data_50945 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50945 _Entry.Title ; Metallo-b-lactamase inhibitor phosphonamidate monoesters ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-19 _Entry.Accession_date 2021-05-19 _Entry.Last_release_date 2021-05-19 _Entry.Original_release_date 2021-05-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Katarzyna Palica . . . . 50945 2 Manuela Voracova . . . . 50945 3 Susann Skagseth . . . . 50945 4 Anna 'Andersson Rasmussen' . . . . 50945 5 Hanna-Kirsti 'Schroder Leiros' . . . . 50945 6 Hanna Andersson . . . . 50945 7 Mate Erdelyi . . . . 50945 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50945 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 648 50945 '15N chemical shifts' 206 50945 '1H chemical shifts' 206 50945 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-03-02 . original BMRB . 50945 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50945 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35155946 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Metallo-b-lactamase inhibitor phosphonamidate monoesters ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'ACS Omega' _Citation.Journal_name_full 'ACS omega' _Citation.Journal_volume 7 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2470-1343 _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 4550 _Citation.Page_last 4562 _Citation.Year 2022 _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 Katarzyna Palica K. . . . 50945 1 2 Manuela Voracova M. . . . 50945 1 3 Susann Skagseth S. . . . 50945 1 4 Anna 'Andersson Rasmussen' A. . . . 50945 1 5 Lisa Allander L. . . . 50945 1 6 Madlen Hubert M. . . . 50945 1 7 Linus Sandegren L. . . . 50945 1 8 Hanna-Kirstirep 'Schroder Leiros' H. K. . . 50945 1 9 Hanna Andersson H. . . . 50945 1 10 Mate Erdelyi M. . . . 50945 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50945 _Assembly.ID 1 _Assembly.Name NDM-1 _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 no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NDM-1 1 $entity_1 . . yes native no no . . . 50945 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50945 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GQQMETGDQRFGDLVFRQLA PNVWQHTSYLDMPGFGAVAS NGLIVRDGGRVLVVDTAWTD DQTAQILNWIKQEINLPVAL AVVTHAHQDKMGGMDALHAA GIATYANALSNQLAPQEGMV AAQHSLTFAANGWVEPATAP NFGPLKVFYPGPGHTSDNIT VGIDGTDIAFGGCLIKDSKA KSLGNLGDADTEHYAASARA FGAAFPKASMIVMSHSAPDS RAAITHTARMADKLR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 235 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 36 GLY . 50945 1 2 37 GLN . 50945 1 3 38 GLN . 50945 1 4 39 MET . 50945 1 5 40 GLU . 50945 1 6 41 THR . 50945 1 7 42 GLY . 50945 1 8 43 ASP . 50945 1 9 44 GLN . 50945 1 10 45 ARG . 50945 1 11 46 PHE . 50945 1 12 47 GLY . 50945 1 13 48 ASP . 50945 1 14 49 LEU . 50945 1 15 50 VAL . 50945 1 16 51 PHE . 50945 1 17 52 ARG . 50945 1 18 53 GLN . 50945 1 19 54 LEU . 50945 1 20 55 ALA . 50945 1 21 56 PRO . 50945 1 22 57 ASN . 50945 1 23 58 VAL . 50945 1 24 59 TRP . 50945 1 25 60 GLN . 50945 1 26 61 HIS . 50945 1 27 62 THR . 50945 1 28 63 SER . 50945 1 29 64 TYR . 50945 1 30 65 LEU . 50945 1 31 66 ASP . 50945 1 32 67 MET . 50945 1 33 68 PRO . 50945 1 34 69 GLY . 50945 1 35 70 PHE . 50945 1 36 71 GLY . 50945 1 37 72 ALA . 50945 1 38 73 VAL . 50945 1 39 74 ALA . 50945 1 40 75 SER . 50945 1 41 76 ASN . 50945 1 42 77 GLY . 50945 1 43 78 LEU . 50945 1 44 79 ILE . 50945 1 45 80 VAL . 50945 1 46 81 ARG . 50945 1 47 82 ASP . 50945 1 48 83 GLY . 50945 1 49 84 GLY . 50945 1 50 85 ARG . 50945 1 51 86 VAL . 50945 1 52 87 LEU . 50945 1 53 88 VAL . 50945 1 54 89 VAL . 50945 1 55 90 ASP . 50945 1 56 91 THR . 50945 1 57 92 ALA . 50945 1 58 93 TRP . 50945 1 59 94 THR . 50945 1 60 95 ASP . 50945 1 61 96 ASP . 50945 1 62 97 GLN . 50945 1 63 98 THR . 50945 1 64 99 ALA . 50945 1 65 100 GLN . 50945 1 66 101 ILE . 50945 1 67 102 LEU . 50945 1 68 103 ASN . 50945 1 69 104 TRP . 50945 1 70 105 ILE . 50945 1 71 106 LYS . 50945 1 72 107 GLN . 50945 1 73 108 GLU . 50945 1 74 109 ILE . 50945 1 75 110 ASN . 50945 1 76 111 LEU . 50945 1 77 112 PRO . 50945 1 78 113 VAL . 50945 1 79 114 ALA . 50945 1 80 115 LEU . 50945 1 81 116 ALA . 50945 1 82 117 VAL . 50945 1 83 118 VAL . 50945 1 84 119 THR . 50945 1 85 120 HIS . 50945 1 86 121 ALA . 50945 1 87 122 HIS . 50945 1 88 123 GLN . 50945 1 89 124 ASP . 50945 1 90 125 LYS . 50945 1 91 126 MET . 50945 1 92 127 GLY . 50945 1 93 128 GLY . 50945 1 94 129 MET . 50945 1 95 130 ASP . 50945 1 96 131 ALA . 50945 1 97 132 LEU . 50945 1 98 133 HIS . 50945 1 99 134 ALA . 50945 1 100 135 ALA . 50945 1 101 136 GLY . 50945 1 102 137 ILE . 50945 1 103 138 ALA . 50945 1 104 139 THR . 50945 1 105 140 TYR . 50945 1 106 141 ALA . 50945 1 107 142 ASN . 50945 1 108 143 ALA . 50945 1 109 144 LEU . 50945 1 110 145 SER . 50945 1 111 146 ASN . 50945 1 112 147 GLN . 50945 1 113 148 LEU . 50945 1 114 149 ALA . 50945 1 115 150 PRO . 50945 1 116 151 GLN . 50945 1 117 152 GLU . 50945 1 118 153 GLY . 50945 1 119 154 MET . 50945 1 120 155 VAL . 50945 1 121 156 ALA . 50945 1 122 157 ALA . 50945 1 123 158 GLN . 50945 1 124 159 HIS . 50945 1 125 160 SER . 50945 1 126 161 LEU . 50945 1 127 162 THR . 50945 1 128 163 PHE . 50945 1 129 164 ALA . 50945 1 130 165 ALA . 50945 1 131 166 ASN . 50945 1 132 167 GLY . 50945 1 133 168 TRP . 50945 1 134 169 VAL . 50945 1 135 170 GLU . 50945 1 136 171 PRO . 50945 1 137 172 ALA . 50945 1 138 173 THR . 50945 1 139 174 ALA . 50945 1 140 175 PRO . 50945 1 141 176 ASN . 50945 1 142 177 PHE . 50945 1 143 178 GLY . 50945 1 144 179 PRO . 50945 1 145 180 LEU . 50945 1 146 181 LYS . 50945 1 147 182 VAL . 50945 1 148 183 PHE . 50945 1 149 184 TYR . 50945 1 150 185 PRO . 50945 1 151 186 GLY . 50945 1 152 187 PRO . 50945 1 153 188 GLY . 50945 1 154 189 HIS . 50945 1 155 190 THR . 50945 1 156 191 SER . 50945 1 157 192 ASP . 50945 1 158 193 ASN . 50945 1 159 194 ILE . 50945 1 160 195 THR . 50945 1 161 196 VAL . 50945 1 162 197 GLY . 50945 1 163 198 ILE . 50945 1 164 199 ASP . 50945 1 165 200 GLY . 50945 1 166 201 THR . 50945 1 167 202 ASP . 50945 1 168 203 ILE . 50945 1 169 204 ALA . 50945 1 170 205 PHE . 50945 1 171 206 GLY . 50945 1 172 207 GLY . 50945 1 173 208 CYS . 50945 1 174 209 LEU . 50945 1 175 210 ILE . 50945 1 176 211 LYS . 50945 1 177 212 ASP . 50945 1 178 213 SER . 50945 1 179 214 LYS . 50945 1 180 215 ALA . 50945 1 181 216 LYS . 50945 1 182 217 SER . 50945 1 183 218 LEU . 50945 1 184 219 GLY . 50945 1 185 220 ASN . 50945 1 186 221 LEU . 50945 1 187 222 GLY . 50945 1 188 223 ASP . 50945 1 189 224 ALA . 50945 1 190 225 ASP . 50945 1 191 226 THR . 50945 1 192 227 GLU . 50945 1 193 228 HIS . 50945 1 194 229 TYR . 50945 1 195 230 ALA . 50945 1 196 231 ALA . 50945 1 197 232 SER . 50945 1 198 233 ALA . 50945 1 199 234 ARG . 50945 1 200 235 ALA . 50945 1 201 236 PHE . 50945 1 202 237 GLY . 50945 1 203 238 ALA . 50945 1 204 239 ALA . 50945 1 205 240 PHE . 50945 1 206 241 PRO . 50945 1 207 242 LYS . 50945 1 208 243 ALA . 50945 1 209 244 SER . 50945 1 210 245 MET . 50945 1 211 246 ILE . 50945 1 212 247 VAL . 50945 1 213 248 MET . 50945 1 214 249 SER . 50945 1 215 250 HIS . 50945 1 216 251 SER . 50945 1 217 252 ALA . 50945 1 218 253 PRO . 50945 1 219 254 ASP . 50945 1 220 255 SER . 50945 1 221 256 ARG . 50945 1 222 257 ALA . 50945 1 223 258 ALA . 50945 1 224 259 ILE . 50945 1 225 260 THR . 50945 1 226 261 HIS . 50945 1 227 262 THR . 50945 1 228 263 ALA . 50945 1 229 264 ARG . 50945 1 230 265 MET . 50945 1 231 266 ALA . 50945 1 232 267 ASP . 50945 1 233 268 LYS . 50945 1 234 269 LEU . 50945 1 235 270 ARG . 50945 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 50945 1 . GLN 2 2 50945 1 . GLN 3 3 50945 1 . MET 4 4 50945 1 . GLU 5 5 50945 1 . THR 6 6 50945 1 . GLY 7 7 50945 1 . ASP 8 8 50945 1 . GLN 9 9 50945 1 . ARG 10 10 50945 1 . PHE 11 11 50945 1 . GLY 12 12 50945 1 . ASP 13 13 50945 1 . LEU 14 14 50945 1 . VAL 15 15 50945 1 . PHE 16 16 50945 1 . ARG 17 17 50945 1 . GLN 18 18 50945 1 . LEU 19 19 50945 1 . ALA 20 20 50945 1 . PRO 21 21 50945 1 . ASN 22 22 50945 1 . VAL 23 23 50945 1 . TRP 24 24 50945 1 . GLN 25 25 50945 1 . HIS 26 26 50945 1 . THR 27 27 50945 1 . SER 28 28 50945 1 . TYR 29 29 50945 1 . LEU 30 30 50945 1 . ASP 31 31 50945 1 . MET 32 32 50945 1 . PRO 33 33 50945 1 . GLY 34 34 50945 1 . PHE 35 35 50945 1 . GLY 36 36 50945 1 . ALA 37 37 50945 1 . VAL 38 38 50945 1 . ALA 39 39 50945 1 . SER 40 40 50945 1 . ASN 41 41 50945 1 . GLY 42 42 50945 1 . LEU 43 43 50945 1 . ILE 44 44 50945 1 . VAL 45 45 50945 1 . ARG 46 46 50945 1 . ASP 47 47 50945 1 . GLY 48 48 50945 1 . GLY 49 49 50945 1 . ARG 50 50 50945 1 . VAL 51 51 50945 1 . LEU 52 52 50945 1 . VAL 53 53 50945 1 . VAL 54 54 50945 1 . ASP 55 55 50945 1 . THR 56 56 50945 1 . ALA 57 57 50945 1 . TRP 58 58 50945 1 . THR 59 59 50945 1 . ASP 60 60 50945 1 . ASP 61 61 50945 1 . GLN 62 62 50945 1 . THR 63 63 50945 1 . ALA 64 64 50945 1 . GLN 65 65 50945 1 . ILE 66 66 50945 1 . LEU 67 67 50945 1 . ASN 68 68 50945 1 . TRP 69 69 50945 1 . ILE 70 70 50945 1 . LYS 71 71 50945 1 . GLN 72 72 50945 1 . GLU 73 73 50945 1 . ILE 74 74 50945 1 . ASN 75 75 50945 1 . LEU 76 76 50945 1 . PRO 77 77 50945 1 . VAL 78 78 50945 1 . ALA 79 79 50945 1 . LEU 80 80 50945 1 . ALA 81 81 50945 1 . VAL 82 82 50945 1 . VAL 83 83 50945 1 . THR 84 84 50945 1 . HIS 85 85 50945 1 . ALA 86 86 50945 1 . HIS 87 87 50945 1 . GLN 88 88 50945 1 . ASP 89 89 50945 1 . LYS 90 90 50945 1 . MET 91 91 50945 1 . GLY 92 92 50945 1 . GLY 93 93 50945 1 . MET 94 94 50945 1 . ASP 95 95 50945 1 . ALA 96 96 50945 1 . LEU 97 97 50945 1 . HIS 98 98 50945 1 . ALA 99 99 50945 1 . ALA 100 100 50945 1 . GLY 101 101 50945 1 . ILE 102 102 50945 1 . ALA 103 103 50945 1 . THR 104 104 50945 1 . TYR 105 105 50945 1 . ALA 106 106 50945 1 . ASN 107 107 50945 1 . ALA 108 108 50945 1 . LEU 109 109 50945 1 . SER 110 110 50945 1 . ASN 111 111 50945 1 . GLN 112 112 50945 1 . LEU 113 113 50945 1 . ALA 114 114 50945 1 . PRO 115 115 50945 1 . GLN 116 116 50945 1 . GLU 117 117 50945 1 . GLY 118 118 50945 1 . MET 119 119 50945 1 . VAL 120 120 50945 1 . ALA 121 121 50945 1 . ALA 122 122 50945 1 . GLN 123 123 50945 1 . HIS 124 124 50945 1 . SER 125 125 50945 1 . LEU 126 126 50945 1 . THR 127 127 50945 1 . PHE 128 128 50945 1 . ALA 129 129 50945 1 . ALA 130 130 50945 1 . ASN 131 131 50945 1 . GLY 132 132 50945 1 . TRP 133 133 50945 1 . VAL 134 134 50945 1 . GLU 135 135 50945 1 . PRO 136 136 50945 1 . ALA 137 137 50945 1 . THR 138 138 50945 1 . ALA 139 139 50945 1 . PRO 140 140 50945 1 . ASN 141 141 50945 1 . PHE 142 142 50945 1 . GLY 143 143 50945 1 . PRO 144 144 50945 1 . LEU 145 145 50945 1 . LYS 146 146 50945 1 . VAL 147 147 50945 1 . PHE 148 148 50945 1 . TYR 149 149 50945 1 . PRO 150 150 50945 1 . GLY 151 151 50945 1 . PRO 152 152 50945 1 . GLY 153 153 50945 1 . HIS 154 154 50945 1 . THR 155 155 50945 1 . SER 156 156 50945 1 . ASP 157 157 50945 1 . ASN 158 158 50945 1 . ILE 159 159 50945 1 . THR 160 160 50945 1 . VAL 161 161 50945 1 . GLY 162 162 50945 1 . ILE 163 163 50945 1 . ASP 164 164 50945 1 . GLY 165 165 50945 1 . THR 166 166 50945 1 . ASP 167 167 50945 1 . ILE 168 168 50945 1 . ALA 169 169 50945 1 . PHE 170 170 50945 1 . GLY 171 171 50945 1 . GLY 172 172 50945 1 . CYS 173 173 50945 1 . LEU 174 174 50945 1 . ILE 175 175 50945 1 . LYS 176 176 50945 1 . ASP 177 177 50945 1 . SER 178 178 50945 1 . LYS 179 179 50945 1 . ALA 180 180 50945 1 . LYS 181 181 50945 1 . SER 182 182 50945 1 . LEU 183 183 50945 1 . GLY 184 184 50945 1 . ASN 185 185 50945 1 . LEU 186 186 50945 1 . GLY 187 187 50945 1 . ASP 188 188 50945 1 . ALA 189 189 50945 1 . ASP 190 190 50945 1 . THR 191 191 50945 1 . GLU 192 192 50945 1 . HIS 193 193 50945 1 . TYR 194 194 50945 1 . ALA 195 195 50945 1 . ALA 196 196 50945 1 . SER 197 197 50945 1 . ALA 198 198 50945 1 . ARG 199 199 50945 1 . ALA 200 200 50945 1 . PHE 201 201 50945 1 . GLY 202 202 50945 1 . ALA 203 203 50945 1 . ALA 204 204 50945 1 . PHE 205 205 50945 1 . PRO 206 206 50945 1 . LYS 207 207 50945 1 . ALA 208 208 50945 1 . SER 209 209 50945 1 . MET 210 210 50945 1 . ILE 211 211 50945 1 . VAL 212 212 50945 1 . MET 213 213 50945 1 . SER 214 214 50945 1 . HIS 215 215 50945 1 . SER 216 216 50945 1 . ALA 217 217 50945 1 . PRO 218 218 50945 1 . ASP 219 219 50945 1 . SER 220 220 50945 1 . ARG 221 221 50945 1 . ALA 222 222 50945 1 . ALA 223 223 50945 1 . ILE 224 224 50945 1 . THR 225 225 50945 1 . HIS 226 226 50945 1 . THR 227 227 50945 1 . ALA 228 228 50945 1 . ARG 229 229 50945 1 . MET 230 230 50945 1 . ALA 231 231 50945 1 . ASP 232 232 50945 1 . LYS 233 233 50945 1 . LEU 234 234 50945 1 . ARG 235 235 50945 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50945 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 50945 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50945 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'obtained from a collaborator' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . 50945 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50945 _Sample.ID 1 _Sample.Name NDM-1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 NDM-1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50945 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 50945 _Sample_condition_list.ID 1 _Sample_condition_list.Name NDM-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 pH 7 . pH 50945 1 pressure 1 . atm 50945 1 temperature 310 . K 50945 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50945 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50945 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50945 _Software.ID 2 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50945 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50945 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50945 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50945 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '800 MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50945 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50945 1 2 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50945 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50945 1 4 '3D HN(CO)CACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50945 1 5 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50945 1 6 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50945 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50945 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 50945 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50945 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name NDM-1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCACB' . . . 50945 1 4 '3D HN(CO)CACB' . . . 50945 1 5 '3D HNCO' . . . 50945 1 6 '3D HN(CA)CO' . . . 50945 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50945 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 2 . 1 3 3 GLN C C 13 175.079 0.000 . 1 . . . . . 38 GLN C . 50945 1 2 . 2 . 1 3 3 GLN CB C 13 28.712 0.000 . 1 . . . . . 38 GLN CB . 50945 1 3 . 2 . 1 4 4 MET H H 1 8.323 0.000 . 1 . . . . . 39 MET H . 50945 1 4 . 2 . 1 4 4 MET C C 13 175.432 0.021 . 1 . . . . . 39 MET C . 50945 1 5 . 2 . 1 4 4 MET CA C 13 54.922 0.026 . 1 . . . . . 39 MET CA . 50945 1 6 . 2 . 1 4 4 MET CB C 13 32.664 0.065 . 1 . . . . . 39 MET CB . 50945 1 7 . 2 . 1 4 4 MET N N 15 122.190 0.000 . 1 . . . . . 39 MET N . 50945 1 8 . 2 . 1 5 5 GLU H H 1 8.513 0.000 . 1 . . . . . 40 GLU H . 50945 1 9 . 2 . 1 5 5 GLU C C 13 176.170 0.021 . 1 . . . . . 40 GLU C . 50945 1 10 . 2 . 1 5 5 GLU CA C 13 55.834 0.099 . 1 . . . . . 40 GLU CA . 50945 1 11 . 2 . 1 5 5 GLU CB C 13 29.790 0.035 . 1 . . . . . 40 GLU CB . 50945 1 12 . 2 . 1 5 5 GLU N N 15 123.093 0.000 . 1 . . . . . 40 GLU N . 50945 1 13 . 2 . 1 6 6 THR H H 1 8.144 0.000 . 1 . . . . . 41 THR H . 50945 1 14 . 2 . 1 6 6 THR C C 13 174.482 0.004 . 1 . . . . . 41 THR C . 50945 1 15 . 2 . 1 6 6 THR CA C 13 61.768 0.030 . 1 . . . . . 41 THR CA . 50945 1 16 . 2 . 1 6 6 THR CB C 13 69.153 0.020 . 1 . . . . . 41 THR CB . 50945 1 17 . 2 . 1 6 6 THR N N 15 114.976 0.000 . 1 . . . . . 41 THR N . 50945 1 18 . 2 . 1 7 7 GLY H H 1 8.328 0.000 . 1 . . . . . 42 GLY H . 50945 1 19 . 2 . 1 7 7 GLY C C 13 173.112 0.011 . 1 . . . . . 42 GLY C . 50945 1 20 . 2 . 1 7 7 GLY CA C 13 44.401 0.006 . 1 . . . . . 42 GLY CA . 50945 1 21 . 2 . 1 7 7 GLY N N 15 111.141 0.000 . 1 . . . . . 42 GLY N . 50945 1 22 . 2 . 1 8 8 ASP H H 1 8.054 0.000 . 1 . . . . . 43 ASP H . 50945 1 23 . 2 . 1 8 8 ASP C C 13 175.530 0.003 . 1 . . . . . 43 ASP C . 50945 1 24 . 2 . 1 8 8 ASP CA C 13 54.294 0.005 . 1 . . . . . 43 ASP CA . 50945 1 25 . 2 . 1 8 8 ASP CB C 13 40.966 0.011 . 1 . . . . . 43 ASP CB . 50945 1 26 . 2 . 1 8 8 ASP N N 15 121.597 0.000 . 1 . . . . . 43 ASP N . 50945 1 27 . 2 . 1 9 9 GLN H H 1 9.051 0.000 . 1 . . . . . 44 GLN H . 50945 1 28 . 2 . 1 9 9 GLN C C 13 174.268 0.002 . 1 . . . . . 44 GLN C . 50945 1 29 . 2 . 1 9 9 GLN CA C 13 54.269 0.019 . 1 . . . . . 44 GLN CA . 50945 1 30 . 2 . 1 9 9 GLN CB C 13 30.396 0.037 . 1 . . . . . 44 GLN CB . 50945 1 31 . 2 . 1 9 9 GLN N N 15 122.445 0.000 . 1 . . . . . 44 GLN N . 50945 1 32 . 2 . 1 10 10 ARG H H 1 8.676 0.000 . 1 . . . . . 45 ARG H . 50945 1 33 . 2 . 1 10 10 ARG C C 13 175.464 0.005 . 1 . . . . . 45 ARG C . 50945 1 34 . 2 . 1 10 10 ARG CA C 13 55.166 0.029 . 1 . . . . . 45 ARG CA . 50945 1 35 . 2 . 1 10 10 ARG CB C 13 30.536 0.001 . 1 . . . . . 45 ARG CB . 50945 1 36 . 2 . 1 10 10 ARG N N 15 125.276 0.000 . 1 . . . . . 45 ARG N . 50945 1 37 . 2 . 1 11 11 PHE H H 1 8.592 0.000 . 1 . . . . . 46 PHE H . 50945 1 38 . 2 . 1 11 11 PHE C C 13 173.808 0.001 . 1 . . . . . 46 PHE C . 50945 1 39 . 2 . 1 11 11 PHE CA C 13 57.036 0.006 . 1 . . . . . 46 PHE CA . 50945 1 40 . 2 . 1 11 11 PHE CB C 13 40.921 0.053 . 1 . . . . . 46 PHE CB . 50945 1 41 . 2 . 1 11 11 PHE N N 15 128.013 0.000 . 1 . . . . . 46 PHE N . 50945 1 42 . 2 . 1 12 12 GLY H H 1 8.508 0.000 . 1 . . . . . 47 GLY H . 50945 1 43 . 2 . 1 12 12 GLY C C 13 174.501 0.000 . 1 . . . . . 47 GLY C . 50945 1 44 . 2 . 1 12 12 GLY CA C 13 46.354 0.021 . 1 . . . . . 47 GLY CA . 50945 1 45 . 2 . 1 12 12 GLY N N 15 116.444 0.000 . 1 . . . . . 47 GLY N . 50945 1 46 . 2 . 1 13 13 ASP H H 1 9.153 0.000 . 1 . . . . . 48 ASP H . 50945 1 47 . 2 . 1 13 13 ASP C C 13 174.801 0.003 . 1 . . . . . 48 ASP C . 50945 1 48 . 2 . 1 13 13 ASP CA C 13 54.299 0.004 . 1 . . . . . 48 ASP CA . 50945 1 49 . 2 . 1 13 13 ASP CB C 13 40.882 0.048 . 1 . . . . . 48 ASP CB . 50945 1 50 . 2 . 1 13 13 ASP N N 15 127.053 0.000 . 1 . . . . . 48 ASP N . 50945 1 51 . 2 . 1 14 14 LEU H H 1 8.339 0.000 . 1 . . . . . 49 LEU H . 50945 1 52 . 2 . 1 14 14 LEU C C 13 175.926 0.012 . 1 . . . . . 49 LEU C . 50945 1 53 . 2 . 1 14 14 LEU CA C 13 53.780 0.007 . 1 . . . . . 49 LEU CA . 50945 1 54 . 2 . 1 14 14 LEU CB C 13 45.186 0.013 . 1 . . . . . 49 LEU CB . 50945 1 55 . 2 . 1 14 14 LEU N N 15 124.172 0.000 . 1 . . . . . 49 LEU N . 50945 1 56 . 2 . 1 15 15 VAL H H 1 8.001 0.000 . 1 . . . . . 50 VAL H . 50945 1 57 . 2 . 1 15 15 VAL C C 13 172.744 0.014 . 1 . . . . . 50 VAL C . 50945 1 58 . 2 . 1 15 15 VAL CA C 13 60.448 0.008 . 1 . . . . . 50 VAL CA . 50945 1 59 . 2 . 1 15 15 VAL CB C 13 34.935 0.042 . 1 . . . . . 50 VAL CB . 50945 1 60 . 2 . 1 15 15 VAL N N 15 119.449 0.000 . 1 . . . . . 50 VAL N . 50945 1 61 . 2 . 1 16 16 PHE H H 1 8.739 0.000 . 1 . . . . . 51 PHE H . 50945 1 62 . 2 . 1 16 16 PHE C C 13 174.494 0.001 . 1 . . . . . 51 PHE C . 50945 1 63 . 2 . 1 16 16 PHE CA C 13 55.638 0.010 . 1 . . . . . 51 PHE CA . 50945 1 64 . 2 . 1 16 16 PHE CB C 13 42.488 0.047 . 1 . . . . . 51 PHE CB . 50945 1 65 . 2 . 1 16 16 PHE N N 15 123.274 0.000 . 1 . . . . . 51 PHE N . 50945 1 66 . 2 . 1 17 17 ARG H H 1 8.460 0.000 . 1 . . . . . 52 ARG H . 50945 1 67 . 2 . 1 17 17 ARG C C 13 174.296 0.017 . 1 . . . . . 52 ARG C . 50945 1 68 . 2 . 1 17 17 ARG CA C 13 54.086 0.019 . 1 . . . . . 52 ARG CA . 50945 1 69 . 2 . 1 17 17 ARG CB C 13 34.277 0.009 . 1 . . . . . 52 ARG CB . 50945 1 70 . 2 . 1 17 17 ARG N N 15 121.234 0.000 . 1 . . . . . 52 ARG N . 50945 1 71 . 2 . 1 18 18 GLN H H 1 9.492 0.000 . 1 . . . . . 53 GLN H . 50945 1 72 . 2 . 1 18 18 GLN C C 13 174.469 0.025 . 1 . . . . . 53 GLN C . 50945 1 73 . 2 . 1 18 18 GLN CA C 13 56.978 0.013 . 1 . . . . . 53 GLN CA . 50945 1 74 . 2 . 1 18 18 GLN CB C 13 27.598 0.019 . 1 . . . . . 53 GLN CB . 50945 1 75 . 2 . 1 18 18 GLN N N 15 130.695 0.000 . 1 . . . . . 53 GLN N . 50945 1 76 . 2 . 1 19 19 LEU H H 1 8.724 0.000 . 1 . . . . . 54 LEU H . 50945 1 77 . 2 . 1 19 19 LEU C C 13 174.832 0.004 . 1 . . . . . 54 LEU C . 50945 1 78 . 2 . 1 19 19 LEU CA C 13 54.414 0.021 . 1 . . . . . 54 LEU CA . 50945 1 79 . 2 . 1 19 19 LEU CB C 13 43.528 0.050 . 1 . . . . . 54 LEU CB . 50945 1 80 . 2 . 1 19 19 LEU N N 15 127.946 0.000 . 1 . . . . . 54 LEU N . 50945 1 81 . 2 . 1 20 20 ALA H H 1 8.228 0.000 . 1 . . . . . 55 ALA H . 50945 1 82 . 2 . 1 20 20 ALA C C 13 173.725 0.000 . 1 . . . . . 55 ALA C . 50945 1 83 . 2 . 1 20 20 ALA CA C 13 49.588 0.000 . 1 . . . . . 55 ALA CA . 50945 1 84 . 2 . 1 20 20 ALA CB C 13 18.338 0.000 . 1 . . . . . 55 ALA CB . 50945 1 85 . 2 . 1 20 20 ALA N N 15 121.835 0.000 . 1 . . . . . 55 ALA N . 50945 1 86 . 2 . 1 21 21 PRO C C 13 175.003 0.000 . 1 . . . . . 56 PRO C . 50945 1 87 . 2 . 1 21 21 PRO CA C 13 65.560 0.000 . 1 . . . . . 56 PRO CA . 50945 1 88 . 2 . 1 21 21 PRO CB C 13 30.768 0.000 . 1 . . . . . 56 PRO CB . 50945 1 89 . 2 . 1 22 22 ASN H H 1 7.884 0.000 . 1 . . . . . 57 ASN H . 50945 1 90 . 2 . 1 22 22 ASN C C 13 173.136 0.025 . 1 . . . . . 57 ASN C . 50945 1 91 . 2 . 1 22 22 ASN CA C 13 52.180 0.010 . 1 . . . . . 57 ASN CA . 50945 1 92 . 2 . 1 22 22 ASN CB C 13 38.914 0.010 . 1 . . . . . 57 ASN CB . 50945 1 93 . 2 . 1 22 22 ASN N N 15 109.406 0.000 . 1 . . . . . 57 ASN N . 50945 1 94 . 2 . 1 23 23 VAL H H 1 7.008 0.000 . 1 . . . . . 58 VAL H . 50945 1 95 . 2 . 1 23 23 VAL C C 13 173.114 0.003 . 1 . . . . . 58 VAL C . 50945 1 96 . 2 . 1 23 23 VAL CA C 13 61.213 0.002 . 1 . . . . . 58 VAL CA . 50945 1 97 . 2 . 1 23 23 VAL CB C 13 35.202 0.019 . 1 . . . . . 58 VAL CB . 50945 1 98 . 2 . 1 23 23 VAL N N 15 116.496 0.000 . 1 . . . . . 58 VAL N . 50945 1 99 . 2 . 1 24 24 TRP H H 1 9.881 0.000 . 1 . . . . . 59 TRP H . 50945 1 100 . 2 . 1 24 24 TRP C C 13 172.840 0.010 . 1 . . . . . 59 TRP C . 50945 1 101 . 2 . 1 24 24 TRP CA C 13 56.597 0.014 . 1 . . . . . 59 TRP CA . 50945 1 102 . 2 . 1 24 24 TRP CB C 13 33.513 0.036 . 1 . . . . . 59 TRP CB . 50945 1 103 . 2 . 1 24 24 TRP N N 15 128.535 0.000 . 1 . . . . . 59 TRP N . 50945 1 104 . 2 . 1 25 25 GLN H H 1 9.610 0.000 . 1 . . . . . 60 GLN H . 50945 1 105 . 2 . 1 25 25 GLN C C 13 175.473 0.007 . 1 . . . . . 60 GLN C . 50945 1 106 . 2 . 1 25 25 GLN CA C 13 53.429 0.028 . 1 . . . . . 60 GLN CA . 50945 1 107 . 2 . 1 25 25 GLN CB C 13 34.173 0.003 . 1 . . . . . 60 GLN CB . 50945 1 108 . 2 . 1 25 25 GLN N N 15 123.104 0.000 . 1 . . . . . 60 GLN N . 50945 1 109 . 2 . 1 26 26 HIS H H 1 8.024 0.000 . 1 . . . . . 61 HIS H . 50945 1 110 . 2 . 1 26 26 HIS C C 13 172.904 0.007 . 1 . . . . . 61 HIS C . 50945 1 111 . 2 . 1 26 26 HIS CA C 13 52.824 0.013 . 1 . . . . . 61 HIS CA . 50945 1 112 . 2 . 1 26 26 HIS CB C 13 34.681 0.025 . 1 . . . . . 61 HIS CB . 50945 1 113 . 2 . 1 26 26 HIS N N 15 127.649 0.000 . 1 . . . . . 61 HIS N . 50945 1 114 . 2 . 1 27 27 THR H H 1 8.463 0.000 . 1 . . . . . 62 THR H . 50945 1 115 . 2 . 1 27 27 THR C C 13 171.077 0.099 . 1 . . . . . 62 THR C . 50945 1 116 . 2 . 1 27 27 THR CA C 13 61.455 0.022 . 1 . . . . . 62 THR CA . 50945 1 117 . 2 . 1 27 27 THR CB C 13 71.027 0.092 . 1 . . . . . 62 THR CB . 50945 1 118 . 2 . 1 27 27 THR N N 15 118.506 0.000 . 1 . . . . . 62 THR N . 50945 1 119 . 2 . 1 28 28 SER H H 1 8.432 0.000 . 1 . . . . . 63 SER H . 50945 1 120 . 2 . 1 28 28 SER C C 13 173.040 0.019 . 1 . . . . . 63 SER C . 50945 1 121 . 2 . 1 28 28 SER CA C 13 55.555 0.033 . 1 . . . . . 63 SER CA . 50945 1 122 . 2 . 1 28 28 SER CB C 13 66.655 0.010 . 1 . . . . . 63 SER CB . 50945 1 123 . 2 . 1 28 28 SER N N 15 119.071 0.000 . 1 . . . . . 63 SER N . 50945 1 124 . 2 . 1 29 29 TYR H H 1 9.032 0.000 . 1 . . . . . 64 TYR H . 50945 1 125 . 2 . 1 29 29 TYR C C 13 174.270 0.010 . 1 . . . . . 64 TYR C . 50945 1 126 . 2 . 1 29 29 TYR CA C 13 56.919 0.014 . 1 . . . . . 64 TYR CA . 50945 1 127 . 2 . 1 29 29 TYR CB C 13 41.977 0.013 . 1 . . . . . 64 TYR CB . 50945 1 128 . 2 . 1 29 29 TYR N N 15 118.994 0.000 . 1 . . . . . 64 TYR N . 50945 1 129 . 2 . 1 30 30 LEU H H 1 7.785 0.000 . 1 . . . . . 65 LEU H . 50945 1 130 . 2 . 1 30 30 LEU C C 13 174.632 0.016 . 1 . . . . . 65 LEU C . 50945 1 131 . 2 . 1 30 30 LEU CA C 13 52.672 0.027 . 1 . . . . . 65 LEU CA . 50945 1 132 . 2 . 1 30 30 LEU CB C 13 42.964 0.004 . 1 . . . . . 65 LEU CB . 50945 1 133 . 2 . 1 30 30 LEU N N 15 124.276 0.000 . 1 . . . . . 65 LEU N . 50945 1 134 . 2 . 1 31 31 ASP H H 1 8.063 0.000 . 1 . . . . . 66 ASP H . 50945 1 135 . 2 . 1 31 31 ASP C C 13 174.610 0.009 . 1 . . . . . 66 ASP C . 50945 1 136 . 2 . 1 31 31 ASP CA C 13 53.656 0.010 . 1 . . . . . 66 ASP CA . 50945 1 137 . 2 . 1 31 31 ASP CB C 13 40.398 0.003 . 1 . . . . . 66 ASP CB . 50945 1 138 . 2 . 1 31 31 ASP N N 15 126.708 0.000 . 1 . . . . . 66 ASP N . 50945 1 139 . 2 . 1 32 32 MET H H 1 8.245 0.000 . 1 . . . . . 67 MET H . 50945 1 140 . 2 . 1 32 32 MET C C 13 173.348 0.000 . 1 . . . . . 67 MET C . 50945 1 141 . 2 . 1 32 32 MET CA C 13 51.612 0.000 . 1 . . . . . 67 MET CA . 50945 1 142 . 2 . 1 32 32 MET CB C 13 33.634 0.000 . 1 . . . . . 67 MET CB . 50945 1 143 . 2 . 1 32 32 MET N N 15 125.971 0.000 . 1 . . . . . 67 MET N . 50945 1 144 . 2 . 1 34 34 GLY C C 13 173.461 0.000 . 1 . . . . . 69 GLY C . 50945 1 145 . 2 . 1 34 34 GLY CA C 13 44.809 0.000 . 1 . . . . . 69 GLY CA . 50945 1 146 . 2 . 1 35 35 PHE H H 1 8.029 0.001 . 1 . . . . . 70 PHE H . 50945 1 147 . 2 . 1 35 35 PHE C C 13 175.250 0.000 . 1 . . . . . 70 PHE C . 50945 1 148 . 2 . 1 35 35 PHE CA C 13 58.164 0.017 . 1 . . . . . 70 PHE CA . 50945 1 149 . 2 . 1 35 35 PHE CB C 13 41.277 0.062 . 1 . . . . . 70 PHE CB . 50945 1 150 . 2 . 1 35 35 PHE N N 15 118.884 0.002 . 1 . . . . . 70 PHE N . 50945 1 151 . 2 . 1 36 36 GLY H H 1 8.111 0.000 . 1 . . . . . 71 GLY H . 50945 1 152 . 2 . 1 36 36 GLY C C 13 171.898 0.002 . 1 . . . . . 71 GLY C . 50945 1 153 . 2 . 1 36 36 GLY CA C 13 43.867 0.019 . 1 . . . . . 71 GLY CA . 50945 1 154 . 2 . 1 36 36 GLY N N 15 109.348 0.000 . 1 . . . . . 71 GLY N . 50945 1 155 . 2 . 1 37 37 ALA H H 1 8.017 0.000 . 1 . . . . . 72 ALA H . 50945 1 156 . 2 . 1 37 37 ALA C C 13 177.241 0.007 . 1 . . . . . 72 ALA C . 50945 1 157 . 2 . 1 37 37 ALA CA C 13 51.733 0.003 . 1 . . . . . 72 ALA CA . 50945 1 158 . 2 . 1 37 37 ALA CB C 13 18.276 0.023 . 1 . . . . . 72 ALA CB . 50945 1 159 . 2 . 1 37 37 ALA N N 15 124.085 0.000 . 1 . . . . . 72 ALA N . 50945 1 160 . 2 . 1 38 38 VAL H H 1 8.649 0.000 . 1 . . . . . 73 VAL H . 50945 1 161 . 2 . 1 38 38 VAL C C 13 174.682 0.009 . 1 . . . . . 73 VAL C . 50945 1 162 . 2 . 1 38 38 VAL CA C 13 61.794 0.014 . 1 . . . . . 73 VAL CA . 50945 1 163 . 2 . 1 38 38 VAL CB C 13 32.766 0.025 . 1 . . . . . 73 VAL CB . 50945 1 164 . 2 . 1 38 38 VAL N N 15 126.591 0.000 . 1 . . . . . 73 VAL N . 50945 1 165 . 2 . 1 39 39 ALA H H 1 8.429 0.000 . 1 . . . . . 74 ALA H . 50945 1 166 . 2 . 1 39 39 ALA C C 13 177.895 0.003 . 1 . . . . . 74 ALA C . 50945 1 167 . 2 . 1 39 39 ALA CA C 13 50.682 0.001 . 1 . . . . . 74 ALA CA . 50945 1 168 . 2 . 1 39 39 ALA CB C 13 20.289 0.016 . 1 . . . . . 74 ALA CB . 50945 1 169 . 2 . 1 39 39 ALA N N 15 130.028 0.000 . 1 . . . . . 74 ALA N . 50945 1 170 . 2 . 1 40 40 SER H H 1 8.939 0.000 . 1 . . . . . 75 SER H . 50945 1 171 . 2 . 1 40 40 SER C C 13 173.744 0.000 . 1 . . . . . 75 SER C . 50945 1 172 . 2 . 1 40 40 SER CA C 13 56.989 0.002 . 1 . . . . . 75 SER CA . 50945 1 173 . 2 . 1 40 40 SER CB C 13 62.314 0.043 . 1 . . . . . 75 SER CB . 50945 1 174 . 2 . 1 40 40 SER N N 15 115.233 0.000 . 1 . . . . . 75 SER N . 50945 1 175 . 2 . 1 41 41 ASN H H 1 9.007 0.000 . 1 . . . . . 76 ASN H . 50945 1 176 . 2 . 1 41 41 ASN C C 13 174.341 0.006 . 1 . . . . . 76 ASN C . 50945 1 177 . 2 . 1 41 41 ASN CA C 13 50.425 0.038 . 1 . . . . . 76 ASN CA . 50945 1 178 . 2 . 1 41 41 ASN CB C 13 39.734 0.028 . 1 . . . . . 76 ASN CB . 50945 1 179 . 2 . 1 41 41 ASN N N 15 129.644 0.000 . 1 . . . . . 76 ASN N . 50945 1 180 . 2 . 1 42 42 GLY H H 1 7.797 0.000 . 1 . . . . . 77 GLY H . 50945 1 181 . 2 . 1 42 42 GLY C C 13 173.061 0.012 . 1 . . . . . 77 GLY C . 50945 1 182 . 2 . 1 42 42 GLY CA C 13 42.524 0.004 . 1 . . . . . 77 GLY CA . 50945 1 183 . 2 . 1 42 42 GLY N N 15 108.618 0.000 . 1 . . . . . 77 GLY N . 50945 1 184 . 2 . 1 43 43 LEU H H 1 8.730 0.000 . 1 . . . . . 78 LEU H . 50945 1 185 . 2 . 1 43 43 LEU C C 13 174.942 0.013 . 1 . . . . . 78 LEU C . 50945 1 186 . 2 . 1 43 43 LEU CA C 13 52.516 0.030 . 1 . . . . . 78 LEU CA . 50945 1 187 . 2 . 1 43 43 LEU CB C 13 47.842 0.032 . 1 . . . . . 78 LEU CB . 50945 1 188 . 2 . 1 43 43 LEU N N 15 116.677 0.000 . 1 . . . . . 78 LEU N . 50945 1 189 . 2 . 1 44 44 ILE H H 1 9.359 0.000 . 1 . . . . . 79 ILE H . 50945 1 190 . 2 . 1 44 44 ILE C C 13 173.991 0.009 . 1 . . . . . 79 ILE C . 50945 1 191 . 2 . 1 44 44 ILE CA C 13 60.424 0.044 . 1 . . . . . 79 ILE CA . 50945 1 192 . 2 . 1 44 44 ILE CB C 13 40.870 0.003 . 1 . . . . . 79 ILE CB . 50945 1 193 . 2 . 1 44 44 ILE N N 15 121.556 0.000 . 1 . . . . . 79 ILE N . 50945 1 194 . 2 . 1 45 45 VAL H H 1 9.436 0.000 . 1 . . . . . 80 VAL H . 50945 1 195 . 2 . 1 45 45 VAL C C 13 174.502 0.000 . 1 . . . . . 80 VAL C . 50945 1 196 . 2 . 1 45 45 VAL CA C 13 59.754 0.045 . 1 . . . . . 80 VAL CA . 50945 1 197 . 2 . 1 45 45 VAL CB C 13 35.276 0.017 . 1 . . . . . 80 VAL CB . 50945 1 198 . 2 . 1 45 45 VAL N N 15 126.788 0.000 . 1 . . . . . 80 VAL N . 50945 1 199 . 2 . 1 46 46 ARG H H 1 9.466 0.000 . 1 . . . . . 81 ARG H . 50945 1 200 . 2 . 1 46 46 ARG C C 13 173.021 0.004 . 1 . . . . . 81 ARG C . 50945 1 201 . 2 . 1 46 46 ARG CA C 13 55.266 0.049 . 1 . . . . . 81 ARG CA . 50945 1 202 . 2 . 1 46 46 ARG CB C 13 31.919 0.034 . 1 . . . . . 81 ARG CB . 50945 1 203 . 2 . 1 46 46 ARG N N 15 129.073 0.000 . 1 . . . . . 81 ARG N . 50945 1 204 . 2 . 1 47 47 ASP H H 1 8.910 0.000 . 1 . . . . . 82 ASP H . 50945 1 205 . 2 . 1 47 47 ASP C C 13 174.832 0.011 . 1 . . . . . 82 ASP C . 50945 1 206 . 2 . 1 47 47 ASP CA C 13 51.551 0.018 . 1 . . . . . 82 ASP CA . 50945 1 207 . 2 . 1 47 47 ASP CB C 13 43.321 0.015 . 1 . . . . . 82 ASP CB . 50945 1 208 . 2 . 1 47 47 ASP N N 15 129.706 0.000 . 1 . . . . . 82 ASP N . 50945 1 209 . 2 . 1 48 48 GLY H H 1 8.688 0.000 . 1 . . . . . 83 GLY H . 50945 1 210 . 2 . 1 48 48 GLY C C 13 173.881 0.000 . 1 . . . . . 83 GLY C . 50945 1 211 . 2 . 1 48 48 GLY CA C 13 47.057 0.000 . 1 . . . . . 83 GLY CA . 50945 1 212 . 2 . 1 48 48 GLY N N 15 113.694 0.000 . 1 . . . . . 83 GLY N . 50945 1 213 . 2 . 1 49 49 GLY H H 1 8.488 0.000 . 1 . . . . . 84 GLY H . 50945 1 214 . 2 . 1 49 49 GLY C C 13 172.226 0.000 . 1 . . . . . 84 GLY C . 50945 1 215 . 2 . 1 49 49 GLY CA C 13 45.369 0.046 . 1 . . . . . 84 GLY CA . 50945 1 216 . 2 . 1 49 49 GLY N N 15 116.449 0.000 . 1 . . . . . 84 GLY N . 50945 1 217 . 2 . 1 50 50 ARG H H 1 7.589 0.000 . 1 . . . . . 85 ARG H . 50945 1 218 . 2 . 1 50 50 ARG C C 13 172.245 0.019 . 1 . . . . . 85 ARG C . 50945 1 219 . 2 . 1 50 50 ARG CA C 13 53.354 0.014 . 1 . . . . . 85 ARG CA . 50945 1 220 . 2 . 1 50 50 ARG CB C 13 32.456 0.044 . 1 . . . . . 85 ARG CB . 50945 1 221 . 2 . 1 50 50 ARG N N 15 117.264 0.000 . 1 . . . . . 85 ARG N . 50945 1 222 . 2 . 1 51 51 VAL H H 1 8.730 0.000 . 1 . . . . . 86 VAL H . 50945 1 223 . 2 . 1 51 51 VAL C C 13 172.832 0.005 . 1 . . . . . 86 VAL C . 50945 1 224 . 2 . 1 51 51 VAL CA C 13 59.724 0.017 . 1 . . . . . 86 VAL CA . 50945 1 225 . 2 . 1 51 51 VAL CB C 13 33.657 0.004 . 1 . . . . . 86 VAL CB . 50945 1 226 . 2 . 1 51 51 VAL N N 15 119.026 0.000 . 1 . . . . . 86 VAL N . 50945 1 227 . 2 . 1 52 52 LEU H H 1 9.454 0.000 . 1 . . . . . 87 LEU H . 50945 1 228 . 2 . 1 52 52 LEU C C 13 174.717 0.012 . 1 . . . . . 87 LEU C . 50945 1 229 . 2 . 1 52 52 LEU CA C 13 52.395 0.014 . 1 . . . . . 87 LEU CA . 50945 1 230 . 2 . 1 52 52 LEU CB C 13 43.044 0.043 . 1 . . . . . 87 LEU CB . 50945 1 231 . 2 . 1 52 52 LEU N N 15 126.300 0.000 . 1 . . . . . 87 LEU N . 50945 1 232 . 2 . 1 53 53 VAL H H 1 8.062 0.000 . 1 . . . . . 88 VAL H . 50945 1 233 . 2 . 1 53 53 VAL C C 13 173.054 0.004 . 1 . . . . . 88 VAL C . 50945 1 234 . 2 . 1 53 53 VAL CA C 13 60.798 0.009 . 1 . . . . . 88 VAL CA . 50945 1 235 . 2 . 1 53 53 VAL CB C 13 34.627 0.019 . 1 . . . . . 88 VAL CB . 50945 1 236 . 2 . 1 53 53 VAL N N 15 122.794 0.000 . 1 . . . . . 88 VAL N . 50945 1 237 . 2 . 1 54 54 VAL H H 1 9.075 0.000 . 1 . . . . . 89 VAL H . 50945 1 238 . 2 . 1 54 54 VAL C C 13 175.159 0.015 . 1 . . . . . 89 VAL C . 50945 1 239 . 2 . 1 54 54 VAL CA C 13 60.750 0.055 . 1 . . . . . 89 VAL CA . 50945 1 240 . 2 . 1 54 54 VAL CB C 13 31.957 0.026 . 1 . . . . . 89 VAL CB . 50945 1 241 . 2 . 1 54 54 VAL N N 15 127.043 0.000 . 1 . . . . . 89 VAL N . 50945 1 242 . 2 . 1 55 55 ASP H H 1 8.966 0.000 . 1 . . . . . 90 ASP H . 50945 1 243 . 2 . 1 55 55 ASP C C 13 174.405 0.003 . 1 . . . . . 90 ASP C . 50945 1 244 . 2 . 1 55 55 ASP CA C 13 57.776 0.021 . 1 . . . . . 90 ASP CA . 50945 1 245 . 2 . 1 55 55 ASP CB C 13 39.676 0.026 . 1 . . . . . 90 ASP CB . 50945 1 246 . 2 . 1 55 55 ASP N N 15 119.542 0.000 . 1 . . . . . 90 ASP N . 50945 1 247 . 2 . 1 56 56 THR H H 1 7.535 0.000 . 1 . . . . . 91 THR H . 50945 1 248 . 2 . 1 56 56 THR C C 13 184.765 0.000 . 1 . . . . . 91 THR C . 50945 1 249 . 2 . 1 56 56 THR CA C 13 59.748 0.011 . 1 . . . . . 91 THR CA . 50945 1 250 . 2 . 1 56 56 THR CB C 13 67.564 0.022 . 1 . . . . . 91 THR CB . 50945 1 251 . 2 . 1 56 56 THR N N 15 106.283 0.000 . 1 . . . . . 91 THR N . 50945 1 252 . 2 . 1 57 57 ALA H H 1 6.519 0.000 . 1 . . . . . 92 ALA H . 50945 1 253 . 2 . 1 57 57 ALA C C 13 176.995 0.000 . 1 . . . . . 92 ALA C . 50945 1 254 . 2 . 1 57 57 ALA CA C 13 49.983 0.022 . 1 . . . . . 92 ALA CA . 50945 1 255 . 2 . 1 57 57 ALA CB C 13 21.659 0.023 . 1 . . . . . 92 ALA CB . 50945 1 256 . 2 . 1 57 57 ALA N N 15 114.160 0.000 . 1 . . . . . 92 ALA N . 50945 1 257 . 2 . 1 58 58 TRP H H 1 6.943 0.000 . 1 . . . . . 93 TRP H . 50945 1 258 . 2 . 1 58 58 TRP C C 13 176.259 0.000 . 1 . . . . . 93 TRP C . 50945 1 259 . 2 . 1 58 58 TRP CA C 13 59.474 0.000 . 1 . . . . . 93 TRP CA . 50945 1 260 . 2 . 1 58 58 TRP CB C 13 29.302 0.000 . 1 . . . . . 93 TRP CB . 50945 1 261 . 2 . 1 58 58 TRP N N 15 114.131 0.000 . 1 . . . . . 93 TRP N . 50945 1 262 . 2 . 1 59 59 THR H H 1 6.942 0.000 . 1 . . . . . 94 THR H . 50945 1 263 . 2 . 1 59 59 THR C C 13 176.715 0.000 . 1 . . . . . 94 THR C . 50945 1 264 . 2 . 1 59 59 THR CA C 13 57.173 0.000 . 1 . . . . . 94 THR CA . 50945 1 265 . 2 . 1 59 59 THR CB C 13 73.300 0.000 . 1 . . . . . 94 THR CB . 50945 1 266 . 2 . 1 59 59 THR N N 15 98.600 0.000 . 1 . . . . . 94 THR N . 50945 1 267 . 2 . 1 60 60 ASP H H 1 9.227 0.000 . 1 . . . . . 95 ASP H . 50945 1 268 . 2 . 1 60 60 ASP C C 13 177.277 0.037 . 1 . . . . . 95 ASP C . 50945 1 269 . 2 . 1 60 60 ASP CA C 13 57.853 0.002 . 1 . . . . . 95 ASP CA . 50945 1 270 . 2 . 1 60 60 ASP CB C 13 40.277 0.006 . 1 . . . . . 95 ASP CB . 50945 1 271 . 2 . 1 60 60 ASP N N 15 126.352 0.000 . 1 . . . . . 95 ASP N . 50945 1 272 . 2 . 1 61 61 ASP H H 1 8.572 0.000 . 1 . . . . . 96 ASP H . 50945 1 273 . 2 . 1 61 61 ASP C C 13 178.936 0.016 . 1 . . . . . 96 ASP C . 50945 1 274 . 2 . 1 61 61 ASP CA C 13 57.142 0.003 . 1 . . . . . 96 ASP CA . 50945 1 275 . 2 . 1 61 61 ASP CB C 13 40.469 0.008 . 1 . . . . . 96 ASP CB . 50945 1 276 . 2 . 1 61 61 ASP N N 15 120.283 0.000 . 1 . . . . . 96 ASP N . 50945 1 277 . 2 . 1 62 62 GLN H H 1 7.696 0.000 . 1 . . . . . 97 GLN H . 50945 1 278 . 2 . 1 62 62 GLN C C 13 177.578 0.006 . 1 . . . . . 97 GLN C . 50945 1 279 . 2 . 1 62 62 GLN CA C 13 57.779 0.002 . 1 . . . . . 97 GLN CA . 50945 1 280 . 2 . 1 62 62 GLN CB C 13 30.139 0.010 . 1 . . . . . 97 GLN CB . 50945 1 281 . 2 . 1 62 62 GLN N N 15 117.073 0.000 . 1 . . . . . 97 GLN N . 50945 1 282 . 2 . 1 63 63 THR H H 1 7.918 0.000 . 1 . . . . . 98 THR H . 50945 1 283 . 2 . 1 63 63 THR C C 13 175.112 0.000 . 1 . . . . . 98 THR C . 50945 1 284 . 2 . 1 63 63 THR CA C 13 66.766 0.023 . 1 . . . . . 98 THR CA . 50945 1 285 . 2 . 1 63 63 THR CB C 13 67.178 0.012 . 1 . . . . . 98 THR CB . 50945 1 286 . 2 . 1 63 63 THR N N 15 117.618 0.000 . 1 . . . . . 98 THR N . 50945 1 287 . 2 . 1 64 64 ALA H H 1 8.677 0.000 . 1 . . . . . 99 ALA H . 50945 1 288 . 2 . 1 64 64 ALA C C 13 179.812 0.001 . 1 . . . . . 99 ALA C . 50945 1 289 . 2 . 1 64 64 ALA CA C 13 54.860 0.026 . 1 . . . . . 99 ALA CA . 50945 1 290 . 2 . 1 64 64 ALA CB C 13 16.747 0.003 . 1 . . . . . 99 ALA CB . 50945 1 291 . 2 . 1 64 64 ALA N N 15 125.217 0.000 . 1 . . . . . 99 ALA N . 50945 1 292 . 2 . 1 65 65 GLN H H 1 7.461 0.000 . 1 . . . . . 100 GLN H . 50945 1 293 . 2 . 1 65 65 GLN C C 13 178.265 0.016 . 1 . . . . . 100 GLN C . 50945 1 294 . 2 . 1 65 65 GLN CA C 13 59.093 0.004 . 1 . . . . . 100 GLN CA . 50945 1 295 . 2 . 1 65 65 GLN CB C 13 28.103 0.013 . 1 . . . . . 100 GLN CB . 50945 1 296 . 2 . 1 65 65 GLN N N 15 117.255 0.000 . 1 . . . . . 100 GLN N . 50945 1 297 . 2 . 1 66 66 ILE H H 1 7.649 0.000 . 1 . . . . . 101 ILE H . 50945 1 298 . 2 . 1 66 66 ILE C C 13 177.213 0.023 . 1 . . . . . 101 ILE C . 50945 1 299 . 2 . 1 66 66 ILE CA C 13 66.155 0.045 . 1 . . . . . 101 ILE CA . 50945 1 300 . 2 . 1 66 66 ILE CB C 13 36.863 0.036 . 1 . . . . . 101 ILE CB . 50945 1 301 . 2 . 1 66 66 ILE N N 15 121.031 0.000 . 1 . . . . . 101 ILE N . 50945 1 302 . 2 . 1 67 67 LEU H H 1 7.423 0.000 . 1 . . . . . 102 LEU H . 50945 1 303 . 2 . 1 67 67 LEU C C 13 179.574 0.003 . 1 . . . . . 102 LEU C . 50945 1 304 . 2 . 1 67 67 LEU CA C 13 57.243 0.038 . 1 . . . . . 102 LEU CA . 50945 1 305 . 2 . 1 67 67 LEU CB C 13 38.850 0.030 . 1 . . . . . 102 LEU CB . 50945 1 306 . 2 . 1 67 67 LEU N N 15 116.577 0.000 . 1 . . . . . 102 LEU N . 50945 1 307 . 2 . 1 68 68 ASN H H 1 8.057 0.000 . 1 . . . . . 103 ASN H . 50945 1 308 . 2 . 1 68 68 ASN C C 13 176.280 0.012 . 1 . . . . . 103 ASN C . 50945 1 309 . 2 . 1 68 68 ASN CA C 13 55.146 0.000 . 1 . . . . . 103 ASN CA . 50945 1 310 . 2 . 1 68 68 ASN CB C 13 37.179 0.002 . 1 . . . . . 103 ASN CB . 50945 1 311 . 2 . 1 68 68 ASN N N 15 120.355 0.000 . 1 . . . . . 103 ASN N . 50945 1 312 . 2 . 1 69 69 TRP H H 1 8.321 0.000 . 1 . . . . . 104 TRP H . 50945 1 313 . 2 . 1 69 69 TRP C C 13 176.531 0.008 . 1 . . . . . 104 TRP C . 50945 1 314 . 2 . 1 69 69 TRP CA C 13 61.965 0.013 . 1 . . . . . 104 TRP CA . 50945 1 315 . 2 . 1 69 69 TRP CB C 13 26.973 0.037 . 1 . . . . . 104 TRP CB . 50945 1 316 . 2 . 1 69 69 TRP N N 15 125.509 0.000 . 1 . . . . . 104 TRP N . 50945 1 317 . 2 . 1 70 70 ILE H H 1 8.328 0.000 . 1 . . . . . 105 ILE H . 50945 1 318 . 2 . 1 70 70 ILE C C 13 177.631 0.006 . 1 . . . . . 105 ILE C . 50945 1 319 . 2 . 1 70 70 ILE CA C 13 65.052 0.016 . 1 . . . . . 105 ILE CA . 50945 1 320 . 2 . 1 70 70 ILE CB C 13 37.626 0.097 . 1 . . . . . 105 ILE CB . 50945 1 321 . 2 . 1 70 70 ILE N N 15 118.259 0.000 . 1 . . . . . 105 ILE N . 50945 1 322 . 2 . 1 71 71 LYS H H 1 7.554 0.000 . 1 . . . . . 106 LYS H . 50945 1 323 . 2 . 1 71 71 LYS C C 13 175.851 0.008 . 1 . . . . . 106 LYS C . 50945 1 324 . 2 . 1 71 71 LYS CA C 13 58.909 0.008 . 1 . . . . . 106 LYS CA . 50945 1 325 . 2 . 1 71 71 LYS CB C 13 31.348 0.044 . 1 . . . . . 106 LYS CB . 50945 1 326 . 2 . 1 71 71 LYS N N 15 121.045 0.000 . 1 . . . . . 106 LYS N . 50945 1 327 . 2 . 1 72 72 GLN H H 1 7.200 0.000 . 1 . . . . . 107 GLN H . 50945 1 328 . 2 . 1 72 72 GLN C C 13 176.507 0.045 . 1 . . . . . 107 GLN C . 50945 1 329 . 2 . 1 72 72 GLN CA C 13 57.647 0.017 . 1 . . . . . 107 GLN CA . 50945 1 330 . 2 . 1 72 72 GLN CB C 13 29.346 0.034 . 1 . . . . . 107 GLN CB . 50945 1 331 . 2 . 1 72 72 GLN N N 15 115.402 0.000 . 1 . . . . . 107 GLN N . 50945 1 332 . 2 . 1 73 73 GLU H H 1 7.952 0.000 . 1 . . . . . 108 GLU H . 50945 1 333 . 2 . 1 73 73 GLU C C 13 175.908 0.005 . 1 . . . . . 108 GLU C . 50945 1 334 . 2 . 1 73 73 GLU CA C 13 56.134 0.017 . 1 . . . . . 108 GLU CA . 50945 1 335 . 2 . 1 73 73 GLU CB C 13 28.555 0.005 . 1 . . . . . 108 GLU CB . 50945 1 336 . 2 . 1 73 73 GLU N N 15 115.737 0.000 . 1 . . . . . 108 GLU N . 50945 1 337 . 2 . 1 74 74 ILE H H 1 7.229 0.000 . 1 . . . . . 109 ILE H . 50945 1 338 . 2 . 1 74 74 ILE C C 13 175.616 0.004 . 1 . . . . . 109 ILE C . 50945 1 339 . 2 . 1 74 74 ILE CA C 13 61.646 0.007 . 1 . . . . . 109 ILE CA . 50945 1 340 . 2 . 1 74 74 ILE CB C 13 38.411 0.081 . 1 . . . . . 109 ILE CB . 50945 1 341 . 2 . 1 74 74 ILE N N 15 117.887 0.000 . 1 . . . . . 109 ILE N . 50945 1 342 . 2 . 1 75 75 ASN H H 1 8.578 0.000 . 1 . . . . . 110 ASN H . 50945 1 343 . 2 . 1 75 75 ASN C C 13 172.961 0.008 . 1 . . . . . 110 ASN C . 50945 1 344 . 2 . 1 75 75 ASN CA C 13 53.121 0.009 . 1 . . . . . 110 ASN CA . 50945 1 345 . 2 . 1 75 75 ASN CB C 13 35.954 0.018 . 1 . . . . . 110 ASN CB . 50945 1 346 . 2 . 1 75 75 ASN N N 15 115.551 0.000 . 1 . . . . . 110 ASN N . 50945 1 347 . 2 . 1 76 76 LEU H H 1 6.150 0.000 . 1 . . . . . 111 LEU H . 50945 1 348 . 2 . 1 76 76 LEU C C 13 172.628 0.000 . 1 . . . . . 111 LEU C . 50945 1 349 . 2 . 1 76 76 LEU CA C 13 50.851 0.000 . 1 . . . . . 111 LEU CA . 50945 1 350 . 2 . 1 76 76 LEU CB C 13 44.545 0.000 . 1 . . . . . 111 LEU CB . 50945 1 351 . 2 . 1 76 76 LEU N N 15 115.978 0.000 . 1 . . . . . 111 LEU N . 50945 1 352 . 2 . 1 77 77 PRO C C 13 175.100 0.000 . 1 . . . . . 112 PRO C . 50945 1 353 . 2 . 1 77 77 PRO CA C 13 61.567 0.000 . 1 . . . . . 112 PRO CA . 50945 1 354 . 2 . 1 77 77 PRO CB C 13 31.637 0.000 . 1 . . . . . 112 PRO CB . 50945 1 355 . 2 . 1 78 78 VAL H H 1 8.322 0.000 . 1 . . . . . 113 VAL H . 50945 1 356 . 2 . 1 78 78 VAL C C 13 175.303 0.060 . 1 . . . . . 113 VAL C . 50945 1 357 . 2 . 1 78 78 VAL CA C 13 60.629 0.031 . 1 . . . . . 113 VAL CA . 50945 1 358 . 2 . 1 78 78 VAL CB C 13 30.094 0.006 . 1 . . . . . 113 VAL CB . 50945 1 359 . 2 . 1 78 78 VAL N N 15 121.836 0.000 . 1 . . . . . 113 VAL N . 50945 1 360 . 2 . 1 79 79 ALA H H 1 9.036 0.000 . 1 . . . . . 114 ALA H . 50945 1 361 . 2 . 1 79 79 ALA C C 13 177.295 0.009 . 1 . . . . . 114 ALA C . 50945 1 362 . 2 . 1 79 79 ALA CA C 13 53.230 0.040 . 1 . . . . . 114 ALA CA . 50945 1 363 . 2 . 1 79 79 ALA CB C 13 21.115 0.010 . 1 . . . . . 114 ALA CB . 50945 1 364 . 2 . 1 79 79 ALA N N 15 129.780 0.000 . 1 . . . . . 114 ALA N . 50945 1 365 . 2 . 1 80 80 LEU H H 1 7.254 0.000 . 1 . . . . . 115 LEU H . 50945 1 366 . 2 . 1 80 80 LEU C C 13 173.000 0.001 . 1 . . . . . 115 LEU C . 50945 1 367 . 2 . 1 80 80 LEU CA C 13 53.617 0.008 . 1 . . . . . 115 LEU CA . 50945 1 368 . 2 . 1 80 80 LEU CB C 13 42.848 0.015 . 1 . . . . . 115 LEU CB . 50945 1 369 . 2 . 1 80 80 LEU N N 15 110.720 0.000 . 1 . . . . . 115 LEU N . 50945 1 370 . 2 . 1 81 81 ALA H H 1 8.663 0.000 . 1 . . . . . 116 ALA H . 50945 1 371 . 2 . 1 81 81 ALA C C 13 174.633 0.004 . 1 . . . . . 116 ALA C . 50945 1 372 . 2 . 1 81 81 ALA CA C 13 48.873 0.034 . 1 . . . . . 116 ALA CA . 50945 1 373 . 2 . 1 81 81 ALA CB C 13 23.507 0.011 . 1 . . . . . 116 ALA CB . 50945 1 374 . 2 . 1 81 81 ALA N N 15 120.649 0.000 . 1 . . . . . 116 ALA N . 50945 1 375 . 2 . 1 82 82 VAL H H 1 8.769 0.000 . 1 . . . . . 117 VAL H . 50945 1 376 . 2 . 1 82 82 VAL C C 13 172.888 0.004 . 1 . . . . . 117 VAL C . 50945 1 377 . 2 . 1 82 82 VAL CA C 13 58.392 0.024 . 1 . . . . . 117 VAL CA . 50945 1 378 . 2 . 1 82 82 VAL CB C 13 34.549 0.001 . 1 . . . . . 117 VAL CB . 50945 1 379 . 2 . 1 82 82 VAL N N 15 121.874 0.000 . 1 . . . . . 117 VAL N . 50945 1 380 . 2 . 1 83 83 VAL H H 1 8.040 0.000 . 1 . . . . . 118 VAL H . 50945 1 381 . 2 . 1 83 83 VAL C C 13 179.584 0.038 . 1 . . . . . 118 VAL C . 50945 1 382 . 2 . 1 83 83 VAL CA C 13 58.033 0.022 . 1 . . . . . 118 VAL CA . 50945 1 383 . 2 . 1 83 83 VAL CB C 13 33.234 0.026 . 1 . . . . . 118 VAL CB . 50945 1 384 . 2 . 1 83 83 VAL N N 15 119.459 0.000 . 1 . . . . . 118 VAL N . 50945 1 385 . 2 . 1 84 84 THR H H 1 10.417 0.000 . 1 . . . . . 119 THR H . 50945 1 386 . 2 . 1 84 84 THR C C 13 176.659 0.024 . 1 . . . . . 119 THR C . 50945 1 387 . 2 . 1 84 84 THR CA C 13 64.825 0.022 . 1 . . . . . 119 THR CA . 50945 1 388 . 2 . 1 84 84 THR CB C 13 69.919 0.021 . 1 . . . . . 119 THR CB . 50945 1 389 . 2 . 1 84 84 THR N N 15 112.782 0.000 . 1 . . . . . 119 THR N . 50945 1 390 . 2 . 1 85 85 HIS H H 1 6.815 0.000 . 1 . . . . . 120 HIS H . 50945 1 391 . 2 . 1 85 85 HIS C C 13 171.355 0.018 . 1 . . . . . 120 HIS C . 50945 1 392 . 2 . 1 85 85 HIS CA C 13 57.734 0.003 . 1 . . . . . 120 HIS CA . 50945 1 393 . 2 . 1 85 85 HIS CB C 13 28.329 0.028 . 1 . . . . . 120 HIS CB . 50945 1 394 . 2 . 1 85 85 HIS N N 15 107.810 0.000 . 1 . . . . . 120 HIS N . 50945 1 395 . 2 . 1 86 86 ALA H H 1 8.618 0.000 . 1 . . . . . 121 ALA H . 50945 1 396 . 2 . 1 86 86 ALA C C 13 174.753 0.016 . 1 . . . . . 121 ALA C . 50945 1 397 . 2 . 1 86 86 ALA CA C 13 50.931 0.034 . 1 . . . . . 121 ALA CA . 50945 1 398 . 2 . 1 86 86 ALA CB C 13 16.804 0.005 . 1 . . . . . 121 ALA CB . 50945 1 399 . 2 . 1 86 86 ALA N N 15 121.893 0.000 . 1 . . . . . 121 ALA N . 50945 1 400 . 2 . 1 87 87 HIS H H 1 7.042 0.000 . 1 . . . . . 122 HIS H . 50945 1 401 . 2 . 1 87 87 HIS C C 13 176.501 0.055 . 1 . . . . . 122 HIS C . 50945 1 402 . 2 . 1 87 87 HIS CA C 13 52.263 0.030 . 1 . . . . . 122 HIS CA . 50945 1 403 . 2 . 1 87 87 HIS CB C 13 36.570 0.016 . 1 . . . . . 122 HIS CB . 50945 1 404 . 2 . 1 87 87 HIS N N 15 118.223 0.000 . 1 . . . . . 122 HIS N . 50945 1 405 . 2 . 1 88 88 GLN H H 1 9.352 0.000 . 1 . . . . . 123 GLN H . 50945 1 406 . 2 . 1 88 88 GLN C C 13 174.145 0.041 . 1 . . . . . 123 GLN C . 50945 1 407 . 2 . 1 88 88 GLN CA C 13 59.284 0.024 . 1 . . . . . 123 GLN CA . 50945 1 408 . 2 . 1 88 88 GLN CB C 13 28.393 0.002 . 1 . . . . . 123 GLN CB . 50945 1 409 . 2 . 1 88 88 GLN N N 15 123.380 0.000 . 1 . . . . . 123 GLN N . 50945 1 410 . 2 . 1 89 89 ASP H H 1 8.882 0.000 . 1 . . . . . 124 ASP H . 50945 1 411 . 2 . 1 89 89 ASP CA C 13 54.632 0.000 . 1 . . . . . 124 ASP CA . 50945 1 412 . 2 . 1 89 89 ASP CB C 13 32.848 0.000 . 1 . . . . . 124 ASP CB . 50945 1 413 . 2 . 1 89 89 ASP N N 15 109.126 0.000 . 1 . . . . . 124 ASP N . 50945 1 414 . 2 . 1 91 91 MET CA C 13 54.617 0.000 . 1 . . . . . 126 MET CA . 50945 1 415 . 2 . 1 91 91 MET CB C 13 36.018 0.000 . 1 . . . . . 126 MET CB . 50945 1 416 . 2 . 1 92 92 GLY H H 1 7.845 0.000 . 1 . . . . . 127 GLY H . 50945 1 417 . 2 . 1 92 92 GLY C C 13 173.247 0.014 . 1 . . . . . 127 GLY C . 50945 1 418 . 2 . 1 92 92 GLY CA C 13 46.698 0.011 . 1 . . . . . 127 GLY CA . 50945 1 419 . 2 . 1 92 92 GLY N N 15 111.861 0.000 . 1 . . . . . 127 GLY N . 50945 1 420 . 2 . 1 93 93 GLY H H 1 7.943 0.000 . 1 . . . . . 128 GLY H . 50945 1 421 . 2 . 1 93 93 GLY C C 13 174.910 0.000 . 1 . . . . . 128 GLY C . 50945 1 422 . 2 . 1 93 93 GLY CA C 13 43.990 0.008 . 1 . . . . . 128 GLY CA . 50945 1 423 . 2 . 1 93 93 GLY N N 15 105.360 0.000 . 1 . . . . . 128 GLY N . 50945 1 424 . 2 . 1 94 94 MET H H 1 6.552 0.000 . 1 . . . . . 129 MET H . 50945 1 425 . 2 . 1 94 94 MET C C 13 177.642 0.014 . 1 . . . . . 129 MET C . 50945 1 426 . 2 . 1 94 94 MET CA C 13 56.335 0.039 . 1 . . . . . 129 MET CA . 50945 1 427 . 2 . 1 94 94 MET CB C 13 30.836 0.008 . 1 . . . . . 129 MET CB . 50945 1 428 . 2 . 1 94 94 MET N N 15 116.398 0.000 . 1 . . . . . 129 MET N . 50945 1 429 . 2 . 1 95 95 ASP H H 1 8.814 0.000 . 1 . . . . . 130 ASP H . 50945 1 430 . 2 . 1 95 95 ASP C C 13 178.462 0.013 . 1 . . . . . 130 ASP C . 50945 1 431 . 2 . 1 95 95 ASP CA C 13 57.465 0.060 . 1 . . . . . 130 ASP CA . 50945 1 432 . 2 . 1 95 95 ASP CB C 13 40.059 0.029 . 1 . . . . . 130 ASP CB . 50945 1 433 . 2 . 1 95 95 ASP N N 15 117.875 0.000 . 1 . . . . . 130 ASP N . 50945 1 434 . 2 . 1 96 96 ALA H H 1 7.577 0.000 . 1 . . . . . 131 ALA H . 50945 1 435 . 2 . 1 96 96 ALA C C 13 180.268 0.007 . 1 . . . . . 131 ALA C . 50945 1 436 . 2 . 1 96 96 ALA CA C 13 54.212 0.044 . 1 . . . . . 131 ALA CA . 50945 1 437 . 2 . 1 96 96 ALA CB C 13 18.242 0.007 . 1 . . . . . 131 ALA CB . 50945 1 438 . 2 . 1 96 96 ALA N N 15 121.640 0.000 . 1 . . . . . 131 ALA N . 50945 1 439 . 2 . 1 97 97 LEU H H 1 7.024 0.000 . 1 . . . . . 132 LEU H . 50945 1 440 . 2 . 1 97 97 LEU C C 13 178.502 0.033 . 1 . . . . . 132 LEU C . 50945 1 441 . 2 . 1 97 97 LEU CA C 13 56.780 0.025 . 1 . . . . . 132 LEU CA . 50945 1 442 . 2 . 1 97 97 LEU CB C 13 39.658 0.032 . 1 . . . . . 132 LEU CB . 50945 1 443 . 2 . 1 97 97 LEU N N 15 115.346 0.000 . 1 . . . . . 132 LEU N . 50945 1 444 . 2 . 1 98 98 HIS H H 1 8.146 0.000 . 1 . . . . . 133 HIS H . 50945 1 445 . 2 . 1 98 98 HIS C C 13 179.656 0.009 . 1 . . . . . 133 HIS C . 50945 1 446 . 2 . 1 98 98 HIS CA C 13 56.443 0.021 . 1 . . . . . 133 HIS CA . 50945 1 447 . 2 . 1 98 98 HIS CB C 13 27.507 0.002 . 1 . . . . . 133 HIS CB . 50945 1 448 . 2 . 1 98 98 HIS N N 15 120.636 0.000 . 1 . . . . . 133 HIS N . 50945 1 449 . 2 . 1 99 99 ALA H H 1 8.756 0.000 . 1 . . . . . 134 ALA H . 50945 1 450 . 2 . 1 99 99 ALA C C 13 177.932 0.008 . 1 . . . . . 134 ALA C . 50945 1 451 . 2 . 1 99 99 ALA CA C 13 54.072 0.016 . 1 . . . . . 134 ALA CA . 50945 1 452 . 2 . 1 99 99 ALA CB C 13 17.186 0.006 . 1 . . . . . 134 ALA CB . 50945 1 453 . 2 . 1 99 99 ALA N N 15 124.807 0.000 . 1 . . . . . 134 ALA N . 50945 1 454 . 2 . 1 100 100 ALA H H 1 6.948 0.000 . 1 . . . . . 135 ALA H . 50945 1 455 . 2 . 1 100 100 ALA C C 13 176.908 0.011 . 1 . . . . . 135 ALA C . 50945 1 456 . 2 . 1 100 100 ALA CA C 13 51.008 0.007 . 1 . . . . . 135 ALA CA . 50945 1 457 . 2 . 1 100 100 ALA CB C 13 18.860 0.006 . 1 . . . . . 135 ALA CB . 50945 1 458 . 2 . 1 100 100 ALA N N 15 118.373 0.000 . 1 . . . . . 135 ALA N . 50945 1 459 . 2 . 1 101 101 GLY H H 1 7.868 0.000 . 1 . . . . . 136 GLY H . 50945 1 460 . 2 . 1 101 101 GLY C C 13 173.715 0.004 . 1 . . . . . 136 GLY C . 50945 1 461 . 2 . 1 101 101 GLY CA C 13 45.385 0.024 . 1 . . . . . 136 GLY CA . 50945 1 462 . 2 . 1 101 101 GLY N N 15 108.161 0.000 . 1 . . . . . 136 GLY N . 50945 1 463 . 2 . 1 102 102 ILE H H 1 7.534 0.000 . 1 . . . . . 137 ILE H . 50945 1 464 . 2 . 1 102 102 ILE C C 13 174.311 0.002 . 1 . . . . . 137 ILE C . 50945 1 465 . 2 . 1 102 102 ILE CA C 13 60.625 0.006 . 1 . . . . . 137 ILE CA . 50945 1 466 . 2 . 1 102 102 ILE CB C 13 38.304 0.044 . 1 . . . . . 137 ILE CB . 50945 1 467 . 2 . 1 102 102 ILE N N 15 122.453 0.000 . 1 . . . . . 137 ILE N . 50945 1 468 . 2 . 1 103 103 ALA H H 1 7.663 0.000 . 1 . . . . . 138 ALA H . 50945 1 469 . 2 . 1 103 103 ALA C C 13 176.512 0.007 . 1 . . . . . 138 ALA C . 50945 1 470 . 2 . 1 103 103 ALA CA C 13 51.817 0.017 . 1 . . . . . 138 ALA CA . 50945 1 471 . 2 . 1 103 103 ALA CB C 13 19.394 0.031 . 1 . . . . . 138 ALA CB . 50945 1 472 . 2 . 1 103 103 ALA N N 15 130.582 0.000 . 1 . . . . . 138 ALA N . 50945 1 473 . 2 . 1 104 104 THR H H 1 7.162 0.000 . 1 . . . . . 139 THR H . 50945 1 474 . 2 . 1 104 104 THR C C 13 173.393 0.032 . 1 . . . . . 139 THR C . 50945 1 475 . 2 . 1 104 104 THR CA C 13 58.754 0.020 . 1 . . . . . 139 THR CA . 50945 1 476 . 2 . 1 104 104 THR CB C 13 71.174 0.009 . 1 . . . . . 139 THR CB . 50945 1 477 . 2 . 1 104 104 THR N N 15 109.839 0.000 . 1 . . . . . 139 THR N . 50945 1 478 . 2 . 1 105 105 TYR H H 1 8.824 0.000 . 1 . . . . . 140 TYR H . 50945 1 479 . 2 . 1 105 105 TYR C C 13 173.394 0.016 . 1 . . . . . 140 TYR C . 50945 1 480 . 2 . 1 105 105 TYR CA C 13 56.503 0.008 . 1 . . . . . 140 TYR CA . 50945 1 481 . 2 . 1 105 105 TYR CB C 13 42.656 0.011 . 1 . . . . . 140 TYR CB . 50945 1 482 . 2 . 1 105 105 TYR N N 15 119.981 0.000 . 1 . . . . . 140 TYR N . 50945 1 483 . 2 . 1 106 106 ALA H H 1 8.063 0.000 . 1 . . . . . 141 ALA H . 50945 1 484 . 2 . 1 106 106 ALA C C 13 175.492 0.000 . 1 . . . . . 141 ALA C . 50945 1 485 . 2 . 1 106 106 ALA CA C 13 49.966 0.017 . 1 . . . . . 141 ALA CA . 50945 1 486 . 2 . 1 106 106 ALA CB C 13 23.097 0.034 . 1 . . . . . 141 ALA CB . 50945 1 487 . 2 . 1 106 106 ALA N N 15 119.332 0.000 . 1 . . . . . 141 ALA N . 50945 1 488 . 2 . 1 107 107 ASN H H 1 10.197 0.000 . 1 . . . . . 142 ASN H . 50945 1 489 . 2 . 1 107 107 ASN C C 13 175.698 0.018 . 1 . . . . . 142 ASN C . 50945 1 490 . 2 . 1 107 107 ASN CA C 13 53.579 0.011 . 1 . . . . . 142 ASN CA . 50945 1 491 . 2 . 1 107 107 ASN CB C 13 36.626 0.023 . 1 . . . . . 142 ASN CB . 50945 1 492 . 2 . 1 107 107 ASN N N 15 120.305 0.000 . 1 . . . . . 142 ASN N . 50945 1 493 . 2 . 1 108 108 ALA H H 1 9.270 0.000 . 1 . . . . . 143 ALA H . 50945 1 494 . 2 . 1 108 108 ALA C C 13 179.766 0.008 . 1 . . . . . 143 ALA C . 50945 1 495 . 2 . 1 108 108 ALA CA C 13 55.372 0.028 . 1 . . . . . 143 ALA CA . 50945 1 496 . 2 . 1 108 108 ALA CB C 13 17.975 0.042 . 1 . . . . . 143 ALA CB . 50945 1 497 . 2 . 1 108 108 ALA N N 15 134.335 0.000 . 1 . . . . . 143 ALA N . 50945 1 498 . 2 . 1 109 109 LEU H H 1 7.298 0.000 . 1 . . . . . 144 LEU H . 50945 1 499 . 2 . 1 109 109 LEU C C 13 178.615 0.005 . 1 . . . . . 144 LEU C . 50945 1 500 . 2 . 1 109 109 LEU CA C 13 56.618 0.016 . 1 . . . . . 144 LEU CA . 50945 1 501 . 2 . 1 109 109 LEU CB C 13 41.621 0.009 . 1 . . . . . 144 LEU CB . 50945 1 502 . 2 . 1 109 109 LEU N N 15 114.765 0.000 . 1 . . . . . 144 LEU N . 50945 1 503 . 2 . 1 110 110 SER H H 1 7.327 0.000 . 1 . . . . . 145 SER H . 50945 1 504 . 2 . 1 110 110 SER C C 13 174.783 0.000 . 1 . . . . . 145 SER C . 50945 1 505 . 2 . 1 110 110 SER CA C 13 60.574 0.022 . 1 . . . . . 145 SER CA . 50945 1 506 . 2 . 1 110 110 SER CB C 13 61.583 0.000 . 1 . . . . . 145 SER CB . 50945 1 507 . 2 . 1 110 110 SER N N 15 114.743 0.000 . 1 . . . . . 145 SER N . 50945 1 508 . 2 . 1 111 111 ASN H H 1 7.233 0.000 . 1 . . . . . 146 ASN H . 50945 1 509 . 2 . 1 111 111 ASN C C 13 176.276 0.011 . 1 . . . . . 146 ASN C . 50945 1 510 . 2 . 1 111 111 ASN CA C 13 54.561 0.033 . 1 . . . . . 146 ASN CA . 50945 1 511 . 2 . 1 111 111 ASN CB C 13 36.692 0.002 . 1 . . . . . 146 ASN CB . 50945 1 512 . 2 . 1 111 111 ASN N N 15 117.905 0.000 . 1 . . . . . 146 ASN N . 50945 1 513 . 2 . 1 112 112 GLN H H 1 7.393 0.000 . 1 . . . . . 147 GLN H . 50945 1 514 . 2 . 1 112 112 GLN C C 13 177.414 0.016 . 1 . . . . . 147 GLN C . 50945 1 515 . 2 . 1 112 112 GLN CA C 13 57.328 0.006 . 1 . . . . . 147 GLN CA . 50945 1 516 . 2 . 1 112 112 GLN CB C 13 28.174 0.044 . 1 . . . . . 147 GLN CB . 50945 1 517 . 2 . 1 112 112 GLN N N 15 119.515 0.000 . 1 . . . . . 147 GLN N . 50945 1 518 . 2 . 1 113 113 LEU H H 1 7.680 0.000 . 1 . . . . . 148 LEU H . 50945 1 519 . 2 . 1 113 113 LEU C C 13 177.971 0.010 . 1 . . . . . 148 LEU C . 50945 1 520 . 2 . 1 113 113 LEU CA C 13 56.085 0.054 . 1 . . . . . 148 LEU CA . 50945 1 521 . 2 . 1 113 113 LEU CB C 13 42.369 0.019 . 1 . . . . . 148 LEU CB . 50945 1 522 . 2 . 1 113 113 LEU N N 15 119.029 0.000 . 1 . . . . . 148 LEU N . 50945 1 523 . 2 . 1 114 114 ALA H H 1 7.945 0.000 . 1 . . . . . 149 ALA H . 50945 1 524 . 2 . 1 114 114 ALA CA C 13 57.208 0.000 . 1 . . . . . 149 ALA CA . 50945 1 525 . 2 . 1 114 114 ALA CB C 13 14.038 0.000 . 1 . . . . . 149 ALA CB . 50945 1 526 . 2 . 1 114 114 ALA N N 15 120.073 0.000 . 1 . . . . . 149 ALA N . 50945 1 527 . 2 . 1 115 115 PRO C C 13 179.750 0.000 . 1 . . . . . 150 PRO C . 50945 1 528 . 2 . 1 115 115 PRO CA C 13 65.138 0.000 . 1 . . . . . 150 PRO CA . 50945 1 529 . 2 . 1 115 115 PRO CB C 13 30.097 0.000 . 1 . . . . . 150 PRO CB . 50945 1 530 . 2 . 1 116 116 GLN H H 1 7.373 0.000 . 1 . . . . . 151 GLN H . 50945 1 531 . 2 . 1 116 116 GLN C C 13 176.647 0.010 . 1 . . . . . 151 GLN C . 50945 1 532 . 2 . 1 116 116 GLN CA C 13 57.412 0.001 . 1 . . . . . 151 GLN CA . 50945 1 533 . 2 . 1 116 116 GLN CB C 13 27.774 0.023 . 1 . . . . . 151 GLN CB . 50945 1 534 . 2 . 1 116 116 GLN N N 15 117.201 0.000 . 1 . . . . . 151 GLN N . 50945 1 535 . 2 . 1 117 117 GLU H H 1 7.500 0.000 . 1 . . . . . 152 GLU H . 50945 1 536 . 2 . 1 117 117 GLU C C 13 175.806 0.004 . 1 . . . . . 152 GLU C . 50945 1 537 . 2 . 1 117 117 GLU CA C 13 54.144 0.022 . 1 . . . . . 152 GLU CA . 50945 1 538 . 2 . 1 117 117 GLU CB C 13 29.709 0.006 . 1 . . . . . 152 GLU CB . 50945 1 539 . 2 . 1 117 117 GLU N N 15 117.292 0.000 . 1 . . . . . 152 GLU N . 50945 1 540 . 2 . 1 118 118 GLY H H 1 7.580 0.000 . 1 . . . . . 153 GLY H . 50945 1 541 . 2 . 1 118 118 GLY C C 13 173.855 0.040 . 1 . . . . . 153 GLY C . 50945 1 542 . 2 . 1 118 118 GLY CA C 13 45.342 0.006 . 1 . . . . . 153 GLY CA . 50945 1 543 . 2 . 1 118 118 GLY N N 15 107.026 0.000 . 1 . . . . . 153 GLY N . 50945 1 544 . 2 . 1 119 119 MET H H 1 7.856 0.000 . 1 . . . . . 154 MET H . 50945 1 545 . 2 . 1 119 119 MET C C 13 173.723 0.013 . 1 . . . . . 154 MET C . 50945 1 546 . 2 . 1 119 119 MET CA C 13 52.499 0.018 . 1 . . . . . 154 MET CA . 50945 1 547 . 2 . 1 119 119 MET CB C 13 35.961 0.004 . 1 . . . . . 154 MET CB . 50945 1 548 . 2 . 1 119 119 MET N N 15 119.190 0.000 . 1 . . . . . 154 MET N . 50945 1 549 . 2 . 1 120 120 VAL H H 1 8.223 0.000 . 1 . . . . . 155 VAL H . 50945 1 550 . 2 . 1 120 120 VAL C C 13 173.238 0.003 . 1 . . . . . 155 VAL C . 50945 1 551 . 2 . 1 120 120 VAL CA C 13 61.532 0.021 . 1 . . . . . 155 VAL CA . 50945 1 552 . 2 . 1 120 120 VAL CB C 13 32.451 0.029 . 1 . . . . . 155 VAL CB . 50945 1 553 . 2 . 1 120 120 VAL N N 15 123.881 0.000 . 1 . . . . . 155 VAL N . 50945 1 554 . 2 . 1 121 121 ALA H H 1 7.634 0.000 . 1 . . . . . 156 ALA H . 50945 1 555 . 2 . 1 121 121 ALA C C 13 177.755 0.000 . 1 . . . . . 156 ALA C . 50945 1 556 . 2 . 1 121 121 ALA CA C 13 51.513 0.024 . 1 . . . . . 156 ALA CA . 50945 1 557 . 2 . 1 121 121 ALA CB C 13 18.732 0.002 . 1 . . . . . 156 ALA CB . 50945 1 558 . 2 . 1 121 121 ALA N N 15 123.935 0.000 . 1 . . . . . 156 ALA N . 50945 1 559 . 2 . 1 122 122 ALA H H 1 7.536 0.000 . 1 . . . . . 157 ALA H . 50945 1 560 . 2 . 1 122 122 ALA C C 13 175.803 0.006 . 1 . . . . . 157 ALA C . 50945 1 561 . 2 . 1 122 122 ALA CA C 13 50.689 0.003 . 1 . . . . . 157 ALA CA . 50945 1 562 . 2 . 1 122 122 ALA CB C 13 18.978 0.001 . 1 . . . . . 157 ALA CB . 50945 1 563 . 2 . 1 122 122 ALA N N 15 119.481 0.000 . 1 . . . . . 157 ALA N . 50945 1 564 . 2 . 1 123 123 GLN H H 1 8.479 0.000 . 1 . . . . . 158 GLN H . 50945 1 565 . 2 . 1 123 123 GLN C C 13 175.601 0.011 . 1 . . . . . 158 GLN C . 50945 1 566 . 2 . 1 123 123 GLN CA C 13 56.807 0.011 . 1 . . . . . 158 GLN CA . 50945 1 567 . 2 . 1 123 123 GLN CB C 13 28.323 0.024 . 1 . . . . . 158 GLN CB . 50945 1 568 . 2 . 1 123 123 GLN N N 15 118.871 0.000 . 1 . . . . . 158 GLN N . 50945 1 569 . 2 . 1 124 124 HIS H H 1 7.826 0.000 . 1 . . . . . 159 HIS H . 50945 1 570 . 2 . 1 124 124 HIS C C 13 175.023 0.015 . 1 . . . . . 159 HIS C . 50945 1 571 . 2 . 1 124 124 HIS CA C 13 53.657 0.018 . 1 . . . . . 159 HIS CA . 50945 1 572 . 2 . 1 124 124 HIS CB C 13 32.405 0.039 . 1 . . . . . 159 HIS CB . 50945 1 573 . 2 . 1 124 124 HIS N N 15 114.987 0.000 . 1 . . . . . 159 HIS N . 50945 1 574 . 2 . 1 125 125 SER H H 1 8.942 0.000 . 1 . . . . . 160 SER H . 50945 1 575 . 2 . 1 125 125 SER C C 13 173.369 0.003 . 1 . . . . . 160 SER C . 50945 1 576 . 2 . 1 125 125 SER CA C 13 56.939 0.020 . 1 . . . . . 160 SER CA . 50945 1 577 . 2 . 1 125 125 SER CB C 13 64.476 0.046 . 1 . . . . . 160 SER CB . 50945 1 578 . 2 . 1 125 125 SER N N 15 119.074 0.000 . 1 . . . . . 160 SER N . 50945 1 579 . 2 . 1 126 126 LEU H H 1 9.095 0.000 . 1 . . . . . 161 LEU H . 50945 1 580 . 2 . 1 126 126 LEU C C 13 175.227 0.005 . 1 . . . . . 161 LEU C . 50945 1 581 . 2 . 1 126 126 LEU CA C 13 52.983 0.062 . 1 . . . . . 161 LEU CA . 50945 1 582 . 2 . 1 126 126 LEU CB C 13 43.250 0.035 . 1 . . . . . 161 LEU CB . 50945 1 583 . 2 . 1 126 126 LEU N N 15 126.086 0.000 . 1 . . . . . 161 LEU N . 50945 1 584 . 2 . 1 127 127 THR H H 1 7.419 0.000 . 1 . . . . . 162 THR H . 50945 1 585 . 2 . 1 127 127 THR C C 13 171.713 0.003 . 1 . . . . . 162 THR C . 50945 1 586 . 2 . 1 127 127 THR CA C 13 59.661 0.021 . 1 . . . . . 162 THR CA . 50945 1 587 . 2 . 1 127 127 THR CB C 13 69.934 0.023 . 1 . . . . . 162 THR CB . 50945 1 588 . 2 . 1 127 127 THR N N 15 113.045 0.000 . 1 . . . . . 162 THR N . 50945 1 589 . 2 . 1 128 128 PHE H H 1 8.588 0.000 . 1 . . . . . 163 PHE H . 50945 1 590 . 2 . 1 128 128 PHE C C 13 174.802 0.001 . 1 . . . . . 163 PHE C . 50945 1 591 . 2 . 1 128 128 PHE CA C 13 57.380 0.030 . 1 . . . . . 163 PHE CA . 50945 1 592 . 2 . 1 128 128 PHE CB C 13 41.293 0.042 . 1 . . . . . 163 PHE CB . 50945 1 593 . 2 . 1 128 128 PHE N N 15 118.723 0.000 . 1 . . . . . 163 PHE N . 50945 1 594 . 2 . 1 129 129 ALA H H 1 8.653 0.000 . 1 . . . . . 164 ALA H . 50945 1 595 . 2 . 1 129 129 ALA C C 13 178.395 0.000 . 1 . . . . . 164 ALA C . 50945 1 596 . 2 . 1 129 129 ALA CA C 13 50.656 0.000 . 1 . . . . . 164 ALA CA . 50945 1 597 . 2 . 1 129 129 ALA CB C 13 19.522 0.000 . 1 . . . . . 164 ALA CB . 50945 1 598 . 2 . 1 129 129 ALA N N 15 125.247 0.000 . 1 . . . . . 164 ALA N . 50945 1 599 . 2 . 1 130 130 ALA C C 13 177.827 0.000 . 1 . . . . . 165 ALA C . 50945 1 600 . 2 . 1 130 130 ALA CA C 13 54.385 0.000 . 1 . . . . . 165 ALA CA . 50945 1 601 . 2 . 1 130 130 ALA CB C 13 17.217 0.000 . 1 . . . . . 165 ALA CB . 50945 1 602 . 2 . 1 131 131 ASN H H 1 7.582 0.000 . 1 . . . . . 166 ASN H . 50945 1 603 . 2 . 1 131 131 ASN C C 13 175.161 0.000 . 1 . . . . . 166 ASN C . 50945 1 604 . 2 . 1 131 131 ASN CA C 13 51.799 0.007 . 1 . . . . . 166 ASN CA . 50945 1 605 . 2 . 1 131 131 ASN CB C 13 36.850 0.023 . 1 . . . . . 166 ASN CB . 50945 1 606 . 2 . 1 131 131 ASN N N 15 112.178 0.000 . 1 . . . . . 166 ASN N . 50945 1 607 . 2 . 1 132 132 GLY H H 1 7.954 0.000 . 1 . . . . . 167 GLY H . 50945 1 608 . 2 . 1 132 132 GLY C C 13 173.508 0.006 . 1 . . . . . 167 GLY C . 50945 1 609 . 2 . 1 132 132 GLY CA C 13 45.396 0.002 . 1 . . . . . 167 GLY CA . 50945 1 610 . 2 . 1 132 132 GLY N N 15 107.690 0.000 . 1 . . . . . 167 GLY N . 50945 1 611 . 2 . 1 133 133 TRP H H 1 7.585 0.000 . 1 . . . . . 168 TRP H . 50945 1 612 . 2 . 1 133 133 TRP C C 13 176.792 0.005 . 1 . . . . . 168 TRP C . 50945 1 613 . 2 . 1 133 133 TRP CA C 13 57.359 0.031 . 1 . . . . . 168 TRP CA . 50945 1 614 . 2 . 1 133 133 TRP CB C 13 29.230 0.008 . 1 . . . . . 168 TRP CB . 50945 1 615 . 2 . 1 133 133 TRP N N 15 121.641 0.000 . 1 . . . . . 168 TRP N . 50945 1 616 . 2 . 1 134 134 VAL H H 1 8.069 0.000 . 1 . . . . . 169 VAL H . 50945 1 617 . 2 . 1 134 134 VAL C C 13 173.871 0.006 . 1 . . . . . 169 VAL C . 50945 1 618 . 2 . 1 134 134 VAL CA C 13 61.398 0.013 . 1 . . . . . 169 VAL CA . 50945 1 619 . 2 . 1 134 134 VAL CB C 13 31.736 0.060 . 1 . . . . . 169 VAL CB . 50945 1 620 . 2 . 1 134 134 VAL N N 15 122.302 0.000 . 1 . . . . . 169 VAL N . 50945 1 621 . 2 . 1 135 135 GLU H H 1 8.592 0.000 . 1 . . . . . 170 GLU H . 50945 1 622 . 2 . 1 135 135 GLU C C 13 176.092 0.000 . 1 . . . . . 170 GLU C . 50945 1 623 . 2 . 1 135 135 GLU CA C 13 53.659 0.000 . 1 . . . . . 170 GLU CA . 50945 1 624 . 2 . 1 135 135 GLU CB C 13 28.205 0.000 . 1 . . . . . 170 GLU CB . 50945 1 625 . 2 . 1 135 135 GLU N N 15 128.835 0.000 . 1 . . . . . 170 GLU N . 50945 1 626 . 2 . 1 136 136 PRO C C 13 177.932 0.000 . 1 . . . . . 171 PRO C . 50945 1 627 . 2 . 1 136 136 PRO CA C 13 64.945 0.000 . 1 . . . . . 171 PRO CA . 50945 1 628 . 2 . 1 136 136 PRO CB C 13 31.547 0.000 . 1 . . . . . 171 PRO CB . 50945 1 629 . 2 . 1 137 137 ALA H H 1 8.615 0.000 . 1 . . . . . 172 ALA H . 50945 1 630 . 2 . 1 137 137 ALA C C 13 178.488 0.005 . 1 . . . . . 172 ALA C . 50945 1 631 . 2 . 1 137 137 ALA CA C 13 53.855 0.029 . 1 . . . . . 172 ALA CA . 50945 1 632 . 2 . 1 137 137 ALA CB C 13 17.943 0.021 . 1 . . . . . 172 ALA CB . 50945 1 633 . 2 . 1 137 137 ALA N N 15 118.928 0.000 . 1 . . . . . 172 ALA N . 50945 1 634 . 2 . 1 138 138 THR H H 1 7.805 0.000 . 1 . . . . . 173 THR H . 50945 1 635 . 2 . 1 138 138 THR C C 13 171.495 0.011 . 1 . . . . . 173 THR C . 50945 1 636 . 2 . 1 138 138 THR CA C 13 60.567 0.042 . 1 . . . . . 173 THR CA . 50945 1 637 . 2 . 1 138 138 THR CB C 13 69.708 0.030 . 1 . . . . . 173 THR CB . 50945 1 638 . 2 . 1 138 138 THR N N 15 105.192 0.000 . 1 . . . . . 173 THR N . 50945 1 639 . 2 . 1 139 139 ALA H H 1 6.769 0.000 . 1 . . . . . 174 ALA H . 50945 1 640 . 2 . 1 139 139 ALA C C 13 172.269 0.000 . 1 . . . . . 174 ALA C . 50945 1 641 . 2 . 1 139 139 ALA CA C 13 48.573 0.000 . 1 . . . . . 174 ALA CA . 50945 1 642 . 2 . 1 139 139 ALA CB C 13 18.253 0.000 . 1 . . . . . 174 ALA CB . 50945 1 643 . 2 . 1 139 139 ALA N N 15 124.526 0.000 . 1 . . . . . 174 ALA N . 50945 1 644 . 2 . 1 140 140 PRO C C 13 176.316 0.000 . 1 . . . . . 175 PRO C . 50945 1 645 . 2 . 1 140 140 PRO CA C 13 62.009 0.000 . 1 . . . . . 175 PRO CA . 50945 1 646 . 2 . 1 140 140 PRO CB C 13 30.977 0.000 . 1 . . . . . 175 PRO CB . 50945 1 647 . 2 . 1 141 141 ASN H H 1 8.547 0.000 . 1 . . . . . 176 ASN H . 50945 1 648 . 2 . 1 141 141 ASN C C 13 175.118 0.009 . 1 . . . . . 176 ASN C . 50945 1 649 . 2 . 1 141 141 ASN CA C 13 52.668 0.003 . 1 . . . . . 176 ASN CA . 50945 1 650 . 2 . 1 141 141 ASN CB C 13 36.549 0.016 . 1 . . . . . 176 ASN CB . 50945 1 651 . 2 . 1 141 141 ASN N N 15 116.096 0.000 . 1 . . . . . 176 ASN N . 50945 1 652 . 2 . 1 142 142 PHE H H 1 8.036 0.000 . 1 . . . . . 177 PHE H . 50945 1 653 . 2 . 1 142 142 PHE C C 13 175.950 0.011 . 1 . . . . . 177 PHE C . 50945 1 654 . 2 . 1 142 142 PHE CA C 13 57.986 0.068 . 1 . . . . . 177 PHE CA . 50945 1 655 . 2 . 1 142 142 PHE CB C 13 37.837 0.035 . 1 . . . . . 177 PHE CB . 50945 1 656 . 2 . 1 142 142 PHE N N 15 122.679 0.000 . 1 . . . . . 177 PHE N . 50945 1 657 . 2 . 1 143 143 GLY H H 1 8.278 0.000 . 1 . . . . . 178 GLY H . 50945 1 658 . 2 . 1 143 143 GLY C C 13 172.660 0.000 . 1 . . . . . 178 GLY C . 50945 1 659 . 2 . 1 143 143 GLY CA C 13 44.344 0.000 . 1 . . . . . 178 GLY CA . 50945 1 660 . 2 . 1 143 143 GLY N N 15 108.280 0.000 . 1 . . . . . 178 GLY N . 50945 1 661 . 2 . 1 144 144 PRO C C 13 175.357 0.000 . 1 . . . . . 179 PRO C . 50945 1 662 . 2 . 1 144 144 PRO CA C 13 62.409 0.000 . 1 . . . . . 179 PRO CA . 50945 1 663 . 2 . 1 144 144 PRO CB C 13 32.045 0.000 . 1 . . . . . 179 PRO CB . 50945 1 664 . 2 . 1 145 145 LEU H H 1 7.687 0.000 . 1 . . . . . 180 LEU H . 50945 1 665 . 2 . 1 145 145 LEU C C 13 175.023 0.004 . 1 . . . . . 180 LEU C . 50945 1 666 . 2 . 1 145 145 LEU CA C 13 54.868 0.020 . 1 . . . . . 180 LEU CA . 50945 1 667 . 2 . 1 145 145 LEU CB C 13 40.649 0.026 . 1 . . . . . 180 LEU CB . 50945 1 668 . 2 . 1 145 145 LEU N N 15 120.124 0.000 . 1 . . . . . 180 LEU N . 50945 1 669 . 2 . 1 146 146 LYS H H 1 8.988 0.000 . 1 . . . . . 181 LYS H . 50945 1 670 . 2 . 1 146 146 LYS C C 13 175.344 0.001 . 1 . . . . . 181 LYS C . 50945 1 671 . 2 . 1 146 146 LYS CA C 13 53.572 0.015 . 1 . . . . . 181 LYS CA . 50945 1 672 . 2 . 1 146 146 LYS CB C 13 32.493 0.006 . 1 . . . . . 181 LYS CB . 50945 1 673 . 2 . 1 146 146 LYS N N 15 127.559 0.000 . 1 . . . . . 181 LYS N . 50945 1 674 . 2 . 1 147 147 VAL H H 1 8.404 0.000 . 1 . . . . . 182 VAL H . 50945 1 675 . 2 . 1 147 147 VAL C C 13 172.663 0.005 . 1 . . . . . 182 VAL C . 50945 1 676 . 2 . 1 147 147 VAL CA C 13 62.606 0.012 . 1 . . . . . 182 VAL CA . 50945 1 677 . 2 . 1 147 147 VAL CB C 13 32.103 0.009 . 1 . . . . . 182 VAL CB . 50945 1 678 . 2 . 1 147 147 VAL N N 15 124.545 0.000 . 1 . . . . . 182 VAL N . 50945 1 679 . 2 . 1 148 148 PHE H H 1 8.709 0.000 . 1 . . . . . 183 PHE H . 50945 1 680 . 2 . 1 148 148 PHE C C 13 173.566 0.007 . 1 . . . . . 183 PHE C . 50945 1 681 . 2 . 1 148 148 PHE CA C 13 55.574 0.055 . 1 . . . . . 183 PHE CA . 50945 1 682 . 2 . 1 148 148 PHE CB C 13 43.153 0.007 . 1 . . . . . 183 PHE CB . 50945 1 683 . 2 . 1 148 148 PHE N N 15 128.130 0.000 . 1 . . . . . 183 PHE N . 50945 1 684 . 2 . 1 149 149 TYR H H 1 9.149 0.000 . 1 . . . . . 184 TYR H . 50945 1 685 . 2 . 1 149 149 TYR C C 13 170.858 0.000 . 1 . . . . . 184 TYR C . 50945 1 686 . 2 . 1 149 149 TYR CA C 13 51.785 0.000 . 1 . . . . . 184 TYR CA . 50945 1 687 . 2 . 1 149 149 TYR CB C 13 36.762 0.000 . 1 . . . . . 184 TYR CB . 50945 1 688 . 2 . 1 149 149 TYR N N 15 133.985 0.000 . 1 . . . . . 184 TYR N . 50945 1 689 . 2 . 1 152 152 PRO C C 13 176.803 0.000 . 1 . . . . . 187 PRO C . 50945 1 690 . 2 . 1 152 152 PRO CA C 13 61.701 0.000 . 1 . . . . . 187 PRO CA . 50945 1 691 . 2 . 1 152 152 PRO CB C 13 33.089 0.000 . 1 . . . . . 187 PRO CB . 50945 1 692 . 2 . 1 153 153 GLY H H 1 7.440 0.000 . 1 . . . . . 188 GLY H . 50945 1 693 . 2 . 1 153 153 GLY C C 13 184.939 0.000 . 1 . . . . . 188 GLY C . 50945 1 694 . 2 . 1 153 153 GLY CA C 13 46.515 0.031 . 1 . . . . . 188 GLY CA . 50945 1 695 . 2 . 1 153 153 GLY N N 15 108.291 0.000 . 1 . . . . . 188 GLY N . 50945 1 696 . 2 . 1 154 154 HIS H H 1 7.109 0.000 . 1 . . . . . 189 HIS H . 50945 1 697 . 2 . 1 154 154 HIS C C 13 172.757 0.015 . 1 . . . . . 189 HIS C . 50945 1 698 . 2 . 1 154 154 HIS CA C 13 59.952 0.015 . 1 . . . . . 189 HIS CA . 50945 1 699 . 2 . 1 154 154 HIS CB C 13 26.317 0.011 . 1 . . . . . 189 HIS CB . 50945 1 700 . 2 . 1 154 154 HIS N N 15 132.195 0.000 . 1 . . . . . 189 HIS N . 50945 1 701 . 2 . 1 155 155 THR H H 1 7.292 0.000 . 1 . . . . . 190 THR H . 50945 1 702 . 2 . 1 155 155 THR C C 13 176.348 0.003 . 1 . . . . . 190 THR C . 50945 1 703 . 2 . 1 155 155 THR CA C 13 59.098 0.033 . 1 . . . . . 190 THR CA . 50945 1 704 . 2 . 1 155 155 THR CB C 13 72.418 0.002 . 1 . . . . . 190 THR CB . 50945 1 705 . 2 . 1 155 155 THR N N 15 103.046 0.000 . 1 . . . . . 190 THR N . 50945 1 706 . 2 . 1 156 156 SER H H 1 9.328 0.000 . 1 . . . . . 191 SER H . 50945 1 707 . 2 . 1 156 156 SER C C 13 173.481 0.000 . 1 . . . . . 191 SER C . 50945 1 708 . 2 . 1 156 156 SER CA C 13 61.011 0.014 . 1 . . . . . 191 SER CA . 50945 1 709 . 2 . 1 156 156 SER CB C 13 62.285 0.035 . 1 . . . . . 191 SER CB . 50945 1 710 . 2 . 1 156 156 SER N N 15 116.187 0.000 . 1 . . . . . 191 SER N . 50945 1 711 . 2 . 1 157 157 ASP H H 1 9.120 0.000 . 1 . . . . . 192 ASP H . 50945 1 712 . 2 . 1 157 157 ASP C C 13 174.049 0.001 . 1 . . . . . 192 ASP C . 50945 1 713 . 2 . 1 157 157 ASP CA C 13 52.286 0.013 . 1 . . . . . 192 ASP CA . 50945 1 714 . 2 . 1 157 157 ASP CB C 13 39.830 0.030 . 1 . . . . . 192 ASP CB . 50945 1 715 . 2 . 1 157 157 ASP N N 15 114.116 0.000 . 1 . . . . . 192 ASP N . 50945 1 716 . 2 . 1 158 158 ASN H H 1 6.481 0.000 . 1 . . . . . 193 ASN H . 50945 1 717 . 2 . 1 158 158 ASN C C 13 174.610 0.019 . 1 . . . . . 193 ASN C . 50945 1 718 . 2 . 1 158 158 ASN CA C 13 53.891 0.017 . 1 . . . . . 193 ASN CA . 50945 1 719 . 2 . 1 158 158 ASN CB C 13 38.226 0.039 . 1 . . . . . 193 ASN CB . 50945 1 720 . 2 . 1 158 158 ASN N N 15 116.555 0.000 . 1 . . . . . 193 ASN N . 50945 1 721 . 2 . 1 159 159 ILE H H 1 8.522 0.000 . 1 . . . . . 194 ILE H . 50945 1 722 . 2 . 1 159 159 ILE C C 13 174.150 0.000 . 1 . . . . . 194 ILE C . 50945 1 723 . 2 . 1 159 159 ILE CA C 13 59.454 0.018 . 1 . . . . . 194 ILE CA . 50945 1 724 . 2 . 1 159 159 ILE CB C 13 41.363 0.001 . 1 . . . . . 194 ILE CB . 50945 1 725 . 2 . 1 159 159 ILE N N 15 114.182 0.000 . 1 . . . . . 194 ILE N . 50945 1 726 . 2 . 1 160 160 THR H H 1 8.797 0.000 . 1 . . . . . 195 THR H . 50945 1 727 . 2 . 1 160 160 THR C C 13 172.339 0.008 . 1 . . . . . 195 THR C . 50945 1 728 . 2 . 1 160 160 THR CA C 13 59.637 0.012 . 1 . . . . . 195 THR CA . 50945 1 729 . 2 . 1 160 160 THR CB C 13 71.811 0.029 . 1 . . . . . 195 THR CB . 50945 1 730 . 2 . 1 160 160 THR N N 15 110.838 0.000 . 1 . . . . . 195 THR N . 50945 1 731 . 2 . 1 161 161 VAL H H 1 8.310 0.001 . 1 . . . . . 196 VAL H . 50945 1 732 . 2 . 1 161 161 VAL C C 13 172.942 0.001 . 1 . . . . . 196 VAL C . 50945 1 733 . 2 . 1 161 161 VAL CA C 13 59.826 0.007 . 1 . . . . . 196 VAL CA . 50945 1 734 . 2 . 1 161 161 VAL CB C 13 36.837 0.017 . 1 . . . . . 196 VAL CB . 50945 1 735 . 2 . 1 161 161 VAL N N 15 116.164 0.000 . 1 . . . . . 196 VAL N . 50945 1 736 . 2 . 1 162 162 GLY H H 1 9.516 0.000 . 1 . . . . . 197 GLY H . 50945 1 737 . 2 . 1 162 162 GLY C C 13 171.249 0.030 . 1 . . . . . 197 GLY C . 50945 1 738 . 2 . 1 162 162 GLY CA C 13 42.600 0.007 . 1 . . . . . 197 GLY CA . 50945 1 739 . 2 . 1 162 162 GLY N N 15 116.646 0.000 . 1 . . . . . 197 GLY N . 50945 1 740 . 2 . 1 163 163 ILE H H 1 6.905 0.000 . 1 . . . . . 198 ILE H . 50945 1 741 . 2 . 1 163 163 ILE C C 13 175.215 0.031 . 1 . . . . . 198 ILE C . 50945 1 742 . 2 . 1 163 163 ILE CA C 13 58.939 0.001 . 1 . . . . . 198 ILE CA . 50945 1 743 . 2 . 1 163 163 ILE CB C 13 35.634 0.001 . 1 . . . . . 198 ILE CB . 50945 1 744 . 2 . 1 163 163 ILE N N 15 119.270 0.000 . 1 . . . . . 198 ILE N . 50945 1 745 . 2 . 1 164 164 ASP H H 1 9.624 0.000 . 1 . . . . . 199 ASP H . 50945 1 746 . 2 . 1 164 164 ASP C C 13 175.521 0.000 . 1 . . . . . 199 ASP C . 50945 1 747 . 2 . 1 164 164 ASP CA C 13 55.840 0.000 . 1 . . . . . 199 ASP CA . 50945 1 748 . 2 . 1 164 164 ASP CB C 13 40.979 0.000 . 1 . . . . . 199 ASP CB . 50945 1 749 . 2 . 1 164 164 ASP N N 15 131.739 0.000 . 1 . . . . . 199 ASP N . 50945 1 750 . 2 . 1 165 165 GLY C C 13 173.025 0.053 . 1 . . . . . 200 GLY C . 50945 1 751 . 2 . 1 165 165 GLY CA C 13 44.420 0.000 . 1 . . . . . 200 GLY CA . 50945 1 752 . 2 . 1 166 166 THR H H 1 7.755 0.000 . 1 . . . . . 201 THR H . 50945 1 753 . 2 . 1 166 166 THR C C 13 173.055 0.023 . 1 . . . . . 201 THR C . 50945 1 754 . 2 . 1 166 166 THR CA C 13 59.313 0.005 . 1 . . . . . 201 THR CA . 50945 1 755 . 2 . 1 166 166 THR CB C 13 72.015 0.015 . 1 . . . . . 201 THR CB . 50945 1 756 . 2 . 1 166 166 THR N N 15 109.065 0.000 . 1 . . . . . 201 THR N . 50945 1 757 . 2 . 1 167 167 ASP H H 1 8.719 0.000 . 1 . . . . . 202 ASP H . 50945 1 758 . 2 . 1 167 167 ASP C C 13 174.756 0.020 . 1 . . . . . 202 ASP C . 50945 1 759 . 2 . 1 167 167 ASP CA C 13 53.012 0.014 . 1 . . . . . 202 ASP CA . 50945 1 760 . 2 . 1 167 167 ASP CB C 13 40.515 0.056 . 1 . . . . . 202 ASP CB . 50945 1 761 . 2 . 1 167 167 ASP N N 15 119.587 0.000 . 1 . . . . . 202 ASP N . 50945 1 762 . 2 . 1 168 168 ILE H H 1 8.209 0.000 . 1 . . . . . 203 ILE H . 50945 1 763 . 2 . 1 168 168 ILE C C 13 175.951 0.006 . 1 . . . . . 203 ILE C . 50945 1 764 . 2 . 1 168 168 ILE CA C 13 61.129 0.027 . 1 . . . . . 203 ILE CA . 50945 1 765 . 2 . 1 168 168 ILE CB C 13 39.377 0.010 . 1 . . . . . 203 ILE CB . 50945 1 766 . 2 . 1 168 168 ILE N N 15 119.614 0.000 . 1 . . . . . 203 ILE N . 50945 1 767 . 2 . 1 169 169 ALA H H 1 8.448 0.000 . 1 . . . . . 204 ALA H . 50945 1 768 . 2 . 1 169 169 ALA C C 13 173.249 0.008 . 1 . . . . . 204 ALA C . 50945 1 769 . 2 . 1 169 169 ALA CA C 13 51.157 0.037 . 1 . . . . . 204 ALA CA . 50945 1 770 . 2 . 1 169 169 ALA CB C 13 21.194 0.019 . 1 . . . . . 204 ALA CB . 50945 1 771 . 2 . 1 169 169 ALA N N 15 128.339 0.000 . 1 . . . . . 204 ALA N . 50945 1 772 . 2 . 1 170 170 PHE H H 1 9.696 0.000 . 1 . . . . . 205 PHE H . 50945 1 773 . 2 . 1 170 170 PHE C C 13 173.834 0.012 . 1 . . . . . 205 PHE C . 50945 1 774 . 2 . 1 170 170 PHE CA C 13 54.753 0.001 . 1 . . . . . 205 PHE CA . 50945 1 775 . 2 . 1 170 170 PHE CB C 13 40.885 0.029 . 1 . . . . . 205 PHE CB . 50945 1 776 . 2 . 1 170 170 PHE N N 15 122.655 0.000 . 1 . . . . . 205 PHE N . 50945 1 777 . 2 . 1 171 171 GLY H H 1 8.797 0.000 . 1 . . . . . 206 GLY H . 50945 1 778 . 2 . 1 171 171 GLY C C 13 173.686 0.000 . 1 . . . . . 206 GLY C . 50945 1 779 . 2 . 1 171 171 GLY CA C 13 43.363 0.000 . 1 . . . . . 206 GLY CA . 50945 1 780 . 2 . 1 171 171 GLY N N 15 112.106 0.000 . 1 . . . . . 206 GLY N . 50945 1 781 . 2 . 1 173 173 CYS C C 13 173.526 0.000 . 1 . . . . . 208 CYS C . 50945 1 782 . 2 . 1 173 173 CYS CA C 13 58.667 0.000 . 1 . . . . . 208 CYS CA . 50945 1 783 . 2 . 1 173 173 CYS CB C 13 25.180 0.000 . 1 . . . . . 208 CYS CB . 50945 1 784 . 2 . 1 174 174 LEU H H 1 6.798 0.000 . 1 . . . . . 209 LEU H . 50945 1 785 . 2 . 1 174 174 LEU C C 13 175.443 0.015 . 1 . . . . . 209 LEU C . 50945 1 786 . 2 . 1 174 174 LEU CA C 13 56.137 0.000 . 1 . . . . . 209 LEU CA . 50945 1 787 . 2 . 1 174 174 LEU CB C 13 42.489 0.000 . 1 . . . . . 209 LEU CB . 50945 1 788 . 2 . 1 174 174 LEU N N 15 116.364 0.000 . 1 . . . . . 209 LEU N . 50945 1 789 . 2 . 1 175 175 ILE H H 1 5.630 0.000 . 1 . . . . . 210 ILE H . 50945 1 790 . 2 . 1 175 175 ILE C C 13 171.482 0.032 . 1 . . . . . 210 ILE C . 50945 1 791 . 2 . 1 175 175 ILE CA C 13 56.135 0.033 . 1 . . . . . 210 ILE CA . 50945 1 792 . 2 . 1 175 175 ILE CB C 13 37.019 0.000 . 1 . . . . . 210 ILE CB . 50945 1 793 . 2 . 1 175 175 ILE N N 15 115.434 0.000 . 1 . . . . . 210 ILE N . 50945 1 794 . 2 . 1 176 176 LYS H H 1 8.074 0.000 . 1 . . . . . 211 LYS H . 50945 1 795 . 2 . 1 176 176 LYS C C 13 173.721 0.012 . 1 . . . . . 211 LYS C . 50945 1 796 . 2 . 1 176 176 LYS CA C 13 52.321 0.020 . 1 . . . . . 211 LYS CA . 50945 1 797 . 2 . 1 176 176 LYS CB C 13 33.037 0.044 . 1 . . . . . 211 LYS CB . 50945 1 798 . 2 . 1 176 176 LYS N N 15 125.288 0.000 . 1 . . . . . 211 LYS N . 50945 1 799 . 2 . 1 177 177 ASP H H 1 6.856 0.000 . 1 . . . . . 212 ASP H . 50945 1 800 . 2 . 1 177 177 ASP C C 13 175.085 0.026 . 1 . . . . . 212 ASP C . 50945 1 801 . 2 . 1 177 177 ASP CA C 13 53.471 0.005 . 1 . . . . . 212 ASP CA . 50945 1 802 . 2 . 1 177 177 ASP CB C 13 41.636 0.004 . 1 . . . . . 212 ASP CB . 50945 1 803 . 2 . 1 177 177 ASP N N 15 112.711 0.000 . 1 . . . . . 212 ASP N . 50945 1 804 . 2 . 1 178 178 SER H H 1 8.600 0.000 . 1 . . . . . 213 SER H . 50945 1 805 . 2 . 1 178 178 SER C C 13 172.792 0.000 . 1 . . . . . 213 SER C . 50945 1 806 . 2 . 1 178 178 SER CA C 13 60.496 0.064 . 1 . . . . . 213 SER CA . 50945 1 807 . 2 . 1 178 178 SER CB C 13 62.388 0.010 . 1 . . . . . 213 SER CB . 50945 1 808 . 2 . 1 178 178 SER N N 15 110.673 0.000 . 1 . . . . . 213 SER N . 50945 1 809 . 2 . 1 179 179 LYS H H 1 7.955 0.000 . 1 . . . . . 214 LYS H . 50945 1 810 . 2 . 1 179 179 LYS C C 13 176.258 0.008 . 1 . . . . . 214 LYS C . 50945 1 811 . 2 . 1 179 179 LYS CA C 13 54.282 0.008 . 1 . . . . . 214 LYS CA . 50945 1 812 . 2 . 1 179 179 LYS CB C 13 31.479 0.013 . 1 . . . . . 214 LYS CB . 50945 1 813 . 2 . 1 179 179 LYS N N 15 119.779 0.000 . 1 . . . . . 214 LYS N . 50945 1 814 . 2 . 1 180 180 ALA H H 1 7.502 0.000 . 1 . . . . . 215 ALA H . 50945 1 815 . 2 . 1 180 180 ALA C C 13 178.112 0.000 . 1 . . . . . 215 ALA C . 50945 1 816 . 2 . 1 180 180 ALA CA C 13 52.813 0.000 . 1 . . . . . 215 ALA CA . 50945 1 817 . 2 . 1 180 180 ALA CB C 13 19.731 0.000 . 1 . . . . . 215 ALA CB . 50945 1 818 . 2 . 1 180 180 ALA N N 15 125.436 0.000 . 1 . . . . . 215 ALA N . 50945 1 819 . 2 . 1 181 181 LYS C C 13 175.661 0.000 . 1 . . . . . 216 LYS C . 50945 1 820 . 2 . 1 181 181 LYS CA C 13 55.021 0.000 . 1 . . . . . 216 LYS CA . 50945 1 821 . 2 . 1 181 181 LYS CB C 13 33.837 0.000 . 1 . . . . . 216 LYS CB . 50945 1 822 . 2 . 1 182 182 SER H H 1 7.270 0.000 . 1 . . . . . 217 SER H . 50945 1 823 . 2 . 1 182 182 SER CA C 13 54.801 0.000 . 1 . . . . . 217 SER CA . 50945 1 824 . 2 . 1 182 182 SER N N 15 111.685 0.000 . 1 . . . . . 217 SER N . 50945 1 825 . 2 . 1 186 186 LEU C C 13 178.271 0.000 . 1 . . . . . 221 LEU C . 50945 1 826 . 2 . 1 186 186 LEU CA C 13 53.609 0.000 . 1 . . . . . 221 LEU CA . 50945 1 827 . 2 . 1 186 186 LEU CB C 13 41.333 0.000 . 1 . . . . . 221 LEU CB . 50945 1 828 . 2 . 1 187 187 GLY H H 1 8.438 0.000 . 1 . . . . . 222 GLY H . 50945 1 829 . 2 . 1 187 187 GLY C C 13 173.746 0.001 . 1 . . . . . 222 GLY C . 50945 1 830 . 2 . 1 187 187 GLY CA C 13 47.246 0.009 . 1 . . . . . 222 GLY CA . 50945 1 831 . 2 . 1 187 187 GLY N N 15 110.107 0.000 . 1 . . . . . 222 GLY N . 50945 1 832 . 2 . 1 188 188 ASP H H 1 7.987 0.000 . 1 . . . . . 223 ASP H . 50945 1 833 . 2 . 1 188 188 ASP C C 13 174.185 0.013 . 1 . . . . . 223 ASP C . 50945 1 834 . 2 . 1 188 188 ASP CA C 13 52.752 0.012 . 1 . . . . . 223 ASP CA . 50945 1 835 . 2 . 1 188 188 ASP CB C 13 41.816 0.010 . 1 . . . . . 223 ASP CB . 50945 1 836 . 2 . 1 188 188 ASP N N 15 118.886 0.000 . 1 . . . . . 223 ASP N . 50945 1 837 . 2 . 1 189 189 ALA H H 1 7.156 0.000 . 1 . . . . . 224 ALA H . 50945 1 838 . 2 . 1 189 189 ALA C C 13 176.591 0.026 . 1 . . . . . 224 ALA C . 50945 1 839 . 2 . 1 189 189 ALA CA C 13 51.429 0.027 . 1 . . . . . 224 ALA CA . 50945 1 840 . 2 . 1 189 189 ALA CB C 13 20.754 0.020 . 1 . . . . . 224 ALA CB . 50945 1 841 . 2 . 1 189 189 ALA N N 15 122.018 0.000 . 1 . . . . . 224 ALA N . 50945 1 842 . 2 . 1 190 190 ASP H H 1 8.195 0.000 . 1 . . . . . 225 ASP H . 50945 1 843 . 2 . 1 190 190 ASP C C 13 175.986 0.010 . 1 . . . . . 225 ASP C . 50945 1 844 . 2 . 1 190 190 ASP CA C 13 51.453 0.010 . 1 . . . . . 225 ASP CA . 50945 1 845 . 2 . 1 190 190 ASP CB C 13 40.796 0.015 . 1 . . . . . 225 ASP CB . 50945 1 846 . 2 . 1 190 190 ASP N N 15 120.469 0.000 . 1 . . . . . 225 ASP N . 50945 1 847 . 2 . 1 191 191 THR H H 1 8.210 0.000 . 1 . . . . . 226 THR H . 50945 1 848 . 2 . 1 191 191 THR C C 13 175.077 0.012 . 1 . . . . . 226 THR C . 50945 1 849 . 2 . 1 191 191 THR CA C 13 64.388 0.047 . 1 . . . . . 226 THR CA . 50945 1 850 . 2 . 1 191 191 THR CB C 13 67.156 0.009 . 1 . . . . . 226 THR CB . 50945 1 851 . 2 . 1 191 191 THR N N 15 114.227 0.000 . 1 . . . . . 226 THR N . 50945 1 852 . 2 . 1 192 192 GLU H H 1 7.900 0.000 . 1 . . . . . 227 GLU H . 50945 1 853 . 2 . 1 192 192 GLU C C 13 177.420 0.013 . 1 . . . . . 227 GLU C . 50945 1 854 . 2 . 1 192 192 GLU CA C 13 57.782 0.044 . 1 . . . . . 227 GLU CA . 50945 1 855 . 2 . 1 192 192 GLU CB C 13 28.854 0.024 . 1 . . . . . 227 GLU CB . 50945 1 856 . 2 . 1 192 192 GLU N N 15 121.752 0.000 . 1 . . . . . 227 GLU N . 50945 1 857 . 2 . 1 193 193 HIS H H 1 7.555 0.000 . 1 . . . . . 228 HIS H . 50945 1 858 . 2 . 1 193 193 HIS C C 13 174.042 0.027 . 1 . . . . . 228 HIS C . 50945 1 859 . 2 . 1 193 193 HIS CA C 13 56.543 0.038 . 1 . . . . . 228 HIS CA . 50945 1 860 . 2 . 1 193 193 HIS CB C 13 29.615 0.026 . 1 . . . . . 228 HIS CB . 50945 1 861 . 2 . 1 193 193 HIS N N 15 114.210 0.000 . 1 . . . . . 228 HIS N . 50945 1 862 . 2 . 1 194 194 TYR H H 1 7.347 0.000 . 1 . . . . . 229 TYR H . 50945 1 863 . 2 . 1 194 194 TYR C C 13 177.606 0.021 . 1 . . . . . 229 TYR C . 50945 1 864 . 2 . 1 194 194 TYR CA C 13 60.907 0.055 . 1 . . . . . 229 TYR CA . 50945 1 865 . 2 . 1 194 194 TYR CB C 13 36.621 0.024 . 1 . . . . . 229 TYR CB . 50945 1 866 . 2 . 1 194 194 TYR N N 15 121.110 0.000 . 1 . . . . . 229 TYR N . 50945 1 867 . 2 . 1 195 195 ALA H H 1 8.805 0.000 . 1 . . . . . 230 ALA H . 50945 1 868 . 2 . 1 195 195 ALA C C 13 178.100 0.002 . 1 . . . . . 230 ALA C . 50945 1 869 . 2 . 1 195 195 ALA CA C 13 56.260 0.024 . 1 . . . . . 230 ALA CA . 50945 1 870 . 2 . 1 195 195 ALA CB C 13 18.061 0.000 . 1 . . . . . 230 ALA CB . 50945 1 871 . 2 . 1 195 195 ALA N N 15 121.465 0.000 . 1 . . . . . 230 ALA N . 50945 1 872 . 2 . 1 196 196 ALA H H 1 7.836 0.000 . 1 . . . . . 231 ALA H . 50945 1 873 . 2 . 1 196 196 ALA C C 13 180.589 0.000 . 1 . . . . . 231 ALA C . 50945 1 874 . 2 . 1 196 196 ALA CA C 13 54.261 0.027 . 1 . . . . . 231 ALA CA . 50945 1 875 . 2 . 1 196 196 ALA CB C 13 17.240 0.001 . 1 . . . . . 231 ALA CB . 50945 1 876 . 2 . 1 196 196 ALA N N 15 119.669 0.000 . 1 . . . . . 231 ALA N . 50945 1 877 . 2 . 1 197 197 SER H H 1 8.535 0.000 . 1 . . . . . 232 SER H . 50945 1 878 . 2 . 1 197 197 SER C C 13 175.731 0.000 . 1 . . . . . 232 SER C . 50945 1 879 . 2 . 1 197 197 SER CA C 13 60.046 0.022 . 1 . . . . . 232 SER CA . 50945 1 880 . 2 . 1 197 197 SER CB C 13 61.452 0.021 . 1 . . . . . 232 SER CB . 50945 1 881 . 2 . 1 197 197 SER N N 15 119.384 0.000 . 1 . . . . . 232 SER N . 50945 1 882 . 2 . 1 198 198 ALA H H 1 8.518 0.000 . 1 . . . . . 233 ALA H . 50945 1 883 . 2 . 1 198 198 ALA C C 13 178.377 0.038 . 1 . . . . . 233 ALA C . 50945 1 884 . 2 . 1 198 198 ALA CA C 13 55.292 0.017 . 1 . . . . . 233 ALA CA . 50945 1 885 . 2 . 1 198 198 ALA CB C 13 16.440 0.028 . 1 . . . . . 233 ALA CB . 50945 1 886 . 2 . 1 198 198 ALA N N 15 123.769 0.000 . 1 . . . . . 233 ALA N . 50945 1 887 . 2 . 1 199 199 ARG H H 1 7.985 0.000 . 1 . . . . . 234 ARG H . 50945 1 888 . 2 . 1 199 199 ARG C C 13 178.884 0.013 . 1 . . . . . 234 ARG C . 50945 1 889 . 2 . 1 199 199 ARG CA C 13 59.762 0.001 . 1 . . . . . 234 ARG CA . 50945 1 890 . 2 . 1 199 199 ARG CB C 13 28.959 0.015 . 1 . . . . . 234 ARG CB . 50945 1 891 . 2 . 1 199 199 ARG N N 15 115.030 0.000 . 1 . . . . . 234 ARG N . 50945 1 892 . 2 . 1 200 200 ALA H H 1 8.604 0.000 . 1 . . . . . 235 ALA H . 50945 1 893 . 2 . 1 200 200 ALA C C 13 179.603 0.002 . 1 . . . . . 235 ALA C . 50945 1 894 . 2 . 1 200 200 ALA CA C 13 54.581 0.039 . 1 . . . . . 235 ALA CA . 50945 1 895 . 2 . 1 200 200 ALA CB C 13 17.168 0.034 . 1 . . . . . 235 ALA CB . 50945 1 896 . 2 . 1 200 200 ALA N N 15 124.949 0.000 . 1 . . . . . 235 ALA N . 50945 1 897 . 2 . 1 201 201 PHE H H 1 7.882 0.000 . 1 . . . . . 236 PHE H . 50945 1 898 . 2 . 1 201 201 PHE C C 13 174.895 0.008 . 1 . . . . . 236 PHE C . 50945 1 899 . 2 . 1 201 201 PHE CA C 13 59.998 0.027 . 1 . . . . . 236 PHE CA . 50945 1 900 . 2 . 1 201 201 PHE CB C 13 37.786 0.062 . 1 . . . . . 236 PHE CB . 50945 1 901 . 2 . 1 201 201 PHE N N 15 118.690 0.000 . 1 . . . . . 236 PHE N . 50945 1 902 . 2 . 1 202 202 GLY H H 1 7.456 0.000 . 1 . . . . . 237 GLY H . 50945 1 903 . 2 . 1 202 202 GLY C C 13 177.667 0.000 . 1 . . . . . 237 GLY C . 50945 1 904 . 2 . 1 202 202 GLY CA C 13 47.162 0.035 . 1 . . . . . 237 GLY CA . 50945 1 905 . 2 . 1 202 202 GLY N N 15 102.997 0.000 . 1 . . . . . 237 GLY N . 50945 1 906 . 2 . 1 203 203 ALA H H 1 7.542 0.000 . 1 . . . . . 238 ALA H . 50945 1 907 . 2 . 1 203 203 ALA C C 13 177.739 0.030 . 1 . . . . . 238 ALA C . 50945 1 908 . 2 . 1 203 203 ALA CA C 13 52.475 0.042 . 1 . . . . . 238 ALA CA . 50945 1 909 . 2 . 1 203 203 ALA CB C 13 17.659 0.011 . 1 . . . . . 238 ALA CB . 50945 1 910 . 2 . 1 203 203 ALA N N 15 121.052 0.000 . 1 . . . . . 238 ALA N . 50945 1 911 . 2 . 1 204 204 ALA H H 1 7.214 0.000 . 1 . . . . . 239 ALA H . 50945 1 912 . 2 . 1 204 204 ALA C C 13 176.214 0.004 . 1 . . . . . 239 ALA C . 50945 1 913 . 2 . 1 204 204 ALA CA C 13 53.009 0.061 . 1 . . . . . 239 ALA CA . 50945 1 914 . 2 . 1 204 204 ALA CB C 13 16.004 0.017 . 1 . . . . . 239 ALA CB . 50945 1 915 . 2 . 1 204 204 ALA N N 15 122.060 0.000 . 1 . . . . . 239 ALA N . 50945 1 916 . 2 . 1 205 205 PHE H H 1 6.093 0.000 . 1 . . . . . 240 PHE H . 50945 1 917 . 2 . 1 205 205 PHE C C 13 174.166 0.000 . 1 . . . . . 240 PHE C . 50945 1 918 . 2 . 1 205 205 PHE CA C 13 53.597 0.000 . 1 . . . . . 240 PHE CA . 50945 1 919 . 2 . 1 205 205 PHE CB C 13 38.099 0.000 . 1 . . . . . 240 PHE CB . 50945 1 920 . 2 . 1 205 205 PHE N N 15 112.298 0.000 . 1 . . . . . 240 PHE N . 50945 1 921 . 2 . 1 206 206 PRO C C 13 176.798 0.000 . 1 . . . . . 241 PRO C . 50945 1 922 . 2 . 1 206 206 PRO CA C 13 64.169 0.000 . 1 . . . . . 241 PRO CA . 50945 1 923 . 2 . 1 206 206 PRO CB C 13 31.580 0.000 . 1 . . . . . 241 PRO CB . 50945 1 924 . 2 . 1 207 207 LYS H H 1 8.382 0.000 . 1 . . . . . 242 LYS H . 50945 1 925 . 2 . 1 207 207 LYS C C 13 175.789 0.008 . 1 . . . . . 242 LYS C . 50945 1 926 . 2 . 1 207 207 LYS CA C 13 54.411 0.007 . 1 . . . . . 242 LYS CA . 50945 1 927 . 2 . 1 207 207 LYS CB C 13 31.606 0.029 . 1 . . . . . 242 LYS CB . 50945 1 928 . 2 . 1 207 207 LYS N N 15 116.800 0.000 . 1 . . . . . 242 LYS N . 50945 1 929 . 2 . 1 208 208 ALA H H 1 6.820 0.000 . 1 . . . . . 243 ALA H . 50945 1 930 . 2 . 1 208 208 ALA C C 13 175.618 0.007 . 1 . . . . . 243 ALA C . 50945 1 931 . 2 . 1 208 208 ALA CA C 13 52.688 0.035 . 1 . . . . . 243 ALA CA . 50945 1 932 . 2 . 1 208 208 ALA CB C 13 18.375 0.039 . 1 . . . . . 243 ALA CB . 50945 1 933 . 2 . 1 208 208 ALA N N 15 123.387 0.000 . 1 . . . . . 243 ALA N . 50945 1 934 . 2 . 1 209 209 SER H H 1 8.143 0.000 . 1 . . . . . 244 SER H . 50945 1 935 . 2 . 1 209 209 SER C C 13 172.886 0.001 . 1 . . . . . 244 SER C . 50945 1 936 . 2 . 1 209 209 SER CA C 13 56.944 0.045 . 1 . . . . . 244 SER CA . 50945 1 937 . 2 . 1 209 209 SER CB C 13 64.132 0.008 . 1 . . . . . 244 SER CB . 50945 1 938 . 2 . 1 209 209 SER N N 15 116.531 0.000 . 1 . . . . . 244 SER N . 50945 1 939 . 2 . 1 210 210 MET H H 1 8.235 0.000 . 1 . . . . . 245 MET H . 50945 1 940 . 2 . 1 210 210 MET C C 13 171.809 0.017 . 1 . . . . . 245 MET C . 50945 1 941 . 2 . 1 210 210 MET CA C 13 54.674 0.012 . 1 . . . . . 245 MET CA . 50945 1 942 . 2 . 1 210 210 MET CB C 13 33.717 0.077 . 1 . . . . . 245 MET CB . 50945 1 943 . 2 . 1 210 210 MET N N 15 125.964 0.000 . 1 . . . . . 245 MET N . 50945 1 944 . 2 . 1 211 211 ILE H H 1 9.008 0.000 . 1 . . . . . 246 ILE H . 50945 1 945 . 2 . 1 211 211 ILE C C 13 173.676 0.002 . 1 . . . . . 246 ILE C . 50945 1 946 . 2 . 1 211 211 ILE CA C 13 56.516 0.018 . 1 . . . . . 246 ILE CA . 50945 1 947 . 2 . 1 211 211 ILE CB C 13 33.908 0.068 . 1 . . . . . 246 ILE CB . 50945 1 948 . 2 . 1 211 211 ILE N N 15 127.776 0.000 . 1 . . . . . 246 ILE N . 50945 1 949 . 2 . 1 212 212 VAL H H 1 8.648 0.000 . 1 . . . . . 247 VAL H . 50945 1 950 . 2 . 1 212 212 VAL C C 13 173.918 0.015 . 1 . . . . . 247 VAL C . 50945 1 951 . 2 . 1 212 212 VAL CA C 13 60.250 0.045 . 1 . . . . . 247 VAL CA . 50945 1 952 . 2 . 1 212 212 VAL CB C 13 32.416 0.070 . 1 . . . . . 247 VAL CB . 50945 1 953 . 2 . 1 212 212 VAL N N 15 128.606 0.000 . 1 . . . . . 247 VAL N . 50945 1 954 . 2 . 1 213 213 MET H H 1 9.924 0.000 . 1 . . . . . 248 MET H . 50945 1 955 . 2 . 1 213 213 MET C C 13 174.396 0.005 . 1 . . . . . 248 MET C . 50945 1 956 . 2 . 1 213 213 MET CA C 13 53.753 0.033 . 1 . . . . . 248 MET CA . 50945 1 957 . 2 . 1 213 213 MET CB C 13 37.208 0.065 . 1 . . . . . 248 MET CB . 50945 1 958 . 2 . 1 213 213 MET N N 15 127.984 0.000 . 1 . . . . . 248 MET N . 50945 1 959 . 2 . 1 214 214 SER H H 1 7.259 0.000 . 1 . . . . . 249 SER H . 50945 1 960 . 2 . 1 214 214 SER CA C 13 60.010 0.000 . 1 . . . . . 249 SER CA . 50945 1 961 . 2 . 1 214 214 SER CB C 13 62.297 0.000 . 1 . . . . . 249 SER CB . 50945 1 962 . 2 . 1 214 214 SER N N 15 112.671 0.000 . 1 . . . . . 249 SER N . 50945 1 963 . 2 . 1 215 215 HIS C C 13 173.171 0.000 . 1 . . . . . 250 HIS C . 50945 1 964 . 2 . 1 215 215 HIS CA C 13 53.919 0.000 . 1 . . . . . 250 HIS CA . 50945 1 965 . 2 . 1 215 215 HIS CB C 13 28.216 0.000 . 1 . . . . . 250 HIS CB . 50945 1 966 . 2 . 1 216 216 SER H H 1 6.945 0.000 . 1 . . . . . 251 SER H . 50945 1 967 . 2 . 1 216 216 SER C C 13 171.138 0.029 . 1 . . . . . 251 SER C . 50945 1 968 . 2 . 1 216 216 SER CA C 13 56.522 0.012 . 1 . . . . . 251 SER CA . 50945 1 969 . 2 . 1 216 216 SER CB C 13 66.331 0.061 . 1 . . . . . 251 SER CB . 50945 1 970 . 2 . 1 216 216 SER N N 15 113.219 0.000 . 1 . . . . . 251 SER N . 50945 1 971 . 2 . 1 217 217 ALA H H 1 8.179 0.000 . 1 . . . . . 252 ALA H . 50945 1 972 . 2 . 1 217 217 ALA C C 13 172.779 0.000 . 1 . . . . . 252 ALA C . 50945 1 973 . 2 . 1 217 217 ALA CA C 13 50.844 0.000 . 1 . . . . . 252 ALA CA . 50945 1 974 . 2 . 1 217 217 ALA CB C 13 16.333 0.000 . 1 . . . . . 252 ALA CB . 50945 1 975 . 2 . 1 217 217 ALA N N 15 125.709 0.000 . 1 . . . . . 252 ALA N . 50945 1 976 . 2 . 1 218 218 PRO C C 13 175.050 0.000 . 1 . . . . . 253 PRO C . 50945 1 977 . 2 . 1 218 218 PRO CA C 13 63.419 0.000 . 1 . . . . . 253 PRO CA . 50945 1 978 . 2 . 1 218 218 PRO CB C 13 31.443 0.000 . 1 . . . . . 253 PRO CB . 50945 1 979 . 2 . 1 219 219 ASP H H 1 8.660 0.000 . 1 . . . . . 254 ASP H . 50945 1 980 . 2 . 1 219 219 ASP C C 13 174.479 0.008 . 1 . . . . . 254 ASP C . 50945 1 981 . 2 . 1 219 219 ASP CA C 13 50.407 0.010 . 1 . . . . . 254 ASP CA . 50945 1 982 . 2 . 1 219 219 ASP CB C 13 46.060 0.025 . 1 . . . . . 254 ASP CB . 50945 1 983 . 2 . 1 219 219 ASP N N 15 123.022 0.000 . 1 . . . . . 254 ASP N . 50945 1 984 . 2 . 1 220 220 SER H H 1 9.251 0.000 . 1 . . . . . 255 SER H . 50945 1 985 . 2 . 1 220 220 SER C C 13 174.470 0.005 . 1 . . . . . 255 SER C . 50945 1 986 . 2 . 1 220 220 SER CA C 13 56.324 0.050 . 1 . . . . . 255 SER CA . 50945 1 987 . 2 . 1 220 220 SER CB C 13 64.961 0.001 . 1 . . . . . 255 SER CB . 50945 1 988 . 2 . 1 220 220 SER N N 15 116.371 0.000 . 1 . . . . . 255 SER N . 50945 1 989 . 2 . 1 221 221 ARG H H 1 8.432 0.000 . 1 . . . . . 256 ARG H . 50945 1 990 . 2 . 1 221 221 ARG C C 13 177.117 0.000 . 1 . . . . . 256 ARG C . 50945 1 991 . 2 . 1 221 221 ARG CA C 13 59.885 0.000 . 1 . . . . . 256 ARG CA . 50945 1 992 . 2 . 1 221 221 ARG CB C 13 29.604 0.000 . 1 . . . . . 256 ARG CB . 50945 1 993 . 2 . 1 221 221 ARG N N 15 115.591 0.000 . 1 . . . . . 256 ARG N . 50945 1 994 . 2 . 1 222 222 ALA C C 13 178.641 0.000 . 1 . . . . . 257 ALA C . 50945 1 995 . 2 . 1 222 222 ALA CA C 13 54.080 0.000 . 1 . . . . . 257 ALA CA . 50945 1 996 . 2 . 1 222 222 ALA CB C 13 17.508 0.000 . 1 . . . . . 257 ALA CB . 50945 1 997 . 2 . 1 223 223 ALA H H 1 7.889 0.000 . 1 . . . . . 258 ALA H . 50945 1 998 . 2 . 1 223 223 ALA C C 13 179.455 0.003 . 1 . . . . . 258 ALA C . 50945 1 999 . 2 . 1 223 223 ALA CA C 13 55.432 0.030 . 1 . . . . . 258 ALA CA . 50945 1 1000 . 2 . 1 223 223 ALA CB C 13 18.962 0.045 . 1 . . . . . 258 ALA CB . 50945 1 1001 . 2 . 1 223 223 ALA N N 15 119.817 0.000 . 1 . . . . . 258 ALA N . 50945 1 1002 . 2 . 1 224 224 ILE H H 1 7.676 0.000 . 1 . . . . . 259 ILE H . 50945 1 1003 . 2 . 1 224 224 ILE C C 13 176.616 0.028 . 1 . . . . . 259 ILE C . 50945 1 1004 . 2 . 1 224 224 ILE CA C 13 65.396 0.010 . 1 . . . . . 259 ILE CA . 50945 1 1005 . 2 . 1 224 224 ILE CB C 13 37.665 0.019 . 1 . . . . . 259 ILE CB . 50945 1 1006 . 2 . 1 224 224 ILE N N 15 118.576 0.000 . 1 . . . . . 259 ILE N . 50945 1 1007 . 2 . 1 225 225 THR H H 1 7.112 0.000 . 1 . . . . . 260 THR H . 50945 1 1008 . 2 . 1 225 225 THR C C 13 176.079 0.001 . 1 . . . . . 260 THR C . 50945 1 1009 . 2 . 1 225 225 THR CA C 13 65.068 0.035 . 1 . . . . . 260 THR CA . 50945 1 1010 . 2 . 1 225 225 THR CB C 13 68.053 0.018 . 1 . . . . . 260 THR CB . 50945 1 1011 . 2 . 1 225 225 THR N N 15 113.342 0.000 . 1 . . . . . 260 THR N . 50945 1 1012 . 2 . 1 226 226 HIS H H 1 8.599 0.000 . 1 . . . . . 261 HIS H . 50945 1 1013 . 2 . 1 226 226 HIS C C 13 176.506 0.008 . 1 . . . . . 261 HIS C . 50945 1 1014 . 2 . 1 226 226 HIS CA C 13 59.247 0.007 . 1 . . . . . 261 HIS CA . 50945 1 1015 . 2 . 1 226 226 HIS CB C 13 31.398 0.013 . 1 . . . . . 261 HIS CB . 50945 1 1016 . 2 . 1 226 226 HIS N N 15 121.835 0.000 . 1 . . . . . 261 HIS N . 50945 1 1017 . 2 . 1 227 227 THR H H 1 7.925 0.000 . 1 . . . . . 262 THR H . 50945 1 1018 . 2 . 1 227 227 THR C C 13 174.875 0.000 . 1 . . . . . 262 THR C . 50945 1 1019 . 2 . 1 227 227 THR CA C 13 67.829 0.029 . 1 . . . . . 262 THR CA . 50945 1 1020 . 2 . 1 227 227 THR N N 15 115.542 0.000 . 1 . . . . . 262 THR N . 50945 1 1021 . 2 . 1 228 228 ALA H H 1 8.135 0.000 . 1 . . . . . 263 ALA H . 50945 1 1022 . 2 . 1 228 228 ALA C C 13 177.051 0.001 . 1 . . . . . 263 ALA C . 50945 1 1023 . 2 . 1 228 228 ALA CA C 13 55.389 0.057 . 1 . . . . . 263 ALA CA . 50945 1 1024 . 2 . 1 228 228 ALA CB C 13 17.498 0.007 . 1 . . . . . 263 ALA CB . 50945 1 1025 . 2 . 1 228 228 ALA N N 15 121.950 0.000 . 1 . . . . . 263 ALA N . 50945 1 1026 . 2 . 1 229 229 ARG H H 1 7.888 0.000 . 1 . . . . . 264 ARG H . 50945 1 1027 . 2 . 1 229 229 ARG C C 13 179.402 0.004 . 1 . . . . . 264 ARG C . 50945 1 1028 . 2 . 1 229 229 ARG CA C 13 58.586 0.009 . 1 . . . . . 264 ARG CA . 50945 1 1029 . 2 . 1 229 229 ARG CB C 13 29.202 0.014 . 1 . . . . . 264 ARG CB . 50945 1 1030 . 2 . 1 229 229 ARG N N 15 117.123 0.000 . 1 . . . . . 264 ARG N . 50945 1 1031 . 2 . 1 230 230 MET H H 1 7.883 0.000 . 1 . . . . . 265 MET H . 50945 1 1032 . 2 . 1 230 230 MET C C 13 178.753 0.014 . 1 . . . . . 265 MET C . 50945 1 1033 . 2 . 1 230 230 MET CA C 13 59.129 0.002 . 1 . . . . . 265 MET CA . 50945 1 1034 . 2 . 1 230 230 MET CB C 13 33.303 0.004 . 1 . . . . . 265 MET CB . 50945 1 1035 . 2 . 1 230 230 MET N N 15 118.526 0.000 . 1 . . . . . 265 MET N . 50945 1 1036 . 2 . 1 231 231 ALA H H 1 8.134 0.000 . 1 . . . . . 266 ALA H . 50945 1 1037 . 2 . 1 231 231 ALA C C 13 179.739 0.015 . 1 . . . . . 266 ALA C . 50945 1 1038 . 2 . 1 231 231 ALA CA C 13 53.344 0.067 . 1 . . . . . 266 ALA CA . 50945 1 1039 . 2 . 1 231 231 ALA CB C 13 16.064 0.032 . 1 . . . . . 266 ALA CB . 50945 1 1040 . 2 . 1 231 231 ALA N N 15 122.140 0.000 . 1 . . . . . 266 ALA N . 50945 1 1041 . 2 . 1 232 232 ASP H H 1 8.393 0.000 . 1 . . . . . 267 ASP H . 50945 1 1042 . 2 . 1 232 232 ASP C C 13 177.488 0.013 . 1 . . . . . 267 ASP C . 50945 1 1043 . 2 . 1 232 232 ASP CA C 13 56.426 0.038 . 1 . . . . . 267 ASP CA . 50945 1 1044 . 2 . 1 232 232 ASP CB C 13 40.024 0.008 . 1 . . . . . 267 ASP CB . 50945 1 1045 . 2 . 1 232 232 ASP N N 15 123.781 0.000 . 1 . . . . . 267 ASP N . 50945 1 1046 . 2 . 1 233 233 LYS H H 1 6.993 0.000 . 1 . . . . . 268 LYS H . 50945 1 1047 . 2 . 1 233 233 LYS C C 13 176.240 0.014 . 1 . . . . . 268 LYS C . 50945 1 1048 . 2 . 1 233 233 LYS CA C 13 55.944 0.004 . 1 . . . . . 268 LYS CA . 50945 1 1049 . 2 . 1 233 233 LYS CB C 13 31.455 0.021 . 1 . . . . . 268 LYS CB . 50945 1 1050 . 2 . 1 233 233 LYS N N 15 115.906 0.000 . 1 . . . . . 268 LYS N . 50945 1 1051 . 2 . 1 234 234 LEU H H 1 7.301 0.000 . 1 . . . . . 269 LEU H . 50945 1 1052 . 2 . 1 234 234 LEU C C 13 175.561 0.009 . 1 . . . . . 269 LEU C . 50945 1 1053 . 2 . 1 234 234 LEU CA C 13 54.524 0.039 . 1 . . . . . 269 LEU CA . 50945 1 1054 . 2 . 1 234 234 LEU CB C 13 41.984 0.027 . 1 . . . . . 269 LEU CB . 50945 1 1055 . 2 . 1 234 234 LEU N N 15 118.139 0.000 . 1 . . . . . 269 LEU N . 50945 1 1056 . 2 . 1 235 235 ARG H H 1 7.047 0.000 . 1 . . . . . 270 ARG H . 50945 1 1057 . 2 . 1 235 235 ARG C C 13 180.011 0.000 . 1 . . . . . 270 ARG C . 50945 1 1058 . 2 . 1 235 235 ARG CA C 13 56.882 0.000 . 1 . . . . . 270 ARG CA . 50945 1 1059 . 2 . 1 235 235 ARG CB C 13 31.018 0.000 . 1 . . . . . 270 ARG CB . 50945 1 1060 . 2 . 1 235 235 ARG N N 15 123.417 0.000 . 1 . . . . . 270 ARG N . 50945 1 stop_ save_