data_27529 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27529 _Entry.Title ; backbone resonance assignment of USP7 UBL45 domains (residues 884-1102) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-06-27 _Entry.Accession_date 2018-06-27 _Entry.Last_release_date 2018-06-27 _Entry.Original_release_date 2018-06-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Irina Bezsonova . . . . 27529 2 Sherif Eldirany . . . . 27529 3 Alexandra Pozhidaeva . . . . 27529 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'UCONN Health' . 27529 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27529 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 472 27529 '15N chemical shifts' 169 27529 '1H chemical shifts' 167 27529 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 . . 2018-07-19 . original BMRB . 27529 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27529 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; NMR resonance assignment of ubiquitin specific protease 7 (USP7). ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sherif Eldirany . . . . 27529 1 2 Alexandra Pozhidaeva . . . . 27529 1 3 Irina Bezsonova . . . . 27529 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27529 _Assembly.ID 1 _Assembly.Name 'USP7 UBL45' _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 'USP7 UBL45' 1 $USP7 A . yes native no no . . . 27529 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_USP7 _Entity.Sf_category entity _Entity.Sf_framecode USP7 _Entity.Entry_ID 27529 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name USP7 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(D) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GKITDFENRRSFKCIWLNSQ FREEEITLYPDKHGCVRDLL EECKKAVELGEKASGKLRLL EIVSYKIIGVHQEDELLECL SPATSRTFRIEEIPLDQVDI DKENEMLVTVAHFHKEVFGT FGIPFLLRIHQGEHFREVMK RIQSLLDIQEKEFEKFKFAI VMMGRHQYINEDEYEVNLKD FEPQPGNMSHPRPWLGLDHF NKAPKRSRYTYLEKAIKIHN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 220 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 883 GLY . 27529 1 2 884 LYS . 27529 1 3 885 ILE . 27529 1 4 886 THR . 27529 1 5 887 ASP . 27529 1 6 888 PHE . 27529 1 7 889 GLU . 27529 1 8 890 ASN . 27529 1 9 891 ARG . 27529 1 10 892 ARG . 27529 1 11 893 SER . 27529 1 12 894 PHE . 27529 1 13 895 LYS . 27529 1 14 896 CYS . 27529 1 15 897 ILE . 27529 1 16 898 TRP . 27529 1 17 899 LEU . 27529 1 18 900 ASN . 27529 1 19 901 SER . 27529 1 20 902 GLN . 27529 1 21 903 PHE . 27529 1 22 904 ARG . 27529 1 23 905 GLU . 27529 1 24 906 GLU . 27529 1 25 907 GLU . 27529 1 26 908 ILE . 27529 1 27 909 THR . 27529 1 28 910 LEU . 27529 1 29 911 TYR . 27529 1 30 912 PRO . 27529 1 31 913 ASP . 27529 1 32 914 LYS . 27529 1 33 915 HIS . 27529 1 34 916 GLY . 27529 1 35 917 CYS . 27529 1 36 918 VAL . 27529 1 37 919 ARG . 27529 1 38 920 ASP . 27529 1 39 921 LEU . 27529 1 40 922 LEU . 27529 1 41 923 GLU . 27529 1 42 924 GLU . 27529 1 43 925 CYS . 27529 1 44 926 LYS . 27529 1 45 927 LYS . 27529 1 46 928 ALA . 27529 1 47 929 VAL . 27529 1 48 930 GLU . 27529 1 49 931 LEU . 27529 1 50 932 GLY . 27529 1 51 933 GLU . 27529 1 52 934 LYS . 27529 1 53 935 ALA . 27529 1 54 936 SER . 27529 1 55 937 GLY . 27529 1 56 938 LYS . 27529 1 57 939 LEU . 27529 1 58 940 ARG . 27529 1 59 941 LEU . 27529 1 60 942 LEU . 27529 1 61 943 GLU . 27529 1 62 944 ILE . 27529 1 63 945 VAL . 27529 1 64 946 SER . 27529 1 65 947 TYR . 27529 1 66 948 LYS . 27529 1 67 949 ILE . 27529 1 68 950 ILE . 27529 1 69 951 GLY . 27529 1 70 952 VAL . 27529 1 71 953 HIS . 27529 1 72 954 GLN . 27529 1 73 955 GLU . 27529 1 74 956 ASP . 27529 1 75 957 GLU . 27529 1 76 958 LEU . 27529 1 77 959 LEU . 27529 1 78 960 GLU . 27529 1 79 961 CYS . 27529 1 80 962 LEU . 27529 1 81 963 SER . 27529 1 82 964 PRO . 27529 1 83 965 ALA . 27529 1 84 966 THR . 27529 1 85 967 SER . 27529 1 86 968 ARG . 27529 1 87 969 THR . 27529 1 88 970 PHE . 27529 1 89 971 ARG . 27529 1 90 972 ILE . 27529 1 91 973 GLU . 27529 1 92 974 GLU . 27529 1 93 975 ILE . 27529 1 94 976 PRO . 27529 1 95 977 LEU . 27529 1 96 978 ASP . 27529 1 97 979 GLN . 27529 1 98 980 VAL . 27529 1 99 981 ASP . 27529 1 100 982 ILE . 27529 1 101 983 ASP . 27529 1 102 984 LYS . 27529 1 103 985 GLU . 27529 1 104 986 ASN . 27529 1 105 987 GLU . 27529 1 106 988 MET . 27529 1 107 989 LEU . 27529 1 108 990 VAL . 27529 1 109 991 THR . 27529 1 110 992 VAL . 27529 1 111 993 ALA . 27529 1 112 994 HIS . 27529 1 113 995 PHE . 27529 1 114 996 HIS . 27529 1 115 997 LYS . 27529 1 116 998 GLU . 27529 1 117 999 VAL . 27529 1 118 1000 PHE . 27529 1 119 1001 GLY . 27529 1 120 1002 THR . 27529 1 121 1003 PHE . 27529 1 122 1004 GLY . 27529 1 123 1005 ILE . 27529 1 124 1006 PRO . 27529 1 125 1007 PHE . 27529 1 126 1008 LEU . 27529 1 127 1009 LEU . 27529 1 128 1010 ARG . 27529 1 129 1011 ILE . 27529 1 130 1012 HIS . 27529 1 131 1013 GLN . 27529 1 132 1014 GLY . 27529 1 133 1015 GLU . 27529 1 134 1016 HIS . 27529 1 135 1017 PHE . 27529 1 136 1018 ARG . 27529 1 137 1019 GLU . 27529 1 138 1020 VAL . 27529 1 139 1021 MET . 27529 1 140 1022 LYS . 27529 1 141 1023 ARG . 27529 1 142 1024 ILE . 27529 1 143 1025 GLN . 27529 1 144 1026 SER . 27529 1 145 1027 LEU . 27529 1 146 1028 LEU . 27529 1 147 1029 ASP . 27529 1 148 1030 ILE . 27529 1 149 1031 GLN . 27529 1 150 1032 GLU . 27529 1 151 1033 LYS . 27529 1 152 1034 GLU . 27529 1 153 1035 PHE . 27529 1 154 1036 GLU . 27529 1 155 1037 LYS . 27529 1 156 1038 PHE . 27529 1 157 1039 LYS . 27529 1 158 1040 PHE . 27529 1 159 1041 ALA . 27529 1 160 1042 ILE . 27529 1 161 1043 VAL . 27529 1 162 1044 MET . 27529 1 163 1045 MET . 27529 1 164 1046 GLY . 27529 1 165 1047 ARG . 27529 1 166 1048 HIS . 27529 1 167 1049 GLN . 27529 1 168 1050 TYR . 27529 1 169 1051 ILE . 27529 1 170 1052 ASN . 27529 1 171 1053 GLU . 27529 1 172 1054 ASP . 27529 1 173 1055 GLU . 27529 1 174 1056 TYR . 27529 1 175 1057 GLU . 27529 1 176 1058 VAL . 27529 1 177 1059 ASN . 27529 1 178 1060 LEU . 27529 1 179 1061 LYS . 27529 1 180 1062 ASP . 27529 1 181 1063 PHE . 27529 1 182 1064 GLU . 27529 1 183 1065 PRO . 27529 1 184 1066 GLN . 27529 1 185 1067 PRO . 27529 1 186 1068 GLY . 27529 1 187 1069 ASN . 27529 1 188 1070 MET . 27529 1 189 1071 SER . 27529 1 190 1072 HIS . 27529 1 191 1073 PRO . 27529 1 192 1074 ARG . 27529 1 193 1075 PRO . 27529 1 194 1076 TRP . 27529 1 195 1077 LEU . 27529 1 196 1078 GLY . 27529 1 197 1079 LEU . 27529 1 198 1080 ASP . 27529 1 199 1081 HIS . 27529 1 200 1082 PHE . 27529 1 201 1083 ASN . 27529 1 202 1084 LYS . 27529 1 203 1085 ALA . 27529 1 204 1086 PRO . 27529 1 205 1087 LYS . 27529 1 206 1088 ARG . 27529 1 207 1089 SER . 27529 1 208 1090 ARG . 27529 1 209 1091 TYR . 27529 1 210 1092 THR . 27529 1 211 1093 TYR . 27529 1 212 1094 LEU . 27529 1 213 1095 GLU . 27529 1 214 1096 LYS . 27529 1 215 1097 ALA . 27529 1 216 1098 ILE . 27529 1 217 1099 LYS . 27529 1 218 1100 ILE . 27529 1 219 1101 HIS . 27529 1 220 1102 ASN . 27529 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 27529 1 . LYS 2 2 27529 1 . ILE 3 3 27529 1 . THR 4 4 27529 1 . ASP 5 5 27529 1 . PHE 6 6 27529 1 . GLU 7 7 27529 1 . ASN 8 8 27529 1 . ARG 9 9 27529 1 . ARG 10 10 27529 1 . SER 11 11 27529 1 . PHE 12 12 27529 1 . LYS 13 13 27529 1 . CYS 14 14 27529 1 . ILE 15 15 27529 1 . TRP 16 16 27529 1 . LEU 17 17 27529 1 . ASN 18 18 27529 1 . SER 19 19 27529 1 . GLN 20 20 27529 1 . PHE 21 21 27529 1 . ARG 22 22 27529 1 . GLU 23 23 27529 1 . GLU 24 24 27529 1 . GLU 25 25 27529 1 . ILE 26 26 27529 1 . THR 27 27 27529 1 . LEU 28 28 27529 1 . TYR 29 29 27529 1 . PRO 30 30 27529 1 . ASP 31 31 27529 1 . LYS 32 32 27529 1 . HIS 33 33 27529 1 . GLY 34 34 27529 1 . CYS 35 35 27529 1 . VAL 36 36 27529 1 . ARG 37 37 27529 1 . ASP 38 38 27529 1 . LEU 39 39 27529 1 . LEU 40 40 27529 1 . GLU 41 41 27529 1 . GLU 42 42 27529 1 . CYS 43 43 27529 1 . LYS 44 44 27529 1 . LYS 45 45 27529 1 . ALA 46 46 27529 1 . VAL 47 47 27529 1 . GLU 48 48 27529 1 . LEU 49 49 27529 1 . GLY 50 50 27529 1 . GLU 51 51 27529 1 . LYS 52 52 27529 1 . ALA 53 53 27529 1 . SER 54 54 27529 1 . GLY 55 55 27529 1 . LYS 56 56 27529 1 . LEU 57 57 27529 1 . ARG 58 58 27529 1 . LEU 59 59 27529 1 . LEU 60 60 27529 1 . GLU 61 61 27529 1 . ILE 62 62 27529 1 . VAL 63 63 27529 1 . SER 64 64 27529 1 . TYR 65 65 27529 1 . LYS 66 66 27529 1 . ILE 67 67 27529 1 . ILE 68 68 27529 1 . GLY 69 69 27529 1 . VAL 70 70 27529 1 . HIS 71 71 27529 1 . GLN 72 72 27529 1 . GLU 73 73 27529 1 . ASP 74 74 27529 1 . GLU 75 75 27529 1 . LEU 76 76 27529 1 . LEU 77 77 27529 1 . GLU 78 78 27529 1 . CYS 79 79 27529 1 . LEU 80 80 27529 1 . SER 81 81 27529 1 . PRO 82 82 27529 1 . ALA 83 83 27529 1 . THR 84 84 27529 1 . SER 85 85 27529 1 . ARG 86 86 27529 1 . THR 87 87 27529 1 . PHE 88 88 27529 1 . ARG 89 89 27529 1 . ILE 90 90 27529 1 . GLU 91 91 27529 1 . GLU 92 92 27529 1 . ILE 93 93 27529 1 . PRO 94 94 27529 1 . LEU 95 95 27529 1 . ASP 96 96 27529 1 . GLN 97 97 27529 1 . VAL 98 98 27529 1 . ASP 99 99 27529 1 . ILE 100 100 27529 1 . ASP 101 101 27529 1 . LYS 102 102 27529 1 . GLU 103 103 27529 1 . ASN 104 104 27529 1 . GLU 105 105 27529 1 . MET 106 106 27529 1 . LEU 107 107 27529 1 . VAL 108 108 27529 1 . THR 109 109 27529 1 . VAL 110 110 27529 1 . ALA 111 111 27529 1 . HIS 112 112 27529 1 . PHE 113 113 27529 1 . HIS 114 114 27529 1 . LYS 115 115 27529 1 . GLU 116 116 27529 1 . VAL 117 117 27529 1 . PHE 118 118 27529 1 . GLY 119 119 27529 1 . THR 120 120 27529 1 . PHE 121 121 27529 1 . GLY 122 122 27529 1 . ILE 123 123 27529 1 . PRO 124 124 27529 1 . PHE 125 125 27529 1 . LEU 126 126 27529 1 . LEU 127 127 27529 1 . ARG 128 128 27529 1 . ILE 129 129 27529 1 . HIS 130 130 27529 1 . GLN 131 131 27529 1 . GLY 132 132 27529 1 . GLU 133 133 27529 1 . HIS 134 134 27529 1 . PHE 135 135 27529 1 . ARG 136 136 27529 1 . GLU 137 137 27529 1 . VAL 138 138 27529 1 . MET 139 139 27529 1 . LYS 140 140 27529 1 . ARG 141 141 27529 1 . ILE 142 142 27529 1 . GLN 143 143 27529 1 . SER 144 144 27529 1 . LEU 145 145 27529 1 . LEU 146 146 27529 1 . ASP 147 147 27529 1 . ILE 148 148 27529 1 . GLN 149 149 27529 1 . GLU 150 150 27529 1 . LYS 151 151 27529 1 . GLU 152 152 27529 1 . PHE 153 153 27529 1 . GLU 154 154 27529 1 . LYS 155 155 27529 1 . PHE 156 156 27529 1 . LYS 157 157 27529 1 . PHE 158 158 27529 1 . ALA 159 159 27529 1 . ILE 160 160 27529 1 . VAL 161 161 27529 1 . MET 162 162 27529 1 . MET 163 163 27529 1 . GLY 164 164 27529 1 . ARG 165 165 27529 1 . HIS 166 166 27529 1 . GLN 167 167 27529 1 . TYR 168 168 27529 1 . ILE 169 169 27529 1 . ASN 170 170 27529 1 . GLU 171 171 27529 1 . ASP 172 172 27529 1 . GLU 173 173 27529 1 . TYR 174 174 27529 1 . GLU 175 175 27529 1 . VAL 176 176 27529 1 . ASN 177 177 27529 1 . LEU 178 178 27529 1 . LYS 179 179 27529 1 . ASP 180 180 27529 1 . PHE 181 181 27529 1 . GLU 182 182 27529 1 . PRO 183 183 27529 1 . GLN 184 184 27529 1 . PRO 185 185 27529 1 . GLY 186 186 27529 1 . ASN 187 187 27529 1 . MET 188 188 27529 1 . SER 189 189 27529 1 . HIS 190 190 27529 1 . PRO 191 191 27529 1 . ARG 192 192 27529 1 . PRO 193 193 27529 1 . TRP 194 194 27529 1 . LEU 195 195 27529 1 . GLY 196 196 27529 1 . LEU 197 197 27529 1 . ASP 198 198 27529 1 . HIS 199 199 27529 1 . PHE 200 200 27529 1 . ASN 201 201 27529 1 . LYS 202 202 27529 1 . ALA 203 203 27529 1 . PRO 204 204 27529 1 . LYS 205 205 27529 1 . ARG 206 206 27529 1 . SER 207 207 27529 1 . ARG 208 208 27529 1 . TYR 209 209 27529 1 . THR 210 210 27529 1 . TYR 211 211 27529 1 . LEU 212 212 27529 1 . GLU 213 213 27529 1 . LYS 214 214 27529 1 . ALA 215 215 27529 1 . ILE 216 216 27529 1 . LYS 217 217 27529 1 . ILE 218 218 27529 1 . HIS 219 219 27529 1 . ASN 220 220 27529 1 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 27529 _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 $USP7 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27529 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 27529 _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 $USP7 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet15b . . . 27529 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27529 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 USP7 '[U-100% 13C; U-100% 15N]' . . 1 $USP7 . . 0.9 . . mM . . . . 27529 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27529 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 27529 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 27529 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27529 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27529 1 pH 7 . pH 27529 1 pressure 1 . atm 27529 1 temperature 308 . K 27529 1 stop_ save_ ############################ # Computer software used # ############################ save_ccpNMR_Analysis _Software.Sf_category software _Software.Sf_framecode ccpNMR_Analysis _Software.Entry_ID 27529 _Software.ID 1 _Software.Type . _Software.Name ccpNMR_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27529 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27529 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27529 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 27529 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Avance . 800 . . . 27529 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 27529 _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 $spectrometer_1 . . . . . . . . . . . . . . . . 27529 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27529 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27529 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27529 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27529 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27529 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27529 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27529 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 174.971 internal indirect 0.251449530 . . . . . 27529 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 27529 1 N 15 water protons . . . . ppm 119.47 internal indirect 0.101329118 . . . . . 27529 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27529 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27529 1 2 '3D HNCA' . . . 27529 1 3 '3D HNCACB' . . . 27529 1 4 '3D HNCO' . . . 27529 1 5 '3D HCACO' . . . 27529 1 6 '3D HN(CO)CA' . . . 27529 1 7 '3D 1H-15N NOESY' . . . 27529 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 2 2 LYS H H 1 8.345 0.001 . 1 . . . . . 884 LYS H . 27529 1 2 . 1 1 2 2 LYS C C 13 176.720 0.012 . 1 . . . . . 884 LYS C . 27529 1 3 . 1 1 2 2 LYS CA C 13 55.991 0.000 . 1 . . . . . 884 LYS CA . 27529 1 4 . 1 1 2 2 LYS CB C 13 31.991 0.000 . 1 . . . . . 884 LYS CB . 27529 1 5 . 1 1 2 2 LYS N N 15 122.228 0.040 . 1 . . . . . 884 LYS N . 27529 1 6 . 1 1 3 3 ILE H H 1 8.297 0.001 . 1 . . . . . 885 ILE H . 27529 1 7 . 1 1 3 3 ILE C C 13 176.418 0.006 . 1 . . . . . 885 ILE C . 27529 1 8 . 1 1 3 3 ILE CA C 13 60.822 0.018 . 1 . . . . . 885 ILE CA . 27529 1 9 . 1 1 3 3 ILE CB C 13 37.511 0.000 . 1 . . . . . 885 ILE CB . 27529 1 10 . 1 1 3 3 ILE N N 15 123.394 0.028 . 1 . . . . . 885 ILE N . 27529 1 11 . 1 1 4 4 THR H H 1 8.073 0.001 . 1 . . . . . 886 THR H . 27529 1 12 . 1 1 4 4 THR C C 13 174.098 0.009 . 1 . . . . . 886 THR C . 27529 1 13 . 1 1 4 4 THR CA C 13 61.376 0.011 . 1 . . . . . 886 THR CA . 27529 1 14 . 1 1 4 4 THR CB C 13 69.104 0.000 . 1 . . . . . 886 THR CB . 27529 1 15 . 1 1 4 4 THR N N 15 117.751 0.022 . 1 . . . . . 886 THR N . 27529 1 16 . 1 1 5 5 ASP H H 1 8.104 0.001 . 1 . . . . . 887 ASP H . 27529 1 17 . 1 1 5 5 ASP C C 13 176.251 0.016 . 1 . . . . . 887 ASP C . 27529 1 18 . 1 1 5 5 ASP CA C 13 53.806 0.012 . 1 . . . . . 887 ASP CA . 27529 1 19 . 1 1 5 5 ASP CB C 13 40.200 0.000 . 1 . . . . . 887 ASP CB . 27529 1 20 . 1 1 5 5 ASP N N 15 123.177 0.023 . 1 . . . . . 887 ASP N . 27529 1 21 . 1 1 6 6 PHE H H 1 8.128 0.001 . 1 . . . . . 888 PHE H . 27529 1 22 . 1 1 6 6 PHE CA C 13 58.582 0.010 . 1 . . . . . 888 PHE CA . 27529 1 23 . 1 1 6 6 PHE CB C 13 38.413 0.000 . 1 . . . . . 888 PHE CB . 27529 1 24 . 1 1 6 6 PHE N N 15 120.845 0.024 . 1 . . . . . 888 PHE N . 27529 1 25 . 1 1 7 7 GLU H H 1 8.463 0.002 . 1 . . . . . 889 GLU H . 27529 1 26 . 1 1 7 7 GLU C C 13 176.612 0.068 . 1 . . . . . 889 GLU C . 27529 1 27 . 1 1 7 7 GLU CA C 13 57.483 0.037 . 1 . . . . . 889 GLU CA . 27529 1 28 . 1 1 7 7 GLU CB C 13 28.780 0.000 . 1 . . . . . 889 GLU CB . 27529 1 29 . 1 1 7 7 GLU N N 15 120.718 0.024 . 1 . . . . . 889 GLU N . 27529 1 30 . 1 1 8 8 ASN H H 1 8.232 0.002 . 1 . . . . . 890 ASN H . 27529 1 31 . 1 1 8 8 ASN C C 13 174.487 0.009 . 1 . . . . . 890 ASN C . 27529 1 32 . 1 1 8 8 ASN CA C 13 53.120 0.015 . 1 . . . . . 890 ASN CA . 27529 1 33 . 1 1 8 8 ASN CB C 13 38.719 0.000 . 1 . . . . . 890 ASN CB . 27529 1 34 . 1 1 8 8 ASN N N 15 117.473 0.019 . 1 . . . . . 890 ASN N . 27529 1 35 . 1 1 9 9 ARG H H 1 7.720 0.003 . 1 . . . . . 891 ARG H . 27529 1 36 . 1 1 9 9 ARG C C 13 175.516 0.009 . 1 . . . . . 891 ARG C . 27529 1 37 . 1 1 9 9 ARG CA C 13 54.715 0.024 . 1 . . . . . 891 ARG CA . 27529 1 38 . 1 1 9 9 ARG CB C 13 30.751 0.000 . 1 . . . . . 891 ARG CB . 27529 1 39 . 1 1 9 9 ARG N N 15 119.233 0.015 . 1 . . . . . 891 ARG N . 27529 1 40 . 1 1 10 10 ARG H H 1 8.383 0.001 . 1 . . . . . 892 ARG H . 27529 1 41 . 1 1 10 10 ARG C C 13 173.924 0.010 . 1 . . . . . 892 ARG C . 27529 1 42 . 1 1 10 10 ARG CA C 13 53.405 0.017 . 1 . . . . . 892 ARG CA . 27529 1 43 . 1 1 10 10 ARG CB C 13 31.865 0.000 . 1 . . . . . 892 ARG CB . 27529 1 44 . 1 1 10 10 ARG N N 15 121.634 0.016 . 1 . . . . . 892 ARG N . 27529 1 45 . 1 1 11 11 SER H H 1 8.291 0.001 . 1 . . . . . 893 SER H . 27529 1 46 . 1 1 11 11 SER C C 13 174.483 0.013 . 1 . . . . . 893 SER C . 27529 1 47 . 1 1 11 11 SER CA C 13 57.001 0.032 . 1 . . . . . 893 SER CA . 27529 1 48 . 1 1 11 11 SER CB C 13 62.984 0.000 . 1 . . . . . 893 SER CB . 27529 1 49 . 1 1 11 11 SER N N 15 117.110 0.029 . 1 . . . . . 893 SER N . 27529 1 50 . 1 1 12 12 PHE H H 1 9.164 0.002 . 1 . . . . . 894 PHE H . 27529 1 51 . 1 1 12 12 PHE C C 13 173.646 0.015 . 1 . . . . . 894 PHE C . 27529 1 52 . 1 1 12 12 PHE CA C 13 57.108 0.005 . 1 . . . . . 894 PHE CA . 27529 1 53 . 1 1 12 12 PHE CB C 13 41.183 0.000 . 1 . . . . . 894 PHE CB . 27529 1 54 . 1 1 12 12 PHE N N 15 129.954 0.036 . 1 . . . . . 894 PHE N . 27529 1 55 . 1 1 13 13 LYS H H 1 8.125 0.002 . 1 . . . . . 895 LYS H . 27529 1 56 . 1 1 13 13 LYS C C 13 175.830 0.065 . 1 . . . . . 895 LYS C . 27529 1 57 . 1 1 13 13 LYS CA C 13 55.888 0.033 . 1 . . . . . 895 LYS CA . 27529 1 58 . 1 1 13 13 LYS CB C 13 31.924 0.000 . 1 . . . . . 895 LYS CB . 27529 1 59 . 1 1 13 13 LYS N N 15 129.903 0.031 . 1 . . . . . 895 LYS N . 27529 1 60 . 1 1 14 14 CYS H H 1 9.083 0.002 . 1 . . . . . 896 CYS H . 27529 1 61 . 1 1 14 14 CYS C C 13 171.749 0.000 . 1 . . . . . 896 CYS C . 27529 1 62 . 1 1 14 14 CYS CA C 13 56.085 0.010 . 1 . . . . . 896 CYS CA . 27529 1 63 . 1 1 14 14 CYS CB C 13 30.011 0.000 . 1 . . . . . 896 CYS CB . 27529 1 64 . 1 1 14 14 CYS N N 15 120.978 0.029 . 1 . . . . . 896 CYS N . 27529 1 65 . 1 1 16 16 TRP CA C 13 54.058 0.000 . 1 . . . . . 898 TRP CA . 27529 1 66 . 1 1 17 17 LEU H H 1 7.923 0.003 . 1 . . . . . 899 LEU H . 27529 1 67 . 1 1 17 17 LEU C C 13 173.323 0.003 . 1 . . . . . 899 LEU C . 27529 1 68 . 1 1 17 17 LEU CA C 13 51.976 0.000 . 1 . . . . . 899 LEU CA . 27529 1 69 . 1 1 17 17 LEU CB C 13 43.386 0.000 . 1 . . . . . 899 LEU CB . 27529 1 70 . 1 1 17 17 LEU N N 15 131.746 0.035 . 1 . . . . . 899 LEU N . 27529 1 71 . 1 1 18 18 ASN H H 1 7.575 0.003 . 1 . . . . . 900 ASN H . 27529 1 72 . 1 1 18 18 ASN C C 13 177.445 0.015 . 1 . . . . . 900 ASN C . 27529 1 73 . 1 1 18 18 ASN CA C 13 50.861 0.061 . 1 . . . . . 900 ASN CA . 27529 1 74 . 1 1 18 18 ASN CB C 13 38.730 0.000 . 1 . . . . . 900 ASN CB . 27529 1 75 . 1 1 18 18 ASN N N 15 122.495 0.025 . 1 . . . . . 900 ASN N . 27529 1 76 . 1 1 19 19 SER H H 1 8.355 0.001 . 1 . . . . . 901 SER H . 27529 1 77 . 1 1 19 19 SER C C 13 175.129 0.013 . 1 . . . . . 901 SER C . 27529 1 78 . 1 1 19 19 SER CA C 13 60.590 0.078 . 1 . . . . . 901 SER CA . 27529 1 79 . 1 1 19 19 SER CB C 13 62.262 0.000 . 1 . . . . . 901 SER CB . 27529 1 80 . 1 1 19 19 SER N N 15 113.135 0.027 . 1 . . . . . 901 SER N . 27529 1 81 . 1 1 20 20 GLN H H 1 7.603 0.004 . 1 . . . . . 902 GLN H . 27529 1 82 . 1 1 20 20 GLN C C 13 174.778 0.017 . 1 . . . . . 902 GLN C . 27529 1 83 . 1 1 20 20 GLN CA C 13 55.025 0.000 . 1 . . . . . 902 GLN CA . 27529 1 84 . 1 1 20 20 GLN CB C 13 27.715 0.000 . 1 . . . . . 902 GLN CB . 27529 1 85 . 1 1 20 20 GLN N N 15 120.122 0.020 . 1 . . . . . 902 GLN N . 27529 1 86 . 1 1 21 21 PHE H H 1 8.267 0.002 . 1 . . . . . 903 PHE H . 27529 1 87 . 1 1 21 21 PHE C C 13 173.522 0.013 . 1 . . . . . 903 PHE C . 27529 1 88 . 1 1 21 21 PHE CA C 13 59.588 0.045 . 1 . . . . . 903 PHE CA . 27529 1 89 . 1 1 21 21 PHE CB C 13 35.659 0.000 . 1 . . . . . 903 PHE CB . 27529 1 90 . 1 1 21 21 PHE N N 15 117.695 0.029 . 1 . . . . . 903 PHE N . 27529 1 91 . 1 1 22 22 ARG H H 1 7.348 0.002 . 1 . . . . . 904 ARG H . 27529 1 92 . 1 1 22 22 ARG C C 13 175.933 0.017 . 1 . . . . . 904 ARG C . 27529 1 93 . 1 1 22 22 ARG CA C 13 53.985 0.044 . 1 . . . . . 904 ARG CA . 27529 1 94 . 1 1 22 22 ARG CB C 13 30.681 0.000 . 1 . . . . . 904 ARG CB . 27529 1 95 . 1 1 22 22 ARG N N 15 115.890 0.031 . 1 . . . . . 904 ARG N . 27529 1 96 . 1 1 23 23 GLU H H 1 8.527 0.002 . 1 . . . . . 905 GLU H . 27529 1 97 . 1 1 23 23 GLU C C 13 176.565 0.016 . 1 . . . . . 905 GLU C . 27529 1 98 . 1 1 23 23 GLU CA C 13 55.499 0.010 . 1 . . . . . 905 GLU CA . 27529 1 99 . 1 1 23 23 GLU CB C 13 31.899 0.000 . 1 . . . . . 905 GLU CB . 27529 1 100 . 1 1 23 23 GLU N N 15 123.505 0.027 . 1 . . . . . 905 GLU N . 27529 1 101 . 1 1 24 24 GLU H H 1 9.156 0.003 . 1 . . . . . 906 GLU H . 27529 1 102 . 1 1 24 24 GLU C C 13 174.781 0.006 . 1 . . . . . 906 GLU C . 27529 1 103 . 1 1 24 24 GLU CA C 13 54.694 0.007 . 1 . . . . . 906 GLU CA . 27529 1 104 . 1 1 24 24 GLU CB C 13 32.452 0.000 . 1 . . . . . 906 GLU CB . 27529 1 105 . 1 1 24 24 GLU N N 15 123.926 0.037 . 1 . . . . . 906 GLU N . 27529 1 106 . 1 1 25 25 GLU H H 1 8.791 0.002 . 1 . . . . . 907 GLU H . 27529 1 107 . 1 1 25 25 GLU CA C 13 56.573 0.024 . 1 . . . . . 907 GLU CA . 27529 1 108 . 1 1 25 25 GLU CB C 13 29.655 0.000 . 1 . . . . . 907 GLU CB . 27529 1 109 . 1 1 25 25 GLU N N 15 125.493 0.024 . 1 . . . . . 907 GLU N . 27529 1 110 . 1 1 26 26 ILE H H 1 9.025 0.003 . 1 . . . . . 908 ILE H . 27529 1 111 . 1 1 26 26 ILE C C 13 173.568 0.011 . 1 . . . . . 908 ILE C . 27529 1 112 . 1 1 26 26 ILE CA C 13 59.778 0.000 . 1 . . . . . 908 ILE CA . 27529 1 113 . 1 1 26 26 ILE CB C 13 29.727 0.000 . 1 . . . . . 908 ILE CB . 27529 1 114 . 1 1 26 26 ILE N N 15 123.821 0.042 . 1 . . . . . 908 ILE N . 27529 1 115 . 1 1 27 27 THR H H 1 8.135 0.002 . 1 . . . . . 909 THR H . 27529 1 116 . 1 1 27 27 THR C C 13 172.471 0.009 . 1 . . . . . 909 THR C . 27529 1 117 . 1 1 27 27 THR CA C 13 61.914 0.064 . 1 . . . . . 909 THR CA . 27529 1 118 . 1 1 27 27 THR CB C 13 69.103 0.000 . 1 . . . . . 909 THR CB . 27529 1 119 . 1 1 27 27 THR N N 15 118.719 0.033 . 1 . . . . . 909 THR N . 27529 1 120 . 1 1 28 28 LEU H H 1 8.251 0.002 . 1 . . . . . 910 LEU H . 27529 1 121 . 1 1 28 28 LEU C C 13 174.595 0.010 . 1 . . . . . 910 LEU C . 27529 1 122 . 1 1 28 28 LEU CA C 13 51.969 0.012 . 1 . . . . . 910 LEU CA . 27529 1 123 . 1 1 28 28 LEU CB C 13 43.995 0.000 . 1 . . . . . 910 LEU CB . 27529 1 124 . 1 1 28 28 LEU N N 15 126.907 0.036 . 1 . . . . . 910 LEU N . 27529 1 125 . 1 1 29 29 TYR H H 1 9.088 0.001 . 1 . . . . . 911 TYR H . 27529 1 126 . 1 1 29 29 TYR C C 13 173.617 0.000 . 1 . . . . . 911 TYR C . 27529 1 127 . 1 1 29 29 TYR CA C 13 54.678 0.006 . 1 . . . . . 911 TYR CA . 27529 1 128 . 1 1 29 29 TYR CB C 13 38.127 0.000 . 1 . . . . . 911 TYR CB . 27529 1 129 . 1 1 29 29 TYR N N 15 116.611 0.028 . 1 . . . . . 911 TYR N . 27529 1 130 . 1 1 31 31 ASP H H 1 8.463 0.001 . 1 . . . . . 913 ASP H . 27529 1 131 . 1 1 31 31 ASP C C 13 178.019 0.011 . 1 . . . . . 913 ASP C . 27529 1 132 . 1 1 31 31 ASP CA C 13 54.745 0.021 . 1 . . . . . 913 ASP CA . 27529 1 133 . 1 1 31 31 ASP CB C 13 41.958 0.000 . 1 . . . . . 913 ASP CB . 27529 1 134 . 1 1 31 31 ASP N N 15 119.438 0.009 . 1 . . . . . 913 ASP N . 27529 1 135 . 1 1 32 32 LYS H H 1 8.679 0.004 . 1 . . . . . 914 LYS H . 27529 1 136 . 1 1 32 32 LYS C C 13 177.559 0.018 . 1 . . . . . 914 LYS C . 27529 1 137 . 1 1 32 32 LYS CA C 13 58.227 0.022 . 1 . . . . . 914 LYS CA . 27529 1 138 . 1 1 32 32 LYS CB C 13 31.422 0.000 . 1 . . . . . 914 LYS CB . 27529 1 139 . 1 1 32 32 LYS N N 15 125.700 0.028 . 1 . . . . . 914 LYS N . 27529 1 140 . 1 1 33 33 HIS H H 1 8.800 0.002 . 1 . . . . . 915 HIS H . 27529 1 141 . 1 1 33 33 HIS C C 13 174.943 0.011 . 1 . . . . . 915 HIS C . 27529 1 142 . 1 1 33 33 HIS CA C 13 55.323 0.027 . 1 . . . . . 915 HIS CA . 27529 1 143 . 1 1 33 33 HIS CB C 13 27.900 0.000 . 1 . . . . . 915 HIS CB . 27529 1 144 . 1 1 33 33 HIS N N 15 118.762 0.031 . 1 . . . . . 915 HIS N . 27529 1 145 . 1 1 34 34 GLY H H 1 7.746 0.002 . 1 . . . . . 916 GLY H . 27529 1 146 . 1 1 34 34 GLY C C 13 173.068 0.012 . 1 . . . . . 916 GLY C . 27529 1 147 . 1 1 34 34 GLY CA C 13 44.224 0.030 . 1 . . . . . 916 GLY CA . 27529 1 148 . 1 1 34 34 GLY N N 15 105.940 0.030 . 1 . . . . . 916 GLY N . 27529 1 149 . 1 1 35 35 CYS H H 1 9.668 0.002 . 1 . . . . . 917 CYS H . 27529 1 150 . 1 1 35 35 CYS CA C 13 56.059 0.017 . 1 . . . . . 917 CYS CA . 27529 1 151 . 1 1 35 35 CYS CB C 13 31.991 0.000 . 1 . . . . . 917 CYS CB . 27529 1 152 . 1 1 35 35 CYS N N 15 117.057 0.019 . 1 . . . . . 917 CYS N . 27529 1 153 . 1 1 36 36 VAL H H 1 8.803 0.002 . 1 . . . . . 918 VAL H . 27529 1 154 . 1 1 36 36 VAL C C 13 177.703 0.005 . 1 . . . . . 918 VAL C . 27529 1 155 . 1 1 36 36 VAL CA C 13 67.348 0.000 . 1 . . . . . 918 VAL CA . 27529 1 156 . 1 1 36 36 VAL CB C 13 30.443 0.000 . 1 . . . . . 918 VAL CB . 27529 1 157 . 1 1 36 36 VAL N N 15 124.647 0.040 . 1 . . . . . 918 VAL N . 27529 1 158 . 1 1 37 37 ARG H H 1 9.112 0.003 . 1 . . . . . 919 ARG H . 27529 1 159 . 1 1 37 37 ARG C C 13 177.357 0.018 . 1 . . . . . 919 ARG C . 27529 1 160 . 1 1 37 37 ARG CA C 13 59.739 0.026 . 1 . . . . . 919 ARG CA . 27529 1 161 . 1 1 37 37 ARG CB C 13 29.596 0.000 . 1 . . . . . 919 ARG CB . 27529 1 162 . 1 1 37 37 ARG N N 15 119.952 0.022 . 1 . . . . . 919 ARG N . 27529 1 163 . 1 1 38 38 ASP H H 1 7.391 0.005 . 1 . . . . . 920 ASP H . 27529 1 164 . 1 1 38 38 ASP C C 13 179.041 0.000 . 1 . . . . . 920 ASP C . 27529 1 165 . 1 1 38 38 ASP CA C 13 57.402 0.030 . 1 . . . . . 920 ASP CA . 27529 1 166 . 1 1 38 38 ASP CB C 13 40.324 0.000 . 1 . . . . . 920 ASP CB . 27529 1 167 . 1 1 38 38 ASP N N 15 118.168 0.023 . 1 . . . . . 920 ASP N . 27529 1 168 . 1 1 39 39 LEU H H 1 7.329 0.002 . 1 . . . . . 921 LEU H . 27529 1 169 . 1 1 39 39 LEU CA C 13 57.543 0.010 . 1 . . . . . 921 LEU CA . 27529 1 170 . 1 1 39 39 LEU N N 15 121.895 0.017 . 1 . . . . . 921 LEU N . 27529 1 171 . 1 1 40 40 LEU H H 1 8.274 0.001 . 1 . . . . . 922 LEU H . 27529 1 172 . 1 1 40 40 LEU C C 13 179.272 0.004 . 1 . . . . . 922 LEU C . 27529 1 173 . 1 1 40 40 LEU CA C 13 57.468 0.000 . 1 . . . . . 922 LEU CA . 27529 1 174 . 1 1 40 40 LEU N N 15 117.777 0.009 . 1 . . . . . 922 LEU N . 27529 1 175 . 1 1 41 41 GLU H H 1 8.180 0.002 . 1 . . . . . 923 GLU H . 27529 1 176 . 1 1 41 41 GLU C C 13 179.834 0.007 . 1 . . . . . 923 GLU C . 27529 1 177 . 1 1 41 41 GLU CA C 13 58.763 0.043 . 1 . . . . . 923 GLU CA . 27529 1 178 . 1 1 41 41 GLU CB C 13 28.310 0.000 . 1 . . . . . 923 GLU CB . 27529 1 179 . 1 1 41 41 GLU N N 15 119.198 0.017 . 1 . . . . . 923 GLU N . 27529 1 180 . 1 1 42 42 GLU H H 1 7.747 0.002 . 1 . . . . . 924 GLU H . 27529 1 181 . 1 1 42 42 GLU C C 13 179.038 0.012 . 1 . . . . . 924 GLU C . 27529 1 182 . 1 1 42 42 GLU CA C 13 58.086 0.006 . 1 . . . . . 924 GLU CA . 27529 1 183 . 1 1 42 42 GLU CB C 13 28.230 0.000 . 1 . . . . . 924 GLU CB . 27529 1 184 . 1 1 42 42 GLU N N 15 118.734 0.014 . 1 . . . . . 924 GLU N . 27529 1 185 . 1 1 43 43 CYS H H 1 8.105 0.002 . 1 . . . . . 925 CYS H . 27529 1 186 . 1 1 43 43 CYS C C 13 176.051 0.000 . 1 . . . . . 925 CYS C . 27529 1 187 . 1 1 43 43 CYS CA C 13 62.232 0.010 . 1 . . . . . 925 CYS CA . 27529 1 188 . 1 1 43 43 CYS CB C 13 25.570 0.000 . 1 . . . . . 925 CYS CB . 27529 1 189 . 1 1 43 43 CYS N N 15 121.339 0.030 . 1 . . . . . 925 CYS N . 27529 1 190 . 1 1 44 44 LYS H H 1 7.822 0.002 . 1 . . . . . 926 LYS H . 27529 1 191 . 1 1 44 44 LYS C C 13 177.049 0.079 . 1 . . . . . 926 LYS C . 27529 1 192 . 1 1 44 44 LYS CA C 13 59.292 0.017 . 1 . . . . . 926 LYS CA . 27529 1 193 . 1 1 44 44 LYS CB C 13 31.729 0.000 . 1 . . . . . 926 LYS CB . 27529 1 194 . 1 1 44 44 LYS N N 15 117.080 0.019 . 1 . . . . . 926 LYS N . 27529 1 195 . 1 1 45 45 LYS H H 1 6.908 0.003 . 1 . . . . . 927 LYS H . 27529 1 196 . 1 1 45 45 LYS CA C 13 57.176 0.024 . 1 . . . . . 927 LYS CA . 27529 1 197 . 1 1 45 45 LYS CB C 13 31.935 0.000 . 1 . . . . . 927 LYS CB . 27529 1 198 . 1 1 45 45 LYS N N 15 113.679 0.034 . 1 . . . . . 927 LYS N . 27529 1 199 . 1 1 46 46 ALA H H 1 7.547 0.002 . 1 . . . . . 928 ALA H . 27529 1 200 . 1 1 46 46 ALA C C 13 177.534 0.009 . 1 . . . . . 928 ALA C . 27529 1 201 . 1 1 46 46 ALA CA C 13 52.578 0.040 . 1 . . . . . 928 ALA CA . 27529 1 202 . 1 1 46 46 ALA CB C 13 20.547 0.000 . 1 . . . . . 928 ALA CB . 27529 1 203 . 1 1 46 46 ALA N N 15 121.209 0.029 . 1 . . . . . 928 ALA N . 27529 1 204 . 1 1 47 47 VAL H H 1 7.028 0.003 . 1 . . . . . 929 VAL H . 27529 1 205 . 1 1 47 47 VAL C C 13 174.359 0.007 . 1 . . . . . 929 VAL C . 27529 1 206 . 1 1 47 47 VAL CA C 13 58.800 0.042 . 1 . . . . . 929 VAL CA . 27529 1 207 . 1 1 47 47 VAL CB C 13 33.678 0.000 . 1 . . . . . 929 VAL CB . 27529 1 208 . 1 1 47 47 VAL N N 15 111.353 0.027 . 1 . . . . . 929 VAL N . 27529 1 209 . 1 1 48 48 GLU H H 1 7.832 0.002 . 1 . . . . . 930 GLU H . 27529 1 210 . 1 1 48 48 GLU C C 13 176.156 0.009 . 1 . . . . . 930 GLU C . 27529 1 211 . 1 1 48 48 GLU CA C 13 54.890 0.034 . 1 . . . . . 930 GLU CA . 27529 1 212 . 1 1 48 48 GLU CB C 13 29.408 0.000 . 1 . . . . . 930 GLU CB . 27529 1 213 . 1 1 48 48 GLU N N 15 119.948 0.016 . 1 . . . . . 930 GLU N . 27529 1 214 . 1 1 49 49 LEU H H 1 8.292 0.001 . 1 . . . . . 931 LEU H . 27529 1 215 . 1 1 49 49 LEU C C 13 177.990 0.019 . 1 . . . . . 931 LEU C . 27529 1 216 . 1 1 49 49 LEU CA C 13 54.448 0.034 . 1 . . . . . 931 LEU CA . 27529 1 217 . 1 1 49 49 LEU CB C 13 40.938 0.000 . 1 . . . . . 931 LEU CB . 27529 1 218 . 1 1 49 49 LEU N N 15 126.115 0.026 . 1 . . . . . 931 LEU N . 27529 1 219 . 1 1 50 50 GLY H H 1 9.632 0.003 . 1 . . . . . 932 GLY H . 27529 1 220 . 1 1 50 50 GLY C C 13 174.822 0.009 . 1 . . . . . 932 GLY C . 27529 1 221 . 1 1 50 50 GLY CA C 13 44.745 0.029 . 1 . . . . . 932 GLY CA . 27529 1 222 . 1 1 50 50 GLY N N 15 109.784 0.018 . 1 . . . . . 932 GLY N . 27529 1 223 . 1 1 51 51 GLU H H 1 8.571 0.002 . 1 . . . . . 933 GLU H . 27529 1 224 . 1 1 51 51 GLU C C 13 177.073 0.010 . 1 . . . . . 933 GLU C . 27529 1 225 . 1 1 51 51 GLU CA C 13 57.054 0.007 . 1 . . . . . 933 GLU CA . 27529 1 226 . 1 1 51 51 GLU CB C 13 29.232 0.000 . 1 . . . . . 933 GLU CB . 27529 1 227 . 1 1 51 51 GLU N N 15 122.565 0.043 . 1 . . . . . 933 GLU N . 27529 1 228 . 1 1 52 52 LYS H H 1 8.647 0.001 . 1 . . . . . 934 LYS H . 27529 1 229 . 1 1 52 52 LYS C C 13 175.445 0.010 . 1 . . . . . 934 LYS C . 27529 1 230 . 1 1 52 52 LYS CA C 13 55.608 0.017 . 1 . . . . . 934 LYS CA . 27529 1 231 . 1 1 52 52 LYS CB C 13 30.579 0.000 . 1 . . . . . 934 LYS CB . 27529 1 232 . 1 1 52 52 LYS N N 15 120.848 0.029 . 1 . . . . . 934 LYS N . 27529 1 233 . 1 1 53 53 ALA H H 1 7.619 0.002 . 1 . . . . . 935 ALA H . 27529 1 234 . 1 1 53 53 ALA C C 13 176.964 0.018 . 1 . . . . . 935 ALA C . 27529 1 235 . 1 1 53 53 ALA CA C 13 50.947 0.048 . 1 . . . . . 935 ALA CA . 27529 1 236 . 1 1 53 53 ALA N N 15 124.108 0.026 . 1 . . . . . 935 ALA N . 27529 1 237 . 1 1 54 54 SER H H 1 8.352 0.001 . 1 . . . . . 936 SER H . 27529 1 238 . 1 1 54 54 SER C C 13 176.271 0.009 . 1 . . . . . 936 SER C . 27529 1 239 . 1 1 54 54 SER CA C 13 60.386 0.058 . 1 . . . . . 936 SER CA . 27529 1 240 . 1 1 54 54 SER CB C 13 63.934 0.000 . 1 . . . . . 936 SER CB . 27529 1 241 . 1 1 54 54 SER N N 15 114.798 0.019 . 1 . . . . . 936 SER N . 27529 1 242 . 1 1 55 55 GLY H H 1 9.809 0.002 . 1 . . . . . 937 GLY H . 27529 1 243 . 1 1 55 55 GLY C C 13 172.819 0.012 . 1 . . . . . 937 GLY C . 27529 1 244 . 1 1 55 55 GLY CA C 13 45.450 0.016 . 1 . . . . . 937 GLY CA . 27529 1 245 . 1 1 55 55 GLY N N 15 114.517 0.044 . 1 . . . . . 937 GLY N . 27529 1 246 . 1 1 56 56 LYS H H 1 8.201 0.004 . 1 . . . . . 938 LYS H . 27529 1 247 . 1 1 56 56 LYS C C 13 174.649 0.018 . 1 . . . . . 938 LYS C . 27529 1 248 . 1 1 56 56 LYS CA C 13 54.234 0.023 . 1 . . . . . 938 LYS CA . 27529 1 249 . 1 1 56 56 LYS CB C 13 33.891 0.000 . 1 . . . . . 938 LYS CB . 27529 1 250 . 1 1 56 56 LYS N N 15 120.687 0.020 . 1 . . . . . 938 LYS N . 27529 1 251 . 1 1 57 57 LEU H H 1 8.574 0.001 . 1 . . . . . 939 LEU H . 27529 1 252 . 1 1 57 57 LEU C C 13 175.667 0.000 . 1 . . . . . 939 LEU C . 27529 1 253 . 1 1 57 57 LEU N N 15 122.412 0.014 . 1 . . . . . 939 LEU N . 27529 1 254 . 1 1 63 63 VAL H H 1 8.551 0.003 . 1 . . . . . 945 VAL H . 27529 1 255 . 1 1 63 63 VAL C C 13 176.009 0.018 . 1 . . . . . 945 VAL C . 27529 1 256 . 1 1 63 63 VAL CA C 13 61.052 0.003 . 1 . . . . . 945 VAL CA . 27529 1 257 . 1 1 63 63 VAL CB C 13 34.932 0.000 . 1 . . . . . 945 VAL CB . 27529 1 258 . 1 1 63 63 VAL N N 15 126.829 0.033 . 1 . . . . . 945 VAL N . 27529 1 259 . 1 1 64 64 SER H H 1 9.131 0.003 . 1 . . . . . 946 SER H . 27529 1 260 . 1 1 64 64 SER C C 13 174.534 0.011 . 1 . . . . . 946 SER C . 27529 1 261 . 1 1 64 64 SER CA C 13 58.305 0.051 . 1 . . . . . 946 SER CA . 27529 1 262 . 1 1 64 64 SER CB C 13 61.070 0.038 . 1 . . . . . 946 SER CB . 27529 1 263 . 1 1 64 64 SER N N 15 125.163 0.027 . 1 . . . . . 946 SER N . 27529 1 264 . 1 1 65 65 TYR H H 1 8.155 0.007 . 1 . . . . . 947 TYR H . 27529 1 265 . 1 1 65 65 TYR C C 13 172.373 0.009 . 1 . . . . . 947 TYR C . 27529 1 266 . 1 1 65 65 TYR CA C 13 59.203 0.046 . 1 . . . . . 947 TYR CA . 27529 1 267 . 1 1 65 65 TYR CB C 13 34.184 0.000 . 1 . . . . . 947 TYR CB . 27529 1 268 . 1 1 65 65 TYR N N 15 110.421 0.034 . 1 . . . . . 947 TYR N . 27529 1 269 . 1 1 66 66 LYS H H 1 7.268 0.002 . 1 . . . . . 948 LYS H . 27529 1 270 . 1 1 66 66 LYS C C 13 175.274 0.010 . 1 . . . . . 948 LYS C . 27529 1 271 . 1 1 66 66 LYS CA C 13 53.962 0.025 . 1 . . . . . 948 LYS CA . 27529 1 272 . 1 1 66 66 LYS CB C 13 33.711 0.000 . 1 . . . . . 948 LYS CB . 27529 1 273 . 1 1 66 66 LYS N N 15 115.521 0.025 . 1 . . . . . 948 LYS N . 27529 1 274 . 1 1 67 67 ILE H H 1 8.509 0.001 . 1 . . . . . 949 ILE H . 27529 1 275 . 1 1 67 67 ILE C C 13 176.347 0.012 . 1 . . . . . 949 ILE C . 27529 1 276 . 1 1 67 67 ILE CA C 13 61.637 0.050 . 1 . . . . . 949 ILE CA . 27529 1 277 . 1 1 67 67 ILE CB C 13 37.491 0.000 . 1 . . . . . 949 ILE CB . 27529 1 278 . 1 1 67 67 ILE N N 15 122.186 0.019 . 1 . . . . . 949 ILE N . 27529 1 279 . 1 1 68 68 ILE H H 1 9.007 0.003 . 1 . . . . . 950 ILE H . 27529 1 280 . 1 1 68 68 ILE C C 13 176.622 0.015 . 1 . . . . . 950 ILE C . 27529 1 281 . 1 1 68 68 ILE CA C 13 59.894 0.001 . 1 . . . . . 950 ILE CA . 27529 1 282 . 1 1 68 68 ILE CB C 13 37.905 0.000 . 1 . . . . . 950 ILE CB . 27529 1 283 . 1 1 68 68 ILE N N 15 125.102 0.029 . 1 . . . . . 950 ILE N . 27529 1 284 . 1 1 69 69 GLY H H 1 7.297 0.002 . 1 . . . . . 951 GLY H . 27529 1 285 . 1 1 69 69 GLY C C 13 170.294 0.011 . 1 . . . . . 951 GLY C . 27529 1 286 . 1 1 69 69 GLY CA C 13 45.217 0.028 . 1 . . . . . 951 GLY CA . 27529 1 287 . 1 1 69 69 GLY N N 15 108.464 0.028 . 1 . . . . . 951 GLY N . 27529 1 288 . 1 1 70 70 VAL H H 1 8.210 0.001 . 1 . . . . . 952 VAL H . 27529 1 289 . 1 1 70 70 VAL C C 13 176.770 0.013 . 1 . . . . . 952 VAL C . 27529 1 290 . 1 1 70 70 VAL CA C 13 60.861 0.001 . 1 . . . . . 952 VAL CA . 27529 1 291 . 1 1 70 70 VAL CB C 13 32.123 0.000 . 1 . . . . . 952 VAL CB . 27529 1 292 . 1 1 70 70 VAL N N 15 122.669 0.033 . 1 . . . . . 952 VAL N . 27529 1 293 . 1 1 71 71 HIS H H 1 8.728 0.002 . 1 . . . . . 953 HIS H . 27529 1 294 . 1 1 71 71 HIS C C 13 174.180 0.016 . 1 . . . . . 953 HIS C . 27529 1 295 . 1 1 71 71 HIS CA C 13 56.259 0.036 . 1 . . . . . 953 HIS CA . 27529 1 296 . 1 1 71 71 HIS CB C 13 30.044 0.000 . 1 . . . . . 953 HIS CB . 27529 1 297 . 1 1 71 71 HIS N N 15 125.264 0.024 . 1 . . . . . 953 HIS N . 27529 1 298 . 1 1 72 72 GLN H H 1 8.930 0.002 . 1 . . . . . 954 GLN H . 27529 1 299 . 1 1 72 72 GLN C C 13 177.482 0.014 . 1 . . . . . 954 GLN C . 27529 1 300 . 1 1 72 72 GLN CA C 13 54.879 0.022 . 1 . . . . . 954 GLN CA . 27529 1 301 . 1 1 72 72 GLN CB C 13 29.101 0.000 . 1 . . . . . 954 GLN CB . 27529 1 302 . 1 1 72 72 GLN N N 15 123.365 0.022 . 1 . . . . . 954 GLN N . 27529 1 303 . 1 1 73 73 GLU H H 1 8.823 0.002 . 1 . . . . . 955 GLU H . 27529 1 304 . 1 1 73 73 GLU C C 13 176.224 0.009 . 1 . . . . . 955 GLU C . 27529 1 305 . 1 1 73 73 GLU CA C 13 59.581 0.026 . 1 . . . . . 955 GLU CA . 27529 1 306 . 1 1 73 73 GLU CB C 13 29.207 0.000 . 1 . . . . . 955 GLU CB . 27529 1 307 . 1 1 73 73 GLU N N 15 118.460 0.020 . 1 . . . . . 955 GLU N . 27529 1 308 . 1 1 74 74 ASP H H 1 8.243 0.001 . 1 . . . . . 956 ASP H . 27529 1 309 . 1 1 74 74 ASP C C 13 176.395 0.026 . 1 . . . . . 956 ASP C . 27529 1 310 . 1 1 74 74 ASP CA C 13 53.417 0.040 . 1 . . . . . 956 ASP CA . 27529 1 311 . 1 1 74 74 ASP CB C 13 39.802 0.000 . 1 . . . . . 956 ASP CB . 27529 1 312 . 1 1 74 74 ASP N N 15 114.077 0.029 . 1 . . . . . 956 ASP N . 27529 1 313 . 1 1 75 75 GLU H H 1 7.405 0.002 . 1 . . . . . 957 GLU H . 27529 1 314 . 1 1 75 75 GLU CA C 13 56.388 0.025 . 1 . . . . . 957 GLU CA . 27529 1 315 . 1 1 75 75 GLU CB C 13 29.557 0.000 . 1 . . . . . 957 GLU CB . 27529 1 316 . 1 1 75 75 GLU N N 15 121.797 0.026 . 1 . . . . . 957 GLU N . 27529 1 317 . 1 1 76 76 LEU H H 1 8.662 0.001 . 1 . . . . . 958 LEU H . 27529 1 318 . 1 1 76 76 LEU C C 13 178.467 0.011 . 1 . . . . . 958 LEU C . 27529 1 319 . 1 1 76 76 LEU CA C 13 54.941 0.026 . 1 . . . . . 958 LEU CA . 27529 1 320 . 1 1 76 76 LEU CB C 13 40.956 0.000 . 1 . . . . . 958 LEU CB . 27529 1 321 . 1 1 76 76 LEU N N 15 124.084 0.015 . 1 . . . . . 958 LEU N . 27529 1 322 . 1 1 77 77 LEU H H 1 8.506 0.002 . 1 . . . . . 959 LEU H . 27529 1 323 . 1 1 77 77 LEU C C 13 179.987 0.008 . 1 . . . . . 959 LEU C . 27529 1 324 . 1 1 77 77 LEU CA C 13 56.700 0.029 . 1 . . . . . 959 LEU CA . 27529 1 325 . 1 1 77 77 LEU CB C 13 39.550 0.000 . 1 . . . . . 959 LEU CB . 27529 1 326 . 1 1 77 77 LEU N N 15 121.997 0.039 . 1 . . . . . 959 LEU N . 27529 1 327 . 1 1 78 78 GLU H H 1 8.586 0.002 . 1 . . . . . 960 GLU H . 27529 1 328 . 1 1 78 78 GLU C C 13 176.921 0.009 . 1 . . . . . 960 GLU C . 27529 1 329 . 1 1 78 78 GLU CA C 13 57.591 0.062 . 1 . . . . . 960 GLU CA . 27529 1 330 . 1 1 78 78 GLU CB C 13 29.013 0.000 . 1 . . . . . 960 GLU CB . 27529 1 331 . 1 1 78 78 GLU N N 15 117.443 0.026 . 1 . . . . . 960 GLU N . 27529 1 332 . 1 1 79 79 CYS H H 1 7.436 0.003 . 1 . . . . . 961 CYS H . 27529 1 333 . 1 1 79 79 CYS C C 13 174.732 0.021 . 1 . . . . . 961 CYS C . 27529 1 334 . 1 1 79 79 CYS CA C 13 59.095 0.053 . 1 . . . . . 961 CYS CA . 27529 1 335 . 1 1 79 79 CYS CB C 13 27.406 0.000 . 1 . . . . . 961 CYS CB . 27529 1 336 . 1 1 79 79 CYS N N 15 116.103 0.026 . 1 . . . . . 961 CYS N . 27529 1 337 . 1 1 80 80 LEU H H 1 7.596 0.002 . 1 . . . . . 962 LEU H . 27529 1 338 . 1 1 80 80 LEU C C 13 176.717 0.029 . 1 . . . . . 962 LEU C . 27529 1 339 . 1 1 80 80 LEU CA C 13 53.839 0.013 . 1 . . . . . 962 LEU CA . 27529 1 340 . 1 1 80 80 LEU CB C 13 40.005 0.000 . 1 . . . . . 962 LEU CB . 27529 1 341 . 1 1 80 80 LEU N N 15 121.639 0.023 . 1 . . . . . 962 LEU N . 27529 1 342 . 1 1 81 81 SER H H 1 8.903 0.003 . 1 . . . . . 963 SER H . 27529 1 343 . 1 1 81 81 SER C C 13 172.370 0.000 . 1 . . . . . 963 SER C . 27529 1 344 . 1 1 81 81 SER CA C 13 55.879 0.000 . 1 . . . . . 963 SER CA . 27529 1 345 . 1 1 81 81 SER N N 15 119.350 0.047 . 1 . . . . . 963 SER N . 27529 1 346 . 1 1 95 95 LEU H H 1 8.813 0.003 . 1 . . . . . 977 LEU H . 27529 1 347 . 1 1 95 95 LEU C C 13 178.612 0.010 . 1 . . . . . 977 LEU C . 27529 1 348 . 1 1 95 95 LEU CA C 13 58.021 0.000 . 1 . . . . . 977 LEU CA . 27529 1 349 . 1 1 95 95 LEU CB C 13 41.252 0.000 . 1 . . . . . 977 LEU CB . 27529 1 350 . 1 1 95 95 LEU N N 15 122.614 0.018 . 1 . . . . . 977 LEU N . 27529 1 351 . 1 1 96 96 ASP H H 1 8.369 0.003 . 1 . . . . . 978 ASP H . 27529 1 352 . 1 1 96 96 ASP C C 13 175.430 0.007 . 1 . . . . . 978 ASP C . 27529 1 353 . 1 1 96 96 ASP CA C 13 54.938 0.017 . 1 . . . . . 978 ASP CA . 27529 1 354 . 1 1 96 96 ASP CB C 13 39.594 0.000 . 1 . . . . . 978 ASP CB . 27529 1 355 . 1 1 96 96 ASP N N 15 114.079 0.027 . 1 . . . . . 978 ASP N . 27529 1 356 . 1 1 97 97 GLN H H 1 7.751 0.002 . 1 . . . . . 979 GLN H . 27529 1 357 . 1 1 97 97 GLN C C 13 174.912 0.011 . 1 . . . . . 979 GLN C . 27529 1 358 . 1 1 97 97 GLN CA C 13 54.464 0.011 . 1 . . . . . 979 GLN CA . 27529 1 359 . 1 1 97 97 GLN CB C 13 27.779 0.000 . 1 . . . . . 979 GLN CB . 27529 1 360 . 1 1 97 97 GLN N N 15 115.739 0.044 . 1 . . . . . 979 GLN N . 27529 1 361 . 1 1 98 98 VAL H H 1 6.940 0.002 . 1 . . . . . 980 VAL H . 27529 1 362 . 1 1 98 98 VAL C C 13 175.612 0.018 . 1 . . . . . 980 VAL C . 27529 1 363 . 1 1 98 98 VAL CA C 13 64.605 0.100 . 1 . . . . . 980 VAL CA . 27529 1 364 . 1 1 98 98 VAL CB C 13 31.579 0.000 . 1 . . . . . 980 VAL CB . 27529 1 365 . 1 1 98 98 VAL N N 15 120.393 0.028 . 1 . . . . . 980 VAL N . 27529 1 366 . 1 1 99 99 ASP H H 1 8.393 0.001 . 1 . . . . . 981 ASP H . 27529 1 367 . 1 1 99 99 ASP C C 13 174.701 0.010 . 1 . . . . . 981 ASP C . 27529 1 368 . 1 1 99 99 ASP CA C 13 53.060 0.006 . 1 . . . . . 981 ASP CA . 27529 1 369 . 1 1 99 99 ASP CB C 13 40.613 0.000 . 1 . . . . . 981 ASP CB . 27529 1 370 . 1 1 99 99 ASP N N 15 122.218 0.047 . 1 . . . . . 981 ASP N . 27529 1 371 . 1 1 100 100 ILE H H 1 7.703 0.002 . 1 . . . . . 982 ILE H . 27529 1 372 . 1 1 100 100 ILE C C 13 175.515 0.012 . 1 . . . . . 982 ILE C . 27529 1 373 . 1 1 100 100 ILE CA C 13 60.119 0.040 . 1 . . . . . 982 ILE CA . 27529 1 374 . 1 1 100 100 ILE CB C 13 37.537 0.000 . 1 . . . . . 982 ILE CB . 27529 1 375 . 1 1 100 100 ILE N N 15 116.970 0.021 . 1 . . . . . 982 ILE N . 27529 1 376 . 1 1 101 101 ASP H H 1 8.836 0.002 . 1 . . . . . 983 ASP H . 27529 1 377 . 1 1 101 101 ASP C C 13 176.698 0.011 . 1 . . . . . 983 ASP C . 27529 1 378 . 1 1 101 101 ASP CA C 13 52.894 0.022 . 1 . . . . . 983 ASP CA . 27529 1 379 . 1 1 101 101 ASP CB C 13 40.401 0.000 . 1 . . . . . 983 ASP CB . 27529 1 380 . 1 1 101 101 ASP N N 15 123.835 0.019 . 1 . . . . . 983 ASP N . 27529 1 381 . 1 1 102 102 LYS H H 1 8.406 0.002 . 1 . . . . . 984 LYS H . 27529 1 382 . 1 1 102 102 LYS C C 13 177.576 0.012 . 1 . . . . . 984 LYS C . 27529 1 383 . 1 1 102 102 LYS CA C 13 57.967 0.011 . 1 . . . . . 984 LYS CA . 27529 1 384 . 1 1 102 102 LYS CB C 13 31.192 0.000 . 1 . . . . . 984 LYS CB . 27529 1 385 . 1 1 102 102 LYS N N 15 124.932 0.025 . 1 . . . . . 984 LYS N . 27529 1 386 . 1 1 103 103 GLU H H 1 8.090 0.002 . 1 . . . . . 985 GLU H . 27529 1 387 . 1 1 103 103 GLU C C 13 177.369 0.027 . 1 . . . . . 985 GLU C . 27529 1 388 . 1 1 103 103 GLU CA C 13 57.356 0.043 . 1 . . . . . 985 GLU CA . 27529 1 389 . 1 1 103 103 GLU CB C 13 29.774 0.000 . 1 . . . . . 985 GLU CB . 27529 1 390 . 1 1 103 103 GLU N N 15 116.643 0.031 . 1 . . . . . 985 GLU N . 27529 1 391 . 1 1 104 104 ASN H H 1 7.443 0.003 . 1 . . . . . 986 ASN H . 27529 1 392 . 1 1 104 104 ASN C C 13 173.016 0.022 . 1 . . . . . 986 ASN C . 27529 1 393 . 1 1 104 104 ASN CA C 13 52.870 0.023 . 1 . . . . . 986 ASN CA . 27529 1 394 . 1 1 104 104 ASN CB C 13 41.252 0.000 . 1 . . . . . 986 ASN CB . 27529 1 395 . 1 1 104 104 ASN N N 15 112.955 0.021 . 1 . . . . . 986 ASN N . 27529 1 396 . 1 1 105 105 GLU H H 1 8.068 0.004 . 1 . . . . . 987 GLU H . 27529 1 397 . 1 1 105 105 GLU C C 13 173.957 0.026 . 1 . . . . . 987 GLU C . 27529 1 398 . 1 1 105 105 GLU CA C 13 53.911 0.030 . 1 . . . . . 987 GLU CA . 27529 1 399 . 1 1 105 105 GLU CB C 13 34.006 0.000 . 1 . . . . . 987 GLU CB . 27529 1 400 . 1 1 105 105 GLU N N 15 118.721 0.021 . 1 . . . . . 987 GLU N . 27529 1 401 . 1 1 106 106 MET H H 1 8.055 0.003 . 1 . . . . . 988 MET H . 27529 1 402 . 1 1 106 106 MET C C 13 173.306 0.008 . 1 . . . . . 988 MET C . 27529 1 403 . 1 1 106 106 MET CA C 13 54.168 0.036 . 1 . . . . . 988 MET CA . 27529 1 404 . 1 1 106 106 MET CB C 13 36.840 0.000 . 1 . . . . . 988 MET CB . 27529 1 405 . 1 1 106 106 MET N N 15 114.317 0.023 . 1 . . . . . 988 MET N . 27529 1 406 . 1 1 107 107 LEU H H 1 8.475 0.002 . 1 . . . . . 989 LEU H . 27529 1 407 . 1 1 107 107 LEU C C 13 176.082 0.000 . 1 . . . . . 989 LEU C . 27529 1 408 . 1 1 107 107 LEU CA C 13 52.667 0.041 . 1 . . . . . 989 LEU CA . 27529 1 409 . 1 1 107 107 LEU CB C 13 40.608 0.000 . 1 . . . . . 989 LEU CB . 27529 1 410 . 1 1 107 107 LEU N N 15 119.515 0.034 . 1 . . . . . 989 LEU N . 27529 1 411 . 1 1 109 109 THR H H 1 8.433 0.003 . 1 . . . . . 991 THR H . 27529 1 412 . 1 1 109 109 THR C C 13 172.906 0.000 . 1 . . . . . 991 THR C . 27529 1 413 . 1 1 109 109 THR CA C 13 60.529 0.048 . 1 . . . . . 991 THR CA . 27529 1 414 . 1 1 109 109 THR CB C 13 69.181 0.000 . 1 . . . . . 991 THR CB . 27529 1 415 . 1 1 109 109 THR N N 15 114.821 0.022 . 1 . . . . . 991 THR N . 27529 1 416 . 1 1 112 112 HIS H H 1 8.947 0.004 . 1 . . . . . 994 HIS H . 27529 1 417 . 1 1 112 112 HIS CA C 13 54.064 0.038 . 1 . . . . . 994 HIS CA . 27529 1 418 . 1 1 112 112 HIS CB C 13 29.288 0.000 . 1 . . . . . 994 HIS CB . 27529 1 419 . 1 1 112 112 HIS N N 15 121.858 0.027 . 1 . . . . . 994 HIS N . 27529 1 420 . 1 1 113 113 PHE H H 1 9.014 0.002 . 1 . . . . . 995 PHE H . 27529 1 421 . 1 1 113 113 PHE C C 13 171.109 0.012 . 1 . . . . . 995 PHE C . 27529 1 422 . 1 1 113 113 PHE CA C 13 55.663 0.015 . 1 . . . . . 995 PHE CA . 27529 1 423 . 1 1 113 113 PHE CB C 13 40.304 0.000 . 1 . . . . . 995 PHE CB . 27529 1 424 . 1 1 113 113 PHE N N 15 117.909 0.022 . 1 . . . . . 995 PHE N . 27529 1 425 . 1 1 114 114 HIS H H 1 7.452 0.006 . 1 . . . . . 996 HIS H . 27529 1 426 . 1 1 114 114 HIS C C 13 176.594 0.024 . 1 . . . . . 996 HIS C . 27529 1 427 . 1 1 114 114 HIS CA C 13 53.953 0.047 . 1 . . . . . 996 HIS CA . 27529 1 428 . 1 1 114 114 HIS N N 15 116.839 0.035 . 1 . . . . . 996 HIS N . 27529 1 429 . 1 1 115 115 LYS H H 1 9.026 0.002 . 1 . . . . . 997 LYS H . 27529 1 430 . 1 1 115 115 LYS CA C 13 62.065 0.092 . 1 . . . . . 997 LYS CA . 27529 1 431 . 1 1 115 115 LYS CB C 13 30.767 0.000 . 1 . . . . . 997 LYS CB . 27529 1 432 . 1 1 115 115 LYS N N 15 125.826 0.037 . 1 . . . . . 997 LYS N . 27529 1 433 . 1 1 116 116 GLU H H 1 9.043 0.002 . 1 . . . . . 998 GLU H . 27529 1 434 . 1 1 116 116 GLU C C 13 177.867 0.016 . 1 . . . . . 998 GLU C . 27529 1 435 . 1 1 116 116 GLU CA C 13 53.464 0.005 . 1 . . . . . 998 GLU CA . 27529 1 436 . 1 1 116 116 GLU CB C 13 30.849 0.000 . 1 . . . . . 998 GLU CB . 27529 1 437 . 1 1 116 116 GLU N N 15 121.271 0.029 . 1 . . . . . 998 GLU N . 27529 1 438 . 1 1 117 117 VAL H H 1 8.143 0.001 . 1 . . . . . 999 VAL H . 27529 1 439 . 1 1 117 117 VAL C C 13 175.662 0.000 . 1 . . . . . 999 VAL C . 27529 1 440 . 1 1 117 117 VAL CA C 13 63.509 0.026 . 1 . . . . . 999 VAL CA . 27529 1 441 . 1 1 117 117 VAL CB C 13 30.854 0.000 . 1 . . . . . 999 VAL CB . 27529 1 442 . 1 1 117 117 VAL N N 15 118.610 0.037 . 1 . . . . . 999 VAL N . 27529 1 443 . 1 1 119 119 GLY H H 1 8.317 0.004 . 1 . . . . . 1001 GLY H . 27529 1 444 . 1 1 119 119 GLY C C 13 176.721 0.017 . 1 . . . . . 1001 GLY C . 27529 1 445 . 1 1 119 119 GLY CA C 13 46.758 0.019 . 1 . . . . . 1001 GLY CA . 27529 1 446 . 1 1 119 119 GLY N N 15 114.824 0.020 . 1 . . . . . 1001 GLY N . 27529 1 447 . 1 1 120 120 THR H H 1 7.508 0.002 . 1 . . . . . 1002 THR H . 27529 1 448 . 1 1 120 120 THR C C 13 174.852 0.007 . 1 . . . . . 1002 THR C . 27529 1 449 . 1 1 120 120 THR CA C 13 59.879 0.003 . 1 . . . . . 1002 THR CA . 27529 1 450 . 1 1 120 120 THR CB C 13 70.529 0.000 . 1 . . . . . 1002 THR CB . 27529 1 451 . 1 1 120 120 THR N N 15 111.878 0.026 . 1 . . . . . 1002 THR N . 27529 1 452 . 1 1 121 121 PHE H H 1 7.722 0.002 . 1 . . . . . 1003 PHE H . 27529 1 453 . 1 1 121 121 PHE C C 13 173.571 0.010 . 1 . . . . . 1003 PHE C . 27529 1 454 . 1 1 121 121 PHE CA C 13 55.482 0.012 . 1 . . . . . 1003 PHE CA . 27529 1 455 . 1 1 121 121 PHE CB C 13 39.464 0.000 . 1 . . . . . 1003 PHE CB . 27529 1 456 . 1 1 121 121 PHE N N 15 115.352 0.022 . 1 . . . . . 1003 PHE N . 27529 1 457 . 1 1 122 122 GLY H H 1 8.225 0.002 . 1 . . . . . 1004 GLY H . 27529 1 458 . 1 1 122 122 GLY C C 13 173.019 0.012 . 1 . . . . . 1004 GLY C . 27529 1 459 . 1 1 122 122 GLY CA C 13 44.971 0.016 . 1 . . . . . 1004 GLY CA . 27529 1 460 . 1 1 122 122 GLY N N 15 107.385 0.021 . 1 . . . . . 1004 GLY N . 27529 1 461 . 1 1 123 123 ILE H H 1 7.846 0.002 . 1 . . . . . 1005 ILE H . 27529 1 462 . 1 1 123 123 ILE C C 13 174.324 0.000 . 1 . . . . . 1005 ILE C . 27529 1 463 . 1 1 123 123 ILE CA C 13 58.155 0.018 . 1 . . . . . 1005 ILE CA . 27529 1 464 . 1 1 123 123 ILE CB C 13 44.944 0.008 . 1 . . . . . 1005 ILE CB . 27529 1 465 . 1 1 123 123 ILE N N 15 121.143 0.025 . 1 . . . . . 1005 ILE N . 27529 1 466 . 1 1 130 130 HIS H H 1 9.024 0.001 . 1 . . . . . 1012 HIS H . 27529 1 467 . 1 1 130 130 HIS C C 13 173.678 0.015 . 1 . . . . . 1012 HIS C . 27529 1 468 . 1 1 130 130 HIS CA C 13 53.285 0.029 . 1 . . . . . 1012 HIS CA . 27529 1 469 . 1 1 130 130 HIS CB C 13 32.083 0.000 . 1 . . . . . 1012 HIS CB . 27529 1 470 . 1 1 130 130 HIS N N 15 122.674 0.022 . 1 . . . . . 1012 HIS N . 27529 1 471 . 1 1 131 131 GLN H H 1 8.738 0.002 . 1 . . . . . 1013 GLN H . 27529 1 472 . 1 1 131 131 GLN C C 13 177.189 0.012 . 1 . . . . . 1013 GLN C . 27529 1 473 . 1 1 131 131 GLN CA C 13 57.315 0.033 . 1 . . . . . 1013 GLN CA . 27529 1 474 . 1 1 131 131 GLN CB C 13 27.545 0.000 . 1 . . . . . 1013 GLN CB . 27529 1 475 . 1 1 131 131 GLN N N 15 127.676 0.018 . 1 . . . . . 1013 GLN N . 27529 1 476 . 1 1 132 132 GLY H H 1 9.327 0.003 . 1 . . . . . 1014 GLY H . 27529 1 477 . 1 1 132 132 GLY C C 13 173.672 0.000 . 1 . . . . . 1014 GLY C . 27529 1 478 . 1 1 132 132 GLY CA C 13 44.925 0.012 . 1 . . . . . 1014 GLY CA . 27529 1 479 . 1 1 132 132 GLY N N 15 117.663 0.035 . 1 . . . . . 1014 GLY N . 27529 1 480 . 1 1 133 133 GLU H H 1 7.805 0.002 . 1 . . . . . 1015 GLU H . 27529 1 481 . 1 1 133 133 GLU C C 13 175.005 0.010 . 1 . . . . . 1015 GLU C . 27529 1 482 . 1 1 133 133 GLU CA C 13 54.876 0.030 . 1 . . . . . 1015 GLU CA . 27529 1 483 . 1 1 133 133 GLU CB C 13 29.449 0.000 . 1 . . . . . 1015 GLU CB . 27529 1 484 . 1 1 133 133 GLU N N 15 120.896 0.017 . 1 . . . . . 1015 GLU N . 27529 1 485 . 1 1 134 134 HIS H H 1 9.057 0.002 . 1 . . . . . 1016 HIS H . 27529 1 486 . 1 1 134 134 HIS CA C 13 58.505 0.011 . 1 . . . . . 1016 HIS CA . 27529 1 487 . 1 1 134 134 HIS CB C 13 30.018 0.000 . 1 . . . . . 1016 HIS CB . 27529 1 488 . 1 1 134 134 HIS N N 15 124.096 0.020 . 1 . . . . . 1016 HIS N . 27529 1 489 . 1 1 135 135 PHE H H 1 8.818 0.002 . 1 . . . . . 1017 PHE H . 27529 1 490 . 1 1 135 135 PHE CA C 13 62.719 0.009 . 1 . . . . . 1017 PHE CA . 27529 1 491 . 1 1 135 135 PHE CB C 13 38.358 0.000 . 1 . . . . . 1017 PHE CB . 27529 1 492 . 1 1 135 135 PHE N N 15 128.995 0.033 . 1 . . . . . 1017 PHE N . 27529 1 493 . 1 1 136 136 ARG CA C 13 59.120 0.057 . 1 . . . . . 1018 ARG CA . 27529 1 494 . 1 1 137 137 GLU H H 1 8.111 0.002 . 1 . . . . . 1019 GLU H . 27529 1 495 . 1 1 137 137 GLU C C 13 179.580 0.033 . 1 . . . . . 1019 GLU C . 27529 1 496 . 1 1 137 137 GLU CA C 13 57.895 0.012 . 1 . . . . . 1019 GLU CA . 27529 1 497 . 1 1 137 137 GLU CB C 13 28.298 0.000 . 1 . . . . . 1019 GLU CB . 27529 1 498 . 1 1 137 137 GLU N N 15 118.520 0.010 . 1 . . . . . 1019 GLU N . 27529 1 499 . 1 1 138 138 VAL H H 1 6.845 0.002 . 1 . . . . . 1020 VAL H . 27529 1 500 . 1 1 138 138 VAL C C 13 178.290 0.000 . 1 . . . . . 1020 VAL C . 27529 1 501 . 1 1 138 138 VAL CA C 13 65.182 0.020 . 1 . . . . . 1020 VAL CA . 27529 1 502 . 1 1 138 138 VAL N N 15 122.447 0.031 . 1 . . . . . 1020 VAL N . 27529 1 503 . 1 1 143 143 GLN H H 1 8.289 0.002 . 1 . . . . . 1025 GLN H . 27529 1 504 . 1 1 143 143 GLN C C 13 178.306 0.014 . 1 . . . . . 1025 GLN C . 27529 1 505 . 1 1 143 143 GLN CA C 13 59.205 0.058 . 1 . . . . . 1025 GLN CA . 27529 1 506 . 1 1 143 143 GLN CB C 13 26.397 0.000 . 1 . . . . . 1025 GLN CB . 27529 1 507 . 1 1 143 143 GLN N N 15 119.710 0.023 . 1 . . . . . 1025 GLN N . 27529 1 508 . 1 1 144 144 SER H H 1 7.580 0.003 . 1 . . . . . 1026 SER H . 27529 1 509 . 1 1 144 144 SER C C 13 176.056 0.017 . 1 . . . . . 1026 SER C . 27529 1 510 . 1 1 144 144 SER CA C 13 60.208 0.036 . 1 . . . . . 1026 SER CA . 27529 1 511 . 1 1 144 144 SER CB C 13 62.331 0.000 . 1 . . . . . 1026 SER CB . 27529 1 512 . 1 1 144 144 SER N N 15 111.306 0.031 . 1 . . . . . 1026 SER N . 27529 1 513 . 1 1 145 145 LEU H H 1 7.377 0.007 . 1 . . . . . 1027 LEU H . 27529 1 514 . 1 1 145 145 LEU C C 13 177.567 0.017 . 1 . . . . . 1027 LEU C . 27529 1 515 . 1 1 145 145 LEU CA C 13 56.884 0.010 . 1 . . . . . 1027 LEU CA . 27529 1 516 . 1 1 145 145 LEU CB C 13 41.432 0.000 . 1 . . . . . 1027 LEU CB . 27529 1 517 . 1 1 145 145 LEU N N 15 123.505 0.029 . 1 . . . . . 1027 LEU N . 27529 1 518 . 1 1 146 146 LEU H H 1 7.376 0.004 . 1 . . . . . 1028 LEU H . 27529 1 519 . 1 1 146 146 LEU C C 13 176.591 0.023 . 1 . . . . . 1028 LEU C . 27529 1 520 . 1 1 146 146 LEU CA C 13 54.464 0.010 . 1 . . . . . 1028 LEU CA . 27529 1 521 . 1 1 146 146 LEU CB C 13 41.499 0.000 . 1 . . . . . 1028 LEU CB . 27529 1 522 . 1 1 146 146 LEU N N 15 114.267 0.034 . 1 . . . . . 1028 LEU N . 27529 1 523 . 1 1 147 147 ASP H H 1 7.731 0.002 . 1 . . . . . 1029 ASP H . 27529 1 524 . 1 1 147 147 ASP C C 13 174.599 0.008 . 1 . . . . . 1029 ASP C . 27529 1 525 . 1 1 147 147 ASP CA C 13 54.146 0.016 . 1 . . . . . 1029 ASP CA . 27529 1 526 . 1 1 147 147 ASP CB C 13 38.852 0.000 . 1 . . . . . 1029 ASP CB . 27529 1 527 . 1 1 147 147 ASP N N 15 120.160 0.020 . 1 . . . . . 1029 ASP N . 27529 1 528 . 1 1 148 148 ILE H H 1 7.097 0.002 . 1 . . . . . 1030 ILE H . 27529 1 529 . 1 1 148 148 ILE C C 13 176.132 0.010 . 1 . . . . . 1030 ILE C . 27529 1 530 . 1 1 148 148 ILE CA C 13 59.104 0.043 . 1 . . . . . 1030 ILE CA . 27529 1 531 . 1 1 148 148 ILE CB C 13 38.906 0.000 . 1 . . . . . 1030 ILE CB . 27529 1 532 . 1 1 148 148 ILE N N 15 116.736 0.020 . 1 . . . . . 1030 ILE N . 27529 1 533 . 1 1 149 149 GLN H H 1 8.781 0.002 . 1 . . . . . 1031 GLN H . 27529 1 534 . 1 1 149 149 GLN C C 13 177.663 0.027 . 1 . . . . . 1031 GLN C . 27529 1 535 . 1 1 149 149 GLN CA C 13 55.845 0.012 . 1 . . . . . 1031 GLN CA . 27529 1 536 . 1 1 149 149 GLN CB C 13 28.308 0.000 . 1 . . . . . 1031 GLN CB . 27529 1 537 . 1 1 149 149 GLN N N 15 126.456 0.026 . 1 . . . . . 1031 GLN N . 27529 1 538 . 1 1 150 150 GLU H H 1 8.953 0.002 . 1 . . . . . 1032 GLU H . 27529 1 539 . 1 1 150 150 GLU C C 13 178.007 0.005 . 1 . . . . . 1032 GLU C . 27529 1 540 . 1 1 150 150 GLU CA C 13 60.330 0.068 . 1 . . . . . 1032 GLU CA . 27529 1 541 . 1 1 150 150 GLU CB C 13 28.252 0.000 . 1 . . . . . 1032 GLU CB . 27529 1 542 . 1 1 150 150 GLU N N 15 124.981 0.027 . 1 . . . . . 1032 GLU N . 27529 1 543 . 1 1 151 151 LYS H H 1 8.562 0.002 . 1 . . . . . 1033 LYS H . 27529 1 544 . 1 1 151 151 LYS C C 13 178.654 0.016 . 1 . . . . . 1033 LYS C . 27529 1 545 . 1 1 151 151 LYS CA C 13 58.087 0.005 . 1 . . . . . 1033 LYS CA . 27529 1 546 . 1 1 151 151 LYS CB C 13 30.690 0.000 . 1 . . . . . 1033 LYS CB . 27529 1 547 . 1 1 151 151 LYS N N 15 116.303 0.017 . 1 . . . . . 1033 LYS N . 27529 1 548 . 1 1 152 152 GLU H H 1 7.150 0.002 . 1 . . . . . 1034 GLU H . 27529 1 549 . 1 1 152 152 GLU C C 13 179.170 0.013 . 1 . . . . . 1034 GLU C . 27529 1 550 . 1 1 152 152 GLU CA C 13 57.719 0.069 . 1 . . . . . 1034 GLU CA . 27529 1 551 . 1 1 152 152 GLU CB C 13 29.205 0.000 . 1 . . . . . 1034 GLU CB . 27529 1 552 . 1 1 152 152 GLU N N 15 117.553 0.034 . 1 . . . . . 1034 GLU N . 27529 1 553 . 1 1 153 153 PHE H H 1 8.321 0.001 . 1 . . . . . 1035 PHE H . 27529 1 554 . 1 1 153 153 PHE C C 13 177.929 0.012 . 1 . . . . . 1035 PHE C . 27529 1 555 . 1 1 153 153 PHE CA C 13 59.099 0.073 . 1 . . . . . 1035 PHE CA . 27529 1 556 . 1 1 153 153 PHE CB C 13 38.038 0.000 . 1 . . . . . 1035 PHE CB . 27529 1 557 . 1 1 153 153 PHE N N 15 121.629 0.026 . 1 . . . . . 1035 PHE N . 27529 1 558 . 1 1 154 154 GLU H H 1 8.122 0.001 . 1 . . . . . 1036 GLU H . 27529 1 559 . 1 1 154 154 GLU C C 13 176.446 0.033 . 1 . . . . . 1036 GLU C . 27529 1 560 . 1 1 154 154 GLU CA C 13 57.594 0.038 . 1 . . . . . 1036 GLU CA . 27529 1 561 . 1 1 154 154 GLU CB C 13 28.749 0.000 . 1 . . . . . 1036 GLU CB . 27529 1 562 . 1 1 154 154 GLU N N 15 116.793 0.023 . 1 . . . . . 1036 GLU N . 27529 1 563 . 1 1 155 155 LYS H H 1 7.119 0.002 . 1 . . . . . 1037 LYS H . 27529 1 564 . 1 1 155 155 LYS C C 13 177.214 0.012 . 1 . . . . . 1037 LYS C . 27529 1 565 . 1 1 155 155 LYS CA C 13 55.260 0.019 . 1 . . . . . 1037 LYS CA . 27529 1 566 . 1 1 155 155 LYS CB C 13 31.788 0.000 . 1 . . . . . 1037 LYS CB . 27529 1 567 . 1 1 155 155 LYS N N 15 114.971 0.039 . 1 . . . . . 1037 LYS N . 27529 1 568 . 1 1 156 156 PHE H H 1 7.844 0.004 . 1 . . . . . 1038 PHE H . 27529 1 569 . 1 1 156 156 PHE C C 13 175.134 0.020 . 1 . . . . . 1038 PHE C . 27529 1 570 . 1 1 156 156 PHE CA C 13 57.624 0.011 . 1 . . . . . 1038 PHE CA . 27529 1 571 . 1 1 156 156 PHE CB C 13 38.140 0.000 . 1 . . . . . 1038 PHE CB . 27529 1 572 . 1 1 156 156 PHE N N 15 122.445 0.038 . 1 . . . . . 1038 PHE N . 27529 1 573 . 1 1 157 157 LYS H H 1 7.844 0.002 . 1 . . . . . 1039 LYS H . 27529 1 574 . 1 1 157 157 LYS C C 13 174.320 0.011 . 1 . . . . . 1039 LYS C . 27529 1 575 . 1 1 157 157 LYS CA C 13 54.291 0.009 . 1 . . . . . 1039 LYS CA . 27529 1 576 . 1 1 157 157 LYS CB C 13 34.873 0.000 . 1 . . . . . 1039 LYS CB . 27529 1 577 . 1 1 157 157 LYS N N 15 118.026 0.014 . 1 . . . . . 1039 LYS N . 27529 1 578 . 1 1 158 158 PHE H H 1 9.326 0.003 . 1 . . . . . 1040 PHE H . 27529 1 579 . 1 1 158 158 PHE C C 13 174.303 0.000 . 1 . . . . . 1040 PHE C . 27529 1 580 . 1 1 158 158 PHE CA C 13 56.345 0.009 . 1 . . . . . 1040 PHE CA . 27529 1 581 . 1 1 158 158 PHE CB C 13 42.469 0.000 . 1 . . . . . 1040 PHE CB . 27529 1 582 . 1 1 158 158 PHE N N 15 118.734 0.021 . 1 . . . . . 1040 PHE N . 27529 1 583 . 1 1 159 159 ALA H H 1 9.450 0.003 . 1 . . . . . 1041 ALA H . 27529 1 584 . 1 1 159 159 ALA CA C 13 49.658 0.000 . 1 . . . . . 1041 ALA CA . 27529 1 585 . 1 1 159 159 ALA N N 15 124.822 0.054 . 1 . . . . . 1041 ALA N . 27529 1 586 . 1 1 160 160 ILE H H 1 8.309 0.002 . 1 . . . . . 1042 ILE H . 27529 1 587 . 1 1 160 160 ILE C C 13 175.340 0.000 . 1 . . . . . 1042 ILE C . 27529 1 588 . 1 1 160 160 ILE CA C 13 61.487 0.065 . 1 . . . . . 1042 ILE CA . 27529 1 589 . 1 1 160 160 ILE N N 15 121.178 0.030 . 1 . . . . . 1042 ILE N . 27529 1 590 . 1 1 162 162 MET H H 1 8.068 0.003 . 1 . . . . . 1044 MET H . 27529 1 591 . 1 1 162 162 MET C C 13 174.971 0.012 . 1 . . . . . 1044 MET C . 27529 1 592 . 1 1 162 162 MET CA C 13 53.869 0.018 . 1 . . . . . 1044 MET CA . 27529 1 593 . 1 1 162 162 MET N N 15 124.588 0.024 . 1 . . . . . 1044 MET N . 27529 1 594 . 1 1 163 163 MET H H 1 9.055 0.002 . 1 . . . . . 1045 MET H . 27529 1 595 . 1 1 163 163 MET C C 13 176.139 0.008 . 1 . . . . . 1045 MET C . 27529 1 596 . 1 1 163 163 MET CA C 13 56.285 0.032 . 1 . . . . . 1045 MET CA . 27529 1 597 . 1 1 163 163 MET CB C 13 29.705 0.000 . 1 . . . . . 1045 MET CB . 27529 1 598 . 1 1 163 163 MET N N 15 123.344 0.015 . 1 . . . . . 1045 MET N . 27529 1 599 . 1 1 164 164 GLY H H 1 8.421 0.001 . 1 . . . . . 1046 GLY H . 27529 1 600 . 1 1 164 164 GLY C C 13 173.153 0.016 . 1 . . . . . 1046 GLY C . 27529 1 601 . 1 1 164 164 GLY CA C 13 45.183 0.028 . 1 . . . . . 1046 GLY CA . 27529 1 602 . 1 1 164 164 GLY N N 15 108.661 0.034 . 1 . . . . . 1046 GLY N . 27529 1 603 . 1 1 165 165 ARG H H 1 7.567 0.003 . 1 . . . . . 1047 ARG H . 27529 1 604 . 1 1 165 165 ARG C C 13 173.432 0.010 . 1 . . . . . 1047 ARG C . 27529 1 605 . 1 1 165 165 ARG CA C 13 54.502 0.012 . 1 . . . . . 1047 ARG CA . 27529 1 606 . 1 1 165 165 ARG CB C 13 31.350 0.000 . 1 . . . . . 1047 ARG CB . 27529 1 607 . 1 1 165 165 ARG N N 15 119.981 0.024 . 1 . . . . . 1047 ARG N . 27529 1 608 . 1 1 166 166 HIS H H 1 7.990 0.003 . 1 . . . . . 1048 HIS H . 27529 1 609 . 1 1 166 166 HIS C C 13 173.194 0.024 . 1 . . . . . 1048 HIS C . 27529 1 610 . 1 1 166 166 HIS CA C 13 54.039 0.005 . 1 . . . . . 1048 HIS CA . 27529 1 611 . 1 1 166 166 HIS CB C 13 33.443 0.000 . 1 . . . . . 1048 HIS CB . 27529 1 612 . 1 1 166 166 HIS N N 15 118.013 0.022 . 1 . . . . . 1048 HIS N . 27529 1 613 . 1 1 167 167 GLN H H 1 8.092 0.002 . 1 . . . . . 1049 GLN H . 27529 1 614 . 1 1 167 167 GLN C C 13 175.322 0.000 . 1 . . . . . 1049 GLN C . 27529 1 615 . 1 1 167 167 GLN CA C 13 53.331 0.021 . 1 . . . . . 1049 GLN CA . 27529 1 616 . 1 1 167 167 GLN CB C 13 30.831 0.000 . 1 . . . . . 1049 GLN CB . 27529 1 617 . 1 1 167 167 GLN N N 15 120.721 0.027 . 1 . . . . . 1049 GLN N . 27529 1 618 . 1 1 168 168 TYR H H 1 8.924 0.001 . 1 . . . . . 1050 TYR H . 27529 1 619 . 1 1 168 168 TYR C C 13 176.370 0.034 . 1 . . . . . 1050 TYR C . 27529 1 620 . 1 1 168 168 TYR CA C 13 60.031 0.015 . 1 . . . . . 1050 TYR CA . 27529 1 621 . 1 1 168 168 TYR CB C 13 37.693 0.000 . 1 . . . . . 1050 TYR CB . 27529 1 622 . 1 1 168 168 TYR N N 15 124.844 0.031 . 1 . . . . . 1050 TYR N . 27529 1 623 . 1 1 169 169 ILE H H 1 8.881 0.002 . 1 . . . . . 1051 ILE H . 27529 1 624 . 1 1 169 169 ILE C C 13 175.521 0.006 . 1 . . . . . 1051 ILE C . 27529 1 625 . 1 1 169 169 ILE CA C 13 59.970 0.000 . 1 . . . . . 1051 ILE CA . 27529 1 626 . 1 1 169 169 ILE CB C 13 39.509 0.000 . 1 . . . . . 1051 ILE CB . 27529 1 627 . 1 1 169 169 ILE N N 15 124.776 0.029 . 1 . . . . . 1051 ILE N . 27529 1 628 . 1 1 170 170 ASN C C 13 175.027 0.013 . 1 . . . . . 1052 ASN C . 27529 1 629 . 1 1 170 170 ASN CA C 13 52.169 0.011 . 1 . . . . . 1052 ASN CA . 27529 1 630 . 1 1 170 170 ASN CB C 13 36.542 0.000 . 1 . . . . . 1052 ASN CB . 27529 1 631 . 1 1 170 170 ASN N N 15 125.156 0.037 . 1 . . . . . 1052 ASN N . 27529 1 632 . 1 1 171 171 GLU H H 1 9.838 0.002 . 1 . . . . . 1053 GLU H . 27529 1 633 . 1 1 171 171 GLU C C 13 175.570 0.003 . 1 . . . . . 1053 GLU C . 27529 1 634 . 1 1 171 171 GLU CA C 13 59.223 0.026 . 1 . . . . . 1053 GLU CA . 27529 1 635 . 1 1 171 171 GLU CB C 13 28.516 0.000 . 1 . . . . . 1053 GLU CB . 27529 1 636 . 1 1 171 171 GLU N N 15 128.110 0.026 . 1 . . . . . 1053 GLU N . 27529 1 637 . 1 1 172 172 ASP H H 1 7.896 0.003 . 1 . . . . . 1054 ASP H . 27529 1 638 . 1 1 172 172 ASP C C 13 177.366 0.025 . 1 . . . . . 1054 ASP C . 27529 1 639 . 1 1 172 172 ASP CA C 13 55.383 0.024 . 1 . . . . . 1054 ASP CA . 27529 1 640 . 1 1 172 172 ASP CB C 13 41.554 0.000 . 1 . . . . . 1054 ASP CB . 27529 1 641 . 1 1 172 172 ASP N N 15 113.695 0.021 . 1 . . . . . 1054 ASP N . 27529 1 642 . 1 1 173 173 GLU H H 1 7.448 0.002 . 1 . . . . . 1055 GLU H . 27529 1 643 . 1 1 173 173 GLU CA C 13 55.859 0.005 . 1 . . . . . 1055 GLU CA . 27529 1 644 . 1 1 173 173 GLU CB C 13 32.755 0.000 . 1 . . . . . 1055 GLU CB . 27529 1 645 . 1 1 173 173 GLU N N 15 117.516 0.032 . 1 . . . . . 1055 GLU N . 27529 1 646 . 1 1 174 174 TYR H H 1 8.054 0.003 . 1 . . . . . 1056 TYR H . 27529 1 647 . 1 1 174 174 TYR C C 13 173.307 0.010 . 1 . . . . . 1056 TYR C . 27529 1 648 . 1 1 174 174 TYR CA C 13 59.600 0.042 . 1 . . . . . 1056 TYR CA . 27529 1 649 . 1 1 174 174 TYR CB C 13 38.077 0.000 . 1 . . . . . 1056 TYR CB . 27529 1 650 . 1 1 174 174 TYR N N 15 121.260 0.031 . 1 . . . . . 1056 TYR N . 27529 1 651 . 1 1 175 175 GLU H H 1 6.945 0.001 . 1 . . . . . 1057 GLU H . 27529 1 652 . 1 1 175 175 GLU C C 13 174.568 0.028 . 1 . . . . . 1057 GLU C . 27529 1 653 . 1 1 175 175 GLU CA C 13 52.921 0.024 . 1 . . . . . 1057 GLU CA . 27529 1 654 . 1 1 175 175 GLU CB C 13 30.422 0.000 . 1 . . . . . 1057 GLU CB . 27529 1 655 . 1 1 175 175 GLU N N 15 126.936 0.022 . 1 . . . . . 1057 GLU N . 27529 1 656 . 1 1 176 176 VAL H H 1 8.682 0.002 . 1 . . . . . 1058 VAL H . 27529 1 657 . 1 1 176 176 VAL C C 13 176.222 0.010 . 1 . . . . . 1058 VAL C . 27529 1 658 . 1 1 176 176 VAL CA C 13 64.865 0.048 . 1 . . . . . 1058 VAL CA . 27529 1 659 . 1 1 176 176 VAL CB C 13 30.639 0.000 . 1 . . . . . 1058 VAL CB . 27529 1 660 . 1 1 176 176 VAL N N 15 120.378 0.022 . 1 . . . . . 1058 VAL N . 27529 1 661 . 1 1 177 177 ASN C C 13 176.784 0.013 . 1 . . . . . 1059 ASN C . 27529 1 662 . 1 1 177 177 ASN CA C 13 50.359 0.031 . 1 . . . . . 1059 ASN CA . 27529 1 663 . 1 1 177 177 ASN CB C 13 38.708 0.000 . 1 . . . . . 1059 ASN CB . 27529 1 664 . 1 1 177 177 ASN N N 15 128.190 0.027 . 1 . . . . . 1059 ASN N . 27529 1 665 . 1 1 178 178 LEU H H 1 9.477 0.003 . 1 . . . . . 1060 LEU H . 27529 1 666 . 1 1 178 178 LEU C C 13 179.283 0.013 . 1 . . . . . 1060 LEU C . 27529 1 667 . 1 1 178 178 LEU CA C 13 58.127 0.012 . 1 . . . . . 1060 LEU CA . 27529 1 668 . 1 1 178 178 LEU CB C 13 38.853 0.000 . 1 . . . . . 1060 LEU CB . 27529 1 669 . 1 1 178 178 LEU N N 15 125.905 0.029 . 1 . . . . . 1060 LEU N . 27529 1 670 . 1 1 179 179 LYS H H 1 7.843 0.004 . 1 . . . . . 1061 LYS H . 27529 1 671 . 1 1 179 179 LYS C C 13 178.806 0.024 . 1 . . . . . 1061 LYS C . 27529 1 672 . 1 1 179 179 LYS CA C 13 58.116 0.094 . 1 . . . . . 1061 LYS CA . 27529 1 673 . 1 1 179 179 LYS CB C 13 30.892 0.000 . 1 . . . . . 1061 LYS CB . 27529 1 674 . 1 1 179 179 LYS N N 15 115.961 0.027 . 1 . . . . . 1061 LYS N . 27529 1 675 . 1 1 180 180 ASP H H 1 7.881 0.002 . 1 . . . . . 1062 ASP H . 27529 1 676 . 1 1 180 180 ASP C C 13 175.393 0.025 . 1 . . . . . 1062 ASP C . 27529 1 677 . 1 1 180 180 ASP CA C 13 55.953 0.014 . 1 . . . . . 1062 ASP CA . 27529 1 678 . 1 1 180 180 ASP CB C 13 39.420 0.000 . 1 . . . . . 1062 ASP CB . 27529 1 679 . 1 1 180 180 ASP N N 15 118.503 0.024 . 1 . . . . . 1062 ASP N . 27529 1 680 . 1 1 181 181 PHE H H 1 7.581 0.008 . 1 . . . . . 1063 PHE H . 27529 1 681 . 1 1 181 181 PHE C C 13 174.453 0.017 . 1 . . . . . 1063 PHE C . 27529 1 682 . 1 1 181 181 PHE CA C 13 56.778 0.010 . 1 . . . . . 1063 PHE CA . 27529 1 683 . 1 1 181 181 PHE N N 15 113.864 0.030 . 1 . . . . . 1063 PHE N . 27529 1 684 . 1 1 182 182 GLU H H 1 7.120 0.002 . 1 . . . . . 1064 GLU H . 27529 1 685 . 1 1 182 182 GLU C C 13 173.849 0.010 . 1 . . . . . 1064 GLU C . 27529 1 686 . 1 1 182 182 GLU CA C 13 53.846 0.024 . 1 . . . . . 1064 GLU CA . 27529 1 687 . 1 1 182 182 GLU CB C 13 29.718 0.000 . 1 . . . . . 1064 GLU CB . 27529 1 688 . 1 1 182 182 GLU N N 15 121.487 0.031 . 1 . . . . . 1064 GLU N . 27529 1 689 . 1 1 186 186 GLY H H 1 8.480 0.003 . 1 . . . . . 1068 GLY H . 27529 1 690 . 1 1 186 186 GLY C C 13 173.982 0.011 . 1 . . . . . 1068 GLY C . 27529 1 691 . 1 1 186 186 GLY CA C 13 44.988 0.000 . 1 . . . . . 1068 GLY CA . 27529 1 692 . 1 1 186 186 GLY N N 15 109.312 0.008 . 1 . . . . . 1068 GLY N . 27529 1 693 . 1 1 187 187 ASN H H 1 7.978 0.002 . 1 . . . . . 1069 ASN H . 27529 1 694 . 1 1 187 187 ASN C C 13 175.778 0.000 . 1 . . . . . 1069 ASN C . 27529 1 695 . 1 1 187 187 ASN CA C 13 52.629 0.031 . 1 . . . . . 1069 ASN CA . 27529 1 696 . 1 1 187 187 ASN CB C 13 38.441 0.000 . 1 . . . . . 1069 ASN CB . 27529 1 697 . 1 1 187 187 ASN N N 15 119.116 0.027 . 1 . . . . . 1069 ASN N . 27529 1 698 . 1 1 194 194 TRP H H 1 8.436 0.003 . 1 . . . . . 1076 TRP H . 27529 1 699 . 1 1 194 194 TRP C C 13 173.087 0.003 . 1 . . . . . 1076 TRP C . 27529 1 700 . 1 1 194 194 TRP CA C 13 53.399 0.022 . 1 . . . . . 1076 TRP CA . 27529 1 701 . 1 1 194 194 TRP CB C 13 30.946 0.000 . 1 . . . . . 1076 TRP CB . 27529 1 702 . 1 1 194 194 TRP N N 15 118.548 0.026 . 1 . . . . . 1076 TRP N . 27529 1 703 . 1 1 195 195 LEU H H 1 8.800 0.002 . 1 . . . . . 1077 LEU H . 27529 1 704 . 1 1 195 195 LEU C C 13 174.122 0.024 . 1 . . . . . 1077 LEU C . 27529 1 705 . 1 1 195 195 LEU CA C 13 53.378 0.026 . 1 . . . . . 1077 LEU CA . 27529 1 706 . 1 1 195 195 LEU CB C 13 43.151 0.000 . 1 . . . . . 1077 LEU CB . 27529 1 707 . 1 1 195 195 LEU N N 15 121.967 0.035 . 1 . . . . . 1077 LEU N . 27529 1 708 . 1 1 196 196 GLY H H 1 9.924 0.003 . 1 . . . . . 1078 GLY H . 27529 1 709 . 1 1 196 196 GLY C C 13 171.995 0.010 . 1 . . . . . 1078 GLY C . 27529 1 710 . 1 1 196 196 GLY N N 15 114.634 0.023 . 1 . . . . . 1078 GLY N . 27529 1 711 . 1 1 197 197 LEU H H 1 8.939 0.001 . 1 . . . . . 1079 LEU H . 27529 1 712 . 1 1 197 197 LEU C C 13 173.403 0.013 . 1 . . . . . 1079 LEU C . 27529 1 713 . 1 1 197 197 LEU CA C 13 51.857 0.029 . 1 . . . . . 1079 LEU CA . 27529 1 714 . 1 1 197 197 LEU N N 15 125.020 0.012 . 1 . . . . . 1079 LEU N . 27529 1 715 . 1 1 198 198 ASP H H 1 8.326 0.002 . 1 . . . . . 1080 ASP H . 27529 1 716 . 1 1 198 198 ASP C C 13 177.668 0.011 . 1 . . . . . 1080 ASP C . 27529 1 717 . 1 1 198 198 ASP CA C 13 50.825 0.031 . 1 . . . . . 1080 ASP CA . 27529 1 718 . 1 1 198 198 ASP CB C 13 41.197 0.000 . 1 . . . . . 1080 ASP CB . 27529 1 719 . 1 1 198 198 ASP N N 15 125.229 0.018 . 1 . . . . . 1080 ASP N . 27529 1 720 . 1 1 199 199 HIS H H 1 9.007 0.004 . 1 . . . . . 1081 HIS H . 27529 1 721 . 1 1 199 199 HIS C C 13 171.278 0.004 . 1 . . . . . 1081 HIS C . 27529 1 722 . 1 1 199 199 HIS CA C 13 53.973 0.035 . 1 . . . . . 1081 HIS CA . 27529 1 723 . 1 1 199 199 HIS CB C 13 28.484 0.000 . 1 . . . . . 1081 HIS CB . 27529 1 724 . 1 1 199 199 HIS N N 15 122.066 0.022 . 1 . . . . . 1081 HIS N . 27529 1 725 . 1 1 200 200 PHE H H 1 7.829 0.001 . 1 . . . . . 1082 PHE H . 27529 1 726 . 1 1 200 200 PHE C C 13 175.067 0.019 . 1 . . . . . 1082 PHE C . 27529 1 727 . 1 1 200 200 PHE CA C 13 57.458 0.021 . 1 . . . . . 1082 PHE CA . 27529 1 728 . 1 1 200 200 PHE CB C 13 39.150 0.000 . 1 . . . . . 1082 PHE CB . 27529 1 729 . 1 1 200 200 PHE N N 15 116.598 0.021 . 1 . . . . . 1082 PHE N . 27529 1 730 . 1 1 201 201 ASN H H 1 7.061 0.002 . 1 . . . . . 1083 ASN H . 27529 1 731 . 1 1 201 201 ASN C C 13 173.706 0.012 . 1 . . . . . 1083 ASN C . 27529 1 732 . 1 1 201 201 ASN CA C 13 51.422 0.051 . 1 . . . . . 1083 ASN CA . 27529 1 733 . 1 1 201 201 ASN CB C 13 35.979 0.000 . 1 . . . . . 1083 ASN CB . 27529 1 734 . 1 1 201 201 ASN N N 15 122.567 0.026 . 1 . . . . . 1083 ASN N . 27529 1 735 . 1 1 202 202 LYS H H 1 7.639 0.004 . 1 . . . . . 1084 LYS H . 27529 1 736 . 1 1 202 202 LYS C C 13 175.521 0.013 . 1 . . . . . 1084 LYS C . 27529 1 737 . 1 1 202 202 LYS CA C 13 55.501 0.011 . 1 . . . . . 1084 LYS CA . 27529 1 738 . 1 1 202 202 LYS CB C 13 31.999 0.000 . 1 . . . . . 1084 LYS CB . 27529 1 739 . 1 1 202 202 LYS N N 15 124.477 0.026 . 1 . . . . . 1084 LYS N . 27529 1 740 . 1 1 203 203 ALA H H 1 7.816 0.001 . 1 . . . . . 1085 ALA H . 27529 1 741 . 1 1 203 203 ALA C C 13 174.831 0.113 . 1 . . . . . 1085 ALA C . 27529 1 742 . 1 1 203 203 ALA CA C 13 50.179 0.047 . 1 . . . . . 1085 ALA CA . 27529 1 743 . 1 1 203 203 ALA CB C 13 17.354 0.000 . 1 . . . . . 1085 ALA CB . 27529 1 744 . 1 1 203 203 ALA N N 15 126.306 0.026 . 1 . . . . . 1085 ALA N . 27529 1 745 . 1 1 206 206 ARG H H 1 8.267 0.002 . 1 . . . . . 1088 ARG H . 27529 1 746 . 1 1 206 206 ARG C C 13 174.280 0.000 . 1 . . . . . 1088 ARG C . 27529 1 747 . 1 1 206 206 ARG CA C 13 53.677 0.017 . 1 . . . . . 1088 ARG CA . 27529 1 748 . 1 1 206 206 ARG CB C 13 31.807 0.000 . 1 . . . . . 1088 ARG CB . 27529 1 749 . 1 1 206 206 ARG N N 15 121.031 0.028 . 1 . . . . . 1088 ARG N . 27529 1 750 . 1 1 207 207 SER H H 1 8.266 0.001 . 1 . . . . . 1089 SER H . 27529 1 751 . 1 1 207 207 SER C C 13 174.395 0.000 . 1 . . . . . 1089 SER C . 27529 1 752 . 1 1 207 207 SER CA C 13 57.184 0.005 . 1 . . . . . 1089 SER CA . 27529 1 753 . 1 1 207 207 SER CB C 13 63.446 0.000 . 1 . . . . . 1089 SER CB . 27529 1 754 . 1 1 207 207 SER N N 15 116.626 0.022 . 1 . . . . . 1089 SER N . 27529 1 755 . 1 1 210 210 THR H H 1 7.968 0.001 . 1 . . . . . 1092 THR H . 27529 1 756 . 1 1 210 210 THR C C 13 174.049 0.008 . 1 . . . . . 1092 THR C . 27529 1 757 . 1 1 210 210 THR CA C 13 61.623 0.045 . 1 . . . . . 1092 THR CA . 27529 1 758 . 1 1 210 210 THR CB C 13 69.210 0.000 . 1 . . . . . 1092 THR CB . 27529 1 759 . 1 1 210 210 THR N N 15 116.491 0.021 . 1 . . . . . 1092 THR N . 27529 1 760 . 1 1 211 211 TYR H H 1 8.041 0.002 . 1 . . . . . 1093 TYR H . 27529 1 761 . 1 1 211 211 TYR C C 13 175.456 0.008 . 1 . . . . . 1093 TYR C . 27529 1 762 . 1 1 211 211 TYR CA C 13 57.743 0.028 . 1 . . . . . 1093 TYR CA . 27529 1 763 . 1 1 211 211 TYR CB C 13 37.721 0.000 . 1 . . . . . 1093 TYR CB . 27529 1 764 . 1 1 211 211 TYR N N 15 122.645 0.022 . 1 . . . . . 1093 TYR N . 27529 1 765 . 1 1 212 212 LEU H H 1 7.887 0.002 . 1 . . . . . 1094 LEU H . 27529 1 766 . 1 1 212 212 LEU C C 13 176.957 0.011 . 1 . . . . . 1094 LEU C . 27529 1 767 . 1 1 212 212 LEU CA C 13 54.661 0.014 . 1 . . . . . 1094 LEU CA . 27529 1 768 . 1 1 212 212 LEU CB C 13 41.461 0.000 . 1 . . . . . 1094 LEU CB . 27529 1 769 . 1 1 212 212 LEU N N 15 124.211 0.029 . 1 . . . . . 1094 LEU N . 27529 1 770 . 1 1 213 213 GLU H H 1 8.133 0.001 . 1 . . . . . 1095 GLU H . 27529 1 771 . 1 1 213 213 GLU C C 13 176.451 0.012 . 1 . . . . . 1095 GLU C . 27529 1 772 . 1 1 213 213 GLU CA C 13 55.214 0.007 . 1 . . . . . 1095 GLU CA . 27529 1 773 . 1 1 213 213 GLU N N 15 122.218 0.036 . 1 . . . . . 1095 GLU N . 27529 1 774 . 1 1 214 214 LYS H H 1 8.129 0.001 . 1 . . . . . 1096 LYS H . 27529 1 775 . 1 1 214 214 LYS C C 13 176.202 0.035 . 1 . . . . . 1096 LYS C . 27529 1 776 . 1 1 214 214 LYS CA C 13 55.827 0.012 . 1 . . . . . 1096 LYS CA . 27529 1 777 . 1 1 214 214 LYS CB C 13 32.139 0.000 . 1 . . . . . 1096 LYS CB . 27529 1 778 . 1 1 214 214 LYS N N 15 122.276 0.032 . 1 . . . . . 1096 LYS N . 27529 1 779 . 1 1 215 215 ALA H H 1 8.138 0.003 . 1 . . . . . 1097 ALA H . 27529 1 780 . 1 1 215 215 ALA C C 13 177.499 0.009 . 1 . . . . . 1097 ALA C . 27529 1 781 . 1 1 215 215 ALA CA C 13 52.014 0.003 . 1 . . . . . 1097 ALA CA . 27529 1 782 . 1 1 215 215 ALA CB C 13 18.307 0.000 . 1 . . . . . 1097 ALA CB . 27529 1 783 . 1 1 215 215 ALA N N 15 125.192 0.018 . 1 . . . . . 1097 ALA N . 27529 1 784 . 1 1 216 216 ILE H H 1 7.966 0.001 . 1 . . . . . 1098 ILE H . 27529 1 785 . 1 1 216 216 ILE C C 13 176.015 0.000 . 1 . . . . . 1098 ILE C . 27529 1 786 . 1 1 216 216 ILE CA C 13 60.564 0.065 . 1 . . . . . 1098 ILE CA . 27529 1 787 . 1 1 216 216 ILE CB C 13 37.775 0.000 . 1 . . . . . 1098 ILE CB . 27529 1 788 . 1 1 216 216 ILE N N 15 120.761 0.043 . 1 . . . . . 1098 ILE N . 27529 1 789 . 1 1 217 217 LYS H H 1 8.246 0.001 . 1 . . . . . 1099 LYS H . 27529 1 790 . 1 1 217 217 LYS C C 13 176.000 0.029 . 1 . . . . . 1099 LYS C . 27529 1 791 . 1 1 217 217 LYS CA C 13 55.492 0.012 . 1 . . . . . 1099 LYS CA . 27529 1 792 . 1 1 217 217 LYS CB C 13 32.113 0.000 . 1 . . . . . 1099 LYS CB . 27529 1 793 . 1 1 217 217 LYS N N 15 126.253 0.021 . 1 . . . . . 1099 LYS N . 27529 1 794 . 1 1 218 218 ILE H H 1 8.085 0.002 . 1 . . . . . 1100 ILE H . 27529 1 795 . 1 1 218 218 ILE C C 13 175.729 0.016 . 1 . . . . . 1100 ILE C . 27529 1 796 . 1 1 218 218 ILE CA C 13 60.515 0.064 . 1 . . . . . 1100 ILE CA . 27529 1 797 . 1 1 218 218 ILE CB C 13 37.778 0.000 . 1 . . . . . 1100 ILE CB . 27529 1 798 . 1 1 218 218 ILE N N 15 123.155 0.029 . 1 . . . . . 1100 ILE N . 27529 1 799 . 1 1 219 219 HIS H H 1 8.254 0.002 . 1 . . . . . 1101 HIS H . 27529 1 800 . 1 1 219 219 HIS C C 13 173.852 0.009 . 1 . . . . . 1101 HIS C . 27529 1 801 . 1 1 219 219 HIS CA C 13 55.227 0.007 . 1 . . . . . 1101 HIS CA . 27529 1 802 . 1 1 219 219 HIS CB C 13 29.923 0.000 . 1 . . . . . 1101 HIS CB . 27529 1 803 . 1 1 219 219 HIS N N 15 123.712 0.023 . 1 . . . . . 1101 HIS N . 27529 1 804 . 1 1 220 220 ASN H H 1 8.079 0.003 . 1 . . . . . 1102 ASN H . 27529 1 805 . 1 1 220 220 ASN C C 13 179.544 0.000 . 1 . . . . . 1102 ASN C . 27529 1 806 . 1 1 220 220 ASN CA C 13 54.475 0.006 . 1 . . . . . 1102 ASN CA . 27529 1 807 . 1 1 220 220 ASN CB C 13 39.629 0.000 . 1 . . . . . 1102 ASN CB . 27529 1 808 . 1 1 220 220 ASN N N 15 126.424 0.024 . 1 . . . . . 1102 ASN N . 27529 1 stop_ save_