . . B 1118 LEU HA . 30500 1 880 . 1 1 74 74 LEU HB2 H 1 1.956 0.01 . 2 . . . . B 1118 LEU HB2 . 30500 1 881 . 1 1 74 74 LEU HB3 H 1 1.342 0.01 . 2 . . . . B 1118 LEU HB3 . 30500 1 882 . 1 1 74 74 LEU HG H 1 1.814 0.01 . 1 . . . . B 1118 LEU HG . 30500 1 883 . 1 1 74 74 LEU HD11 H 1 0.777 0.01 . 2 . . . . B 1118 LEU HD11 . 30500 1 884 . 1 1 74 74 LEU HD12 H 1 0.777 0.01 . 2 . . . . B 1118 LEU HD12 . 30500 1 885 . 1 1 74 74 LEU HD13 H 1 0.777 0.01 . 2 . . . . B 1118 LEU HD13 . 30500 1 886 . 1 1 74 74 LEU HD21 H 1 0.874 0.01 . 2 . . . . B 1118 LEU HD21 . 30500 1 887 . 1 1 74 74 LEU HD22 H 1 0.874 0.01 . 2 . . . . B 1118 LEU HD22 . 30500 1 888 . 1 1 74 74 LEU HD23 H 1 0.874 0.01 . 2 . . . . B 1118 LEU HD23 . 30500 1 889 . 1 1 74 74 LEU CA C 13 58.073 0.15 . 1 . . . . B 1118 LEU CA . 30500 1 890 . 1 1 74 74 LEU CB C 13 41.84 0.15 . 1 . . . . B 1118 LEU CB . 30500 1 891 . 1 1 74 74 LEU CG C 13 26.569 0.15 . 1 . . . . B 1118 LEU CG . 30500 1 892 . 1 1 74 74 LEU CD1 C 13 25.589 0.15 . 2 . . . . B 1118 LEU CD1 . 30500 1 893 . 1 1 74 74 LEU CD2 C 13 20.814 0.15 . 2 . . . . B 1118 LEU CD2 . 30500 1 894 . 1 1 74 74 LEU N N 15 118.251 0.2 . 1 . . . . B 1118 LEU N . 30500 1 895 . 1 1 75 75 LYS H H 1 7.915 0.01 . 1 . . . . B 1119 LYS H . 30500 1 896 . 1 1 75 75 LYS HA H 1 4.109 0.01 . 1 . . . . B 1119 LYS HA . 30500 1 897 . 1 1 75 75 LYS HB2 H 1 2.017 0.01 . 2 . . . . B 1119 LYS HB2 . 30500 1 898 . 1 1 75 75 LYS HB3 H 1 1.932 0.01 . 2 . . . . B 1119 LYS HB3 . 30500 1 899 . 1 1 75 75 LYS HG2 H 1 1.552 0.01 . 2 . . . . B 1119 LYS HG2 . 30500 1 900 . 1 1 75 75 LYS HG3 H 1 1.393 0.01 . 2 . . . . B 1119 LYS HG3 . 30500 1 901 . 1 1 75 75 LYS HD2 H 1 1.651 0.01 . 2 . . . . B 1119 LYS HD2 . 30500 1 902 . 1 1 75 75 LYS HD3 H 1 1.651 0.01 . 2 . . . . B 1119 LYS HD3 . 30500 1 903 . 1 1 75 75 LYS HE2 H 1 2.912 0.01 . 2 . . . . B 1119 LYS HE2 . 30500 1 904 . 1 1 75 75 LYS HE3 H 1 2.912 0.01 . 2 . . . . B 1119 LYS HE3 . 30500 1 905 . 1 1 75 75 LYS C C 13 180.447 0.15 . 1 . . . . B 1119 LYS C . 30500 1 906 . 1 1 75 75 LYS CA C 13 60.041 0.15 . 1 . . . . B 1119 LYS CA . 30500 1 907 . 1 1 75 75 LYS CB C 13 32.053 0.15 . 1 . . . . B 1119 LYS CB . 30500 1 908 . 1 1 75 75 LYS CG C 13 25.164 0.15 . 1 . . . . B 1119 LYS CG . 30500 1 909 . 1 1 75 75 LYS CD C 13 29.421 0.15 . 1 . . . . B 1119 LYS CD . 30500 1 910 . 1 1 75 75 LYS CE C 13 41.886 0.15 . 1 . . . . B 1119 LYS CE . 30500 1 911 . 1 1 75 75 LYS N N 15 120.397 0.2 . 1 . . . . B 1119 LYS N . 30500 1 912 . 1 1 76 76 VAL H H 1 8.12 0.01 . 1 . . . . B 1120 VAL H . 30500 1 913 . 1 1 76 76 VAL HA H 1 3.757 0.01 . 1 . . . . B 1120 VAL HA . 30500 1 914 . 1 1 76 76 VAL HB H 1 2.213 0.01 . 1 . . . . B 1120 VAL HB . 30500 1 915 . 1 1 76 76 VAL HG11 H 1 1.044 0.01 . 2 . . . . B 1120 VAL HG11 . 30500 1 916 . 1 1 76 76 VAL HG12 H 1 1.044 0.01 . 2 . . . . B 1120 VAL HG12 . 30500 1 917 . 1 1 76 76 VAL HG13 H 1 1.044 0.01 . 2 . . . . B 1120 VAL HG13 . 30500 1 918 . 1 1 76 76 VAL HG21 H 1 1.129 0.01 . 2 . . . . B 1120 VAL HG21 . 30500 1 919 . 1 1 76 76 VAL HG22 H 1 1.129 0.01 . 2 . . . . B 1120 VAL HG22 . 30500 1 920 . 1 1 76 76 VAL HG23 H 1 1.129 0.01 . 2 . . . . B 1120 VAL HG23 . 30500 1 921 . 1 1 76 76 VAL C C 13 179.338 0.15 . 1 . . . . B 1120 VAL C . 30500 1 922 . 1 1 76 76 VAL CA C 13 66.471 0.15 . 1 . . . . B 1120 VAL CA . 30500 1 923 . 1 1 76 76 VAL CB C 13 31.097 0.15 . 1 . . . . B 1120 VAL CB . 30500 1 924 . 1 1 76 76 VAL CG1 C 13 22.383 0.15 . 2 . . . . B 1120 VAL CG1 . 30500 1 925 . 1 1 76 76 VAL CG2 C 13 22.57 0.15 . 2 . . . . B 1120 VAL CG2 . 30500 1 926 . 1 1 76 76 VAL N N 15 121.996 0.2 . 1 . . . . B 1120 VAL N . 30500 1 927 . 1 1 77 77 TYR H H 1 9.005 0.01 . 1 . . . . B 1121 TYR H . 30500 1 928 . 1 1 77 77 TYR HA H 1 4.43 0.01 . 1 . . . . B 1121 TYR HA . 30500 1 929 . 1 1 77 77 TYR HB2 H 1 3.059 0.01 . 2 . . . . B 1121 TYR HB2 . 30500 1 930 . 1 1 77 77 TYR HB3 H 1 3.059 0.01 . 2 . . . . B 1121 TYR HB3 . 30500 1 931 . 1 1 77 77 TYR HD1 H 1 6.701 0.01 . 3 . . . . B 1121 TYR HD1 . 30500 1 932 . 1 1 77 77 TYR HD2 H 1 6.701 0.01 . 3 . . . . B 1121 TYR HD2 . 30500 1 933 . 1 1 77 77 TYR HE1 H 1 6.66 0.01 . 3 . . . . B 1121 TYR HE1 . 30500 1 934 . 1 1 77 77 TYR HE2 H 1 6.66 0.01 . 3 . . . . B 1121 TYR HE2 . 30500 1 935 . 1 1 77 77 TYR C C 13 176.879 0.15 . 1 . . . . B 1121 TYR C . 30500 1 936 . 1 1 77 77 TYR CA C 13 60.921 0.15 . 1 . . . . B 1121 TYR CA . 30500 1 937 . 1 1 77 77 TYR CB C 13 39.25 0.15 . 1 . . . . B 1121 TYR CB . 30500 1 938 . 1 1 77 77 TYR CD1 C 13 132.396 0.15 . 3 . . . . B 1121 TYR CD1 . 30500 1 939 . 1 1 77 77 TYR N N 15 122.504 0.2 . 1 . . . . B 1121 TYR N . 30500 1 940 . 1 1 78 78 HIS H H 1 9.104 0.01 . 1 . . . . B 1122 HIS H . 30500 1 941 . 1 1 78 78 HIS HA H 1 4.091 0.01 . 1 . . . . B 1122 HIS HA . 30500 1 942 . 1 1 78 78 HIS HB2 H 1 3.252 0.01 . 2 . . . . B 1122 HIS HB2 . 30500 1 943 . 1 1 78 78 HIS HB3 H 1 3.173 0.01 . 2 . . . . B 1122 HIS HB3 . 30500 1 944 . 1 1 78 78 HIS HD2 H 1 6.99 0.01 . 1 . . . . B 1122 HIS HD2 . 30500 1 945 . 1 1 78 78 HIS C C 13 178.572 0.15 . 1 . . . . B 1122 HIS C . 30500 1 946 . 1 1 78 78 HIS CA C 13 59.865 0.15 . 1 . . . . B 1122 HIS CA . 30500 1 947 . 1 1 78 78 HIS CB C 13 29.366 0.15 . 1 . . . . B 1122 HIS CB . 30500 1 948 . 1 1 78 78 HIS CD2 C 13 119.467 0.15 . 1 . . . . B 1122 HIS CD2 . 30500 1 949 . 1 1 78 78 HIS N N 15 118.444 0.2 . 1 . . . . B 1122 HIS N . 30500 1 950 . 1 1 79 79 ALA H H 1 7.979 0.01 . 1 . . . . B 1123 ALA H . 30500 1 951 . 1 1 79 79 ALA HA H 1 4.204 0.01 . 1 . . . . B 1123 ALA HA . 30500 1 952 . 1 1 79 79 ALA HB1 H 1 1.586 0.01 . 1 . . . . B 1123 ALA HB1 . 30500 1 953 . 1 1 79 79 ALA HB2 H 1 1.586 0.01 . 1 . . . . B 1123 ALA HB2 . 30500 1 954 . 1 1 79 79 ALA HB3 H 1 1.586 0.01 . 1 . . . . B 1123 ALA HB3 . 30500 1 955 . 1 1 79 79 ALA C C 13 179.826 0.15 . 1 . . . . B 1123 ALA C . 30500 1 956 . 1 1 79 79 ALA CA C 13 55.142 0.15 . 1 . . . . B 1123 ALA CA . 30500 1 957 . 1 1 79 79 ALA CB C 13 17.72 0.15 . 1 . . . . B 1123 ALA CB . 30500 1 958 . 1 1 79 79 ALA N N 15 123.025 0.2 . 1 . . . . B 1123 ALA N . 30500 1 959 . 1 1 80 80 TRP H H 1 8.521 0.01 . 1 . . . . B 1124 TRP H . 30500 1 960 . 1 1 80 80 TRP HA H 1 4.07 0.01 . 1 . . . . B 1124 TRP HA . 30500 1 961 . 1 1 80 80 TRP HB2 H 1 3.671 0.01 . 2 . . . . B 1124 TRP HB2 . 30500 1 962 . 1 1 80 80 TRP HB3 H 1 3.268 0.01 . 2 . . . . B 1124 TRP HB3 . 30500 1 963 . 1 1 80 80 TRP HD1 H 1 7.28 0.01 . 1 . . . . B 1124 TRP HD1 . 30500 1 964 . 1 1 80 80 TRP HE1 H 1 10.447 0.01 . 1 . . . . B 1124 TRP HE1 . 30500 1 965 . 1 1 80 80 TRP HE3 H 1 7.342 0.01 . 1 . . . . B 1124 TRP HE3 . 30500 1 966 . 1 1 80 80 TRP HZ2 H 1 7.534 0.01 . 1 . . . . B 1124 TRP HZ2 . 30500 1 967 . 1 1 80 80 TRP HZ3 H 1 7.037 0.01 . 1 . . . . B 1124 TRP HZ3 . 30500 1 968 . 1 1 80 80 TRP HH2 H 1 7.249 0.01 . 1 . . . . B 1124 TRP HH2 . 30500 1 969 . 1 1 80 80 TRP C C 13 178.898 0.15 . 1 . . . . B 1124 TRP C . 30500 1 970 . 1 1 80 80 TRP CA C 13 61.829 0.15 . 1 . . . . B 1124 TRP CA . 30500 1 971 . 1 1 80 80 TRP CB C 13 28.636 0.15 . 1 . . . . B 1124 TRP CB . 30500 1 972 . 1 1 80 80 TRP CD1 C 13 126.775 0.15 . 1 . . . . B 1124 TRP CD1 . 30500 1 973 . 1 1 80 80 TRP CE3 C 13 120.17 0.15 . 1 . . . . B 1124 TRP CE3 . 30500 1 974 . 1 1 80 80 TRP CZ2 C 13 114.829 0.15 . 1 . . . . B 1124 TRP CZ2 . 30500 1 975 . 1 1 80 80 TRP CZ3 C 13 121.435 0.15 . 1 . . . . B 1124 TRP CZ3 . 30500 1 976 . 1 1 80 80 TRP CH2 C 13 124.245 0.15 . 1 . . . . B 1124 TRP CH2 . 30500 1 977 . 1 1 80 80 TRP N N 15 123.098 0.2 . 1 . . . . B 1124 TRP N . 30500 1 978 . 1 1 80 80 TRP NE1 N 15 130.538 0.2 . 1 . . . . B 1124 TRP NE1 . 30500 1 979 . 1 1 81 81 LYS H H 1 8.823 0.01 . 1 . . . . B 1125 LYS H . 30500 1 980 . 1 1 81 81 LYS HA H 1 3.303 0.01 . 1 . . . . B 1125 LYS HA . 30500 1 981 . 1 1 81 81 LYS HB2 H 1 1.649 0.01 . 2 . . . . B 1125 LYS HB2 . 30500 1 982 . 1 1 81 81 LYS HB3 H 1 1.619 0.01 . 2 . . . . B 1125 LYS HB3 . 30500 1 983 . 1 1 81 81 LYS HG2 H 1 1.268 0.01 . 2 . . . . B 1125 LYS HG2 . 30500 1 984 . 1 1 81 81 LYS HG3 H 1 1.245 0.01 . 2 . . . . B 1125 LYS HG3 . 30500 1 985 . 1 1 81 81 LYS HD2 H 1 1.466 0.01 . 2 . . . . B 1125 LYS HD2 . 30500 1 986 . 1 1 81 81 LYS HD3 H 1 1.466 0.01 . 2 . . . . B 1125 LYS HD3 . 30500 1 987 . 1 1 81 81 LYS HE2 H 1 2.815 0.01 . 2 . . . . B 1125 LYS HE2 . 30500 1 988 . 1 1 81 81 LYS HE3 H 1 2.723 0.01 . 2 . . . . B 1125 LYS HE3 . 30500 1 989 . 1 1 81 81 LYS C C 13 178.888 0.15 . 1 . . . . B 1125 LYS C . 30500 1 990 . 1 1 81 81 LYS CA C 13 59.2 0.15 . 1 . . . . B 1125 LYS CA . 30500 1 991 . 1 1 81 81 LYS CB C 13 32.05 0.15 . 1 . . . . B 1125 LYS CB . 30500 1 992 . 1 1 81 81 LYS CG C 13 24.896 0.15 . 1 . . . . B 1125 LYS CG . 30500 1 993 . 1 1 81 81 LYS CD C 13 29.24 0.15 . 1 . . . . B 1125 LYS CD . 30500 1 994 . 1 1 81 81 LYS CE C 13 41.611 0.15 . 1 . . . . B 1125 LYS CE . 30500 1 995 . 1 1 81 81 LYS N N 15 120.332 0.2 . 1 . . . . B 1125 LYS N . 30500 1 996 . 1 1 82 82 SER H H 1 7.628 0.01 . 1 . . . . B 1126 SER H . 30500 1 997 . 1 1 82 82 SER HA H 1 4.117 0.01 . 1 . . . . B 1126 SER HA . 30500 1 998 . 1 1 82 82 SER HB2 H 1 3.876 0.01 . 2 . . . . B 1126 SER HB2 . 30500 1 999 . 1 1 82 82 SER HB3 H 1 3.876 0.01 . 2 . . . . B 1126 SER HB3 . 30500 1 1000 . 1 1 82 82 SER C C 13 175.786 0.15 . 1 . . . . B 1126 SER C . 30500 1 1001 . 1 1 82 82 SER CA C 13 60.61 0.15 . 1 . . . . B 1126 SER CA . 30500 1 1002 . 1 1 82 82 SER CB C 13 63.055 0.15 . 1 . . . . B 1126 SER CB . 30500 1 1003 . 1 1 82 82 SER N N 15 112.785 0.2 . 1 . . . . B 1126 SER N . 30500 1 1004 . 1 1 83 83 LYS H H 1 7.471 0.01 . 1 . . . . B 1127 LYS H . 30500 1 1005 . 1 1 83 83 LYS HA H 1 4.072 0.01 . 1 . . . . B 1127 LYS HA . 30500 1 1006 . 1 1 83 83 LYS HB2 H 1 1.723 0.01 . 2 . . . . B 1127 LYS HB2 . 30500 1 1007 . 1 1 83 83 LYS HB3 H 1 1.723 0.01 . 2 . . . . B 1127 LYS HB3 . 30500 1 1008 . 1 1 83 83 LYS HG2 H 1 1.367 0.01 . 2 . . . . B 1127 LYS HG2 . 30500 1 1009 . 1 1 83 83 LYS HG3 H 1 1.317 0.01 . 2 . . . . B 1127 LYS HG3 . 30500 1 1010 . 1 1 83 83 LYS HD2 H 1 1.6 0.01 . 2 . . . . B 1127 LYS HD2 . 30500 1 1011 . 1 1 83 83 LYS HD3 H 1 1.6 0.01 . 2 . . . . B 1127 LYS HD3 . 30500 1 1012 . 1 1 83 83 LYS HE2 H 1 2.892 0.01 . 2 . . . . B 1127 LYS HE2 . 30500 1 1013 . 1 1 83 83 LYS HE3 H 1 2.892 0.01 . 2 . . . . B 1127 LYS HE3 . 30500 1 1014 . 1 1 83 83 LYS C C 13 176.823 0.15 . 1 . . . . B 1127 LYS C . 30500 1 1015 . 1 1 83 83 LYS CA C 13 57.536 0.15 . 1 . . . . B 1127 LYS CA . 30500 1 1016 . 1 1 83 83 LYS CB C 13 32.464 0.15 . 1 . . . . B 1127 LYS CB . 30500 1 1017 . 1 1 83 83 LYS CG C 13 24.607 0.15 . 1 . . . . B 1127 LYS CG . 30500 1 1018 . 1 1 83 83 LYS CD C 13 29.395 0.15 . 1 . . . . B 1127 LYS CD . 30500 1 1019 . 1 1 83 83 LYS CE C 13 41.901 0.15 . 1 . . . . B 1127 LYS CE . 30500 1 1020 . 1 1 83 83 LYS N N 15 120.711 0.2 . 1 . . . . B 1127 LYS N . 30500 1 1021 . 1 1 84 84 ASN H H 1 7.535 0.01 . 1 . . . . B 1128 ASN H . 30500 1 1022 . 1 1 84 84 ASN HA H 1 4.43 0.01 . 1 . . . . B 1128 ASN HA . 30500 1 1023 . 1 1 84 84 ASN HB2 H 1 2.366 0.01 . 2 . . . . B 1128 ASN HB2 . 30500 1 1024 . 1 1 84 84 ASN HB3 H 1 1.892 0.01 . 2 . . . . B 1128 ASN HB3 . 30500 1 1025 . 1 1 84 84 ASN HD21 H 1 6.619 0.01 . 2 . . . . B 1128 ASN HD21 . 30500 1 1026 . 1 1 84 84 ASN HD22 H 1 6.526 0.01 . 2 . . . . B 1128 ASN HD22 . 30500 1 1027 . 1 1 84 84 ASN C C 13 174.325 0.15 . 1 . . . . B 1128 ASN C . 30500 1 1028 . 1 1 84 84 ASN CA C 13 53.498 0.15 . 1 . . . . B 1128 ASN CA . 30500 1 1029 . 1 1 84 84 ASN CB C 13 38.799 0.15 . 1 . . . . B 1128 ASN CB . 30500 1 1030 . 1 1 84 84 ASN N N 15 117.077 0.2 . 1 . . . . B 1128 ASN N . 30500 1 1031 . 1 1 84 84 ASN ND2 N 15 113.972 0.2 . 1 . . . . B 1128 ASN ND2 . 30500 1 1032 . 1 1 85 85 LYS H H 1 7.77 0.01 . 1 . . . . B 1129 LYS H . 30500 1 1033 . 1 1 85 85 LYS HA H 1 4.122 0.01 . 1 . . . . B 1129 LYS HA . 30500 1 1034 . 1 1 85 85 LYS HB2 H 1 1.782 0.01 . 2 . . . . B 1129 LYS HB2 . 30500 1 1035 . 1 1 85 85 LYS HB3 H 1 1.723 0.01 . 2 . . . . B 1129 LYS HB3 . 30500 1 1036 . 1 1 85 85 LYS HG2 H 1 1.337 0.01 . 2 . . . . B 1129 LYS HG2 . 30500 1 1037 . 1 1 85 85 LYS HG3 H 1 1.337 0.01 . 2 . . . . B 1129 LYS HG3 . 30500 1 1038 . 1 1 85 85 LYS HD2 H 1 1.603 0.01 . 2 . . . . B 1129 LYS HD2 . 30500 1 1039 . 1 1 85 85 LYS HD3 H 1 1.603 0.01 . 2 . . . . B 1129 LYS HD3 . 30500 1 1040 . 1 1 85 85 LYS HE2 H 1 2.9 0.01 . 2 . . . . B 1129 LYS HE2 . 30500 1 1041 . 1 1 85 85 LYS HE3 H 1 2.9 0.01 . 2 . . . . B 1129 LYS HE3 . 30500 1 1042 . 1 1 85 85 LYS C C 13 176.18 0.15 . 1 . . . . B 1129 LYS C . 30500 1 1043 . 1 1 85 85 LYS CA C 13 56.549 0.15 . 1 . . . . B 1129 LYS CA . 30500 1 1044 . 1 1 85 85 LYS CB C 13 32.214 0.15 . 1 . . . . B 1129 LYS CB . 30500 1 1045 . 1 1 85 85 LYS CG C 13 24.734 0.15 . 1 . . . . B 1129 LYS CG . 30500 1 1046 . 1 1 85 85 LYS CD C 13 28.824 0.15 . 1 . . . . B 1129 LYS CD . 30500 1 1047 . 1 1 85 85 LYS CE C 13 42.041 0.15 . 1 . . . . B 1129 LYS CE . 30500 1 1048 . 1 1 85 85 LYS N N 15 120.604 0.2 . 1 . . . . B 1129 LYS N . 30500 1 1049 . 1 1 86 86 LYS H H 1 8.278 0.01 . 1 . . . . B 1130 LYS H . 30500 1 1050 . 1 1 86 86 LYS HA H 1 4.27 0.01 . 1 . . . . B 1130 LYS HA . 30500 1 1051 . 1 1 86 86 LYS HB2 H 1 1.819 0.01 . 2 . . . . B 1130 LYS HB2 . 30500 1 1052 . 1 1 86 86 LYS HB3 H 1 1.667 0.01 . 2 . . . . B 1130 LYS HB3 . 30500 1 1053 . 1 1 86 86 LYS HG2 H 1 1.401 0.01 . 2 . . . . B 1130 LYS HG2 . 30500 1 1054 . 1 1 86 86 LYS HG3 H 1 1.401 0.01 . 2 . . . . B 1130 LYS HG3 . 30500 1 1055 . 1 1 86 86 LYS HD2 H 1 1.639 0.01 . 2 . . . . B 1130 LYS HD2 . 30500 1 1056 . 1 1 86 86 LYS HD3 H 1 1.639 0.01 . 2 . . . . B 1130 LYS HD3 . 30500 1 1057 . 1 1 86 86 LYS HE2 H 1 2.96 0.01 . 2 . . . . B 1130 LYS HE2 . 30500 1 1058 . 1 1 86 86 LYS HE3 H 1 2.96 0.01 . 2 . . . . B 1130 LYS HE3 . 30500 1 1059 . 1 1 86 86 LYS C C 13 175.71 0.15 . 1 . . . . B 1130 LYS C . 30500 1 1060 . 1 1 86 86 LYS CA C 13 56.053 0.15 . 1 . . . . B 1130 LYS CA . 30500 1 1061 . 1 1 86 86 LYS CB C 13 32.761 0.15 . 1 . . . . B 1130 LYS CB . 30500 1 1062 . 1 1 86 86 LYS CG C 13 24.678 0.15 . 1 . . . . B 1130 LYS CG . 30500 1 1063 . 1 1 86 86 LYS CD C 13 28.807 0.15 . 1 . . . . B 1130 LYS CD . 30500 1 1064 . 1 1 86 86 LYS CE C 13 42.172 0.15 . 1 . . . . B 1130 LYS CE . 30500 1 1065 . 1 1 86 86 LYS N N 15 122.545 0.2 . 1 . . . . B 1130 LYS N . 30500 1 1066 . 1 1 87 87 ARG H H 1 8.054 0.01 . 1 . . . . B 1131 ARG H . 30500 1 1067 . 1 1 87 87 ARG HA H 1 4.098 0.01 . 1 . . . . B 1131 ARG HA . 30500 1 1068 . 1 1 87 87 ARG HB2 H 1 1.794 0.01 . 2 . . . . B 1131 ARG HB2 . 30500 1 1069 . 1 1 87 87 ARG HB3 H 1 1.675 0.01 . 2 . . . . B 1131 ARG HB3 . 30500 1 1070 . 1 1 87 87 ARG HG2 H 1 1.554 0.01 . 2 . . . . B 1131 ARG HG2 . 30500 1 1071 . 1 1 87 87 ARG HG3 H 1 1.554 0.01 . 2 . . . . B 1131 ARG HG3 . 30500 1 1072 . 1 1 87 87 ARG HD2 H 1 3.104 0.01 . 2 . . . . B 1131 ARG HD2 . 30500 1 1073 . 1 1 87 87 ARG HD3 H 1 3.104 0.01 . 2 . . . . B 1131 ARG HD3 . 30500 1 1074 . 1 1 87 87 ARG HE H 1 7.223 0.01 . 1 . . . . B 1131 ARG HE . 30500 1 1075 . 1 1 87 87 ARG CA C 13 57.381 0.15 . 1 . . . . B 1131 ARG CA . 30500 1 1076 . 1 1 87 87 ARG CB C 13 31.217 0.15 . 1 . . . . B 1131 ARG CB . 30500 1 1077 . 1 1 87 87 ARG CG C 13 27.277 0.15 . 1 . . . . B 1131 ARG CG . 30500 1 1078 . 1 1 87 87 ARG CD C 13 43.44 0.15 . 1 . . . . B 1131 ARG CD . 30500 1 1079 . 1 1 87 87 ARG N N 15 128.08 0.2 . 1 . . . . B 1131 ARG N . 30500 1 1080 . 1 1 87 87 ARG NE N 15 84.851 0.2 . 1 . . . . B 1131 ARG NE . 30500 1 1081 . 2 2 9 9 ILE H H 1 8.118 0.01 . 1 . . . . A 46 ILE H1 . 30500 1 1082 . 2 2 9 9 ILE HA H 1 4.065 0.01 . 1 . . . . A 46 ILE HA . 30500 1 1083 . 2 2 9 9 ILE HB H 1 1.838 0.01 . 1 . . . . A 46 ILE HB . 30500 1 1084 . 2 2 9 9 ILE HG12 H 1 1.467 0.01 . 2 . . . . A 46 ILE HG12 . 30500 1 1085 . 2 2 9 9 ILE HG13 H 1 1.158 0.01 . 2 . . . . A 46 ILE HG13 . 30500 1 1086 . 2 2 9 9 ILE HG21 H 1 0.899 0.01 . 1 . . . . A 46 ILE HG21 . 30500 1 1087 . 2 2 9 9 ILE HG22 H 1 0.899 0.01 . 1 . . . . A 46 ILE HG22 . 30500 1 1088 . 2 2 9 9 ILE HG23 H 1 0.899 0.01 . 1 . . . . A 46 ILE HG23 . 30500 1 1089 . 2 2 9 9 ILE HD11 H 1 0.844 0.01 . 1 . . . . A 46 ILE HD11 . 30500 1 1090 . 2 2 9 9 ILE HD12 H 1 0.844 0.01 . 1 . . . . A 46 ILE HD12 . 30500 1 1091 . 2 2 9 9 ILE HD13 H 1 0.844 0.01 . 1 . . . . A 46 ILE HD13 . 30500 1 1092 . 2 2 9 9 ILE C C 13 176.425 0.15 . 1 . . . . A 46 ILE C . 30500 1 1093 . 2 2 9 9 ILE CA C 13 61.46 0.15 . 1 . . . . A 46 ILE CA . 30500 1 1094 . 2 2 9 9 ILE CB C 13 38.612 0.15 . 1 . . . . A 46 ILE CB . 30500 1 1095 . 2 2 9 9 ILE CG1 C 13 27.396 0.15 . 1 . . . . A 46 ILE CG1 . 30500 1 1096 . 2 2 9 9 ILE CG2 C 13 17.411 0.15 . 1 . . . . A 46 ILE CG2 . 30500 1 1097 . 2 2 9 9 ILE CD1 C 13 12.783 0.15 . 1 . . . . A 46 ILE CD1 . 30500 1 1098 . 2 2 9 9 ILE N N 15 123.481 0.2 . 1 . . . . A 46 ILE N . 30500 1 1099 . 2 2 10 10 GLU H H 1 8.517 0.01 . 1 . . . . A 47 GLU H . 30500 1 1100 . 2 2 10 10 GLU HA H 1 4.231 0.01 . 1 . . . . A 47 GLU HA . 30500 1 1101 . 2 2 10 10 GLU HB2 H 1 2.121 0.01 . 2 . . . . A 47 GLU HB2 . 30500 1 1102 . 2 2 10 10 GLU HB3 H 1 2.054 0.01 . 2 . . . . A 47 GLU HB3 . 30500 1 1103 . 2 2 10 10 GLU HG2 H 1 2.349 0.01 . 2 . . . . A 47 GLU HG2 . 30500 1 1104 . 2 2 10 10 GLU HG3 H 1 2.349 0.01 . 2 . . . . A 47 GLU HG3 . 30500 1 1105 . 2 2 10 10 GLU C C 13 176.906 0.15 . 1 . . . . A 47 GLU C . 30500 1 1106 . 2 2 10 10 GLU CA C 13 57.793 0.15 . 1 . . . . A 47 GLU CA . 30500 1 1107 . 2 2 10 10 GLU CB C 13 29.81 0.15 . 1 . . . . A 47 GLU CB . 30500 1 1108 . 2 2 10 10 GLU CG C 13 36.402 0.15 . 1 . . . . A 47 GLU CG . 30500 1 1109 . 2 2 10 10 GLU N N 15 124.244 0.2 . 1 . . . . A 47 GLU N . 30500 1 1110 . 2 2 11 11 ASN H H 1 8.489 0.01 . 1 . . . . A 48 ASN H . 30500 1 1111 . 2 2 11 11 ASN HA H 1 4.625 0.01 . 1 . . . . A 48 ASN HA . 30500 1 1112 . 2 2 11 11 ASN HB2 H 1 2.803 0.01 . 2 . . . . A 48 ASN HB2 . 30500 1 1113 . 2 2 11 11 ASN HB3 H 1 2.878 0.01 . 2 . . . . A 48 ASN HB3 . 30500 1 1114 . 2 2 11 11 ASN HD21 H 1 7.11 0.01 . 2 . . . . A 48 ASN HD21 . 30500 1 1115 . 2 2 11 11 ASN HD22 H 1 7.829 0.01 . 2 . . . . A 48 ASN HD22 . 30500 1 1116 . 2 2 11 11 ASN C C 13 175.634 0.15 . 1 . . . . A 48 ASN C . 30500 1 1117 . 2 2 11 11 ASN CA C 13 54.346 0.15 . 1 . . . . A 48 ASN CA . 30500 1 1118 . 2 2 11 11 ASN CB C 13 38.859 0.15 . 1 . . . . A 48 ASN CB . 30500 1 1119 . 2 2 11 11 ASN N N 15 119.262 0.2 . 1 . . . . A 48 ASN N . 30500 1 1120 . 2 2 11 11 ASN ND2 N 15 112.854 0.2 . 1 . . . . A 48 ASN ND2 . 30500 1 1121 . 2 2 12 12 ASP H H 1 8.363 0.01 . 1 . . . . A 49 ASP H . 30500 1 1122 . 2 2 12 12 ASP HA H 1 4.598 0.01 . 1 . . . . A 49 ASP HA . 30500 1 1123 . 2 2 12 12 ASP HB2 H 1 2.724 0.01 . 2 . . . . A 49 ASP HB2 . 30500 1 1124 . 2 2 12 12 ASP HB3 H 1 2.76 0.01 . 2 . . . . A 49 ASP HB3 . 30500 1 1125 . 2 2 12 12 ASP C C 13 178.478 0.15 . 1 . . . . A 49 ASP C . 30500 1 1126 . 2 2 12 12 ASP CA C 13 56.202 0.15 . 1 . . . . A 49 ASP CA . 30500 1 1127 . 2 2 12 12 ASP CB C 13 40.547 0.15 . 1 . . . . A 49 ASP CB . 30500 1 1128 . 2 2 12 12 ASP N N 15 121.105 0.2 . 1 . . . . A 49 ASP N . 30500 1 1129 . 2 2 13 13 GLU H H 1 8.539 0.01 . 1 . . . . A 50 GLU H . 30500 1 1130 . 2 2 13 13 GLU HA H 1 3.9 0.01 . 1 . . . . A 50 GLU HA . 30500 1 1131 . 2 2 13 13 GLU HB2 H 1 2.162 0.01 . 2 . . . . A 50 GLU HB2 . 30500 1 1132 . 2 2 13 13 GLU HB3 H 1 1.853 0.01 . 2 . . . . A 50 GLU HB3 . 30500 1 1133 . 2 2 13 13 GLU HG2 H 1 2.474 0.01 . 2 . . . . A 50 GLU HG2 . 30500 1 1134 . 2 2 13 13 GLU HG3 H 1 2.232 0.01 . 2 . . . . A 50 GLU HG3 . 30500 1 1135 . 2 2 13 13 GLU C C 13 178.214 0.15 . 1 . . . . A 50 GLU C . 30500 1 1136 . 2 2 13 13 GLU CA C 13 59.249 0.15 . 1 . . . . A 50 GLU CA . 30500 1 1137 . 2 2 13 13 GLU CB C 13 29.753 0.15 . 1 . . . . A 50 GLU CB . 30500 1 1138 . 2 2 13 13 GLU CG C 13 36.691 0.15 . 1 . . . . A 50 GLU CG . 30500 1 1139 . 2 2 13 13 GLU N N 15 122.48 0.2 . 1 . . . . A 50 GLU N . 30500 1 1140 . 2 2 14 14 ALA H H 1 7.635 0.01 . 1 . . . . A 51 ALA H . 30500 1 1141 . 2 2 14 14 ALA HA H 1 3.209 0.01 . 1 . . . . A 51 ALA HA . 30500 1 1142 . 2 2 14 14 ALA HB1 H 1 1.062 0.01 . 1 . . . . A 51 ALA HB1 . 30500 1 1143 . 2 2 14 14 ALA HB2 H 1 1.062 0.01 . 1 . . . . A 51 ALA HB2 . 30500 1 1144 . 2 2 14 14 ALA HB3 H 1 1.062 0.01 . 1 . . . . A 51 ALA HB3 . 30500 1 1145 . 2 2 14 14 ALA C C 13 179.382 0.15 . 1 . . . . A 51 ALA C . 30500 1 1146 . 2 2 14 14 ALA CA C 13 54.734 0.15 . 1 . . . . A 51 ALA CA . 30500 1 1147 . 2 2 14 14 ALA CB C 13 18.331 0.15 . 1 . . . . A 51 ALA CB . 30500 1 1148 . 2 2 14 14 ALA N N 15 120.208 0.2 . 1 . . . . A 51 ALA N . 30500 1 1149 . 2 2 15 15 PHE H H 1 8.115 0.01 . 1 . . . . A 52 PHE H . 30500 1 1150 . 2 2 15 15 PHE HA H 1 3.857 0.01 . 1 . . . . A 52 PHE HA . 30500 1 1151 . 2 2 15 15 PHE HB2 H 1 3.177 0.01 . 2 . . . . A 52 PHE HB2 . 30500 1 1152 . 2 2 15 15 PHE HB3 H 1 3.032 0.01 . 2 . . . . A 52 PHE HB3 . 30500 1 1153 . 2 2 15 15 PHE HD1 H 1 7.132 0.01 . 3 . . . . A 52 PHE HD1 . 30500 1 1154 . 2 2 15 15 PHE HD2 H 1 7.132 0.01 . 3 . . . . A 52 PHE HD2 . 30500 1 1155 . 2 2 15 15 PHE HE1 H 1 7.34 0.01 . 3 . . . . A 52 PHE HE1 . 30500 1 1156 . 2 2 15 15 PHE HE2 H 1 7.34 0.01 . 3 . . . . A 52 PHE HE2 . 30500 1 1157 . 2 2 15 15 PHE C C 13 177.194 0.15 . 1 . . . . A 52 PHE C . 30500 1 1158 . 2 2 15 15 PHE CA C 13 61.84 0.15 . 1 . . . . A 52 PHE CA . 30500 1 1159 . 2 2 15 15 PHE CB C 13 38.859 0.15 . 1 . . . . A 52 PHE CB . 30500 1 1160 . 2 2 15 15 PHE CD1 C 13 131.651 0.15 . 3 . . . . A 52 PHE CD1 . 30500 1 1161 . 2 2 15 15 PHE N N 15 115.997 0.2 . 1 . . . . A 52 PHE N . 30500 1 1162 . 2 2 16 16 ALA H H 1 8 0.01 . 1 . . . . A 53 ALA H . 30500 1 1163 . 2 2 16 16 ALA HA H 1 4.044 0.01 . 1 . . . . A 53 ALA HA . 30500 1 1164 . 2 2 16 16 ALA HB1 H 1 1.447 0.01 . 1 . . . . A 53 ALA HB1 . 30500 1 1165 . 2 2 16 16 ALA HB2 H 1 1.447 0.01 . 1 . . . . A 53 ALA HB2 . 30500 1 1166 . 2 2 16 16 ALA HB3 H 1 1.447 0.01 . 1 . . . . A 53 ALA HB3 . 30500 1 1167 . 2 2 16 16 ALA C C 13 180.265 0.15 . 1 . . . . A 53 ALA C . 30500 1 1168 . 2 2 16 16 ALA CA C 13 55.12 0.15 . 1 . . . . A 53 ALA CA . 30500 1 1169 . 2 2 16 16 ALA CB C 13 17.402 0.15 . 1 . . . . A 53 ALA CB . 30500 1 1170 . 2 2 16 16 ALA N N 15 121.706 0.2 . 1 . . . . A 53 ALA N . 30500 1 1171 . 2 2 17 17 ILE H H 1 7.362 0.01 . 1 . . . . A 54 ILE H . 30500 1 1172 . 2 2 17 17 ILE HA H 1 3.681 0.01 . 1 . . . . A 54 ILE HA . 30500 1 1173 . 2 2 17 17 ILE HB H 1 1.667 0.01 . 1 . . . . A 54 ILE HB . 30500 1 1174 . 2 2 17 17 ILE HG12 H 1 0.766 0.01 . 2 . . . . A 54 ILE HG12 . 30500 1 1175 . 2 2 17 17 ILE HG13 H 1 1.531 0.01 . 2 . . . . A 54 ILE HG13 . 30500 1 1176 . 2 2 17 17 ILE HG21 H 1 0.833 0.01 . 1 . . . . A 54 ILE HG21 . 30500 1 1177 . 2 2 17 17 ILE HG22 H 1 0.833 0.01 . 1 . . . . A 54 ILE HG22 . 30500 1 1178 . 2 2 17 17 ILE HG23 H 1 0.833 0.01 . 1 . . . . A 54 ILE HG23 . 30500 1 1179 . 2 2 17 17 ILE HD11 H 1 0.385 0.01 . 1 . . . . A 54 ILE HD11 . 30500 1 1180 . 2 2 17 17 ILE HD12 H 1 0.385 0.01 . 1 . . . . A 54 ILE HD12 . 30500 1 1181 . 2 2 17 17 ILE HD13 H 1 0.385 0.01 . 1 . . . . A 54 ILE HD13 . 30500 1 1182 . 2 2 17 17 ILE C C 13 178.091 0.15 . 1 . . . . A 54 ILE C . 30500 1 1183 . 2 2 17 17 ILE CA C 13 64.575 0.15 . 1 . . . . A 54 ILE CA . 30500 1 1184 . 2 2 17 17 ILE CB C 13 39.582 0.15 . 1 . . . . A 54 ILE CB . 30500 1 1185 . 2 2 17 17 ILE CG1 C 13 27.874 0.15 . 1 . . . . A 54 ILE CG1 . 30500 1 1186 . 2 2 17 17 ILE CG2 C 13 17.613 0.15 . 1 . . . . A 54 ILE CG2 . 30500 1 1187 . 2 2 17 17 ILE CD1 C 13 14.115 0.15 . 1 . . . . A 54 ILE CD1 . 30500 1 1188 . 2 2 17 17 ILE N N 15 117.373 0.2 . 1 . . . . A 54 ILE N . 30500 1 1189 . 2 2 18 18 LEU H H 1 7.465 0.01 . 1 . . . . A 55 LEU H . 30500 1 1190 . 2 2 18 18 LEU HA H 1 3.85 0.01 . 1 . . . . A 55 LEU HA . 30500 1 1191 . 2 2 18 18 LEU HB2 H 1 1.434 0.01 . 2 . . . . A 55 LEU HB2 . 30500 1 1192 . 2 2 18 18 LEU HB3 H 1 1.127 0.01 . 2 . . . . A 55 LEU HB3 . 30500 1 1193 . 2 2 18 18 LEU HG H 1 1.182 0.01 . 1 . . . . A 55 LEU HG . 30500 1 1194 . 2 2 18 18 LEU HD11 H 1 0.349 0.01 . 2 . . . . A 55 LEU HD11 . 30500 1 1195 . 2 2 18 18 LEU HD12 H 1 0.349 0.01 . 2 . . . . A 55 LEU HD12 . 30500 1 1196 . 2 2 18 18 LEU HD13 H 1 0.349 0.01 . 2 . . . . A 55 LEU HD13 . 30500 1 1197 . 2 2 18 18 LEU HD21 H 1 -0.033 0.01 . 2 . . . . A 55 LEU HD21 . 30500 1 1198 . 2 2 18 18 LEU HD22 H 1 -0.033 0.01 . 2 . . . . A 55 LEU HD22 . 30500 1 1199 . 2 2 18 18 LEU HD23 H 1 -0.033 0.01 . 2 . . . . A 55 LEU HD23 . 30500 1 1200 . 2 2 18 18 LEU C C 13 176.822 0.15 . 1 . . . . A 55 LEU C . 30500 1 1201 . 2 2 18 18 LEU CA C 13 57.438 0.15 . 1 . . . . A 55 LEU CA . 30500 1 1202 . 2 2 18 18 LEU CB C 13 43.629 0.15 . 1 . . . . A 55 LEU CB . 30500 1 1203 . 2 2 18 18 LEU CG C 13 26.718 0.15 . 1 . . . . A 55 LEU CG . 30500 1 1204 . 2 2 18 18 LEU CD1 C 13 22.382 0.15 . 2 . . . . A 55 LEU CD1 . 30500 1 1205 . 2 2 18 18 LEU CD2 C 13 27.007 0.15 . 2 . . . . A 55 LEU CD2 . 30500 1 1206 . 2 2 18 18 LEU N N 15 117.471 0.2 . 1 . . . . A 55 LEU N . 30500 1 1207 . 2 2 19 19 ASP H H 1 8.918 0.01 . 1 . . . . A 56 ASP H . 30500 1 1208 . 2 2 19 19 ASP HA H 1 4.694 0.01 . 1 . . . . A 56 ASP HA . 30500 1 1209 . 2 2 19 19 ASP HB2 H 1 1.62 0.01 . 2 . . . . A 56 ASP HB2 . 30500 1 1210 . 2 2 19 19 ASP HB3 H 1 2.277 0.01 . 2 . . . . A 56 ASP HB3 . 30500 1 1211 . 2 2 19 19 ASP C C 13 177.433 0.15 . 1 . . . . A 56 ASP C . 30500 1 1212 . 2 2 19 19 ASP CA C 13 55.625 0.15 . 1 . . . . A 56 ASP CA . 30500 1 1213 . 2 2 19 19 ASP CB C 13 43.918 0.15 . 1 . . . . A 56 ASP CB . 30500 1 1214 . 2 2 19 19 ASP N N 15 117.495 0.2 . 1 . . . . A 56 ASP N . 30500 1 1215 . 2 2 20 20 GLY H H 1 7.441 0.01 . 1 . . . . A 57 GLY H . 30500 1 1216 . 2 2 20 20 GLY HA2 H 1 3.876 0.01 . 2 . . . . A 57 GLY HA2 . 30500 1 1217 . 2 2 20 20 GLY HA3 H 1 4.201 0.01 . 2 . . . . A 57 GLY HA3 . 30500 1 1218 . 2 2 20 20 GLY C C 13 175.336 0.15 . 1 . . . . A 57 GLY C . 30500 1 1219 . 2 2 20 20 GLY CA C 13 45.508 0.15 . 1 . . . . A 57 GLY CA . 30500 1 1220 . 2 2 20 20 GLY N N 15 102.155 0.2 . 1 . . . . A 57 GLY N . 30500 1 1221 . 2 2 21 21 GLY H H 1 7.326 0.01 . 1 . . . . A 58 GLY H . 30500 1 1222 . 2 2 21 21 GLY HA2 H 1 3.802 0.01 . 2 . . . . A 58 GLY HA2 . 30500 1 1223 . 2 2 21 21 GLY HA3 H 1 4.469 0.01 . 2 . . . . A 58 GLY HA3 . 30500 1 1224 . 2 2 21 21 GLY C C 13 174.541 0.15 . 1 . . . . A 58 GLY C . 30500 1 1225 . 2 2 21 21 GLY CA C 13 45.508 0.15 . 1 . . . . A 58 GLY CA . 30500 1 1226 . 2 2 21 21 GLY N N 15 107.481 0.2 . 1 . . . . A 58 GLY N . 30500 1 1227 . 2 2 22 22 ALA H H 1 8.15 0.01 . 1 . . . . A 59 ALA H . 30500 1 1228 . 2 2 22 22 ALA HA H 1 4.444 0.01 . 1 . . . . A 59 ALA HA . 30500 1 1229 . 2 2 22 22 ALA HB1 H 1 1.288 0.01 . 1 . . . . A 59 ALA HB1 . 30500 1 1230 . 2 2 22 22 ALA HB2 H 1 1.288 0.01 . 1 . . . . A 59 ALA HB2 . 30500 1 1231 . 2 2 22 22 ALA HB3 H 1 1.288 0.01 . 1 . . . . A 59 ALA HB3 . 30500 1 1232 . 2 2 22 22 ALA CA C 13 50.843 0.15 . 1 . . . . A 59 ALA CA . 30500 1 1233 . 2 2 22 22 ALA CB C 13 18.191 0.15 . 1 . . . . A 59 ALA CB . 30500 1 1234 . 2 2 22 22 ALA N N 15 124.199 0.2 . 1 . . . . A 59 ALA N . 30500 1 1235 . 2 2 23 23 PRO HA H 1 4.422 0.01 . 1 . . . . A 60 PRO HA . 30500 1 1236 . 2 2 23 23 PRO HB2 H 1 2.211 0.01 . 2 . . . . A 60 PRO HB2 . 30500 1 1237 . 2 2 23 23 PRO HB3 H 1 2.028 0.01 . 2 . . . . A 60 PRO HB3 . 30500 1 1238 . 2 2 23 23 PRO HG2 H 1 2.017 0.01 . 2 . . . . A 60 PRO HG2 . 30500 1 1239 . 2 2 23 23 PRO HG3 H 1 2.017 0.01 . 2 . . . . A 60 PRO HG3 . 30500 1 1240 . 2 2 23 23 PRO HD2 H 1 3.709 0.01 . 2 . . . . A 60 PRO HD2 . 30500 1 1241 . 2 2 23 23 PRO HD3 H 1 3.709 0.01 . 2 . . . . A 60 PRO HD3 . 30500 1 1242 . 2 2 23 23 PRO C C 13 176.13 0.15 . 1 . . . . A 60 PRO C . 30500 1 1243 . 2 2 23 23 PRO CA C 13 63.286 0.15 . 1 . . . . A 60 PRO CA . 30500 1 1244 . 2 2 23 23 PRO CB C 13 31.921 0.15 . 1 . . . . A 60 PRO CB . 30500 1 1245 . 2 2 23 23 PRO CG C 13 27.007 0.15 . 1 . . . . A 60 PRO CG . 30500 1 1246 . 2 2 23 23 PRO CD C 13 50.278 0.15 . 1 . . . . A 60 PRO CD . 30500 1 1247 . 2 2 24 24 GLY H H 1 7.749 0.01 . 1 . . . . A 61 GLY H . 30500 1 1248 . 2 2 24 24 GLY HA2 H 1 3.7 0.01 . 2 . . . . A 61 GLY HA2 . 30500 1 1249 . 2 2 24 24 GLY HA3 H 1 3.7 0.01 . 2 . . . . A 61 GLY HA3 . 30500 1 1250 . 2 2 24 24 GLY CA C 13 46.086 0.15 . 1 . . . . A 61 GLY CA . 30500 1 1251 . 2 2 24 24 GLY N N 15 114.19 0.2 . 1 . . . . A 61 GLY N . 30500 1 stop_ save_