data_27627 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27627 _Entry.Title ; Backbone Assignment Ubl45 domain of USP7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-26 _Entry.Accession_date 2018-09-26 _Entry.Last_release_date 2018-09-26 _Entry.Original_release_date 2018-09-26 _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 ; Backbone 1H, 13C and 15N Chemical Shift Assignemnt of the last 213 amino acids of USP7, containg Ubiquitin-like domains 4 and 5 as well as the very C-terminal, activating peptide tail. ; _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 Robbert Kim . Q. . . 27627 2 Hugo 'van Ingen' . . . . 27627 3 Titia Sixma . K. . . 27627 4 Paul Geurink . P. . . 27627 5 Monique Mulder . P.C. . . 27627 6 Alexander Fish . . . . 27627 7 Reggy Ekkebus . . . . 27627 8 Farid 'El Oualid' . . . . 27627 9 Willem 'van Dijk' . J. . . 27627 10 Duco 'van Dalen' . . . . 27627 11 Huib Ovaa . . . . 27627 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 27627 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27627 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 573 27627 '15N chemical shifts' 185 27627 '1H chemical shifts' 185 27627 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 2 . . 2019-01-18 2018-09-26 update BMRB 'update entry citation' 27627 1 . . 2019-01-14 2018-09-26 original author 'original release' 27627 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27627 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-018-08231-5 _Citation.PubMed_ID 30651545 _Citation.Full_citation . _Citation.Title ; Kinetic analysis of multistep USP7 mechanism shows critical role for target protein in activity. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat Commun' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 10 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _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 231 _Citation.Page_last 231 _Citation.Year 2019 _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 Robbert Kim R. Q. . . 27627 1 2 Paul Geurink P. P. . . 27627 1 3 Monique Mulder . . . . 27627 1 4 Alexander Fish A. . . . 27627 1 5 Reggy Ekkebus R. . . . 27627 1 6 Farid 'El Oualid' F. . . . 27627 1 7 Willem 'van Dijk' W. J. . . 27627 1 8 Duco 'van Dalen' D. . . . 27627 1 9 Huib Ovaa H. . . . 27627 1 10 Hugo 'van Ingen' H. . . . 27627 1 11 Titia Sixma T. K. . . 27627 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27627 _Assembly.ID 1 _Assembly.Name Ubl45 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 26584.4325 _Assembly.Enzyme_commission_number EC:3.4.19.12 _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 Ubl45 1 $Ubl45 B . yes native no no . . . 27627 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2YLM . . X-ray . . . 27627 1 yes PDB 5JTV . . X-ray . . . 27627 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ubl45 _Entity.Sf_category entity _Entity.Sf_framecode Ubl45 _Entity.Entry_ID 27627 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ubl45 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSPEFPGRLENRRSFKC IWLNSQFREEEITLYPDKHG CVRDLLEECKKAVELGEKAS GKLRLLEIVSYKIIGVHQED ELLECLSPATSRTFRIEEIP LDQVDIDKENEMLVTVAHFH KEVFGTFGIPFLLRIHQGEH FREVMKRIQSLLDIQEKEFE KFKFAIVMTGRHQYINEDEY EVNLKDFEPQPGNMSHPRPW LGLDHFNKAPKRSRYTYLEK AIKIHN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'First 12 residues represent a non-native affinity tag' _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 226 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Ubl45 domain of USP7' _Entity.Mutation . _Entity.EC_number 3.4.19.12 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26584.4325 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes . Q93009 . USP7 . . . . . . . . . . . . . . 27627 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 877 GLY . 27627 1 2 878 PRO . 27627 1 3 879 LEU . 27627 1 4 880 GLY . 27627 1 5 881 SER . 27627 1 6 882 PRO . 27627 1 7 883 GLU . 27627 1 8 884 PHE . 27627 1 9 885 PRO . 27627 1 10 886 GLY . 27627 1 11 887 ARG . 27627 1 12 888 LEU . 27627 1 13 889 GLU . 27627 1 14 890 ASN . 27627 1 15 891 ARG . 27627 1 16 892 ARG . 27627 1 17 893 SER . 27627 1 18 894 PHE . 27627 1 19 895 LYS . 27627 1 20 896 CYS . 27627 1 21 897 ILE . 27627 1 22 898 TRP . 27627 1 23 899 LEU . 27627 1 24 900 ASN . 27627 1 25 901 SER . 27627 1 26 902 GLN . 27627 1 27 903 PHE . 27627 1 28 904 ARG . 27627 1 29 905 GLU . 27627 1 30 906 GLU . 27627 1 31 907 GLU . 27627 1 32 908 ILE . 27627 1 33 909 THR . 27627 1 34 910 LEU . 27627 1 35 911 TYR . 27627 1 36 912 PRO . 27627 1 37 913 ASP . 27627 1 38 914 LYS . 27627 1 39 915 HIS . 27627 1 40 916 GLY . 27627 1 41 917 CYS . 27627 1 42 918 VAL . 27627 1 43 919 ARG . 27627 1 44 920 ASP . 27627 1 45 921 LEU . 27627 1 46 922 LEU . 27627 1 47 923 GLU . 27627 1 48 924 GLU . 27627 1 49 925 CYS . 27627 1 50 926 LYS . 27627 1 51 927 LYS . 27627 1 52 928 ALA . 27627 1 53 929 VAL . 27627 1 54 930 GLU . 27627 1 55 931 LEU . 27627 1 56 932 GLY . 27627 1 57 933 GLU . 27627 1 58 934 LYS . 27627 1 59 935 ALA . 27627 1 60 936 SER . 27627 1 61 937 GLY . 27627 1 62 938 LYS . 27627 1 63 939 LEU . 27627 1 64 940 ARG . 27627 1 65 941 LEU . 27627 1 66 942 LEU . 27627 1 67 943 GLU . 27627 1 68 944 ILE . 27627 1 69 945 VAL . 27627 1 70 946 SER . 27627 1 71 947 TYR . 27627 1 72 948 LYS . 27627 1 73 949 ILE . 27627 1 74 950 ILE . 27627 1 75 951 GLY . 27627 1 76 952 VAL . 27627 1 77 953 HIS . 27627 1 78 954 GLN . 27627 1 79 955 GLU . 27627 1 80 956 ASP . 27627 1 81 957 GLU . 27627 1 82 958 LEU . 27627 1 83 959 LEU . 27627 1 84 960 GLU . 27627 1 85 961 CYS . 27627 1 86 962 LEU . 27627 1 87 963 SER . 27627 1 88 964 PRO . 27627 1 89 965 ALA . 27627 1 90 966 THR . 27627 1 91 967 SER . 27627 1 92 968 ARG . 27627 1 93 969 THR . 27627 1 94 970 PHE . 27627 1 95 971 ARG . 27627 1 96 972 ILE . 27627 1 97 973 GLU . 27627 1 98 974 GLU . 27627 1 99 975 ILE . 27627 1 100 976 PRO . 27627 1 101 977 LEU . 27627 1 102 978 ASP . 27627 1 103 979 GLN . 27627 1 104 980 VAL . 27627 1 105 981 ASP . 27627 1 106 982 ILE . 27627 1 107 983 ASP . 27627 1 108 984 LYS . 27627 1 109 985 GLU . 27627 1 110 986 ASN . 27627 1 111 987 GLU . 27627 1 112 988 MET . 27627 1 113 989 LEU . 27627 1 114 990 VAL . 27627 1 115 991 THR . 27627 1 116 992 VAL . 27627 1 117 993 ALA . 27627 1 118 994 HIS . 27627 1 119 995 PHE . 27627 1 120 996 HIS . 27627 1 121 997 LYS . 27627 1 122 998 GLU . 27627 1 123 999 VAL . 27627 1 124 1000 PHE . 27627 1 125 1001 GLY . 27627 1 126 1002 THR . 27627 1 127 1003 PHE . 27627 1 128 1004 GLY . 27627 1 129 1005 ILE . 27627 1 130 1006 PRO . 27627 1 131 1007 PHE . 27627 1 132 1008 LEU . 27627 1 133 1009 LEU . 27627 1 134 1010 ARG . 27627 1 135 1011 ILE . 27627 1 136 1012 HIS . 27627 1 137 1013 GLN . 27627 1 138 1014 GLY . 27627 1 139 1015 GLU . 27627 1 140 1016 HIS . 27627 1 141 1017 PHE . 27627 1 142 1018 ARG . 27627 1 143 1019 GLU . 27627 1 144 1020 VAL . 27627 1 145 1021 MET . 27627 1 146 1022 LYS . 27627 1 147 1023 ARG . 27627 1 148 1024 ILE . 27627 1 149 1025 GLN . 27627 1 150 1026 SER . 27627 1 151 1027 LEU . 27627 1 152 1028 LEU . 27627 1 153 1029 ASP . 27627 1 154 1030 ILE . 27627 1 155 1031 GLN . 27627 1 156 1032 GLU . 27627 1 157 1033 LYS . 27627 1 158 1034 GLU . 27627 1 159 1035 PHE . 27627 1 160 1036 GLU . 27627 1 161 1037 LYS . 27627 1 162 1038 PHE . 27627 1 163 1039 LYS . 27627 1 164 1040 PHE . 27627 1 165 1041 ALA . 27627 1 166 1042 ILE . 27627 1 167 1043 VAL . 27627 1 168 1044 MET . 27627 1 169 1045 THR . 27627 1 170 1046 GLY . 27627 1 171 1047 ARG . 27627 1 172 1048 HIS . 27627 1 173 1049 GLN . 27627 1 174 1050 TYR . 27627 1 175 1051 ILE . 27627 1 176 1052 ASN . 27627 1 177 1053 GLU . 27627 1 178 1054 ASP . 27627 1 179 1055 GLU . 27627 1 180 1056 TYR . 27627 1 181 1057 GLU . 27627 1 182 1058 VAL . 27627 1 183 1059 ASN . 27627 1 184 1060 LEU . 27627 1 185 1061 LYS . 27627 1 186 1062 ASP . 27627 1 187 1063 PHE . 27627 1 188 1064 GLU . 27627 1 189 1065 PRO . 27627 1 190 1066 GLN . 27627 1 191 1067 PRO . 27627 1 192 1068 GLY . 27627 1 193 1069 ASN . 27627 1 194 1070 MET . 27627 1 195 1071 SER . 27627 1 196 1072 HIS . 27627 1 197 1073 PRO . 27627 1 198 1074 ARG . 27627 1 199 1075 PRO . 27627 1 200 1076 TRP . 27627 1 201 1077 LEU . 27627 1 202 1078 GLY . 27627 1 203 1079 LEU . 27627 1 204 1080 ASP . 27627 1 205 1081 HIS . 27627 1 206 1082 PHE . 27627 1 207 1083 ASN . 27627 1 208 1084 LYS . 27627 1 209 1085 ALA . 27627 1 210 1086 PRO . 27627 1 211 1087 LYS . 27627 1 212 1088 ARG . 27627 1 213 1089 SER . 27627 1 214 1090 ARG . 27627 1 215 1091 TYR . 27627 1 216 1092 THR . 27627 1 217 1093 TYR . 27627 1 218 1094 LEU . 27627 1 219 1095 GLU . 27627 1 220 1096 LYS . 27627 1 221 1097 ALA . 27627 1 222 1098 ILE . 27627 1 223 1099 LYS . 27627 1 224 1100 ILE . 27627 1 225 1101 HIS . 27627 1 226 1102 ASN . 27627 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 27627 1 . PRO 2 2 27627 1 . LEU 3 3 27627 1 . GLY 4 4 27627 1 . SER 5 5 27627 1 . PRO 6 6 27627 1 . GLU 7 7 27627 1 . PHE 8 8 27627 1 . PRO 9 9 27627 1 . GLY 10 10 27627 1 . ARG 11 11 27627 1 . LEU 12 12 27627 1 . GLU 13 13 27627 1 . ASN 14 14 27627 1 . ARG 15 15 27627 1 . ARG 16 16 27627 1 . SER 17 17 27627 1 . PHE 18 18 27627 1 . LYS 19 19 27627 1 . CYS 20 20 27627 1 . ILE 21 21 27627 1 . TRP 22 22 27627 1 . LEU 23 23 27627 1 . ASN 24 24 27627 1 . SER 25 25 27627 1 . GLN 26 26 27627 1 . PHE 27 27 27627 1 . ARG 28 28 27627 1 . GLU 29 29 27627 1 . GLU 30 30 27627 1 . GLU 31 31 27627 1 . ILE 32 32 27627 1 . THR 33 33 27627 1 . LEU 34 34 27627 1 . TYR 35 35 27627 1 . PRO 36 36 27627 1 . ASP 37 37 27627 1 . LYS 38 38 27627 1 . HIS 39 39 27627 1 . GLY 40 40 27627 1 . CYS 41 41 27627 1 . VAL 42 42 27627 1 . ARG 43 43 27627 1 . ASP 44 44 27627 1 . LEU 45 45 27627 1 . LEU 46 46 27627 1 . GLU 47 47 27627 1 . GLU 48 48 27627 1 . CYS 49 49 27627 1 . LYS 50 50 27627 1 . LYS 51 51 27627 1 . ALA 52 52 27627 1 . VAL 53 53 27627 1 . GLU 54 54 27627 1 . LEU 55 55 27627 1 . GLY 56 56 27627 1 . GLU 57 57 27627 1 . LYS 58 58 27627 1 . ALA 59 59 27627 1 . SER 60 60 27627 1 . GLY 61 61 27627 1 . LYS 62 62 27627 1 . LEU 63 63 27627 1 . ARG 64 64 27627 1 . LEU 65 65 27627 1 . LEU 66 66 27627 1 . GLU 67 67 27627 1 . ILE 68 68 27627 1 . VAL 69 69 27627 1 . SER 70 70 27627 1 . TYR 71 71 27627 1 . LYS 72 72 27627 1 . ILE 73 73 27627 1 . ILE 74 74 27627 1 . GLY 75 75 27627 1 . VAL 76 76 27627 1 . HIS 77 77 27627 1 . GLN 78 78 27627 1 . GLU 79 79 27627 1 . ASP 80 80 27627 1 . GLU 81 81 27627 1 . LEU 82 82 27627 1 . LEU 83 83 27627 1 . GLU 84 84 27627 1 . CYS 85 85 27627 1 . LEU 86 86 27627 1 . SER 87 87 27627 1 . PRO 88 88 27627 1 . ALA 89 89 27627 1 . THR 90 90 27627 1 . SER 91 91 27627 1 . ARG 92 92 27627 1 . THR 93 93 27627 1 . PHE 94 94 27627 1 . ARG 95 95 27627 1 . ILE 96 96 27627 1 . GLU 97 97 27627 1 . GLU 98 98 27627 1 . ILE 99 99 27627 1 . PRO 100 100 27627 1 . LEU 101 101 27627 1 . ASP 102 102 27627 1 . GLN 103 103 27627 1 . VAL 104 104 27627 1 . ASP 105 105 27627 1 . ILE 106 106 27627 1 . ASP 107 107 27627 1 . LYS 108 108 27627 1 . GLU 109 109 27627 1 . ASN 110 110 27627 1 . GLU 111 111 27627 1 . MET 112 112 27627 1 . LEU 113 113 27627 1 . VAL 114 114 27627 1 . THR 115 115 27627 1 . VAL 116 116 27627 1 . ALA 117 117 27627 1 . HIS 118 118 27627 1 . PHE 119 119 27627 1 . HIS 120 120 27627 1 . LYS 121 121 27627 1 . GLU 122 122 27627 1 . VAL 123 123 27627 1 . PHE 124 124 27627 1 . GLY 125 125 27627 1 . THR 126 126 27627 1 . PHE 127 127 27627 1 . GLY 128 128 27627 1 . ILE 129 129 27627 1 . PRO 130 130 27627 1 . PHE 131 131 27627 1 . LEU 132 132 27627 1 . LEU 133 133 27627 1 . ARG 134 134 27627 1 . ILE 135 135 27627 1 . HIS 136 136 27627 1 . GLN 137 137 27627 1 . GLY 138 138 27627 1 . GLU 139 139 27627 1 . HIS 140 140 27627 1 . PHE 141 141 27627 1 . ARG 142 142 27627 1 . GLU 143 143 27627 1 . VAL 144 144 27627 1 . MET 145 145 27627 1 . LYS 146 146 27627 1 . ARG 147 147 27627 1 . ILE 148 148 27627 1 . GLN 149 149 27627 1 . SER 150 150 27627 1 . LEU 151 151 27627 1 . LEU 152 152 27627 1 . ASP 153 153 27627 1 . ILE 154 154 27627 1 . GLN 155 155 27627 1 . GLU 156 156 27627 1 . LYS 157 157 27627 1 . GLU 158 158 27627 1 . PHE 159 159 27627 1 . GLU 160 160 27627 1 . LYS 161 161 27627 1 . PHE 162 162 27627 1 . LYS 163 163 27627 1 . PHE 164 164 27627 1 . ALA 165 165 27627 1 . ILE 166 166 27627 1 . VAL 167 167 27627 1 . MET 168 168 27627 1 . THR 169 169 27627 1 . GLY 170 170 27627 1 . ARG 171 171 27627 1 . HIS 172 172 27627 1 . GLN 173 173 27627 1 . TYR 174 174 27627 1 . ILE 175 175 27627 1 . ASN 176 176 27627 1 . GLU 177 177 27627 1 . ASP 178 178 27627 1 . GLU 179 179 27627 1 . TYR 180 180 27627 1 . GLU 181 181 27627 1 . VAL 182 182 27627 1 . ASN 183 183 27627 1 . LEU 184 184 27627 1 . LYS 185 185 27627 1 . ASP 186 186 27627 1 . PHE 187 187 27627 1 . GLU 188 188 27627 1 . PRO 189 189 27627 1 . GLN 190 190 27627 1 . PRO 191 191 27627 1 . GLY 192 192 27627 1 . ASN 193 193 27627 1 . MET 194 194 27627 1 . SER 195 195 27627 1 . HIS 196 196 27627 1 . PRO 197 197 27627 1 . ARG 198 198 27627 1 . PRO 199 199 27627 1 . TRP 200 200 27627 1 . LEU 201 201 27627 1 . GLY 202 202 27627 1 . LEU 203 203 27627 1 . ASP 204 204 27627 1 . HIS 205 205 27627 1 . PHE 206 206 27627 1 . ASN 207 207 27627 1 . LYS 208 208 27627 1 . ALA 209 209 27627 1 . PRO 210 210 27627 1 . LYS 211 211 27627 1 . ARG 212 212 27627 1 . SER 213 213 27627 1 . ARG 214 214 27627 1 . TYR 215 215 27627 1 . THR 216 216 27627 1 . TYR 217 217 27627 1 . LEU 218 218 27627 1 . GLU 219 219 27627 1 . LYS 220 220 27627 1 . ALA 221 221 27627 1 . ILE 222 222 27627 1 . LYS 223 223 27627 1 . ILE 224 224 27627 1 . HIS 225 225 27627 1 . ASN 226 226 27627 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 27627 _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 $Ubl45 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27627 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 27627 _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 $Ubl45 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 (DE3)' . . . . . pGEX6p-1 . . . 27627 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27627 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ubl45 '[U-13C; U-15N; U-2H]' . . 1 $Ubl45 . . 180 . . uM . . . . 27627 1 2 HEPES 'natural abundance' . . . . . . 50 . . mM . . . . 27627 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27627 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27627 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 27627 _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' 0.1 . M 27627 1 pH 7.5 . pH 27627 1 pressure 1 . atm 27627 1 temperature 298 . K 27627 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 27627 _Software.ID 1 _Software.Type . _Software.Name CcpNmr_Analysis _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 27627 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27627 1 collection 27627 1 stop_ save_ save_Biospin _Software.Sf_category software _Software.Sf_framecode Biospin _Software.Entry_ID 27627 _Software.ID 2 _Software.Type . _Software.Name Biospin _Software.Version 2.4 _Software.DOI . _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27627 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27627 2 collection 27627 2 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 27627 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Bruker Avance III HD spectrometer' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 27627 _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 Bruker Avance . 850 . . . 27627 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 27627 _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/HMQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27627 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27627 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27627 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27627 1 5 'HNcoCB_2 (H[N[co[{CA|ca[C]}]]])' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27627 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27627 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 27627 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27627 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27627 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27627 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 27627 _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/HMQC' . . isotropic 27627 1 2 '3D HNCA' . . isotropic 27627 1 3 '3D HNCACB' . . isotropic 27627 1 4 '3D HN(CO)CA' . . isotropic 27627 1 5 'HNcoCB_2 (H[N[co[{CA|ca[C]}]]])' . . isotropic 27627 1 6 '3D HNCO' . . isotropic 27627 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 27627 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 PRO C C 13 177.084 . . 1 . . 819 . . 878 PRO C . 27627 1 2 . 1 1 2 2 PRO CA C 13 62.707 0.002 . 1 . . 454 . . 878 PRO CA . 27627 1 3 . 1 1 2 2 PRO CB C 13 31.493 0.013 . 1 . . 456 . . 878 PRO CB . 27627 1 4 . 1 1 3 3 LEU H H 1 8.379 0.003 . 1 . . 71 . . 879 LEU H . 27627 1 5 . 1 1 3 3 LEU C C 13 177.979 . . 1 . . 299 . . 879 LEU C . 27627 1 6 . 1 1 3 3 LEU CA C 13 55.063 0.009 . 1 . . 455 . . 879 LEU CA . 27627 1 7 . 1 1 3 3 LEU CB C 13 41.238 0.017 . 1 . . 457 . . 879 LEU CB . 27627 1 8 . 1 1 3 3 LEU N N 15 122.633 0.012 . 1 . . 72 . . 879 LEU N . 27627 1 9 . 1 1 4 4 GLY H H 1 8.267 0.002 . 1 . . 234 . . 880 GLY H . 27627 1 10 . 1 1 4 4 GLY C C 13 173.862 . . 1 . . 746 . . 880 GLY C . 27627 1 11 . 1 1 4 4 GLY CA C 13 44.666 0.005 . 1 . . 591 . . 880 GLY CA . 27627 1 12 . 1 1 4 4 GLY N N 15 110.122 0.017 . 1 . . 235 . . 880 GLY N . 27627 1 13 . 1 1 5 5 SER H H 1 8.003 0.003 . 1 . . 134 . . 881 SER H . 27627 1 14 . 1 1 5 5 SER CA C 13 56.113 . . 1 . . 592 . . 881 SER CA . 27627 1 15 . 1 1 5 5 SER CB C 13 62.502 . . 1 . . 593 . . 881 SER CB . 27627 1 16 . 1 1 5 5 SER N N 15 117.282 0.014 . 1 . . 590 . . 881 SER N . 27627 1 17 . 1 1 9 9 PRO C C 13 177.511 . . 1 . . 1003 . . 885 PRO C . 27627 1 18 . 1 1 9 9 PRO CA C 13 63.23 . . 1 . . 954 . . 885 PRO CA . 27627 1 19 . 1 1 9 9 PRO CB C 13 31.026 0 . 1 . . 953 . . 885 PRO CB . 27627 1 20 . 1 1 10 10 GLY H H 1 7.937 0.004 . 1 . . 948 . . 886 GLY H . 27627 1 21 . 1 1 10 10 GLY C C 13 174.263 . . 1 . . 961 . . 886 GLY C . 27627 1 22 . 1 1 10 10 GLY CA C 13 44.959 0.001 . 1 . . 614 . . 886 GLY CA . 27627 1 23 . 1 1 10 10 GLY N N 15 108.705 0.004 . 1 . . 949 . . 886 GLY N . 27627 1 24 . 1 1 11 11 ARG H H 1 7.897 0.003 . 1 . . 611 . . 887 ARG H . 27627 1 25 . 1 1 11 11 ARG C C 13 176.691 . . 1 . . 962 . . 887 ARG C . 27627 1 26 . 1 1 11 11 ARG CA C 13 56.078 0.005 . 1 . . 615 . . 887 ARG CA . 27627 1 27 . 1 1 11 11 ARG CB C 13 29.704 0.033 . 1 . . 613 . . 887 ARG CB . 27627 1 28 . 1 1 11 11 ARG N N 15 120.574 0.033 . 1 . . 612 . . 887 ARG N . 27627 1 29 . 1 1 12 12 LEU H H 1 8.154 0.007 . 1 . . 260 . . 888 LEU H . 27627 1 30 . 1 1 12 12 LEU C C 13 177.758 . . 1 . . 963 . . 888 LEU C . 27627 1 31 . 1 1 12 12 LEU CA C 13 55.029 0.003 . 1 . . 531 . . 888 LEU CA . 27627 1 32 . 1 1 12 12 LEU CB C 13 41.037 0.01 . 1 . . 530 . . 888 LEU CB . 27627 1 33 . 1 1 12 12 LEU N N 15 122.908 0.014 . 1 . . 261 . . 888 LEU N . 27627 1 34 . 1 1 13 13 GLU H H 1 8.339 0.003 . 1 . . 207 . . 889 GLU H . 27627 1 35 . 1 1 13 13 GLU C C 13 176.012 . . 1 . . 1023 . . 889 GLU C . 27627 1 36 . 1 1 13 13 GLU CA C 13 57.01 0.057 . 1 . . 490 . . 889 GLU CA . 27627 1 37 . 1 1 13 13 GLU CB C 13 29.519 0.077 . 1 . . 489 . . 889 GLU CB . 27627 1 38 . 1 1 13 13 GLU N N 15 120.85 0.008 . 1 . . 208 . . 889 GLU N . 27627 1 39 . 1 1 14 14 ASN H H 1 8.149 0.002 . 1 . . 311 . . 890 ASN H . 27627 1 40 . 1 1 14 14 ASN C C 13 174.593 . . 1 . . 1024 . . 890 ASN C . 27627 1 41 . 1 1 14 14 ASN CA C 13 54.913 . . 1 . . 541 . . 890 ASN CA . 27627 1 42 . 1 1 14 14 ASN CB C 13 38.494 0.033 . 1 . . 540 . . 890 ASN CB . 27627 1 43 . 1 1 14 14 ASN N N 15 120.753 0.015 . 1 . . 312 . . 890 ASN N . 27627 1 44 . 1 1 15 15 ARG H H 1 7.859 0.002 . 1 . . 247 . . 891 ARG H . 27627 1 45 . 1 1 15 15 ARG C C 13 175.642 . . 1 . . 1025 . . 891 ARG C . 27627 1 46 . 1 1 15 15 ARG CA C 13 54.219 0.008 . 1 . . 618 . . 891 ARG CA . 27627 1 47 . 1 1 15 15 ARG CB C 13 30.661 0.041 . 1 . . 616 . . 891 ARG CB . 27627 1 48 . 1 1 15 15 ARG N N 15 118.901 0.013 . 1 . . 248 . . 891 ARG N . 27627 1 49 . 1 1 16 16 ARG H H 1 8.373 0.002 . 1 . . 308 . . 892 ARG H . 27627 1 50 . 1 1 16 16 ARG C C 13 174.77 . . 1 . . 820 . . 892 ARG C . 27627 1 51 . 1 1 16 16 ARG CA C 13 53.654 0.016 . 1 . . 459 . . 892 ARG CA . 27627 1 52 . 1 1 16 16 ARG CB C 13 31.317 0.055 . 1 . . 458 . . 892 ARG CB . 27627 1 53 . 1 1 16 16 ARG N N 15 122.211 0.013 . 1 . . 307 . . 892 ARG N . 27627 1 54 . 1 1 17 17 SER H H 1 8.347 0.003 . 1 . . 804 . . 893 SER H . 27627 1 55 . 1 1 17 17 SER C C 13 175.184 . . 1 . . 821 . . 893 SER C . 27627 1 56 . 1 1 17 17 SER CA C 13 57.824 0.015 . 1 . . 388 . . 893 SER CA . 27627 1 57 . 1 1 17 17 SER CB C 13 62.81 0.033 . 1 . . 806 . . 893 SER CB . 27627 1 58 . 1 1 17 17 SER N N 15 119.666 0.032 . 1 . . 805 . . 893 SER N . 27627 1 59 . 1 1 18 18 PHE H H 1 8.834 0.002 . 1 . . 284 . . 894 PHE H . 27627 1 60 . 1 1 18 18 PHE C C 13 172.664 . . 1 . . 822 . . 894 PHE C . 27627 1 61 . 1 1 18 18 PHE CA C 13 57.164 0.005 . 1 . . 468 . . 894 PHE CA . 27627 1 62 . 1 1 18 18 PHE N N 15 123.858 0.012 . 1 . . 285 . . 894 PHE N . 27627 1 63 . 1 1 19 19 LYS H H 1 8.471 0.002 . 1 . . 7 . . 895 LYS H . 27627 1 64 . 1 1 19 19 LYS C C 13 176.777 . . 1 . . 823 . . 895 LYS C . 27627 1 65 . 1 1 19 19 LYS CA C 13 56.106 0.019 . 1 . . 469 . . 895 LYS CA . 27627 1 66 . 1 1 19 19 LYS CB C 13 31.336 0.036 . 1 . . 470 . . 895 LYS CB . 27627 1 67 . 1 1 19 19 LYS N N 15 128.64 0.01 . 1 . . 8 . . 895 LYS N . 27627 1 68 . 1 1 20 20 CYS H H 1 8.934 0.003 . 1 . . 94 . . 896 CYS H . 27627 1 69 . 1 1 20 20 CYS C C 13 172.44 . . 1 . . 747 . . 896 CYS C . 27627 1 70 . 1 1 20 20 CYS CA C 13 56.871 0.008 . 1 . . 407 . . 896 CYS CA . 27627 1 71 . 1 1 20 20 CYS CB C 13 31.743 0.087 . 1 . . 406 . . 896 CYS CB . 27627 1 72 . 1 1 20 20 CYS N N 15 124.36 0.019 . 1 . . 95 . . 896 CYS N . 27627 1 73 . 1 1 21 21 ILE H H 1 8.779 0.003 . 1 . . 153 . . 897 ILE H . 27627 1 74 . 1 1 21 21 ILE C C 13 174.937 . . 1 . . 316 . . 897 ILE C . 27627 1 75 . 1 1 21 21 ILE CA C 13 57.852 0.015 . 1 . . 355 . . 897 ILE CA . 27627 1 76 . 1 1 21 21 ILE CB C 13 38.324 0.012 . 1 . . 356 . . 897 ILE CB . 27627 1 77 . 1 1 21 21 ILE N N 15 121.677 0.014 . 1 . . 154 . . 897 ILE N . 27627 1 78 . 1 1 22 22 TRP H H 1 9.412 0.003 . 1 . . 189 . . 898 TRP H . 27627 1 79 . 1 1 22 22 TRP C C 13 173.761 . . 1 . . 293 . . 898 TRP C . 27627 1 80 . 1 1 22 22 TRP CA C 13 54.193 0.015 . 1 . . 622 . . 898 TRP CA . 27627 1 81 . 1 1 22 22 TRP CB C 13 31.547 0.02 . 1 . . 621 . . 898 TRP CB . 27627 1 82 . 1 1 22 22 TRP N N 15 129.206 0.039 . 1 . . 190 . . 898 TRP N . 27627 1 83 . 1 1 23 23 LEU H H 1 7.862 0.002 . 1 . . 116 . . 899 LEU H . 27627 1 84 . 1 1 23 23 LEU C C 13 173.378 . . 1 . . 748 . . 899 LEU C . 27627 1 85 . 1 1 23 23 LEU CA C 13 51.942 0.009 . 1 . . 661 . . 899 LEU CA . 27627 1 86 . 1 1 23 23 LEU CB C 13 43.438 0.102 . 1 . . 660 . . 899 LEU CB . 27627 1 87 . 1 1 23 23 LEU N N 15 131.646 0.01 . 1 . . 117 . . 899 LEU N . 27627 1 88 . 1 1 24 24 ASN H H 1 7.507 0.002 . 1 . . 218 . . 900 ASN H . 27627 1 89 . 1 1 24 24 ASN C C 13 177.526 . . 1 . . 288 . . 900 ASN C . 27627 1 90 . 1 1 24 24 ASN CA C 13 50.773 0.006 . 1 . . 497 . . 900 ASN CA . 27627 1 91 . 1 1 24 24 ASN CB C 13 38.61 0.034 . 1 . . 495 . . 900 ASN CB . 27627 1 92 . 1 1 24 24 ASN N N 15 122.411 0.076 . 1 . . 219 . . 900 ASN N . 27627 1 93 . 1 1 25 25 SER H H 1 8.308 0.003 . 1 . . 137 . . 901 SER H . 27627 1 94 . 1 1 25 25 SER C C 13 175.144 . . 1 . . 964 . . 901 SER C . 27627 1 95 . 1 1 25 25 SER CA C 13 60.717 0.012 . 1 . . 498 . . 901 SER CA . 27627 1 96 . 1 1 25 25 SER CB C 13 62.655 . . 1 . . 496 . . 901 SER CB . 27627 1 97 . 1 1 25 25 SER N N 15 113.123 0.011 . 1 . . 138 . . 901 SER N . 27627 1 98 . 1 1 26 26 GLN H H 1 7.537 0.001 . 1 . . 77 . . 902 GLN H . 27627 1 99 . 1 1 26 26 GLN C C 13 174.839 . . 1 . . 993 . . 902 GLN C . 27627 1 100 . 1 1 26 26 GLN CA C 13 55.075 0.006 . 1 . . 654 . . 902 GLN CA . 27627 1 101 . 1 1 26 26 GLN CB C 13 27.649 0.016 . 1 . . 655 . . 902 GLN CB . 27627 1 102 . 1 1 26 26 GLN N N 15 119.887 0.015 . 1 . . 78 . . 902 GLN N . 27627 1 103 . 1 1 27 27 PHE H H 1 8.212 0.002 . 1 . . 63 . . 903 PHE H . 27627 1 104 . 1 1 27 27 PHE C C 13 173.565 . . 1 . . 749 . . 903 PHE C . 27627 1 105 . 1 1 27 27 PHE CA C 13 59.744 0.035 . 1 . . 895 . . 903 PHE CA . 27627 1 106 . 1 1 27 27 PHE CB C 13 35.837 0.105 . 1 . . 894 . . 903 PHE CB . 27627 1 107 . 1 1 27 27 PHE N N 15 117.39 0.001 . 1 . . 64 . . 903 PHE N . 27627 1 108 . 1 1 28 28 ARG H H 1 7.31 0.003 . 1 . . 203 . . 904 ARG H . 27627 1 109 . 1 1 28 28 ARG C C 13 175.976 . . 1 . . 300 . . 904 ARG C . 27627 1 110 . 1 1 28 28 ARG CA C 13 54.127 0.007 . 1 . . 326 . . 904 ARG CA . 27627 1 111 . 1 1 28 28 ARG CB C 13 30.791 0.033 . 1 . . 325 . . 904 ARG CB . 27627 1 112 . 1 1 28 28 ARG N N 15 115.902 0.009 . 1 . . 683 . . 904 ARG N . 27627 1 113 . 1 1 29 29 GLU H H 1 8.439 0.001 . 1 . . 53 . . 905 GLU H . 27627 1 114 . 1 1 29 29 GLU C C 13 176.724 . . 1 . . 289 . . 905 GLU C . 27627 1 115 . 1 1 29 29 GLU CA C 13 55.519 0 . 1 . . 327 . . 905 GLU CA . 27627 1 116 . 1 1 29 29 GLU CB C 13 31.993 0.038 . 1 . . 328 . . 905 GLU CB . 27627 1 117 . 1 1 29 29 GLU N N 15 123.469 0.012 . 1 . . 54 . . 905 GLU N . 27627 1 118 . 1 1 30 30 GLU H H 1 9.073 0.003 . 1 . . 149 . . 906 GLU H . 27627 1 119 . 1 1 30 30 GLU C C 13 174.831 . . 1 . . 296 . . 906 GLU C . 27627 1 120 . 1 1 30 30 GLU CA C 13 54.726 0.005 . 1 . . 330 . . 906 GLU CA . 27627 1 121 . 1 1 30 30 GLU CB C 13 32.744 0.048 . 1 . . 329 . . 906 GLU CB . 27627 1 122 . 1 1 30 30 GLU N N 15 123.511 0.018 . 1 . . 150 . . 906 GLU N . 27627 1 123 . 1 1 31 31 GLU H H 1 8.744 0.002 . 1 . . 114 . . 907 GLU H . 27627 1 124 . 1 1 31 31 GLU C C 13 175.88 . . 1 . . 292 . . 907 GLU C . 27627 1 125 . 1 1 31 31 GLU CA C 13 56.655 0.01 . 1 . . 392 . . 907 GLU CA . 27627 1 126 . 1 1 31 31 GLU CB C 13 29.887 0.014 . 1 . . 389 . . 907 GLU CB . 27627 1 127 . 1 1 31 31 GLU N N 15 125.319 0.016 . 1 . . 115 . . 907 GLU N . 27627 1 128 . 1 1 32 32 ILE H H 1 8.881 0.002 . 1 . . 286 . . 908 ILE H . 27627 1 129 . 1 1 32 32 ILE C C 13 173.299 . . 1 . . 750 . . 908 ILE C . 27627 1 130 . 1 1 32 32 ILE CA C 13 59.826 0.002 . 1 . . 393 . . 908 ILE CA . 27627 1 131 . 1 1 32 32 ILE CB C 13 41.731 0.017 . 1 . . 390 . . 908 ILE CB . 27627 1 132 . 1 1 32 32 ILE N N 15 123.966 0.014 . 1 . . 287 . . 908 ILE N . 27627 1 133 . 1 1 33 33 THR H H 1 8.164 0.001 . 1 . . 86 . . 909 THR H . 27627 1 134 . 1 1 33 33 THR C C 13 172.467 . . 1 . . 751 . . 909 THR C . 27627 1 135 . 1 1 33 33 THR CA C 13 61.801 0.008 . 1 . . 331 . . 909 THR CA . 27627 1 136 . 1 1 33 33 THR CB C 13 68.567 0.003 . 1 . . 543 . . 909 THR CB . 27627 1 137 . 1 1 33 33 THR N N 15 120.645 0.021 . 1 . . 87 . . 909 THR N . 27627 1 138 . 1 1 34 34 LEU H H 1 8.148 0.002 . 1 . . 160 . . 910 LEU H . 27627 1 139 . 1 1 34 34 LEU C C 13 174.783 . . 1 . . 752 . . 910 LEU C . 27627 1 140 . 1 1 34 34 LEU CA C 13 51.947 0.011 . 1 . . 332 . . 910 LEU CA . 27627 1 141 . 1 1 34 34 LEU CB C 13 44.24 0.008 . 1 . . 334 . . 910 LEU CB . 27627 1 142 . 1 1 34 34 LEU N N 15 126.805 0.009 . 1 . . 161 . . 910 LEU N . 27627 1 143 . 1 1 35 35 TYR H H 1 9.018 0.002 . 1 . . 59 . . 911 TYR H . 27627 1 144 . 1 1 35 35 TYR CA C 13 54.882 . . 1 . . 333 . . 911 TYR CA . 27627 1 145 . 1 1 35 35 TYR CB C 13 38.173 . . 1 . . 335 . . 911 TYR CB . 27627 1 146 . 1 1 35 35 TYR N N 15 116.426 0.019 . 1 . . 60 . . 911 TYR N . 27627 1 147 . 1 1 36 36 PRO C C 13 174.824 . . 1 . . 824 . . 912 PRO C . 27627 1 148 . 1 1 36 36 PRO CA C 13 62.05 0.006 . 1 . . 436 . . 912 PRO CA . 27627 1 149 . 1 1 36 36 PRO CB C 13 31.555 0.069 . 1 . . 435 . . 912 PRO CB . 27627 1 150 . 1 1 37 37 ASP H H 1 8.512 0.002 . 1 . . 230 . . 913 ASP H . 27627 1 151 . 1 1 37 37 ASP C C 13 177.684 . . 1 . . 825 . . 913 ASP C . 27627 1 152 . 1 1 37 37 ASP CA C 13 54.986 0.003 . 1 . . 477 . . 913 ASP CA . 27627 1 153 . 1 1 37 37 ASP CB C 13 42.148 0.048 . 1 . . 476 . . 913 ASP CB . 27627 1 154 . 1 1 37 37 ASP N N 15 119.629 0.019 . 1 . . 231 . . 913 ASP N . 27627 1 155 . 1 1 38 38 LYS H H 1 8.411 0.003 . 1 . . 226 . . 914 LYS H . 27627 1 156 . 1 1 38 38 LYS C C 13 177.303 . . 1 . . 826 . . 914 LYS C . 27627 1 157 . 1 1 38 38 LYS CA C 13 58.526 0.014 . 1 . . 431 . . 914 LYS CA . 27627 1 158 . 1 1 38 38 LYS CB C 13 31.486 0.029 . 1 . . 433 . . 914 LYS CB . 27627 1 159 . 1 1 38 38 LYS N N 15 124.662 0.009 . 1 . . 227 . . 914 LYS N . 27627 1 160 . 1 1 39 39 HIS H H 1 8.563 0.005 . 1 . . 430 . . 915 HIS H . 27627 1 161 . 1 1 39 39 HIS C C 13 175.098 . . 1 . . 992 . . 915 HIS C . 27627 1 162 . 1 1 39 39 HIS CA C 13 55.265 0.001 . 1 . . 432 . . 915 HIS CA . 27627 1 163 . 1 1 39 39 HIS CB C 13 28.035 0.018 . 1 . . 434 . . 915 HIS CB . 27627 1 164 . 1 1 39 39 HIS N N 15 118.432 0.032 . 1 . . 204 . . 915 HIS N . 27627 1 165 . 1 1 40 40 GLY H H 1 7.664 0.003 . 1 . . 891 . . 916 GLY H . 27627 1 166 . 1 1 40 40 GLY C C 13 173.141 . . 1 . . 753 . . 916 GLY C . 27627 1 167 . 1 1 40 40 GLY CA C 13 44.214 0.013 . 1 . . 893 . . 916 GLY CA . 27627 1 168 . 1 1 40 40 GLY N N 15 105.727 0.008 . 1 . . 892 . . 916 GLY N . 27627 1 169 . 1 1 41 41 CYS H H 1 9.678 0.003 . 1 . . 246 . . 917 CYS H . 27627 1 170 . 1 1 41 41 CYS C C 13 175.96 . . 1 . . 754 . . 917 CYS C . 27627 1 171 . 1 1 41 41 CYS CA C 13 56.349 0.012 . 1 . . 352 . . 917 CYS CA . 27627 1 172 . 1 1 41 41 CYS CB C 13 32.184 0.042 . 1 . . 351 . . 917 CYS CB . 27627 1 173 . 1 1 41 41 CYS N N 15 117.115 0.028 . 1 . . 319 . . 917 CYS N . 27627 1 174 . 1 1 42 42 VAL H H 1 8.849 0.002 . 1 . . 180 . . 918 VAL H . 27627 1 175 . 1 1 42 42 VAL C C 13 177.929 . . 1 . . 755 . . 918 VAL C . 27627 1 176 . 1 1 42 42 VAL CA C 13 67.47 0.01 . 1 . . 397 . . 918 VAL CA . 27627 1 177 . 1 1 42 42 VAL CB C 13 30.715 0.087 . 1 . . 398 . . 918 VAL CB . 27627 1 178 . 1 1 42 42 VAL N N 15 124.848 0.009 . 1 . . 181 . . 918 VAL N . 27627 1 179 . 1 1 43 43 ARG H H 1 9.107 0.003 . 1 . . 157 . . 919 ARG H . 27627 1 180 . 1 1 43 43 ARG C C 13 177.297 . . 1 . . 756 . . 919 ARG C . 27627 1 181 . 1 1 43 43 ARG CA C 13 59.765 0.004 . 1 . . 361 . . 919 ARG CA . 27627 1 182 . 1 1 43 43 ARG CB C 13 29.779 0.05 . 1 . . 360 . . 919 ARG CB . 27627 1 183 . 1 1 43 43 ARG N N 15 119.63 0.036 . 1 . . 158 . . 919 ARG N . 27627 1 184 . 1 1 44 44 ASP H H 1 7.469 0.003 . 1 . . 98 . . 920 ASP H . 27627 1 185 . 1 1 44 44 ASP C C 13 179.192 . . 1 . . 757 . . 920 ASP C . 27627 1 186 . 1 1 44 44 ASP CA C 13 57.575 0.008 . 1 . . 666 . . 920 ASP CA . 27627 1 187 . 1 1 44 44 ASP CB C 13 40.324 0.03 . 1 . . 665 . . 920 ASP CB . 27627 1 188 . 1 1 44 44 ASP N N 15 118.258 0.011 . 1 . . 99 . . 920 ASP N . 27627 1 189 . 1 1 45 45 LEU H H 1 7.343 0.002 . 1 . . 238 . . 921 LEU H . 27627 1 190 . 1 1 45 45 LEU C C 13 177.914 . . 1 . . 758 . . 921 LEU C . 27627 1 191 . 1 1 45 45 LEU CA C 13 57.958 0.008 . 1 . . 678 . . 921 LEU CA . 27627 1 192 . 1 1 45 45 LEU CB C 13 41.854 0.007 . 1 . . 677 . . 921 LEU CB . 27627 1 193 . 1 1 45 45 LEU N N 15 121.901 0.011 . 1 . . 239 . . 921 LEU N . 27627 1 194 . 1 1 46 46 LEU H H 1 8.27 0.002 . 1 . . 168 . . 922 LEU H . 27627 1 195 . 1 1 46 46 LEU C C 13 179.327 . . 1 . . 759 . . 922 LEU C . 27627 1 196 . 1 1 46 46 LEU CA C 13 57.609 0.009 . 1 . . 505 . . 922 LEU CA . 27627 1 197 . 1 1 46 46 LEU CB C 13 39.312 0.068 . 1 . . 506 . . 922 LEU CB . 27627 1 198 . 1 1 46 46 LEU N N 15 117.706 0.01 . 1 . . 169 . . 922 LEU N . 27627 1 199 . 1 1 47 47 GLU H H 1 8.302 0.002 . 1 . . 162 . . 923 GLU H . 27627 1 200 . 1 1 47 47 GLU C C 13 179.956 . . 1 . . 760 . . 923 GLU C . 27627 1 201 . 1 1 47 47 GLU CA C 13 58.823 0.006 . 1 . . 500 . . 923 GLU CA . 27627 1 202 . 1 1 47 47 GLU CB C 13 28.553 0.062 . 1 . . 499 . . 923 GLU CB . 27627 1 203 . 1 1 47 47 GLU N N 15 119.215 0.019 . 1 . . 163 . . 923 GLU N . 27627 1 204 . 1 1 48 48 GLU H H 1 7.713 0.002 . 1 . . 708 . . 924 GLU H . 27627 1 205 . 1 1 48 48 GLU C C 13 178.981 . . 1 . . 761 . . 924 GLU C . 27627 1 206 . 1 1 48 48 GLU CA C 13 58.16 0.002 . 1 . . 710 . . 924 GLU CA . 27627 1 207 . 1 1 48 48 GLU CB C 13 28.433 0.034 . 1 . . 711 . . 924 GLU CB . 27627 1 208 . 1 1 48 48 GLU N N 15 118.225 0.016 . 1 . . 709 . . 924 GLU N . 27627 1 209 . 1 1 49 49 CYS H H 1 7.98 0.003 . 1 . . 314 . . 925 CYS H . 27627 1 210 . 1 1 49 49 CYS C C 13 176.093 . . 1 . . 762 . . 925 CYS C . 27627 1 211 . 1 1 49 49 CYS CA C 13 62.475 0.02 . 1 . . 597 . . 925 CYS CA . 27627 1 212 . 1 1 49 49 CYS CB C 13 25.968 0.024 . 1 . . 600 . . 925 CYS CB . 27627 1 213 . 1 1 49 49 CYS N N 15 121.221 0.034 . 1 . . 315 . . 925 CYS N . 27627 1 214 . 1 1 50 50 LYS H H 1 7.837 0.004 . 1 . . 172 . . 926 LYS H . 27627 1 215 . 1 1 50 50 LYS C C 13 177.044 . . 1 . . 763 . . 926 LYS C . 27627 1 216 . 1 1 50 50 LYS CA C 13 59.342 0.001 . 1 . . 336 . . 926 LYS CA . 27627 1 217 . 1 1 50 50 LYS CB C 13 31.708 0.046 . 1 . . 337 . . 926 LYS CB . 27627 1 218 . 1 1 50 50 LYS N N 15 117.243 0.009 . 1 . . 173 . . 926 LYS N . 27627 1 219 . 1 1 51 51 LYS H H 1 6.882 0.003 . 1 . . 232 . . 927 LYS H . 27627 1 220 . 1 1 51 51 LYS C C 13 177.172 . . 1 . . 764 . . 927 LYS C . 27627 1 221 . 1 1 51 51 LYS CA C 13 57.341 0.004 . 1 . . 339 . . 927 LYS CA . 27627 1 222 . 1 1 51 51 LYS CB C 13 32.133 0.099 . 1 . . 338 . . 927 LYS CB . 27627 1 223 . 1 1 51 51 LYS N N 15 113.581 0.002 . 1 . . 233 . . 927 LYS N . 27627 1 224 . 1 1 52 52 ALA H H 1 7.487 0.002 . 1 . . 108 . . 928 ALA H . 27627 1 225 . 1 1 52 52 ALA C C 13 177.544 . . 1 . . 765 . . 928 ALA C . 27627 1 226 . 1 1 52 52 ALA CA C 13 52.604 0.017 . 1 . . 340 . . 928 ALA CA . 27627 1 227 . 1 1 52 52 ALA CB C 13 20.608 0.073 . 1 . . 341 . . 928 ALA CB . 27627 1 228 . 1 1 52 52 ALA N N 15 120.945 0.022 . 1 . . 109 . . 928 ALA N . 27627 1 229 . 1 1 53 53 VAL H H 1 6.966 0.003 . 1 . . 47 . . 929 VAL H . 27627 1 230 . 1 1 53 53 VAL C C 13 174.426 . . 1 . . 766 . . 929 VAL C . 27627 1 231 . 1 1 53 53 VAL CA C 13 58.91 0.003 . 1 . . 321 . . 929 VAL CA . 27627 1 232 . 1 1 53 53 VAL CB C 13 33.931 0.038 . 1 . . 320 . . 929 VAL CB . 27627 1 233 . 1 1 53 53 VAL N N 15 111.167 0.026 . 1 . . 48 . . 929 VAL N . 27627 1 234 . 1 1 54 54 GLU H H 1 7.791 0.002 . 1 . . 164 . . 930 GLU H . 27627 1 235 . 1 1 54 54 GLU C C 13 176.225 . . 1 . . 767 . . 930 GLU C . 27627 1 236 . 1 1 54 54 GLU CA C 13 54.91 0.002 . 1 . . 342 . . 930 GLU CA . 27627 1 237 . 1 1 54 54 GLU CB C 13 29.522 0.021 . 1 . . 343 . . 930 GLU CB . 27627 1 238 . 1 1 54 54 GLU N N 15 119.935 0.013 . 1 . . 165 . . 930 GLU N . 27627 1 239 . 1 1 55 55 LEU H H 1 8.251 0.004 . 1 . . 216 . . 931 LEU H . 27627 1 240 . 1 1 55 55 LEU C C 13 178.073 . . 1 . . 768 . . 931 LEU C . 27627 1 241 . 1 1 55 55 LEU CA C 13 54.424 0.011 . 1 . . 594 . . 931 LEU CA . 27627 1 242 . 1 1 55 55 LEU CB C 13 41.016 0.008 . 1 . . 344 . . 931 LEU CB . 27627 1 243 . 1 1 55 55 LEU N N 15 125.927 0.008 . 1 . . 217 . . 931 LEU N . 27627 1 244 . 1 1 56 56 GLY H H 1 9.562 0.003 . 1 . . 15 . . 932 GLY H . 27627 1 245 . 1 1 56 56 GLY C C 13 174.854 . . 1 . . 774 . . 932 GLY C . 27627 1 246 . 1 1 56 56 GLY CA C 13 44.734 0.003 . 1 . . 437 . . 932 GLY CA . 27627 1 247 . 1 1 56 56 GLY N N 15 109.644 0.039 . 1 . . 16 . . 932 GLY N . 27627 1 248 . 1 1 57 57 GLU H H 1 8.512 0.002 . 1 . . 37 . . 933 GLU H . 27627 1 249 . 1 1 57 57 GLU C C 13 177.143 . . 1 . . 769 . . 933 GLU C . 27627 1 250 . 1 1 57 57 GLU CA C 13 57.133 0.002 . 1 . . 438 . . 933 GLU CA . 27627 1 251 . 1 1 57 57 GLU CB C 13 29.265 0.005 . 1 . . 439 . . 933 GLU CB . 27627 1 252 . 1 1 57 57 GLU N N 15 122.345 0.018 . 1 . . 38 . . 933 GLU N . 27627 1 253 . 1 1 58 58 LYS H H 1 8.581 0.002 . 1 . . 139 . . 934 LYS H . 27627 1 254 . 1 1 58 58 LYS C C 13 175.525 . . 1 . . 770 . . 934 LYS C . 27627 1 255 . 1 1 58 58 LYS CA C 13 55.678 0.003 . 1 . . 423 . . 934 LYS CA . 27627 1 256 . 1 1 58 58 LYS CB C 13 30.684 0.034 . 1 . . 422 . . 934 LYS CB . 27627 1 257 . 1 1 58 58 LYS N N 15 120.654 0.015 . 1 . . 140 . . 934 LYS N . 27627 1 258 . 1 1 59 59 ALA H H 1 7.585 0.002 . 1 . . 39 . . 935 ALA H . 27627 1 259 . 1 1 59 59 ALA C C 13 176.996 . . 1 . . 771 . . 935 ALA C . 27627 1 260 . 1 1 59 59 ALA CA C 13 51.006 0.008 . 1 . . 508 . . 935 ALA CA . 27627 1 261 . 1 1 59 59 ALA CB C 13 18.917 0.004 . 1 . . 511 . . 935 ALA CB . 27627 1 262 . 1 1 59 59 ALA N N 15 124.042 0.016 . 1 . . 40 . . 935 ALA N . 27627 1 263 . 1 1 60 60 SER H H 1 8.266 0.003 . 1 . . 83 . . 936 SER H . 27627 1 264 . 1 1 60 60 SER C C 13 176.305 . . 1 . . 772 . . 936 SER C . 27627 1 265 . 1 1 60 60 SER CA C 13 60.477 0.013 . 1 . . 509 . . 936 SER CA . 27627 1 266 . 1 1 60 60 SER CB C 13 63.954 0.041 . 1 . . 510 . . 936 SER CB . 27627 1 267 . 1 1 60 60 SER N N 15 114.619 0.034 . 1 . . 507 . . 936 SER N . 27627 1 268 . 1 1 61 61 GLY H H 1 9.753 0.003 . 1 . . 43 . . 937 GLY H . 27627 1 269 . 1 1 61 61 GLY C C 13 172.914 . . 1 . . 773 . . 937 GLY C . 27627 1 270 . 1 1 61 61 GLY CA C 13 45.484 0.003 . 1 . . 539 . . 937 GLY CA . 27627 1 271 . 1 1 61 61 GLY N N 15 114.358 0.029 . 1 . . 44 . . 937 GLY N . 27627 1 272 . 1 1 62 62 LYS H H 1 8.143 0.002 . 1 . . 96 . . 938 LYS H . 27627 1 273 . 1 1 62 62 LYS C C 13 176.303 . . 1 . . 965 . . 938 LYS C . 27627 1 274 . 1 1 62 62 LYS CA C 13 54.341 0.012 . 1 . . 441 . . 938 LYS CA . 27627 1 275 . 1 1 62 62 LYS CB C 13 34.049 0.01 . 1 . . 440 . . 938 LYS CB . 27627 1 276 . 1 1 62 62 LYS N N 15 120.562 0.009 . 1 . . 97 . . 938 LYS N . 27627 1 277 . 1 1 63 63 LEU H H 1 8.526 0.004 . 1 . . 304 . . 939 LEU H . 27627 1 278 . 1 1 63 63 LEU C C 13 175.831 . . 1 . . 775 . . 939 LEU C . 27627 1 279 . 1 1 63 63 LEU CA C 13 52.807 0.012 . 1 . . 414 . . 939 LEU CA . 27627 1 280 . 1 1 63 63 LEU CB C 13 44.696 0.02 . 1 . . 412 . . 939 LEU CB . 27627 1 281 . 1 1 63 63 LEU N N 15 122.274 0.037 . 1 . . 303 . . 939 LEU N . 27627 1 282 . 1 1 64 64 ARG H H 1 8.719 0.002 . 1 . . 191 . . 940 ARG H . 27627 1 283 . 1 1 64 64 ARG C C 13 172.084 . . 1 . . 776 . . 940 ARG C . 27627 1 284 . 1 1 64 64 ARG CA C 13 54.028 0.01 . 1 . . 415 . . 940 ARG CA . 27627 1 285 . 1 1 64 64 ARG CB C 13 32.978 0.062 . 1 . . 413 . . 940 ARG CB . 27627 1 286 . 1 1 64 64 ARG N N 15 114.116 0.018 . 1 . . 192 . . 940 ARG N . 27627 1 287 . 1 1 65 65 LEU H H 1 8.868 0.003 . 1 . . 151 . . 941 LEU H . 27627 1 288 . 1 1 65 65 LEU C C 13 174.07 . . 1 . . 777 . . 941 LEU C . 27627 1 289 . 1 1 65 65 LEU CA C 13 53.088 0.015 . 1 . . 395 . . 941 LEU CA . 27627 1 290 . 1 1 65 65 LEU CB C 13 44.205 0.077 . 1 . . 396 . . 941 LEU CB . 27627 1 291 . 1 1 65 65 LEU N N 15 121.075 0.013 . 1 . . 152 . . 941 LEU N . 27627 1 292 . 1 1 66 66 LEU H H 1 9.91 0.002 . 1 . . 295 . . 942 LEU H . 27627 1 293 . 1 1 66 66 LEU C C 13 175.37 . . 1 . . 779 . . 942 LEU C . 27627 1 294 . 1 1 66 66 LEU CA C 13 53.207 0.039 . 1 . . 783 . . 942 LEU CA . 27627 1 295 . 1 1 66 66 LEU CB C 13 44.581 0.048 . 1 . . 717 . . 942 LEU CB . 27627 1 296 . 1 1 66 66 LEU N N 15 128.099 0.004 . 1 . . 294 . . 942 LEU N . 27627 1 297 . 1 1 67 67 GLU H H 1 8.456 0.003 . 1 . . 305 . . 943 GLU H . 27627 1 298 . 1 1 67 67 GLU C C 13 174.393 . . 1 . . 780 . . 943 GLU C . 27627 1 299 . 1 1 67 67 GLU CA C 13 54.065 0.005 . 1 . . 449 . . 943 GLU CA . 27627 1 300 . 1 1 67 67 GLU CB C 13 33.005 0.03 . 1 . . 448 . . 943 GLU CB . 27627 1 301 . 1 1 67 67 GLU N N 15 122.333 0.02 . 1 . . 306 . . 943 GLU N . 27627 1 302 . 1 1 68 68 ILE H H 1 9.007 0.001 . 1 . . 21 . . 944 ILE H . 27627 1 303 . 1 1 68 68 ILE C C 13 174.977 . . 1 . . 781 . . 944 ILE C . 27627 1 304 . 1 1 68 68 ILE CA C 13 59.374 0.014 . 1 . . 374 . . 944 ILE CA . 27627 1 305 . 1 1 68 68 ILE CB C 13 40.647 0.034 . 1 . . 373 . . 944 ILE CB . 27627 1 306 . 1 1 68 68 ILE N N 15 129.965 0.013 . 1 . . 22 . . 944 ILE N . 27627 1 307 . 1 1 69 69 VAL H H 1 8.48 0.003 . 1 . . 90 . . 945 VAL H . 27627 1 308 . 1 1 69 69 VAL C C 13 176.015 . . 1 . . 782 . . 945 VAL C . 27627 1 309 . 1 1 69 69 VAL CA C 13 61.149 0 . 1 . . 467 . . 945 VAL CA . 27627 1 310 . 1 1 69 69 VAL CB C 13 35.119 0.041 . 1 . . 466 . . 945 VAL CB . 27627 1 311 . 1 1 69 69 VAL N N 15 126.54 0.013 . 1 . . 91 . . 945 VAL N . 27627 1 312 . 1 1 70 70 SER H H 1 9.077 0.003 . 1 . . 712 . . 946 SER H . 27627 1 313 . 1 1 70 70 SER C C 13 174.535 . . 1 . . 997 . . 946 SER C . 27627 1 314 . 1 1 70 70 SER CA C 13 58.552 0.015 . 1 . . 714 . . 946 SER CA . 27627 1 315 . 1 1 70 70 SER CB C 13 59.725 . . 1 . . 715 . . 946 SER CB . 27627 1 316 . 1 1 70 70 SER N N 15 125.051 0.015 . 1 . . 713 . . 946 SER N . 27627 1 317 . 1 1 71 71 TYR H H 1 8.112 0.001 . 1 . . 81 . . 947 TYR H . 27627 1 318 . 1 1 71 71 TYR C C 13 172.447 . . 1 . . 1026 . . 947 TYR C . 27627 1 319 . 1 1 71 71 TYR CA C 13 59.262 0.018 . 1 . . 998 . . 947 TYR CA . 27627 1 320 . 1 1 71 71 TYR CB C 13 34.369 0.167 . 1 . . 999 . . 947 TYR CB . 27627 1 321 . 1 1 71 71 TYR N N 15 110.256 0.001 . 1 . . 82 . . 947 TYR N . 27627 1 322 . 1 1 72 72 LYS H H 1 7.246 0.004 . 1 . . 19 . . 948 LYS H . 27627 1 323 . 1 1 72 72 LYS C C 13 175.339 . . 1 . . 1027 . . 948 LYS C . 27627 1 324 . 1 1 72 72 LYS CA C 13 54.059 0.005 . 1 . . 692 . . 948 LYS CA . 27627 1 325 . 1 1 72 72 LYS CB C 13 33.894 0.042 . 1 . . 691 . . 948 LYS CB . 27627 1 326 . 1 1 72 72 LYS N N 15 115.481 0.021 . 1 . . 20 . . 948 LYS N . 27627 1 327 . 1 1 73 73 ILE H H 1 8.439 0.002 . 1 . . 442 . . 949 ILE H . 27627 1 328 . 1 1 73 73 ILE C C 13 176.349 . . 1 . . 966 . . 949 ILE C . 27627 1 329 . 1 1 73 73 ILE CA C 13 61.742 0.019 . 1 . . 447 . . 949 ILE CA . 27627 1 330 . 1 1 73 73 ILE CB C 13 37.654 0.031 . 1 . . 446 . . 949 ILE CB . 27627 1 331 . 1 1 73 73 ILE N N 15 122.088 0.02 . 1 . . 443 . . 949 ILE N . 27627 1 332 . 1 1 74 74 ILE H H 1 8.964 0.001 . 1 . . 205 . . 950 ILE H . 27627 1 333 . 1 1 74 74 ILE C C 13 176.605 . . 1 . . 994 . . 950 ILE C . 27627 1 334 . 1 1 74 74 ILE CA C 13 60.071 0.004 . 1 . . 944 . . 950 ILE CA . 27627 1 335 . 1 1 74 74 ILE CB C 13 38.152 0.036 . 1 . . 945 . . 950 ILE CB . 27627 1 336 . 1 1 74 74 ILE N N 15 124.839 0.013 . 1 . . 206 . . 950 ILE N . 27627 1 337 . 1 1 75 75 GLY H H 1 7.27 0.004 . 1 . . 112 . . 951 GLY H . 27627 1 338 . 1 1 75 75 GLY C C 13 170.347 . . 1 . . 784 . . 951 GLY C . 27627 1 339 . 1 1 75 75 GLY CA C 13 45.248 0.02 . 1 . . 534 . . 951 GLY CA . 27627 1 340 . 1 1 75 75 GLY N N 15 108.511 0.001 . 1 . . 113 . . 951 GLY N . 27627 1 341 . 1 1 76 76 VAL H H 1 8.152 0.002 . 1 . . 532 . . 952 VAL H . 27627 1 342 . 1 1 76 76 VAL C C 13 176.714 . . 1 . . 785 . . 952 VAL C . 27627 1 343 . 1 1 76 76 VAL CA C 13 61.006 0.001 . 1 . . 535 . . 952 VAL CA . 27627 1 344 . 1 1 76 76 VAL CB C 13 32.352 0.048 . 1 . . 536 . . 952 VAL CB . 27627 1 345 . 1 1 76 76 VAL N N 15 122.792 0.036 . 1 . . 533 . . 952 VAL N . 27627 1 346 . 1 1 77 77 HIS H H 1 8.612 0.002 . 1 . . 290 . . 953 HIS H . 27627 1 347 . 1 1 77 77 HIS C C 13 174.365 . . 1 . . 786 . . 953 HIS C . 27627 1 348 . 1 1 77 77 HIS CA C 13 56.293 0.018 . 1 . . 427 . . 953 HIS CA . 27627 1 349 . 1 1 77 77 HIS CB C 13 30.346 0.091 . 1 . . 426 . . 953 HIS CB . 27627 1 350 . 1 1 77 77 HIS N N 15 124.993 0.026 . 1 . . 291 . . 953 HIS N . 27627 1 351 . 1 1 78 78 GLN H H 1 8.911 0.003 . 1 . . 272 . . 954 GLN H . 27627 1 352 . 1 1 78 78 GLN C C 13 177.537 . . 1 . . 313 . . 954 GLN C . 27627 1 353 . 1 1 78 78 GLN CA C 13 54.888 0.003 . 1 . . 385 . . 954 GLN CA . 27627 1 354 . 1 1 78 78 GLN CB C 13 29.155 0.024 . 1 . . 384 . . 954 GLN CB . 27627 1 355 . 1 1 78 78 GLN N N 15 123.349 0.012 . 1 . . 273 . . 954 GLN N . 27627 1 356 . 1 1 79 79 GLU H H 1 8.804 0.003 . 1 . . 182 . . 955 GLU H . 27627 1 357 . 1 1 79 79 GLU C C 13 176.308 . . 1 . . 787 . . 955 GLU C . 27627 1 358 . 1 1 79 79 GLU CA C 13 59.725 0.008 . 1 . . 524 . . 955 GLU CA . 27627 1 359 . 1 1 79 79 GLU CB C 13 29.412 0.06 . 1 . . 522 . . 955 GLU CB . 27627 1 360 . 1 1 79 79 GLU N N 15 118.511 0.033 . 1 . . 183 . . 955 GLU N . 27627 1 361 . 1 1 80 80 ASP H H 1 8.212 0.003 . 1 . . 57 . . 956 ASP H . 27627 1 362 . 1 1 80 80 ASP C C 13 176.417 . . 1 . . 788 . . 956 ASP C . 27627 1 363 . 1 1 80 80 ASP CA C 13 53.469 0.005 . 1 . . 525 . . 956 ASP CA . 27627 1 364 . 1 1 80 80 ASP CB C 13 39.862 0.052 . 1 . . 523 . . 956 ASP CB . 27627 1 365 . 1 1 80 80 ASP N N 15 113.988 0.011 . 1 . . 58 . . 956 ASP N . 27627 1 366 . 1 1 81 81 GLU H H 1 7.356 0.003 . 1 . . 73 . . 957 GLU H . 27627 1 367 . 1 1 81 81 GLU C C 13 176.506 . . 1 . . 789 . . 957 GLU C . 27627 1 368 . 1 1 81 81 GLU CA C 13 56.334 0.011 . 1 . . 675 . . 957 GLU CA . 27627 1 369 . 1 1 81 81 GLU CB C 13 29.77 0.006 . 1 . . 676 . . 957 GLU CB . 27627 1 370 . 1 1 81 81 GLU N N 15 121.586 0.042 . 1 . . 74 . . 957 GLU N . 27627 1 371 . 1 1 82 82 LEU H H 1 8.62 0.002 . 1 . . 224 . . 958 LEU H . 27627 1 372 . 1 1 82 82 LEU C C 13 178.696 . . 1 . . 778 . . 958 LEU C . 27627 1 373 . 1 1 82 82 LEU CA C 13 55.005 0.008 . 1 . . 424 . . 958 LEU CA . 27627 1 374 . 1 1 82 82 LEU CB C 13 40.967 0.026 . 1 . . 425 . . 958 LEU CB . 27627 1 375 . 1 1 82 82 LEU N N 15 124.146 0.03 . 1 . . 225 . . 958 LEU N . 27627 1 376 . 1 1 83 83 LEU H H 1 8.484 0.002 . 1 . . 280 . . 959 LEU H . 27627 1 377 . 1 1 83 83 LEU C C 13 179.949 . . 1 . . 790 . . 959 LEU C . 27627 1 378 . 1 1 83 83 LEU CA C 13 56.767 0.01 . 1 . . 444 . . 959 LEU CA . 27627 1 379 . 1 1 83 83 LEU CB C 13 39.416 0.017 . 1 . . 445 . . 959 LEU CB . 27627 1 380 . 1 1 83 83 LEU N N 15 122.44 0.009 . 1 . . 281 . . 959 LEU N . 27627 1 381 . 1 1 84 84 GLU H H 1 8.481 0.003 . 1 . . 262 . . 960 GLU H . 27627 1 382 . 1 1 84 84 GLU C C 13 176.763 . . 1 . . 791 . . 960 GLU C . 27627 1 383 . 1 1 84 84 GLU CA C 13 57.348 0.017 . 1 . . 464 . . 960 GLU CA . 27627 1 384 . 1 1 84 84 GLU CB C 13 29.103 0.011 . 1 . . 465 . . 960 GLU CB . 27627 1 385 . 1 1 84 84 GLU N N 15 116.756 0.017 . 1 . . 263 . . 960 GLU N . 27627 1 386 . 1 1 85 85 CYS H H 1 7.405 0.001 . 1 . . 211 . . 961 CYS H . 27627 1 387 . 1 1 85 85 CYS C C 13 175.239 . . 1 . . 792 . . 961 CYS C . 27627 1 388 . 1 1 85 85 CYS CA C 13 59.162 0.026 . 1 . . 323 . . 961 CYS CA . 27627 1 389 . 1 1 85 85 CYS CB C 13 27.825 0.058 . 1 . . 324 . . 961 CYS CB . 27627 1 390 . 1 1 85 85 CYS N N 15 115.87 0.01 . 1 . . 322 . . 961 CYS N . 27627 1 391 . 1 1 86 86 LEU H H 1 7.198 0.002 . 1 . . 276 . . 962 LEU H . 27627 1 392 . 1 1 86 86 LEU C C 13 177.347 . . 1 . . 793 . . 962 LEU C . 27627 1 393 . 1 1 86 86 LEU CA C 13 54.187 0.006 . 1 . . 694 . . 962 LEU CA . 27627 1 394 . 1 1 86 86 LEU CB C 13 39.546 0.039 . 1 . . 693 . . 962 LEU CB . 27627 1 395 . 1 1 86 86 LEU N N 15 121.209 0.035 . 1 . . 277 . . 962 LEU N . 27627 1 396 . 1 1 87 87 SER H H 1 8.933 0.003 . 1 . . 297 . . 963 SER H . 27627 1 397 . 1 1 87 87 SER CA C 13 56.909 . . 1 . . 542 . . 963 SER CA . 27627 1 398 . 1 1 87 87 SER CB C 13 63.067 . . 1 . . 716 . . 963 SER CB . 27627 1 399 . 1 1 87 87 SER N N 15 119.502 0.007 . 1 . . 298 . . 963 SER N . 27627 1 400 . 1 1 88 88 PRO C C 13 177.17 . . 1 . . 827 . . 964 PRO C . 27627 1 401 . 1 1 88 88 PRO CA C 13 62.675 0.007 . 1 . . 483 . . 964 PRO CA . 27627 1 402 . 1 1 88 88 PRO CB C 13 31.207 0.017 . 1 . . 481 . . 964 PRO CB . 27627 1 403 . 1 1 89 89 ALA H H 1 8.271 0.003 . 1 . . 178 . . 965 ALA H . 27627 1 404 . 1 1 89 89 ALA CA C 13 52.547 . . 1 . . 484 . . 965 ALA CA . 27627 1 405 . 1 1 89 89 ALA CB C 13 18.352 . . 1 . . 482 . . 965 ALA CB . 27627 1 406 . 1 1 89 89 ALA N N 15 125.542 0.022 . 1 . . 179 . . 965 ALA N . 27627 1 407 . 1 1 94 94 PHE C C 13 173.704 . . 1 . . 828 . . 970 PHE C . 27627 1 408 . 1 1 94 94 PHE CA C 13 56.835 0.02 . 1 . . 369 . . 970 PHE CA . 27627 1 409 . 1 1 94 94 PHE CB C 13 39.71 0.028 . 1 . . 370 . . 970 PHE CB . 27627 1 410 . 1 1 95 95 ARG H H 1 9.019 0.003 . 1 . . 278 . . 971 ARG H . 27627 1 411 . 1 1 95 95 ARG C C 13 173.524 . . 1 . . 829 . . 971 ARG C . 27627 1 412 . 1 1 95 95 ARG CA C 13 53.022 0.025 . 1 . . 353 . . 971 ARG CA . 27627 1 413 . 1 1 95 95 ARG CB C 13 36.676 0.065 . 1 . . 354 . . 971 ARG CB . 27627 1 414 . 1 1 95 95 ARG N N 15 126.103 0.028 . 1 . . 279 . . 971 ARG N . 27627 1 415 . 1 1 96 96 ILE H H 1 9.642 0.002 . 1 . . 25 . . 972 ILE H . 27627 1 416 . 1 1 96 96 ILE C C 13 172.984 . . 1 . . 830 . . 972 ILE C . 27627 1 417 . 1 1 96 96 ILE CA C 13 59.485 0.008 . 1 . . 544 . . 972 ILE CA . 27627 1 418 . 1 1 96 96 ILE CB C 13 39.458 0.046 . 1 . . 546 . . 972 ILE CB . 27627 1 419 . 1 1 96 96 ILE N N 15 128.774 0.026 . 1 . . 26 . . 972 ILE N . 27627 1 420 . 1 1 97 97 GLU H H 1 8.105 0.003 . 1 . . 1 . . 973 GLU H . 27627 1 421 . 1 1 97 97 GLU C C 13 173.928 . . 1 . . 831 . . 973 GLU C . 27627 1 422 . 1 1 97 97 GLU CA C 13 53.103 0.006 . 1 . . 545 . . 973 GLU CA . 27627 1 423 . 1 1 97 97 GLU CB C 13 32.687 0.024 . 1 . . 547 . . 973 GLU CB . 27627 1 424 . 1 1 97 97 GLU N N 15 119.222 0.04 . 1 . . 2 . . 973 GLU N . 27627 1 425 . 1 1 98 98 GLU H H 1 8.965 0.002 . 1 . . 193 . . 974 GLU H . 27627 1 426 . 1 1 98 98 GLU C C 13 176.788 . . 1 . . 832 . . 974 GLU C . 27627 1 427 . 1 1 98 98 GLU CA C 13 54.799 0.002 . 1 . . 382 . . 974 GLU CA . 27627 1 428 . 1 1 98 98 GLU CB C 13 30.664 0.028 . 1 . . 381 . . 974 GLU CB . 27627 1 429 . 1 1 98 98 GLU N N 15 122.932 0.015 . 1 . . 194 . . 974 GLU N . 27627 1 430 . 1 1 99 99 ILE H H 1 8.979 0.003 . 1 . . 187 . . 975 ILE H . 27627 1 431 . 1 1 99 99 ILE CA C 13 60.694 . . 1 . . 378 . . 975 ILE CA . 27627 1 432 . 1 1 99 99 ILE CB C 13 38.223 . . 1 . . 377 . . 975 ILE CB . 27627 1 433 . 1 1 99 99 ILE N N 15 127.884 0.015 . 1 . . 188 . . 975 ILE N . 27627 1 434 . 1 1 100 100 PRO C C 13 177.697 . . 1 . . 833 . . 976 PRO C . 27627 1 435 . 1 1 100 100 PRO CA C 13 62.765 0.006 . 1 . . 410 . . 976 PRO CA . 27627 1 436 . 1 1 100 100 PRO CB C 13 32.386 0.018 . 1 . . 411 . . 976 PRO CB . 27627 1 437 . 1 1 101 101 LEU H H 1 8.76 0.002 . 1 . . 274 . . 977 LEU H . 27627 1 438 . 1 1 101 101 LEU C C 13 178.651 . . 1 . . 834 . . 977 LEU C . 27627 1 439 . 1 1 101 101 LEU CA C 13 58.091 0.018 . 1 . . 491 . . 977 LEU CA . 27627 1 440 . 1 1 101 101 LEU CB C 13 41.315 0.044 . 1 . . 493 . . 977 LEU CB . 27627 1 441 . 1 1 101 101 LEU N N 15 122.42 0.008 . 1 . . 275 . . 977 LEU N . 27627 1 442 . 1 1 102 102 ASP H H 1 8.325 0.003 . 1 . . 35 . . 978 ASP H . 27627 1 443 . 1 1 102 102 ASP C C 13 175.52 . . 1 . . 835 . . 978 ASP C . 27627 1 444 . 1 1 102 102 ASP CA C 13 54.948 0.005 . 1 . . 492 . . 978 ASP CA . 27627 1 445 . 1 1 102 102 ASP CB C 13 39.649 0.044 . 1 . . 494 . . 978 ASP CB . 27627 1 446 . 1 1 102 102 ASP N N 15 113.994 0.024 . 1 . . 36 . . 978 ASP N . 27627 1 447 . 1 1 103 103 GLN H H 1 7.704 0.003 . 1 . . 242 . . 979 GLN H . 27627 1 448 . 1 1 103 103 GLN C C 13 174.957 . . 1 . . 836 . . 979 GLN C . 27627 1 449 . 1 1 103 103 GLN CA C 13 54.471 0.009 . 1 . . 633 . . 979 GLN CA . 27627 1 450 . 1 1 103 103 GLN CB C 13 27.794 0.011 . 1 . . 634 . . 979 GLN CB . 27627 1 451 . 1 1 103 103 GLN N N 15 115.614 0.014 . 1 . . 243 . . 979 GLN N . 27627 1 452 . 1 1 104 104 VAL H H 1 6.9 0.003 . 1 . . 228 . . 980 VAL H . 27627 1 453 . 1 1 104 104 VAL C C 13 175.671 . . 1 . . 837 . . 980 VAL C . 27627 1 454 . 1 1 104 104 VAL CA C 13 64.69 0.004 . 1 . . 704 . . 980 VAL CA . 27627 1 455 . 1 1 104 104 VAL CB C 13 31.761 0.073 . 1 . . 703 . . 980 VAL CB . 27627 1 456 . 1 1 104 104 VAL N N 15 120.28 0.012 . 1 . . 229 . . 980 VAL N . 27627 1 457 . 1 1 105 105 ASP H H 1 8.341 0.002 . 1 . . 222 . . 981 ASP H . 27627 1 458 . 1 1 105 105 ASP C C 13 174.748 . . 1 . . 838 . . 981 ASP C . 27627 1 459 . 1 1 105 105 ASP CA C 13 53.089 0.002 . 1 . . 460 . . 981 ASP CA . 27627 1 460 . 1 1 105 105 ASP CB C 13 40.67 0.049 . 1 . . 461 . . 981 ASP CB . 27627 1 461 . 1 1 105 105 ASP N N 15 122.133 0.015 . 1 . . 223 . . 981 ASP N . 27627 1 462 . 1 1 106 106 ILE H H 1 7.645 0.002 . 1 . . 45 . . 982 ILE H . 27627 1 463 . 1 1 106 106 ILE C C 13 175.586 . . 1 . . 839 . . 982 ILE C . 27627 1 464 . 1 1 106 106 ILE CA C 13 60.175 0.006 . 1 . . 646 . . 982 ILE CA . 27627 1 465 . 1 1 106 106 ILE CB C 13 37.693 0.008 . 1 . . 645 . . 982 ILE CB . 27627 1 466 . 1 1 106 106 ILE N N 15 116.828 0.013 . 1 . . 46 . . 982 ILE N . 27627 1 467 . 1 1 107 107 ASP H H 1 8.797 0.004 . 1 . . 13 . . 983 ASP H . 27627 1 468 . 1 1 107 107 ASP C C 13 176.76 . . 1 . . 840 . . 983 ASP C . 27627 1 469 . 1 1 107 107 ASP CA C 13 52.975 0.004 . 1 . . 387 . . 983 ASP CA . 27627 1 470 . 1 1 107 107 ASP CB C 13 40.423 0.018 . 1 . . 386 . . 983 ASP CB . 27627 1 471 . 1 1 107 107 ASP N N 15 123.764 0.022 . 1 . . 14 . . 983 ASP N . 27627 1 472 . 1 1 108 108 LYS H H 1 8.347 0.002 . 1 . . 118 . . 984 LYS H . 27627 1 473 . 1 1 108 108 LYS C C 13 177.626 . . 1 . . 841 . . 984 LYS C . 27627 1 474 . 1 1 108 108 LYS CA C 13 58.043 0.008 . 1 . . 479 . . 984 LYS CA . 27627 1 475 . 1 1 108 108 LYS CB C 13 31.354 0.054 . 1 . . 480 . . 984 LYS CB . 27627 1 476 . 1 1 108 108 LYS N N 15 124.823 0.01 . 1 . . 119 . . 984 LYS N . 27627 1 477 . 1 1 109 109 GLU H H 1 8.046 0.003 . 1 . . 124 . . 985 GLU H . 27627 1 478 . 1 1 109 109 GLU C C 13 177.448 . . 1 . . 842 . . 985 GLU C . 27627 1 479 . 1 1 109 109 GLU CA C 13 57.358 0.01 . 1 . . 579 . . 985 GLU CA . 27627 1 480 . 1 1 109 109 GLU CB C 13 29.866 0.021 . 1 . . 581 . . 985 GLU CB . 27627 1 481 . 1 1 109 109 GLU N N 15 116.592 0.034 . 1 . . 125 . . 985 GLU N . 27627 1 482 . 1 1 110 110 ASN H H 1 7.408 0.004 . 1 . . 92 . . 986 ASN H . 27627 1 483 . 1 1 110 110 ASN C C 13 173.082 . . 1 . . 843 . . 986 ASN C . 27627 1 484 . 1 1 110 110 ASN CA C 13 52.925 0.016 . 1 . . 669 . . 986 ASN CA . 27627 1 485 . 1 1 110 110 ASN CB C 13 41.299 0.053 . 1 . . 668 . . 986 ASN CB . 27627 1 486 . 1 1 110 110 ASN N N 15 112.88 0.067 . 1 . . 93 . . 986 ASN N . 27627 1 487 . 1 1 111 111 GLU H H 1 8.018 0.004 . 1 . . 301 . . 987 GLU H . 27627 1 488 . 1 1 111 111 GLU C C 13 174.019 . . 1 . . 844 . . 987 GLU C . 27627 1 489 . 1 1 111 111 GLU CA C 13 53.964 0.008 . 1 . . 587 . . 987 GLU CA . 27627 1 490 . 1 1 111 111 GLU CB C 13 34.059 0.03 . 1 . . 586 . . 987 GLU CB . 27627 1 491 . 1 1 111 111 GLU N N 15 118.589 0.039 . 1 . . 302 . . 987 GLU N . 27627 1 492 . 1 1 112 112 MET H H 1 8.013 0.002 . 1 . . 170 . . 988 MET H . 27627 1 493 . 1 1 112 112 MET C C 13 173.366 . . 1 . . 845 . . 988 MET C . 27627 1 494 . 1 1 112 112 MET CA C 13 54.286 0.002 . 1 . . 588 . . 988 MET CA . 27627 1 495 . 1 1 112 112 MET CB C 13 37.017 0.006 . 1 . . 589 . . 988 MET CB . 27627 1 496 . 1 1 112 112 MET N N 15 114.311 0.025 . 1 . . 171 . . 988 MET N . 27627 1 497 . 1 1 113 113 LEU H H 1 8.422 0.002 . 1 . . 195 . . 989 LEU H . 27627 1 498 . 1 1 113 113 LEU C C 13 176.228 . . 1 . . 846 . . 989 LEU C . 27627 1 499 . 1 1 113 113 LEU CA C 13 52.762 0.017 . 1 . . 473 . . 989 LEU CA . 27627 1 500 . 1 1 113 113 LEU CB C 13 40.623 0.055 . 1 . . 472 . . 989 LEU CB . 27627 1 501 . 1 1 113 113 LEU N N 15 119.584 0.019 . 1 . . 196 . . 989 LEU N . 27627 1 502 . 1 1 114 114 VAL H H 1 9.046 0.002 . 1 . . 365 . . 990 VAL H . 27627 1 503 . 1 1 114 114 VAL C C 13 174.484 . . 1 . . 847 . . 990 VAL C . 27627 1 504 . 1 1 114 114 VAL CA C 13 58.653 0.019 . 1 . . 367 . . 990 VAL CA . 27627 1 505 . 1 1 114 114 VAL CB C 13 34.108 0.032 . 1 . . 368 . . 990 VAL CB . 27627 1 506 . 1 1 114 114 VAL N N 15 121.439 0.033 . 1 . . 366 . . 990 VAL N . 27627 1 507 . 1 1 115 115 THR H H 1 8.382 0.002 . 1 . . 31 . . 991 THR H . 27627 1 508 . 1 1 115 115 THR C C 13 173.037 . . 1 . . 967 . . 991 THR C . 27627 1 509 . 1 1 115 115 THR CA C 13 60.654 0.039 . 1 . . 474 . . 991 THR CA . 27627 1 510 . 1 1 115 115 THR CB C 13 69.138 0.014 . 1 . . 475 . . 991 THR CB . 27627 1 511 . 1 1 115 115 THR N N 15 114.753 0.028 . 1 . . 32 . . 991 THR N . 27627 1 512 . 1 1 116 116 VAL H H 1 8.548 0.003 . 1 . . 896 . . 992 VAL H . 27627 1 513 . 1 1 116 116 VAL C C 13 177.048 . . 1 . . 995 . . 992 VAL C . 27627 1 514 . 1 1 116 116 VAL CA C 13 59.074 0.018 . 1 . . 898 . . 992 VAL CA . 27627 1 515 . 1 1 116 116 VAL CB C 13 31.975 0.015 . 1 . . 899 . . 992 VAL CB . 27627 1 516 . 1 1 116 116 VAL N N 15 123.606 0.024 . 1 . . 897 . . 992 VAL N . 27627 1 517 . 1 1 117 117 ALA H H 1 8.63 0.004 . 1 . . 900 . . 993 ALA H . 27627 1 518 . 1 1 117 117 ALA C C 13 174.973 . . 1 . . 848 . . 993 ALA C . 27627 1 519 . 1 1 117 117 ALA CA C 13 50.302 0.009 . 1 . . 902 . . 993 ALA CA . 27627 1 520 . 1 1 117 117 ALA CB C 13 22.559 0.076 . 1 . . 903 . . 993 ALA CB . 27627 1 521 . 1 1 117 117 ALA N N 15 128.207 0.012 . 1 . . 901 . . 993 ALA N . 27627 1 522 . 1 1 118 118 HIS H H 1 8.885 0.004 . 1 . . 41 . . 994 HIS H . 27627 1 523 . 1 1 118 118 HIS C C 13 174.817 . . 1 . . 849 . . 994 HIS C . 27627 1 524 . 1 1 118 118 HIS CA C 13 54.15 0.021 . 1 . . 404 . . 994 HIS CA . 27627 1 525 . 1 1 118 118 HIS CB C 13 29.465 0.026 . 1 . . 403 . . 994 HIS CB . 27627 1 526 . 1 1 118 118 HIS N N 15 121.66 0.037 . 1 . . 42 . . 994 HIS N . 27627 1 527 . 1 1 119 119 PHE H H 1 8.98 0.002 . 1 . . 197 . . 995 PHE H . 27627 1 528 . 1 1 119 119 PHE CA C 13 55.777 . . 1 . . 379 . . 995 PHE CA . 27627 1 529 . 1 1 119 119 PHE CB C 13 40.337 . . 1 . . 380 . . 995 PHE CB . 27627 1 530 . 1 1 119 119 PHE N N 15 117.791 0.029 . 1 . . 198 . . 995 PHE N . 27627 1 531 . 1 1 122 122 GLU C C 13 177.947 . . 1 . . 1028 . . 998 GLU C . 27627 1 532 . 1 1 122 122 GLU CA C 13 53.5 0.013 . 1 . . 582 . . 998 GLU CA . 27627 1 533 . 1 1 122 122 GLU CB C 13 30.869 0.054 . 1 . . 584 . . 998 GLU CB . 27627 1 534 . 1 1 123 123 VAL H H 1 8.026 0.002 . 1 . . 27 . . 999 VAL H . 27627 1 535 . 1 1 123 123 VAL CA C 13 63.603 . . 1 . . 583 . . 999 VAL CA . 27627 1 536 . 1 1 123 123 VAL CB C 13 29.927 . . 1 . . 585 . . 999 VAL CB . 27627 1 537 . 1 1 123 123 VAL N N 15 118.569 0.033 . 1 . . 28 . . 999 VAL N . 27627 1 538 . 1 1 124 124 PHE C C 13 177.429 . . 1 . . 850 . . 1000 PHE C . 27627 1 539 . 1 1 124 124 PHE CA C 13 56.751 0.001 . 1 . . 501 . . 1000 PHE CA . 27627 1 540 . 1 1 124 124 PHE CB C 13 37.502 0.071 . 1 . . 502 . . 1000 PHE CB . 27627 1 541 . 1 1 125 125 GLY H H 1 8.292 0.003 . 1 . . 100 . . 1001 GLY H . 27627 1 542 . 1 1 125 125 GLY C C 13 176.79 . . 1 . . 851 . . 1001 GLY C . 27627 1 543 . 1 1 125 125 GLY CA C 13 46.827 0.011 . 1 . . 663 . . 1001 GLY CA . 27627 1 544 . 1 1 125 125 GLY N N 15 114.853 0.021 . 1 . . 101 . . 1001 GLY N . 27627 1 545 . 1 1 126 126 THR H H 1 7.479 0.002 . 1 . . 130 . . 1002 THR H . 27627 1 546 . 1 1 126 126 THR C C 13 174.919 . . 1 . . 852 . . 1002 THR C . 27627 1 547 . 1 1 126 126 THR CA C 13 60.007 0.011 . 1 . . 664 . . 1002 THR CA . 27627 1 548 . 1 1 126 126 THR CB C 13 70.4 0.032 . 1 . . 662 . . 1002 THR CB . 27627 1 549 . 1 1 126 126 THR N N 15 111.78 0.009 . 1 . . 131 . . 1002 THR N . 27627 1 550 . 1 1 127 127 PHE H H 1 7.689 0.003 . 1 . . 5 . . 1003 PHE H . 27627 1 551 . 1 1 127 127 PHE C C 13 173.606 . . 1 . . 968 . . 1003 PHE C . 27627 1 552 . 1 1 127 127 PHE CA C 13 55.601 0.009 . 1 . . 637 . . 1003 PHE CA . 27627 1 553 . 1 1 127 127 PHE CB C 13 39.634 0.054 . 1 . . 638 . . 1003 PHE CB . 27627 1 554 . 1 1 127 127 PHE N N 15 115.288 0.028 . 1 . . 6 . . 1003 PHE N . 27627 1 555 . 1 1 128 128 GLY H H 1 8.149 0.002 . 1 . . 950 . . 1004 GLY H . 27627 1 556 . 1 1 128 128 GLY C C 13 173.04 . . 1 . . 969 . . 1004 GLY C . 27627 1 557 . 1 1 128 128 GLY CA C 13 44.957 0.009 . 1 . . 955 . . 1004 GLY CA . 27627 1 558 . 1 1 128 128 GLY N N 15 107.31 0.009 . 1 . . 951 . . 1004 GLY N . 27627 1 559 . 1 1 129 129 ILE H H 1 7.79 0.002 . 1 . . 811 . . 1005 ILE H . 27627 1 560 . 1 1 129 129 ILE CA C 13 58.247 . . 1 . . 810 . . 1005 ILE CA . 27627 1 561 . 1 1 129 129 ILE CB C 13 39.001 . . 1 . . 813 . . 1005 ILE CB . 27627 1 562 . 1 1 129 129 ILE N N 15 121.013 0.008 . 1 . . 812 . . 1005 ILE N . 27627 1 563 . 1 1 130 130 PRO C C 13 176.726 . . 1 . . 996 . . 1006 PRO C . 27627 1 564 . 1 1 130 130 PRO CA C 13 62.312 . . 1 . . 906 . . 1006 PRO CA . 27627 1 565 . 1 1 130 130 PRO CB C 13 32.968 . . 1 . . 908 . . 1006 PRO CB . 27627 1 566 . 1 1 131 131 PHE H H 1 8.113 0.003 . 1 . . 904 . . 1007 PHE H . 27627 1 567 . 1 1 131 131 PHE C C 13 172.736 . . 1 . . 853 . . 1007 PHE C . 27627 1 568 . 1 1 131 131 PHE CA C 13 56.432 0.017 . 1 . . 907 . . 1007 PHE CA . 27627 1 569 . 1 1 131 131 PHE CB C 13 39.353 . . 1 . . 909 . . 1007 PHE CB . 27627 1 570 . 1 1 131 131 PHE N N 15 113.344 0.006 . 1 . . 905 . . 1007 PHE N . 27627 1 571 . 1 1 132 132 LEU H H 1 8.938 0.003 . 1 . . 61 . . 1008 LEU H . 27627 1 572 . 1 1 132 132 LEU C C 13 176.46 . . 1 . . 854 . . 1008 LEU C . 27627 1 573 . 1 1 132 132 LEU CA C 13 53.585 0.013 . 1 . . 394 . . 1008 LEU CA . 27627 1 574 . 1 1 132 132 LEU CB C 13 43.157 0.061 . 1 . . 391 . . 1008 LEU CB . 27627 1 575 . 1 1 132 132 LEU N N 15 119.469 0.026 . 1 . . 62 . . 1008 LEU N . 27627 1 576 . 1 1 133 133 LEU H H 1 8.876 0.002 . 1 . . 135 . . 1009 LEU H . 27627 1 577 . 1 1 133 133 LEU C C 13 174.221 . . 1 . . 855 . . 1009 LEU C . 27627 1 578 . 1 1 133 133 LEU CA C 13 52.908 0.013 . 1 . . 570 . . 1009 LEU CA . 27627 1 579 . 1 1 133 133 LEU CB C 13 47.63 0.031 . 1 . . 569 . . 1009 LEU CB . 27627 1 580 . 1 1 133 133 LEU N N 15 123.981 0.027 . 1 . . 136 . . 1009 LEU N . 27627 1 581 . 1 1 134 134 ARG H H 1 8.078 0.002 . 1 . . 253 . . 1010 ARG H . 27627 1 582 . 1 1 134 134 ARG C C 13 174.933 . . 1 . . 970 . . 1010 ARG C . 27627 1 583 . 1 1 134 134 ARG CA C 13 55.481 0.021 . 1 . . 571 . . 1010 ARG CA . 27627 1 584 . 1 1 134 134 ARG CB C 13 31.458 0.035 . 1 . . 568 . . 1010 ARG CB . 27627 1 585 . 1 1 134 134 ARG N N 15 127.96 0.023 . 1 . . 254 . . 1010 ARG N . 27627 1 586 . 1 1 135 135 ILE H H 1 8.451 0.002 . 1 . . 910 . . 1011 ILE H . 27627 1 587 . 1 1 135 135 ILE C C 13 173.377 . . 1 . . 856 . . 1011 ILE C . 27627 1 588 . 1 1 135 135 ILE CA C 13 59.945 0.032 . 1 . . 913 . . 1011 ILE CA . 27627 1 589 . 1 1 135 135 ILE CB C 13 41.136 0.01 . 1 . . 912 . . 1011 ILE CB . 27627 1 590 . 1 1 135 135 ILE N N 15 119.288 0.022 . 1 . . 911 . . 1011 ILE N . 27627 1 591 . 1 1 136 136 HIS H H 1 8.982 0.002 . 1 . . 51 . . 1012 HIS H . 27627 1 592 . 1 1 136 136 HIS C C 13 173.804 . . 1 . . 857 . . 1012 HIS C . 27627 1 593 . 1 1 136 136 HIS CA C 13 53.294 0.013 . 1 . . 419 . . 1012 HIS CA . 27627 1 594 . 1 1 136 136 HIS CB C 13 32.143 0.086 . 1 . . 383 . . 1012 HIS CB . 27627 1 595 . 1 1 136 136 HIS N N 15 122.637 0.018 . 1 . . 52 . . 1012 HIS N . 27627 1 596 . 1 1 137 137 GLN H H 1 8.693 0.003 . 1 . . 199 . . 1013 GLN H . 27627 1 597 . 1 1 137 137 GLN C C 13 177.276 . . 1 . . 858 . . 1013 GLN C . 27627 1 598 . 1 1 137 137 GLN CA C 13 57.353 0.01 . 1 . . 358 . . 1013 GLN CA . 27627 1 599 . 1 1 137 137 GLN CB C 13 27.472 0.094 . 1 . . 418 . . 1013 GLN CB . 27627 1 600 . 1 1 137 137 GLN N N 15 127.541 0.024 . 1 . . 200 . . 1013 GLN N . 27627 1 601 . 1 1 138 138 GLY H H 1 9.27 0.005 . 1 . . 145 . . 1014 GLY H . 27627 1 602 . 1 1 138 138 GLY C C 13 173.757 . . 1 . . 859 . . 1014 GLY C . 27627 1 603 . 1 1 138 138 GLY CA C 13 44.933 0.006 . 1 . . 359 . . 1014 GLY CA . 27627 1 604 . 1 1 138 138 GLY N N 15 117.55 0.039 . 1 . . 146 . . 1014 GLY N . 27627 1 605 . 1 1 139 139 GLU H H 1 7.756 0.003 . 1 . . 733 . . 1015 GLU H . 27627 1 606 . 1 1 139 139 GLU C C 13 175.047 . . 1 . . 860 . . 1015 GLU C . 27627 1 607 . 1 1 139 139 GLU CA C 13 54.868 0.021 . 1 . . 735 . . 1015 GLU CA . 27627 1 608 . 1 1 139 139 GLU CB C 13 29.534 0.044 . 1 . . 736 . . 1015 GLU CB . 27627 1 609 . 1 1 139 139 GLU N N 15 120.8 0.022 . 1 . . 734 . . 1015 GLU N . 27627 1 610 . 1 1 140 140 HIS H H 1 9.009 0.002 . 1 . . 3 . . 1016 HIS H . 27627 1 611 . 1 1 140 140 HIS C C 13 178.062 . . 1 . . 861 . . 1016 HIS C . 27627 1 612 . 1 1 140 140 HIS CA C 13 58.706 0.011 . 1 . . 371 . . 1016 HIS CA . 27627 1 613 . 1 1 140 140 HIS CB C 13 30.147 0.01 . 1 . . 372 . . 1016 HIS CB . 27627 1 614 . 1 1 140 140 HIS N N 15 124.194 0.064 . 1 . . 4 . . 1016 HIS N . 27627 1 615 . 1 1 141 141 PHE H H 1 8.784 0.006 . 1 . . 132 . . 1017 PHE H . 27627 1 616 . 1 1 141 141 PHE CA C 13 62.853 . . 1 . . 409 . . 1017 PHE CA . 27627 1 617 . 1 1 141 141 PHE CB C 13 38.487 . . 1 . . 408 . . 1017 PHE CB . 27627 1 618 . 1 1 141 141 PHE N N 15 129.013 0.014 . 1 . . 133 . . 1017 PHE N . 27627 1 619 . 1 1 142 142 ARG C C 13 180.243 . . 1 . . 971 . . 1018 ARG C . 27627 1 620 . 1 1 142 142 ARG CA C 13 59.255 0.022 . 1 . . 577 . . 1018 ARG CA . 27627 1 621 . 1 1 142 142 ARG CB C 13 28.877 0 . 1 . . 576 . . 1018 ARG CB . 27627 1 622 . 1 1 143 143 GLU H H 1 8.078 0.004 . 1 . . 209 . . 1019 GLU H . 27627 1 623 . 1 1 143 143 GLU C C 13 179.697 . . 1 . . 972 . . 1019 GLU C . 27627 1 624 . 1 1 143 143 GLU CA C 13 57.959 0.008 . 1 . . 940 . . 1019 GLU CA . 27627 1 625 . 1 1 143 143 GLU CB C 13 28.351 0.005 . 1 . . 939 . . 1019 GLU CB . 27627 1 626 . 1 1 143 143 GLU N N 15 118.455 0.025 . 1 . . 210 . . 1019 GLU N . 27627 1 627 . 1 1 144 144 VAL H H 1 6.8 0.003 . 1 . . 937 . . 1020 VAL H . 27627 1 628 . 1 1 144 144 VAL C C 13 178.482 . . 1 . . 973 . . 1020 VAL C . 27627 1 629 . 1 1 144 144 VAL CA C 13 65.278 0.019 . 1 . . 936 . . 1020 VAL CA . 27627 1 630 . 1 1 144 144 VAL CB C 13 29.603 0.019 . 1 . . 943 . . 1020 VAL CB . 27627 1 631 . 1 1 144 144 VAL N N 15 122.384 0.009 . 1 . . 938 . . 1020 VAL N . 27627 1 632 . 1 1 145 145 MET H H 1 7.921 0.002 . 1 . . 934 . . 1021 MET H . 27627 1 633 . 1 1 145 145 MET C C 13 177.423 . . 1 . . 974 . . 1021 MET C . 27627 1 634 . 1 1 145 145 MET CA C 13 59.838 0.046 . 1 . . 687 . . 1021 MET CA . 27627 1 635 . 1 1 145 145 MET CB C 13 33.011 0.007 . 1 . . 688 . . 1021 MET CB . 27627 1 636 . 1 1 145 145 MET N N 15 118.214 0.006 . 1 . . 935 . . 1021 MET N . 27627 1 637 . 1 1 146 146 LYS H H 1 7.284 0.003 . 1 . . 255 . . 1022 LYS H . 27627 1 638 . 1 1 146 146 LYS C C 13 178.832 . . 1 . . 975 . . 1022 LYS C . 27627 1 639 . 1 1 146 146 LYS CA C 13 58.826 0.006 . 1 . . 690 . . 1022 LYS CA . 27627 1 640 . 1 1 146 146 LYS CB C 13 31.389 0.038 . 1 . . 689 . . 1022 LYS CB . 27627 1 641 . 1 1 146 146 LYS N N 15 117.683 0.023 . 1 . . 256 . . 1022 LYS N . 27627 1 642 . 1 1 147 147 ARG H H 1 7.279 0.002 . 1 . . 184 . . 1023 ARG H . 27627 1 643 . 1 1 147 147 ARG C C 13 179.596 . . 1 . . 976 . . 1023 ARG C . 27627 1 644 . 1 1 147 147 ARG CA C 13 59.507 0.003 . 1 . . 941 . . 1023 ARG CA . 27627 1 645 . 1 1 147 147 ARG CB C 13 29.52 0.025 . 1 . . 942 . . 1023 ARG CB . 27627 1 646 . 1 1 147 147 ARG N N 15 121.255 0.019 . 1 . . 185 . . 1023 ARG N . 27627 1 647 . 1 1 148 148 ILE H H 1 8.135 0.003 . 1 . . 932 . . 1024 ILE H . 27627 1 648 . 1 1 148 148 ILE C C 13 176.528 . . 1 . . 862 . . 1024 ILE C . 27627 1 649 . 1 1 148 148 ILE CA C 13 65.667 0.02 . 1 . . 514 . . 1024 ILE CA . 27627 1 650 . 1 1 148 148 ILE CB C 13 37.959 0.027 . 1 . . 515 . . 1024 ILE CB . 27627 1 651 . 1 1 148 148 ILE N N 15 120.367 0.032 . 1 . . 933 . . 1024 ILE N . 27627 1 652 . 1 1 149 149 GLN H H 1 8.256 0.002 . 1 . . 104 . . 1025 GLN H . 27627 1 653 . 1 1 149 149 GLN C C 13 178.362 . . 1 . . 863 . . 1025 GLN C . 27627 1 654 . 1 1 149 149 GLN CA C 13 59.23 0.001 . 1 . . 656 . . 1025 GLN CA . 27627 1 655 . 1 1 149 149 GLN CB C 13 26.495 0.011 . 1 . . 659 . . 1025 GLN CB . 27627 1 656 . 1 1 149 149 GLN N N 15 119.634 0.023 . 1 . . 105 . . 1025 GLN N . 27627 1 657 . 1 1 150 150 SER H H 1 7.529 0.003 . 1 . . 110 . . 1026 SER H . 27627 1 658 . 1 1 150 150 SER C C 13 176.136 . . 1 . . 864 . . 1026 SER C . 27627 1 659 . 1 1 150 150 SER CA C 13 60.38 0.008 . 1 . . 657 . . 1026 SER CA . 27627 1 660 . 1 1 150 150 SER CB C 13 62.893 0.008 . 1 . . 658 . . 1026 SER CB . 27627 1 661 . 1 1 150 150 SER N N 15 111.35 0.03 . 1 . . 111 . . 1026 SER N . 27627 1 662 . 1 1 151 151 LEU H H 1 7.333 0.005 . 1 . . 201 . . 1027 LEU H . 27627 1 663 . 1 1 151 151 LEU C C 13 177.65 . . 1 . . 865 . . 1027 LEU C . 27627 1 664 . 1 1 151 151 LEU CA C 13 56.935 0.008 . 1 . . 682 . . 1027 LEU CA . 27627 1 665 . 1 1 151 151 LEU CB C 13 41.482 . . 1 . . 681 . . 1027 LEU CB . 27627 1 666 . 1 1 151 151 LEU N N 15 123.363 0.038 . 1 . . 202 . . 1027 LEU N . 27627 1 667 . 1 1 152 152 LEU H H 1 7.344 0.004 . 1 . . 141 . . 1028 LEU H . 27627 1 668 . 1 1 152 152 LEU C C 13 176.634 . . 1 . . 866 . . 1028 LEU C . 27627 1 669 . 1 1 152 152 LEU CA C 13 54.468 0.007 . 1 . . 679 . . 1028 LEU CA . 27627 1 670 . 1 1 152 152 LEU CB C 13 41.616 0.063 . 1 . . 680 . . 1028 LEU CB . 27627 1 671 . 1 1 152 152 LEU N N 15 114.186 0.007 . 1 . . 142 . . 1028 LEU N . 27627 1 672 . 1 1 153 153 ASP H H 1 7.696 0.004 . 1 . . 143 . . 1029 ASP H . 27627 1 673 . 1 1 153 153 ASP C C 13 174.679 . . 1 . . 867 . . 1029 ASP C . 27627 1 674 . 1 1 153 153 ASP CA C 13 54.168 0.004 . 1 . . 636 . . 1029 ASP CA . 27627 1 675 . 1 1 153 153 ASP CB C 13 38.844 0.021 . 1 . . 635 . . 1029 ASP CB . 27627 1 676 . 1 1 153 153 ASP N N 15 120.044 0.009 . 1 . . 144 . . 1029 ASP N . 27627 1 677 . 1 1 154 154 ILE H H 1 7.059 0.007 . 1 . . 88 . . 1030 ILE H . 27627 1 678 . 1 1 154 154 ILE C C 13 176.171 . . 1 . . 868 . . 1030 ILE C . 27627 1 679 . 1 1 154 154 ILE CA C 13 59.145 0.011 . 1 . . 699 . . 1030 ILE CA . 27627 1 680 . 1 1 154 154 ILE CB C 13 39.202 0.011 . 1 . . 700 . . 1030 ILE CB . 27627 1 681 . 1 1 154 154 ILE N N 15 116.589 0.042 . 1 . . 89 . . 1030 ILE N . 27627 1 682 . 1 1 155 155 GLN H H 1 8.703 0.003 . 1 . . 126 . . 1031 GLN H . 27627 1 683 . 1 1 155 155 GLN CA C 13 55.92 . . 1 . . 416 . . 1031 GLN CA . 27627 1 684 . 1 1 155 155 GLN CB C 13 28.364 . . 1 . . 417 . . 1031 GLN CB . 27627 1 685 . 1 1 155 155 GLN N N 15 126.24 0.028 . 1 . . 127 . . 1031 GLN N . 27627 1 686 . 1 1 156 156 GLU C C 13 178.044 . . 1 . . 869 . . 1032 GLU C . 27627 1 687 . 1 1 156 156 GLU CA C 13 60.314 0.005 . 1 . . 463 . . 1032 GLU CA . 27627 1 688 . 1 1 156 156 GLU CB C 13 28.925 0.089 . 1 . . 462 . . 1032 GLU CB . 27627 1 689 . 1 1 157 157 LYS H H 1 8.499 0.003 . 1 . . 33 . . 1033 LYS H . 27627 1 690 . 1 1 157 157 LYS C C 13 178.715 . . 1 . . 870 . . 1033 LYS C . 27627 1 691 . 1 1 157 157 LYS CA C 13 58.104 0.029 . 1 . . 807 . . 1033 LYS CA . 27627 1 692 . 1 1 157 157 LYS CB C 13 30.775 0.084 . 1 . . 809 . . 1033 LYS CB . 27627 1 693 . 1 1 157 157 LYS N N 15 116.164 0.028 . 1 . . 34 . . 1033 LYS N . 27627 1 694 . 1 1 158 158 GLU H H 1 7.137 0.003 . 1 . . 102 . . 1034 GLU H . 27627 1 695 . 1 1 158 158 GLU C C 13 179.16 . . 1 . . 871 . . 1034 GLU C . 27627 1 696 . 1 1 158 158 GLU CA C 13 57.696 0.004 . 1 . . 696 . . 1034 GLU CA . 27627 1 697 . 1 1 158 158 GLU CB C 13 29.157 0.043 . 1 . . 695 . . 1034 GLU CB . 27627 1 698 . 1 1 158 158 GLU N N 15 117.518 0.018 . 1 . . 103 . . 1034 GLU N . 27627 1 699 . 1 1 159 159 PHE H H 1 8.26 0.004 . 1 . . 23 . . 1035 PHE H . 27627 1 700 . 1 1 159 159 PHE C C 13 177.893 . . 1 . . 872 . . 1035 PHE C . 27627 1 701 . 1 1 159 159 PHE CA C 13 59.109 0.015 . 1 . . 513 . . 1035 PHE CA . 27627 1 702 . 1 1 159 159 PHE CB C 13 38.201 0.036 . 1 . . 512 . . 1035 PHE CB . 27627 1 703 . 1 1 159 159 PHE N N 15 121.529 0.016 . 1 . . 24 . . 1035 PHE N . 27627 1 704 . 1 1 160 160 GLU H H 1 8.053 0.003 . 1 . . 317 . . 1036 GLU H . 27627 1 705 . 1 1 160 160 GLU C C 13 176.496 . . 1 . . 873 . . 1036 GLU C . 27627 1 706 . 1 1 160 160 GLU CA C 13 57.588 0.007 . 1 . . 578 . . 1036 GLU CA . 27627 1 707 . 1 1 160 160 GLU CB C 13 28.785 0.026 . 1 . . 580 . . 1036 GLU CB . 27627 1 708 . 1 1 160 160 GLU N N 15 116.594 0.016 . 1 . . 318 . . 1036 GLU N . 27627 1 709 . 1 1 161 161 LYS H H 1 7.086 0.004 . 1 . . 166 . . 1037 LYS H . 27627 1 710 . 1 1 161 161 LYS C C 13 177.236 . . 1 . . 977 . . 1037 LYS C . 27627 1 711 . 1 1 161 161 LYS CA C 13 55.298 0.006 . 1 . . 697 . . 1037 LYS CA . 27627 1 712 . 1 1 161 161 LYS CB C 13 31.786 . . 1 . . 698 . . 1037 LYS CB . 27627 1 713 . 1 1 161 161 LYS N N 15 114.916 0.031 . 1 . . 167 . . 1037 LYS N . 27627 1 714 . 1 1 162 162 PHE H H 1 7.799 0.002 . 1 . . 106 . . 1038 PHE H . 27627 1 715 . 1 1 162 162 PHE C C 13 175.189 . . 1 . . 978 . . 1038 PHE C . 27627 1 716 . 1 1 162 162 PHE CA C 13 57.66 0.012 . 1 . . 719 . . 1038 PHE CA . 27627 1 717 . 1 1 162 162 PHE CB C 13 38.37 0.043 . 1 . . 627 . . 1038 PHE CB . 27627 1 718 . 1 1 162 162 PHE N N 15 122.405 0.014 . 1 . . 107 . . 1038 PHE N . 27627 1 719 . 1 1 163 163 LYS H H 1 7.8 0.002 . 1 . . 742 . . 1039 LYS H . 27627 1 720 . 1 1 163 163 LYS C C 13 174.394 . . 1 . . 979 . . 1039 LYS C . 27627 1 721 . 1 1 163 163 LYS CA C 13 54.252 0.007 . 1 . . 745 . . 1039 LYS CA . 27627 1 722 . 1 1 163 163 LYS CB C 13 34.871 0.062 . 1 . . 744 . . 1039 LYS CB . 27627 1 723 . 1 1 163 163 LYS N N 15 117.91 0.02 . 1 . . 743 . . 1039 LYS N . 27627 1 724 . 1 1 164 164 PHE H H 1 9.283 0.003 . 1 . . 122 . . 1040 PHE H . 27627 1 725 . 1 1 164 164 PHE C C 13 174.359 . . 1 . . 980 . . 1040 PHE C . 27627 1 726 . 1 1 164 164 PHE CA C 13 56.419 0.015 . 1 . . 718 . . 1040 PHE CA . 27627 1 727 . 1 1 164 164 PHE CB C 13 42.66 0.074 . 1 . . 357 . . 1040 PHE CB . 27627 1 728 . 1 1 164 164 PHE N N 15 118.652 0.025 . 1 . . 123 . . 1040 PHE N . 27627 1 729 . 1 1 165 165 ALA H H 1 9.36 0.003 . 1 . . 914 . . 1041 ALA H . 27627 1 730 . 1 1 165 165 ALA C C 13 175.387 . . 1 . . 981 . . 1041 ALA C . 27627 1 731 . 1 1 165 165 ALA CA C 13 49.547 0.007 . 1 . . 922 . . 1041 ALA CA . 27627 1 732 . 1 1 165 165 ALA CB C 13 21.583 0.025 . 1 . . 923 . . 1041 ALA CB . 27627 1 733 . 1 1 165 165 ALA N N 15 124.67 0.008 . 1 . . 915 . . 1041 ALA N . 27627 1 734 . 1 1 166 166 ILE H H 1 8.373 0.002 . 1 . . 916 . . 1042 ILE H . 27627 1 735 . 1 1 166 166 ILE C C 13 175.375 . . 1 . . 982 . . 1042 ILE C . 27627 1 736 . 1 1 166 166 ILE CA C 13 61.623 0.021 . 1 . . 924 . . 1042 ILE CA . 27627 1 737 . 1 1 166 166 ILE CB C 13 37.742 0.064 . 1 . . 925 . . 1042 ILE CB . 27627 1 738 . 1 1 166 166 ILE N N 15 121.306 0.006 . 1 . . 917 . . 1042 ILE N . 27627 1 739 . 1 1 167 167 VAL H H 1 8.814 0.004 . 1 . . 918 . . 1043 VAL H . 27627 1 740 . 1 1 167 167 VAL C C 13 174.657 . . 1 . . 1004 . . 1043 VAL C . 27627 1 741 . 1 1 167 167 VAL CA C 13 62.134 0.024 . 1 . . 926 . . 1043 VAL CA . 27627 1 742 . 1 1 167 167 VAL CB C 13 29.747 0.01 . 1 . . 927 . . 1043 VAL CB . 27627 1 743 . 1 1 167 167 VAL N N 15 130.24 0.007 . 1 . . 919 . . 1043 VAL N . 27627 1 744 . 1 1 168 168 MET H H 1 7.945 0.003 . 1 . . 17 . . 1044 MET H . 27627 1 745 . 1 1 168 168 MET CA C 13 53.816 . . 1 . . 605 . . 1044 MET CA . 27627 1 746 . 1 1 168 168 MET CB C 13 34.134 . . 1 . . 606 . . 1044 MET CB . 27627 1 747 . 1 1 168 168 MET N N 15 124.857 0.016 . 1 . . 18 . . 1044 MET N . 27627 1 748 . 1 1 170 170 GLY C C 13 173.131 . . 1 . . 874 . . 1046 GLY C . 27627 1 749 . 1 1 170 170 GLY CA C 13 45.181 0.005 . 1 . . 478 . . 1046 GLY CA . 27627 1 750 . 1 1 171 171 ARG H H 1 7.293 0.003 . 1 . . 257 . . 1047 ARG H . 27627 1 751 . 1 1 171 171 ARG C C 13 173.016 . . 1 . . 875 . . 1047 ARG C . 27627 1 752 . 1 1 171 171 ARG CA C 13 55.004 0.005 . 1 . . 685 . . 1047 ARG CA . 27627 1 753 . 1 1 171 171 ARG CB C 13 31.284 0.014 . 1 . . 686 . . 1047 ARG CB . 27627 1 754 . 1 1 171 171 ARG N N 15 118.001 0.024 . 1 . . 684 . . 1047 ARG N . 27627 1 755 . 1 1 172 172 HIS H H 1 7.896 0.003 . 1 . . 212 . . 1048 HIS H . 27627 1 756 . 1 1 172 172 HIS C C 13 173.054 . . 1 . . 876 . . 1048 HIS C . 27627 1 757 . 1 1 172 172 HIS CA C 13 54.337 0.041 . 1 . . 619 . . 1048 HIS CA . 27627 1 758 . 1 1 172 172 HIS CB C 13 33.403 0.068 . 1 . . 620 . . 1048 HIS CB . 27627 1 759 . 1 1 172 172 HIS N N 15 117.255 0.022 . 1 . . 213 . . 1048 HIS N . 27627 1 760 . 1 1 173 173 GLN H H 1 8.203 0.003 . 1 . . 309 . . 1049 GLN H . 27627 1 761 . 1 1 173 173 GLN C C 13 175.236 . . 1 . . 877 . . 1049 GLN C . 27627 1 762 . 1 1 173 173 GLN CA C 13 53.236 0.008 . 1 . . 516 . . 1049 GLN CA . 27627 1 763 . 1 1 173 173 GLN CB C 13 31.255 0.044 . 1 . . 802 . . 1049 GLN CB . 27627 1 764 . 1 1 173 173 GLN N N 15 120.63 0.035 . 1 . . 310 . . 1049 GLN N . 27627 1 765 . 1 1 174 174 TYR H H 1 8.922 0.002 . 1 . . 69 . . 1050 TYR H . 27627 1 766 . 1 1 174 174 TYR C C 13 176.513 . . 1 . . 405 . . 1050 TYR C . 27627 1 767 . 1 1 174 174 TYR CA C 13 60.012 0.008 . 1 . . 400 . . 1050 TYR CA . 27627 1 768 . 1 1 174 174 TYR CB C 13 37.869 0.105 . 1 . . 401 . . 1050 TYR CB . 27627 1 769 . 1 1 174 174 TYR N N 15 125.218 0.03 . 1 . . 70 . . 1050 TYR N . 27627 1 770 . 1 1 175 175 ILE H H 1 8.818 0.002 . 1 . . 49 . . 1051 ILE H . 27627 1 771 . 1 1 175 175 ILE C C 13 175.582 . . 1 . . 879 . . 1051 ILE C . 27627 1 772 . 1 1 175 175 ILE CA C 13 60.051 0.026 . 1 . . 878 . . 1051 ILE CA . 27627 1 773 . 1 1 175 175 ILE CB C 13 39.688 0.017 . 1 . . 402 . . 1051 ILE CB . 27627 1 774 . 1 1 175 175 ILE N N 15 124.778 0.027 . 1 . . 50 . . 1051 ILE N . 27627 1 775 . 1 1 176 176 ASN H H 1 8.586 0.003 . 1 . . 270 . . 1052 ASN H . 27627 1 776 . 1 1 176 176 ASN C C 13 175.08 . . 1 . . 880 . . 1052 ASN C . 27627 1 777 . 1 1 176 176 ASN CA C 13 52.147 0.01 . 1 . . 428 . . 1052 ASN CA . 27627 1 778 . 1 1 176 176 ASN CB C 13 36.57 0.015 . 1 . . 429 . . 1052 ASN CB . 27627 1 779 . 1 1 176 176 ASN N N 15 125.071 0.015 . 1 . . 271 . . 1052 ASN N . 27627 1 780 . 1 1 177 177 GLU H H 1 9.875 0.003 . 1 . . 29 . . 1053 GLU H . 27627 1 781 . 1 1 177 177 GLU C C 13 175.556 . . 1 . . 983 . . 1053 GLU C . 27627 1 782 . 1 1 177 177 GLU CA C 13 59.342 0.008 . 1 . . 349 . . 1053 GLU CA . 27627 1 783 . 1 1 177 177 GLU CB C 13 28.514 0.003 . 1 . . 350 . . 1053 GLU CB . 27627 1 784 . 1 1 177 177 GLU N N 15 128.03 0.008 . 1 . . 30 . . 1053 GLU N . 27627 1 785 . 1 1 178 178 ASP H H 1 7.858 0.003 . 1 . . 264 . . 1054 ASP H . 27627 1 786 . 1 1 178 178 ASP C C 13 177.455 . . 1 . . 881 . . 1054 ASP C . 27627 1 787 . 1 1 178 178 ASP CA C 13 55.491 0.027 . 1 . . 928 . . 1054 ASP CA . 27627 1 788 . 1 1 178 178 ASP CB C 13 41.491 0.114 . 1 . . 667 . . 1054 ASP CB . 27627 1 789 . 1 1 178 178 ASP N N 15 113.716 0.005 . 1 . . 265 . . 1054 ASP N . 27627 1 790 . 1 1 179 179 GLU H H 1 7.414 0.001 . 1 . . 55 . . 1055 GLU H . 27627 1 791 . 1 1 179 179 GLU C C 13 176.247 . . 1 . . 882 . . 1055 GLU C . 27627 1 792 . 1 1 179 179 GLU CA C 13 55.917 0.011 . 1 . . 595 . . 1055 GLU CA . 27627 1 793 . 1 1 179 179 GLU CB C 13 32.87 0.094 . 1 . . 599 . . 1055 GLU CB . 27627 1 794 . 1 1 179 179 GLU N N 15 117.481 0.033 . 1 . . 56 . . 1055 GLU N . 27627 1 795 . 1 1 180 180 TYR H H 1 7.989 0.003 . 1 . . 220 . . 1056 TYR H . 27627 1 796 . 1 1 180 180 TYR C C 13 173.267 . . 1 . . 883 . . 1056 TYR C . 27627 1 797 . 1 1 180 180 TYR CA C 13 59.703 0.008 . 1 . . 596 . . 1056 TYR CA . 27627 1 798 . 1 1 180 180 TYR CB C 13 38.378 0.045 . 1 . . 598 . . 1056 TYR CB . 27627 1 799 . 1 1 180 180 TYR N N 15 121.191 0.02 . 1 . . 221 . . 1056 TYR N . 27627 1 800 . 1 1 181 181 GLU H H 1 6.879 0.006 . 1 . . 186 . . 1057 GLU H . 27627 1 801 . 1 1 181 181 GLU C C 13 174.651 . . 1 . . 884 . . 1057 GLU C . 27627 1 802 . 1 1 181 181 GLU CA C 13 52.965 0.02 . 1 . . 707 . . 1057 GLU CA . 27627 1 803 . 1 1 181 181 GLU CB C 13 30.429 0.01 . 1 . . 706 . . 1057 GLU CB . 27627 1 804 . 1 1 181 181 GLU N N 15 126.68 0.04 . 1 . . 705 . . 1057 GLU N . 27627 1 805 . 1 1 182 182 VAL H H 1 8.638 0.002 . 1 . . 251 . . 1058 VAL H . 27627 1 806 . 1 1 182 182 VAL C C 13 176.294 . . 1 . . 885 . . 1058 VAL C . 27627 1 807 . 1 1 182 182 VAL CA C 13 64.991 0.011 . 1 . . 420 . . 1058 VAL CA . 27627 1 808 . 1 1 182 182 VAL CB C 13 31.041 0.012 . 1 . . 421 . . 1058 VAL CB . 27627 1 809 . 1 1 182 182 VAL N N 15 120.293 0.014 . 1 . . 252 . . 1058 VAL N . 27627 1 810 . 1 1 183 183 ASN H H 1 7.682 0.002 . 1 . . 244 . . 1059 ASN H . 27627 1 811 . 1 1 183 183 ASN C C 13 176.871 . . 1 . . 886 . . 1059 ASN C . 27627 1 812 . 1 1 183 183 ASN CA C 13 50.353 0.01 . 1 . . 640 . . 1059 ASN CA . 27627 1 813 . 1 1 183 183 ASN CB C 13 38.682 0.064 . 1 . . 639 . . 1059 ASN CB . 27627 1 814 . 1 1 183 183 ASN N N 15 128.12 0.013 . 1 . . 245 . . 1059 ASN N . 27627 1 815 . 1 1 184 184 LEU H H 1 9.44 0.002 . 1 . . 155 . . 1060 LEU H . 27627 1 816 . 1 1 184 184 LEU C C 13 179.373 . . 1 . . 984 . . 1060 LEU C . 27627 1 817 . 1 1 184 184 LEU CA C 13 58.193 0.002 . 1 . . 808 . . 1060 LEU CA . 27627 1 818 . 1 1 184 184 LEU CB C 13 39.031 0.05 . 1 . . 720 . . 1060 LEU CB . 27627 1 819 . 1 1 184 184 LEU N N 15 125.769 0.01 . 1 . . 156 . . 1060 LEU N . 27627 1 820 . 1 1 185 185 LYS H H 1 7.796 0.003 . 1 . . 249 . . 1061 LYS H . 27627 1 821 . 1 1 185 185 LYS C C 13 178.846 . . 1 . . 985 . . 1061 LYS C . 27627 1 822 . 1 1 185 185 LYS CA C 13 58.024 0.041 . 1 . . 931 . . 1061 LYS CA . 27627 1 823 . 1 1 185 185 LYS CB C 13 30.931 0.012 . 1 . . 628 . . 1061 LYS CB . 27627 1 824 . 1 1 185 185 LYS N N 15 115.893 0.037 . 1 . . 250 . . 1061 LYS N . 27627 1 825 . 1 1 186 186 ASP H H 1 7.848 0.002 . 1 . . 75 . . 1062 ASP H . 27627 1 826 . 1 1 186 186 ASP C C 13 175.631 . . 1 . . 986 . . 1062 ASP C . 27627 1 827 . 1 1 186 186 ASP CA C 13 56.046 0.003 . 1 . . 727 . . 1062 ASP CA . 27627 1 828 . 1 1 186 186 ASP CB C 13 39.387 . . 1 . . 728 . . 1062 ASP CB . 27627 1 829 . 1 1 186 186 ASP N N 15 118.456 0.049 . 1 . . 76 . . 1062 ASP N . 27627 1 830 . 1 1 187 187 PHE H H 1 7.539 0.003 . 1 . . 920 . . 1063 PHE H . 27627 1 831 . 1 1 187 187 PHE C C 13 174.519 . . 1 . . 987 . . 1063 PHE C . 27627 1 832 . 1 1 187 187 PHE CA C 13 56.948 0.006 . 1 . . 929 . . 1063 PHE CA . 27627 1 833 . 1 1 187 187 PHE CB C 13 39.486 0.031 . 1 . . 930 . . 1063 PHE CB . 27627 1 834 . 1 1 187 187 PHE N N 15 114.129 0.01 . 1 . . 921 . . 1063 PHE N . 27627 1 835 . 1 1 188 188 GLU H H 1 7.06 0.002 . 1 . . 79 . . 1064 GLU H . 27627 1 836 . 1 1 188 188 GLU CA C 13 53.953 . . 1 . . 701 . . 1064 GLU CA . 27627 1 837 . 1 1 188 188 GLU CB C 13 29.674 . . 1 . . 702 . . 1064 GLU CB . 27627 1 838 . 1 1 188 188 GLU N N 15 121.181 0.022 . 1 . . 80 . . 1064 GLU N . 27627 1 839 . 1 1 191 191 PRO C C 13 176.634 . . 1 . . 1005 . . 1067 PRO C . 27627 1 840 . 1 1 191 191 PRO CA C 13 62.863 0.002 . 1 . . 818 . . 1067 PRO CA . 27627 1 841 . 1 1 191 191 PRO CB C 13 32.963 0.028 . 1 . . 816 . . 1067 PRO CB . 27627 1 842 . 1 1 192 192 GLY H H 1 8.389 0.003 . 1 . . 814 . . 1068 GLY H . 27627 1 843 . 1 1 192 192 GLY C C 13 173.904 . . 1 . . 1013 . . 1068 GLY C . 27627 1 844 . 1 1 192 192 GLY CA C 13 45.03 0.011 . 1 . . 817 . . 1068 GLY CA . 27627 1 845 . 1 1 192 192 GLY N N 15 111.388 0.013 . 1 . . 815 . . 1068 GLY N . 27627 1 846 . 1 1 193 193 ASN H H 1 8.21 0.004 . 1 . . 176 . . 1069 ASN H . 27627 1 847 . 1 1 193 193 ASN CA C 13 55.897 . . 1 . . 521 . . 1069 ASN CA . 27627 1 848 . 1 1 193 193 ASN N N 15 121.097 0.011 . 1 . . 177 . . 1069 ASN N . 27627 1 849 . 1 1 199 199 PRO C C 13 174.853 . . 1 . . 1022 . . 1075 PRO C . 27627 1 850 . 1 1 199 199 PRO CA C 13 63.02 . . 1 . . 1011 . . 1075 PRO CA . 27627 1 851 . 1 1 199 199 PRO CB C 13 32.331 0.031 . 1 . . 1021 . . 1075 PRO CB . 27627 1 852 . 1 1 200 200 TRP H H 1 8.266 0.002 . 1 . . 1009 . . 1076 TRP H . 27627 1 853 . 1 1 200 200 TRP C C 13 173.295 . . 1 . . 1017 . . 1076 TRP C . 27627 1 854 . 1 1 200 200 TRP CA C 13 53.277 0.013 . 1 . . 1012 . . 1076 TRP CA . 27627 1 855 . 1 1 200 200 TRP CB C 13 31.509 0.051 . 1 . . 1020 . . 1076 TRP CB . 27627 1 856 . 1 1 200 200 TRP N N 15 118.463 0.005 . 1 . . 1010 . . 1076 TRP N . 27627 1 857 . 1 1 201 201 LEU H H 1 8.766 0.004 . 1 . . 1014 . . 1077 LEU H . 27627 1 858 . 1 1 201 201 LEU C C 13 174.182 . . 1 . . 988 . . 1077 LEU C . 27627 1 859 . 1 1 201 201 LEU CA C 13 53.344 0.002 . 1 . . 1018 . . 1077 LEU CA . 27627 1 860 . 1 1 201 201 LEU CB C 13 43.208 0.001 . 1 . . 1016 . . 1077 LEU CB . 27627 1 861 . 1 1 201 201 LEU N N 15 122.048 0.05 . 1 . . 1015 . . 1077 LEU N . 27627 1 862 . 1 1 202 202 GLY H H 1 9.916 0.004 . 1 . . 946 . . 1078 GLY H . 27627 1 863 . 1 1 202 202 GLY C C 13 172.053 . . 1 . . 989 . . 1078 GLY C . 27627 1 864 . 1 1 202 202 GLY CA C 13 44.63 0.008 . 1 . . 952 . . 1078 GLY CA . 27627 1 865 . 1 1 202 202 GLY N N 15 114.67 0.012 . 1 . . 947 . . 1078 GLY N . 27627 1 866 . 1 1 203 203 LEU H H 1 8.898 0.002 . 1 . . 84 . . 1079 LEU H . 27627 1 867 . 1 1 203 203 LEU C C 13 173.457 . . 1 . . 990 . . 1079 LEU C . 27627 1 868 . 1 1 203 203 LEU CA C 13 51.905 0.005 . 1 . . 399 . . 1079 LEU CA . 27627 1 869 . 1 1 203 203 LEU CB C 13 40.129 0.001 . 1 . . 956 . . 1079 LEU CB . 27627 1 870 . 1 1 203 203 LEU N N 15 124.975 0.024 . 1 . . 85 . . 1079 LEU N . 27627 1 871 . 1 1 204 204 ASP H H 1 8.291 0.001 . 1 . . 957 . . 1080 ASP H . 27627 1 872 . 1 1 204 204 ASP C C 13 177.749 . . 1 . . 991 . . 1080 ASP C . 27627 1 873 . 1 1 204 204 ASP CA C 13 50.869 0.01 . 1 . . 960 . . 1080 ASP CA . 27627 1 874 . 1 1 204 204 ASP CB C 13 41.283 0.028 . 1 . . 959 . . 1080 ASP CB . 27627 1 875 . 1 1 204 204 ASP N N 15 125.164 0.004 . 1 . . 958 . . 1080 ASP N . 27627 1 876 . 1 1 205 205 HIS H H 1 8.985 0.005 . 1 . . 258 . . 1081 HIS H . 27627 1 877 . 1 1 205 205 HIS CA C 13 54.082 . . 1 . . 375 . . 1081 HIS CA . 27627 1 878 . 1 1 205 205 HIS CB C 13 28.593 . . 1 . . 376 . . 1081 HIS CB . 27627 1 879 . 1 1 205 205 HIS N N 15 121.962 0.008 . 1 . . 259 . . 1081 HIS N . 27627 1 880 . 1 1 207 207 ASN C C 13 173.803 . . 1 . . 887 . . 1083 ASN C . 27627 1 881 . 1 1 207 207 ASN CA C 13 51.489 0.006 . 1 . . 649 . . 1083 ASN CA . 27627 1 882 . 1 1 207 207 ASN CB C 13 36.023 0.014 . 1 . . 650 . . 1083 ASN CB . 27627 1 883 . 1 1 208 208 LYS H H 1 7.607 0.002 . 1 . . 647 . . 1084 LYS H . 27627 1 884 . 1 1 208 208 LYS C C 13 175.587 . . 1 . . 888 . . 1084 LYS C . 27627 1 885 . 1 1 208 208 LYS CA C 13 55.616 0.009 . 1 . . 631 . . 1084 LYS CA . 27627 1 886 . 1 1 208 208 LYS CB C 13 32.047 0.013 . 1 . . 630 . . 1084 LYS CB . 27627 1 887 . 1 1 208 208 LYS N N 15 124.364 0.025 . 1 . . 648 . . 1084 LYS N . 27627 1 888 . 1 1 209 209 ALA H H 1 7.733 0.008 . 1 . . 282 . . 1085 ALA H . 27627 1 889 . 1 1 209 209 ALA CA C 13 50.167 . . 1 . . 632 . . 1085 ALA CA . 27627 1 890 . 1 1 209 209 ALA CB C 13 17.424 . . 1 . . 629 . . 1085 ALA CB . 27627 1 891 . 1 1 209 209 ALA N N 15 125.97 0.077 . 1 . . 283 . . 1085 ALA N . 27627 1 892 . 1 1 216 216 THR C C 13 174.032 . . 1 . . 889 . . 1092 THR C . 27627 1 893 . 1 1 216 216 THR CA C 13 61.669 0.01 . 1 . . 562 . . 1092 THR CA . 27627 1 894 . 1 1 216 216 THR CB C 13 69.11 0.113 . 1 . . 563 . . 1092 THR CB . 27627 1 895 . 1 1 217 217 TYR H H 1 7.993 0.007 . 1 . . 560 . . 1093 TYR H . 27627 1 896 . 1 1 217 217 TYR C C 13 175.418 . . 1 . . 801 . . 1093 TYR C . 27627 1 897 . 1 1 217 217 TYR CA C 13 57.787 0.002 . 1 . . 626 . . 1093 TYR CA . 27627 1 898 . 1 1 217 217 TYR CB C 13 37.897 0.011 . 1 . . 625 . . 1093 TYR CB . 27627 1 899 . 1 1 217 217 TYR N N 15 122.616 0.023 . 1 . . 561 . . 1093 TYR N . 27627 1 900 . 1 1 218 218 LEU H H 1 7.85 0.002 . 1 . . 623 . . 1094 LEU H . 27627 1 901 . 1 1 218 218 LEU C C 13 176.481 . . 1 . . 800 . . 1094 LEU C . 27627 1 902 . 1 1 218 218 LEU CA C 13 54.654 0.003 . 1 . . 731 . . 1094 LEU CA . 27627 1 903 . 1 1 218 218 LEU CB C 13 41.572 0.037 . 1 . . 732 . . 1094 LEU CB . 27627 1 904 . 1 1 218 218 LEU N N 15 124.134 0 . 1 . . 624 . . 1094 LEU N . 27627 1 905 . 1 1 219 219 GLU H H 1 8.078 0.003 . 1 . . 729 . . 1095 GLU H . 27627 1 906 . 1 1 219 219 GLU C C 13 176.923 . . 1 . . 890 . . 1095 GLU C . 27627 1 907 . 1 1 219 219 GLU CA C 13 56.38 0.017 . 1 . . 566 . . 1095 GLU CA . 27627 1 908 . 1 1 219 219 GLU CB C 13 29.507 0.096 . 1 . . 567 . . 1095 GLU CB . 27627 1 909 . 1 1 219 219 GLU N N 15 122.258 0.055 . 1 . . 730 . . 1095 GLU N . 27627 1 910 . 1 1 220 220 LYS H H 1 8.084 0.004 . 1 . . 564 . . 1096 LYS H . 27627 1 911 . 1 1 220 220 LYS C C 13 176.183 . . 1 . . 794 . . 1096 LYS C . 27627 1 912 . 1 1 220 220 LYS CA C 13 55.876 0.01 . 1 . . 550 . . 1096 LYS CA . 27627 1 913 . 1 1 220 220 LYS CB C 13 32.147 0.037 . 1 . . 552 . . 1096 LYS CB . 27627 1 914 . 1 1 220 220 LYS N N 15 122.169 0.029 . 1 . . 565 . . 1096 LYS N . 27627 1 915 . 1 1 221 221 ALA H H 1 8.086 0.003 . 1 . . 548 . . 1097 ALA H . 27627 1 916 . 1 1 221 221 ALA C C 13 177.522 . . 1 . . 795 . . 1097 ALA C . 27627 1 917 . 1 1 221 221 ALA CA C 13 52.034 0.002 . 1 . . 551 . . 1097 ALA CA . 27627 1 918 . 1 1 221 221 ALA CB C 13 18.447 0.023 . 1 . . 553 . . 1097 ALA CB . 27627 1 919 . 1 1 221 221 ALA N N 15 125.13 0.037 . 1 . . 549 . . 1097 ALA N . 27627 1 920 . 1 1 222 222 ILE H H 1 7.914 0.002 . 1 . . 607 . . 1098 ILE H . 27627 1 921 . 1 1 222 222 ILE C C 13 176.042 . . 1 . . 796 . . 1098 ILE C . 27627 1 922 . 1 1 222 222 ILE CA C 13 60.597 0.002 . 1 . . 609 . . 1098 ILE CA . 27627 1 923 . 1 1 222 222 ILE CB C 13 37.978 0.007 . 1 . . 610 . . 1098 ILE CB . 27627 1 924 . 1 1 222 222 ILE N N 15 120.618 0.016 . 1 . . 608 . . 1098 ILE N . 27627 1 925 . 1 1 223 223 LYS H H 1 8.193 0.002 . 1 . . 526 . . 1099 LYS H . 27627 1 926 . 1 1 223 223 LYS C C 13 175.989 . . 1 . . 797 . . 1099 LYS C . 27627 1 927 . 1 1 223 223 LYS CA C 13 55.559 0.013 . 1 . . 528 . . 1099 LYS CA . 27627 1 928 . 1 1 223 223 LYS CB C 13 32.243 0.026 . 1 . . 529 . . 1099 LYS CB . 27627 1 929 . 1 1 223 223 LYS N N 15 126.161 0.022 . 1 . . 527 . . 1099 LYS N . 27627 1 930 . 1 1 224 224 ILE H H 1 8.029 0.002 . 1 . . 128 . . 1100 ILE H . 27627 1 931 . 1 1 224 224 ILE C C 13 175.774 . . 1 . . 798 . . 1100 ILE C . 27627 1 932 . 1 1 224 224 ILE CA C 13 60.584 0.009 . 1 . . 559 . . 1100 ILE CA . 27627 1 933 . 1 1 224 224 ILE CB C 13 37.96 0.033 . 1 . . 558 . . 1100 ILE CB . 27627 1 934 . 1 1 224 224 ILE N N 15 123.051 0.027 . 1 . . 129 . . 1100 ILE N . 27627 1 935 . 1 1 225 225 HIS H H 1 8.163 0.005 . 1 . . 537 . . 1101 HIS H . 27627 1 936 . 1 1 225 225 HIS C C 13 174.037 . . 1 . . 799 . . 1101 HIS C . 27627 1 937 . 1 1 225 225 HIS CA C 13 55.418 0.003 . 1 . . 603 . . 1101 HIS CA . 27627 1 938 . 1 1 225 225 HIS CB C 13 30.205 0.046 . 1 . . 601 . . 1101 HIS CB . 27627 1 939 . 1 1 225 225 HIS N N 15 123.749 0.054 . 1 . . 538 . . 1101 HIS N . 27627 1 940 . 1 1 226 226 ASN H H 1 7.978 0.005 . 1 . . 67 . . 1102 ASN H . 27627 1 941 . 1 1 226 226 ASN CA C 13 54.507 . . 1 . . 604 . . 1102 ASN CA . 27627 1 942 . 1 1 226 226 ASN CB C 13 39.721 . . 1 . . 602 . . 1102 ASN CB . 27627 1 943 . 1 1 226 226 ASN N N 15 126.232 0.021 . 1 . . 68 . . 1102 ASN N . 27627 1 stop_ save_