data_54060 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 54060 _Entry.Title ; Mdm2_aa111-333_3C3S ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2026-10-17 _Entry.Accession_date 2026-10-17 _Entry.Last_release_date 2026-10-17 _Entry.Original_release_date 2026-10-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.2.14.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone assignment of the peptide fragment aa111-333 of human Mdm2, incorporating 4 mutations C127A-C200S-C206S-C207S' _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 Francois-Xavier Theillet . . . 0000-0002-3264-210X 54060 2 Jehanne Procaccia . . . 0009-0007-1313-8972 54060 3 Clemence Cuzin . . . 0000-0002-2972-8199 54060 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 54060 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 588 54060 '15N chemical shifts' 193 54060 '1H chemical shifts' 193 54060 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 . . 2026-10-22 . original BMRB . 54060 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 54060 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The disordered region 1 of Mdm2 weakens p53-binding in both its unmodified and hyperphospho-forms ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yingyue Luo . . . . 54060 1 2 Jehanne Procaccia . . . . 54060 1 3 Chafiaa Bouguechtouli . . . . 54060 1 4 Clemence Cuzin . . . . 54060 1 5 Ania Alik . . . . 54060 1 6 Magali Aumont-Nicaise . . . . 54060 1 7 Francois-Xavier Theillet . . . . 54060 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DNA-damage 54060 1 'Intrinsically disordered proteins' 54060 1 p53 54060 1 phosphorylation 54060 1 ubiquitin-ligase 54060 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 54060 _Assembly.ID 1 _Assembly.Name Mdm2_aa111-333_1C1A_3C3S _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 Mdm2_aa111-333_1C1A_3C3S 1 $entity_1 . . yes native no no . . . 54060 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 54060 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Mdm2_aa111-333_1C1A_3C3S _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 ; GNQQESSDSGTSVSENRAHL EGGSDQKDLVQELQEEKPSS SHLVSRPSTSSRRRAISETE ENSDELSGERQRKRHKSDSI SLSFDESLALSVIREISSER SSSSESTGTPSNPDLDAGVS EHSGDWLDQDSVSDQFSVEF EVESLDSEDYSLSEEGQELS DEDDEVYQVTVYQAGESDTD SFEEDPEISLADYWKCTSCN EMNPPLPSHCNRCWALRENW LPED ; _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 224 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment Mdm2_aa111-333_1C1A_3C3S _Entity.Mutation C127A-C200S-C20S-C207S _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'E3 ubiquitin-ligase' 54060 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 110 GLY . 54060 1 2 111 ASN . 54060 1 3 112 GLN . 54060 1 4 113 GLN . 54060 1 5 114 GLU . 54060 1 6 115 SER . 54060 1 7 116 SER . 54060 1 8 117 ASP . 54060 1 9 118 SER . 54060 1 10 119 GLY . 54060 1 11 120 THR . 54060 1 12 121 SER . 54060 1 13 122 VAL . 54060 1 14 123 SER . 54060 1 15 124 GLU . 54060 1 16 125 ASN . 54060 1 17 126 ARG . 54060 1 18 127 ALA . 54060 1 19 128 HIS . 54060 1 20 129 LEU . 54060 1 21 130 GLU . 54060 1 22 131 GLY . 54060 1 23 132 GLY . 54060 1 24 133 SER . 54060 1 25 134 ASP . 54060 1 26 135 GLN . 54060 1 27 136 LYS . 54060 1 28 137 ASP . 54060 1 29 138 LEU . 54060 1 30 139 VAL . 54060 1 31 140 GLN . 54060 1 32 141 GLU . 54060 1 33 142 LEU . 54060 1 34 143 GLN . 54060 1 35 144 GLU . 54060 1 36 145 GLU . 54060 1 37 146 LYS . 54060 1 38 147 PRO . 54060 1 39 148 SER . 54060 1 40 149 SER . 54060 1 41 150 SER . 54060 1 42 151 HIS . 54060 1 43 152 LEU . 54060 1 44 153 VAL . 54060 1 45 154 SER . 54060 1 46 155 ARG . 54060 1 47 156 PRO . 54060 1 48 157 SER . 54060 1 49 158 THR . 54060 1 50 159 SER . 54060 1 51 160 SER . 54060 1 52 161 ARG . 54060 1 53 162 ARG . 54060 1 54 163 ARG . 54060 1 55 164 ALA . 54060 1 56 165 ILE . 54060 1 57 166 SER . 54060 1 58 167 GLU . 54060 1 59 168 THR . 54060 1 60 169 GLU . 54060 1 61 170 GLU . 54060 1 62 171 ASN . 54060 1 63 172 SER . 54060 1 64 173 ASP . 54060 1 65 174 GLU . 54060 1 66 175 LEU . 54060 1 67 176 SER . 54060 1 68 177 GLY . 54060 1 69 178 GLU . 54060 1 70 179 ARG . 54060 1 71 180 GLN . 54060 1 72 181 ARG . 54060 1 73 182 LYS . 54060 1 74 183 ARG . 54060 1 75 184 HIS . 54060 1 76 185 LYS . 54060 1 77 186 SER . 54060 1 78 187 ASP . 54060 1 79 188 SER . 54060 1 80 189 ILE . 54060 1 81 190 SER . 54060 1 82 191 LEU . 54060 1 83 192 SER . 54060 1 84 193 PHE . 54060 1 85 194 ASP . 54060 1 86 195 GLU . 54060 1 87 196 SER . 54060 1 88 197 LEU . 54060 1 89 198 ALA . 54060 1 90 199 LEU . 54060 1 91 200 SER . 54060 1 92 201 VAL . 54060 1 93 202 ILE . 54060 1 94 203 ARG . 54060 1 95 204 GLU . 54060 1 96 205 ILE . 54060 1 97 206 SER . 54060 1 98 207 SER . 54060 1 99 208 GLU . 54060 1 100 209 ARG . 54060 1 101 210 SER . 54060 1 102 211 SER . 54060 1 103 212 SER . 54060 1 104 213 SER . 54060 1 105 214 GLU . 54060 1 106 215 SER . 54060 1 107 216 THR . 54060 1 108 217 GLY . 54060 1 109 218 THR . 54060 1 110 219 PRO . 54060 1 111 220 SER . 54060 1 112 221 ASN . 54060 1 113 222 PRO . 54060 1 114 223 ASP . 54060 1 115 224 LEU . 54060 1 116 225 ASP . 54060 1 117 226 ALA . 54060 1 118 227 GLY . 54060 1 119 228 VAL . 54060 1 120 229 SER . 54060 1 121 230 GLU . 54060 1 122 231 HIS . 54060 1 123 232 SER . 54060 1 124 233 GLY . 54060 1 125 234 ASP . 54060 1 126 235 TRP . 54060 1 127 236 LEU . 54060 1 128 237 ASP . 54060 1 129 238 GLN . 54060 1 130 239 ASP . 54060 1 131 240 SER . 54060 1 132 241 VAL . 54060 1 133 242 SER . 54060 1 134 243 ASP . 54060 1 135 244 GLN . 54060 1 136 245 PHE . 54060 1 137 246 SER . 54060 1 138 247 VAL . 54060 1 139 248 GLU . 54060 1 140 249 PHE . 54060 1 141 250 GLU . 54060 1 142 251 VAL . 54060 1 143 252 GLU . 54060 1 144 253 SER . 54060 1 145 254 LEU . 54060 1 146 255 ASP . 54060 1 147 256 SER . 54060 1 148 257 GLU . 54060 1 149 258 ASP . 54060 1 150 259 TYR . 54060 1 151 260 SER . 54060 1 152 261 LEU . 54060 1 153 262 SER . 54060 1 154 263 GLU . 54060 1 155 264 GLU . 54060 1 156 265 GLY . 54060 1 157 266 GLN . 54060 1 158 267 GLU . 54060 1 159 268 LEU . 54060 1 160 269 SER . 54060 1 161 270 ASP . 54060 1 162 271 GLU . 54060 1 163 272 ASP . 54060 1 164 273 ASP . 54060 1 165 274 GLU . 54060 1 166 275 VAL . 54060 1 167 276 TYR . 54060 1 168 277 GLN . 54060 1 169 278 VAL . 54060 1 170 279 THR . 54060 1 171 280 VAL . 54060 1 172 281 TYR . 54060 1 173 282 GLN . 54060 1 174 283 ALA . 54060 1 175 284 GLY . 54060 1 176 285 GLU . 54060 1 177 286 SER . 54060 1 178 287 ASP . 54060 1 179 288 THR . 54060 1 180 289 ASP . 54060 1 181 290 SER . 54060 1 182 291 PHE . 54060 1 183 292 GLU . 54060 1 184 293 GLU . 54060 1 185 294 ASP . 54060 1 186 295 PRO . 54060 1 187 296 GLU . 54060 1 188 297 ILE . 54060 1 189 298 SER . 54060 1 190 299 LEU . 54060 1 191 300 ALA . 54060 1 192 301 ASP . 54060 1 193 302 TYR . 54060 1 194 303 TRP . 54060 1 195 304 LYS . 54060 1 196 305 CYS . 54060 1 197 306 THR . 54060 1 198 307 SER . 54060 1 199 308 CYS . 54060 1 200 309 ASN . 54060 1 201 310 GLU . 54060 1 202 311 MET . 54060 1 203 312 ASN . 54060 1 204 313 PRO . 54060 1 205 314 PRO . 54060 1 206 315 LEU . 54060 1 207 316 PRO . 54060 1 208 317 SER . 54060 1 209 318 HIS . 54060 1 210 319 CYS . 54060 1 211 320 ASN . 54060 1 212 321 ARG . 54060 1 213 322 CYS . 54060 1 214 323 TRP . 54060 1 215 324 ALA . 54060 1 216 325 LEU . 54060 1 217 326 ARG . 54060 1 218 327 GLU . 54060 1 219 328 ASN . 54060 1 220 329 TRP . 54060 1 221 330 LEU . 54060 1 222 331 PRO . 54060 1 223 332 GLU . 54060 1 224 333 ASP . 54060 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 54060 1 . ASN 2 2 54060 1 . GLN 3 3 54060 1 . GLN 4 4 54060 1 . GLU 5 5 54060 1 . SER 6 6 54060 1 . SER 7 7 54060 1 . ASP 8 8 54060 1 . SER 9 9 54060 1 . GLY 10 10 54060 1 . THR 11 11 54060 1 . SER 12 12 54060 1 . VAL 13 13 54060 1 . SER 14 14 54060 1 . GLU 15 15 54060 1 . ASN 16 16 54060 1 . ARG 17 17 54060 1 . ALA 18 18 54060 1 . HIS 19 19 54060 1 . LEU 20 20 54060 1 . GLU 21 21 54060 1 . GLY 22 22 54060 1 . GLY 23 23 54060 1 . SER 24 24 54060 1 . ASP 25 25 54060 1 . GLN 26 26 54060 1 . LYS 27 27 54060 1 . ASP 28 28 54060 1 . LEU 29 29 54060 1 . VAL 30 30 54060 1 . GLN 31 31 54060 1 . GLU 32 32 54060 1 . LEU 33 33 54060 1 . GLN 34 34 54060 1 . GLU 35 35 54060 1 . GLU 36 36 54060 1 . LYS 37 37 54060 1 . PRO 38 38 54060 1 . SER 39 39 54060 1 . SER 40 40 54060 1 . SER 41 41 54060 1 . HIS 42 42 54060 1 . LEU 43 43 54060 1 . VAL 44 44 54060 1 . SER 45 45 54060 1 . ARG 46 46 54060 1 . PRO 47 47 54060 1 . SER 48 48 54060 1 . THR 49 49 54060 1 . SER 50 50 54060 1 . SER 51 51 54060 1 . ARG 52 52 54060 1 . ARG 53 53 54060 1 . ARG 54 54 54060 1 . ALA 55 55 54060 1 . ILE 56 56 54060 1 . SER 57 57 54060 1 . GLU 58 58 54060 1 . THR 59 59 54060 1 . GLU 60 60 54060 1 . GLU 61 61 54060 1 . ASN 62 62 54060 1 . SER 63 63 54060 1 . ASP 64 64 54060 1 . GLU 65 65 54060 1 . LEU 66 66 54060 1 . SER 67 67 54060 1 . GLY 68 68 54060 1 . GLU 69 69 54060 1 . ARG 70 70 54060 1 . GLN 71 71 54060 1 . ARG 72 72 54060 1 . LYS 73 73 54060 1 . ARG 74 74 54060 1 . HIS 75 75 54060 1 . LYS 76 76 54060 1 . SER 77 77 54060 1 . ASP 78 78 54060 1 . SER 79 79 54060 1 . ILE 80 80 54060 1 . SER 81 81 54060 1 . LEU 82 82 54060 1 . SER 83 83 54060 1 . PHE 84 84 54060 1 . ASP 85 85 54060 1 . GLU 86 86 54060 1 . SER 87 87 54060 1 . LEU 88 88 54060 1 . ALA 89 89 54060 1 . LEU 90 90 54060 1 . SER 91 91 54060 1 . VAL 92 92 54060 1 . ILE 93 93 54060 1 . ARG 94 94 54060 1 . GLU 95 95 54060 1 . ILE 96 96 54060 1 . SER 97 97 54060 1 . SER 98 98 54060 1 . GLU 99 99 54060 1 . ARG 100 100 54060 1 . SER 101 101 54060 1 . SER 102 102 54060 1 . SER 103 103 54060 1 . SER 104 104 54060 1 . GLU 105 105 54060 1 . SER 106 106 54060 1 . THR 107 107 54060 1 . GLY 108 108 54060 1 . THR 109 109 54060 1 . PRO 110 110 54060 1 . SER 111 111 54060 1 . ASN 112 112 54060 1 . PRO 113 113 54060 1 . ASP 114 114 54060 1 . LEU 115 115 54060 1 . ASP 116 116 54060 1 . ALA 117 117 54060 1 . GLY 118 118 54060 1 . VAL 119 119 54060 1 . SER 120 120 54060 1 . GLU 121 121 54060 1 . HIS 122 122 54060 1 . SER 123 123 54060 1 . GLY 124 124 54060 1 . ASP 125 125 54060 1 . TRP 126 126 54060 1 . LEU 127 127 54060 1 . ASP 128 128 54060 1 . GLN 129 129 54060 1 . ASP 130 130 54060 1 . SER 131 131 54060 1 . VAL 132 132 54060 1 . SER 133 133 54060 1 . ASP 134 134 54060 1 . GLN 135 135 54060 1 . PHE 136 136 54060 1 . SER 137 137 54060 1 . VAL 138 138 54060 1 . GLU 139 139 54060 1 . PHE 140 140 54060 1 . GLU 141 141 54060 1 . VAL 142 142 54060 1 . GLU 143 143 54060 1 . SER 144 144 54060 1 . LEU 145 145 54060 1 . ASP 146 146 54060 1 . SER 147 147 54060 1 . GLU 148 148 54060 1 . ASP 149 149 54060 1 . TYR 150 150 54060 1 . SER 151 151 54060 1 . LEU 152 152 54060 1 . SER 153 153 54060 1 . GLU 154 154 54060 1 . GLU 155 155 54060 1 . GLY 156 156 54060 1 . GLN 157 157 54060 1 . GLU 158 158 54060 1 . LEU 159 159 54060 1 . SER 160 160 54060 1 . ASP 161 161 54060 1 . GLU 162 162 54060 1 . ASP 163 163 54060 1 . ASP 164 164 54060 1 . GLU 165 165 54060 1 . VAL 166 166 54060 1 . TYR 167 167 54060 1 . GLN 168 168 54060 1 . VAL 169 169 54060 1 . THR 170 170 54060 1 . VAL 171 171 54060 1 . TYR 172 172 54060 1 . GLN 173 173 54060 1 . ALA 174 174 54060 1 . GLY 175 175 54060 1 . GLU 176 176 54060 1 . SER 177 177 54060 1 . ASP 178 178 54060 1 . THR 179 179 54060 1 . ASP 180 180 54060 1 . SER 181 181 54060 1 . PHE 182 182 54060 1 . GLU 183 183 54060 1 . GLU 184 184 54060 1 . ASP 185 185 54060 1 . PRO 186 186 54060 1 . GLU 187 187 54060 1 . ILE 188 188 54060 1 . SER 189 189 54060 1 . LEU 190 190 54060 1 . ALA 191 191 54060 1 . ASP 192 192 54060 1 . TYR 193 193 54060 1 . TRP 194 194 54060 1 . LYS 195 195 54060 1 . CYS 196 196 54060 1 . THR 197 197 54060 1 . SER 198 198 54060 1 . CYS 199 199 54060 1 . ASN 200 200 54060 1 . GLU 201 201 54060 1 . MET 202 202 54060 1 . ASN 203 203 54060 1 . PRO 204 204 54060 1 . PRO 205 205 54060 1 . LEU 206 206 54060 1 . PRO 207 207 54060 1 . SER 208 208 54060 1 . HIS 209 209 54060 1 . CYS 210 210 54060 1 . ASN 211 211 54060 1 . ARG 212 212 54060 1 . CYS 213 213 54060 1 . TRP 214 214 54060 1 . ALA 215 215 54060 1 . LEU 216 216 54060 1 . ARG 217 217 54060 1 . GLU 218 218 54060 1 . ASN 219 219 54060 1 . TRP 220 220 54060 1 . LEU 221 221 54060 1 . PRO 222 222 54060 1 . GLU 223 223 54060 1 . ASP 224 224 54060 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 54060 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 54060 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 54060 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . plasmid . . pET-45b(+) . . . 54060 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 54060 _Sample.ID 1 _Sample.Name Mdm2_aa111-333_1C1A_3C3S _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '97% H2O / 3% 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 Mdm2_aa111-333_1C1A_3C3S '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 200 . . uM 20 . . . 54060 1 2 D2O 'natural abundance' . . . . . . 3 . . % . . . . 54060 1 3 DSS 'natural abundance' . . . . . . 100 . . uM . . . . 54060 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 54060 1 5 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 54060 1 6 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 54060 1 7 'cocktail protease inhibitors' 'natural abundance' . . . . . . 4 . . tablet/100mL . . . . 54060 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 54060 _Sample_condition_list.ID 1 _Sample_condition_list.Name Mdm2_aa111-333_1C1A_3C3S _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.19 . M 54060 1 pH 6.8 . pH 54060 1 pressure 1 . atm 54060 1 temperature 283 . K 54060 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 54060 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 54060 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 54060 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.5pl7 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 54060 2 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 54060 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Homere' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 54060 _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 '1D 1H' no no . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54060 1 2 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54060 1 3 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54060 1 4 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54060 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54060 1 6 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 54060 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 54060 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Mdm2_aa111-333_1C1A_3C3S _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 . . . . . 54060 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 54060 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 54060 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 54060 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name Mdm2_aa111-333_1C1A_3C3S _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 2 '2D 1H-15N HSQC' . . . 54060 1 3 '3D HNCO' . . . 54060 1 4 '3D HNCA' . . . 54060 1 5 '3D HNCACB' . . . 54060 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 2 $software_2 . . 54060 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 . 1 . 1 2 2 ASN C C 13 177.2529863 0 . 1 . . . . . 111 ASN C . 54060 1 2 . 1 . 1 2 2 ASN CA C 13 53.26599484 0 . 1 . . . . . 111 ASN CA . 54060 1 3 . 1 . 1 2 2 ASN CB C 13 39.01283571 0 . 1 . . . . . 111 ASN CB . 54060 1 4 . 1 . 1 3 3 GLN H H 1 8.676389157 0.0009668977071 . 1 . . . . . 112 GLN H . 54060 1 5 . 1 . 1 3 3 GLN C C 13 176.6727993 0 . 1 . . . . . 112 GLN C . 54060 1 6 . 1 . 1 3 3 GLN CA C 13 56.3674452 0 . 1 . . . . . 112 GLN CA . 54060 1 7 . 1 . 1 3 3 GLN CB C 13 29.1849468 0.02562876188 . 1 . . . . . 112 GLN CB . 54060 1 8 . 1 . 1 3 3 GLN N N 15 120.9895952 0.005191092229 . 1 . . . . . 112 GLN N . 54060 1 9 . 1 . 1 4 4 GLN H H 1 8.518700527 0.0007111451225 . 1 . . . . . 113 GLN H . 54060 1 10 . 1 . 1 4 4 GLN C C 13 176.5877151 0 . 1 . . . . . 113 GLN C . 54060 1 11 . 1 . 1 4 4 GLN CA C 13 56.14994981 0 . 1 . . . . . 113 GLN CA . 54060 1 12 . 1 . 1 4 4 GLN CB C 13 29.3736971 0 . 1 . . . . . 113 GLN CB . 54060 1 13 . 1 . 1 4 4 GLN N N 15 121.4417614 0.002822594693 . 1 . . . . . 113 GLN N . 54060 1 14 . 1 . 1 5 5 GLU H H 1 8.545602218 0.0009939943991 . 1 . . . . . 114 GLU H . 54060 1 15 . 1 . 1 5 5 GLU C C 13 176.0648017 0 . 1 . . . . . 114 GLU C . 54060 1 16 . 1 . 1 5 5 GLU CA C 13 56.64837675 0 . 1 . . . . . 114 GLU CA . 54060 1 17 . 1 . 1 5 5 GLU CB C 13 30.42102254 0 . 1 . . . . . 114 GLU CB . 54060 1 18 . 1 . 1 5 5 GLU N N 15 122.5222031 0 . 1 . . . . . 114 GLU N . 54060 1 19 . 1 . 1 6 6 SER H H 1 8.489734441 0.001922909483 . 1 . . . . . 115 SER H . 54060 1 20 . 1 . 1 6 6 SER C C 13 177.8743184 0 . 1 . . . . . 115 SER C . 54060 1 21 . 1 . 1 6 6 SER CA C 13 58.29841698 0 . 1 . . . . . 115 SER CA . 54060 1 22 . 1 . 1 6 6 SER CB C 13 63.87626755 0 . 1 . . . . . 115 SER CB . 54060 1 23 . 1 . 1 6 6 SER N N 15 117.0786318 0.002822594049 . 1 . . . . . 115 SER N . 54060 1 24 . 1 . 1 7 7 SER H H 1 8.513481639 0.002593481906 . 1 . . . . . 116 SER H . 54060 1 25 . 1 . 1 7 7 SER C C 13 178.0122968 0 . 1 . . . . . 116 SER C . 54060 1 26 . 1 . 1 7 7 SER CA C 13 58.49605999 0.01369543735 . 1 . . . . . 116 SER CA . 54060 1 27 . 1 . 1 7 7 SER CB C 13 63.83278716 0 . 1 . . . . . 116 SER CB . 54060 1 28 . 1 . 1 7 7 SER N N 15 118.1254675 0.002868047039 . 1 . . . . . 116 SER N . 54060 1 29 . 1 . 1 8 8 ASP H H 1 8.437550387 0.001392425325 . 1 . . . . . 117 ASP H . 54060 1 30 . 1 . 1 8 8 ASP C C 13 175.2891484 0 . 1 . . . . . 117 ASP C . 54060 1 31 . 1 . 1 8 8 ASP CA C 13 54.41685359 0.00778637095 . 1 . . . . . 117 ASP CA . 54060 1 32 . 1 . 1 8 8 ASP CB C 13 41.30346083 0 . 1 . . . . . 117 ASP CB . 54060 1 33 . 1 . 1 8 8 ASP N N 15 122.5541885 0.004360200852 . 1 . . . . . 117 ASP N . 54060 1 34 . 1 . 1 9 9 SER H H 1 8.375270412 0.0002399158255 . 1 . . . . . 118 SER H . 54060 1 35 . 1 . 1 9 9 SER C C 13 177.3436856 0 . 1 . . . . . 118 SER C . 54060 1 36 . 1 . 1 9 9 SER CA C 13 58.8794813 0 . 1 . . . . . 118 SER CA . 54060 1 37 . 1 . 1 9 9 SER CB C 13 63.82782894 0 . 1 . . . . . 118 SER CB . 54060 1 38 . 1 . 1 9 9 SER N N 15 116.6620434 0.0103114251 . 1 . . . . . 118 SER N . 54060 1 39 . 1 . 1 10 10 GLY H H 1 8.547478768 0.0004937324117 . 1 . . . . . 119 GLY H . 54060 1 40 . 1 . 1 10 10 GLY C C 13 178.130693 0 . 1 . . . . . 119 GLY C . 54060 1 41 . 1 . 1 10 10 GLY CA C 13 45.5550897 0 . 1 . . . . . 119 GLY CA . 54060 1 42 . 1 . 1 10 10 GLY N N 15 110.9596788 0.006109541213 . 1 . . . . . 119 GLY N . 54060 1 43 . 1 . 1 11 11 THR H H 1 8.10211255 0.0007738106843 . 1 . . . . . 120 THR H . 54060 1 44 . 1 . 1 11 11 THR C C 13 177.8741158 0 . 1 . . . . . 120 THR C . 54060 1 45 . 1 . 1 11 11 THR CA C 13 61.88304968 0 . 1 . . . . . 120 THR CA . 54060 1 46 . 1 . 1 11 11 THR CB C 13 69.8946869 0 . 1 . . . . . 120 THR CB . 54060 1 47 . 1 . 1 11 11 THR N N 15 113.5983837 0.00872973435 . 1 . . . . . 120 THR N . 54060 1 48 . 1 . 1 12 12 SER H H 1 8.455224114 0.001897500149 . 1 . . . . . 121 SER H . 54060 1 49 . 1 . 1 12 12 SER C C 13 177.9563418 0 . 1 . . . . . 121 SER C . 54060 1 50 . 1 . 1 12 12 SER CA C 13 58.43113098 0 . 1 . . . . . 121 SER CA . 54060 1 51 . 1 . 1 12 12 SER CB C 13 63.79453129 0 . 1 . . . . . 121 SER CB . 54060 1 52 . 1 . 1 12 12 SER N N 15 118.7743068 0 . 1 . . . . . 121 SER N . 54060 1 53 . 1 . 1 13 13 VAL H H 1 8.286821679 0.0002875226744 . 1 . . . . . 122 VAL H . 54060 1 54 . 1 . 1 13 13 VAL C C 13 176.2766137 0 . 1 . . . . . 122 VAL C . 54060 1 55 . 1 . 1 13 13 VAL CA C 13 62.62658306 0 . 1 . . . . . 122 VAL CA . 54060 1 56 . 1 . 1 13 13 VAL CB C 13 32.54356047 0 . 1 . . . . . 122 VAL CB . 54060 1 57 . 1 . 1 13 13 VAL N N 15 121.9204837 0.004795204008 . 1 . . . . . 122 VAL N . 54060 1 58 . 1 . 1 14 14 SER H H 1 8.401600535 0.003733644122 . 1 . . . . . 123 SER H . 54060 1 59 . 1 . 1 14 14 SER C C 13 177.8391476 0 . 1 . . . . . 123 SER C . 54060 1 60 . 1 . 1 14 14 SER CA C 13 58.64030081 0 . 1 . . . . . 123 SER CA . 54060 1 61 . 1 . 1 14 14 SER CB C 13 63.78314265 0 . 1 . . . . . 123 SER CB . 54060 1 62 . 1 . 1 14 14 SER N N 15 119.12995 0.0001977995022 . 1 . . . . . 123 SER N . 54060 1 63 . 1 . 1 15 15 GLU H H 1 8.474006464 0.002847167649 . 1 . . . . . 124 GLU H . 54060 1 64 . 1 . 1 15 15 GLU C C 13 176.3822924 0 . 1 . . . . . 124 GLU C . 54060 1 65 . 1 . 1 15 15 GLU CA C 13 56.83624582 0 . 1 . . . . . 124 GLU CA . 54060 1 66 . 1 . 1 15 15 GLU CB C 13 30.30689334 0 . 1 . . . . . 124 GLU CB . 54060 1 67 . 1 . 1 15 15 GLU N N 15 123.089909 0.002984939977 . 1 . . . . . 124 GLU N . 54060 1 68 . 1 . 1 16 16 ASN H H 1 8.482463447 0.001563940072 . 1 . . . . . 125 ASN H . 54060 1 69 . 1 . 1 16 16 ASN C C 13 177.254141 0.003774237165 . 1 . . . . . 125 ASN C . 54060 1 70 . 1 . 1 16 16 ASN CA C 13 53.46519976 0 . 1 . . . . . 125 ASN CA . 54060 1 71 . 1 . 1 16 16 ASN CB C 13 38.64471436 0 . 1 . . . . . 125 ASN CB . 54060 1 72 . 1 . 1 16 16 ASN N N 15 119.8573158 0.002923570085 . 1 . . . . . 125 ASN N . 54060 1 73 . 1 . 1 17 17 ARG H H 1 8.365299661 0.001368992142 . 1 . . . . . 126 ARG H . 54060 1 74 . 1 . 1 17 17 ARG C C 13 176.3822924 0 . 1 . . . . . 126 ARG C . 54060 1 75 . 1 . 1 17 17 ARG CA C 13 56.34392192 0 . 1 . . . . . 126 ARG CA . 54060 1 76 . 1 . 1 17 17 ARG CB C 13 30.66467596 0 . 1 . . . . . 126 ARG CB . 54060 1 77 . 1 . 1 17 17 ARG N N 15 121.8764759 0.00578290963 . 1 . . . . . 126 ARG N . 54060 1 78 . 1 . 1 18 18 ALA H H 1 8.296581863 0.0006254666161 . 1 . . . . . 127 ALA H . 54060 1 79 . 1 . 1 18 18 ALA C C 13 174.8348554 0 . 1 . . . . . 127 ALA C . 54060 1 80 . 1 . 1 18 18 ALA CA C 13 53.05884005 0 . 1 . . . . . 127 ALA CA . 54060 1 81 . 1 . 1 18 18 ALA CB C 13 18.9673795 0 . 1 . . . . . 127 ALA CB . 54060 1 82 . 1 . 1 18 18 ALA N N 15 124.3329835 0.006060241235 . 1 . . . . . 127 ALA N . 54060 1 83 . 1 . 1 19 19 HIS C C 13 177.5724349 0 . 1 . . . . . 128 HIS C . 54060 1 84 . 1 . 1 19 19 HIS CA C 13 56.01436417 0 . 1 . . . . . 128 HIS CA . 54060 1 85 . 1 . 1 19 19 HIS CB C 13 29.81234592 0 . 1 . . . . . 128 HIS CB . 54060 1 86 . 1 . 1 20 20 LEU H H 1 8.15123196 0.001198941751 . 1 . . . . . 129 LEU H . 54060 1 87 . 1 . 1 20 20 LEU C C 13 175.2449891 0 . 1 . . . . . 129 LEU C . 54060 1 88 . 1 . 1 20 20 LEU CA C 13 55.13716284 0 . 1 . . . . . 129 LEU CA . 54060 1 89 . 1 . 1 20 20 LEU CB C 13 42.38505603 0 . 1 . . . . . 129 LEU CB . 54060 1 90 . 1 . 1 20 20 LEU N N 15 123.4589993 0.0003598500197 . 1 . . . . . 129 LEU N . 54060 1 91 . 1 . 1 21 21 GLU H H 1 8.486191617 0 . 1 . . . . . 130 GLU H . 54060 1 92 . 1 . 1 21 21 GLU C C 13 175.6013859 0 . 1 . . . . . 130 GLU C . 54060 1 93 . 1 . 1 21 21 GLU CA C 13 56.74415195 0 . 1 . . . . . 130 GLU CA . 54060 1 94 . 1 . 1 21 21 GLU CB C 13 30.09627188 0 . 1 . . . . . 130 GLU CB . 54060 1 95 . 1 . 1 21 21 GLU N N 15 121.86256 0 . 1 . . . . . 130 GLU N . 54060 1 96 . 1 . 1 22 22 GLY H H 1 8.514150267 0.001120509022 . 1 . . . . . 131 GLY H . 54060 1 97 . 1 . 1 22 22 GLY C C 13 177.8795835 0 . 1 . . . . . 131 GLY C . 54060 1 98 . 1 . 1 22 22 GLY CA C 13 45.45154539 0 . 1 . . . . . 131 GLY CA . 54060 1 99 . 1 . 1 22 22 GLY N N 15 110.3607944 0.005375383571 . 1 . . . . . 131 GLY N . 54060 1 100 . 1 . 1 23 23 GLY H H 1 8.345516425 0.0002962228515 . 1 . . . . . 132 GLY H . 54060 1 101 . 1 . 1 23 23 GLY C C 13 178.2424822 0 . 1 . . . . . 132 GLY C . 54060 1 102 . 1 . 1 23 23 GLY CA C 13 45.26428173 0 . 1 . . . . . 132 GLY CA . 54060 1 103 . 1 . 1 23 23 GLY N N 15 108.8437791 0.006873861398 . 1 . . . . . 132 GLY N . 54060 1 104 . 1 . 1 24 24 SER H H 1 8.388447898 0.001792033172 . 1 . . . . . 133 SER H . 54060 1 105 . 1 . 1 24 24 SER C C 13 178.2437696 0 . 1 . . . . . 133 SER C . 54060 1 106 . 1 . 1 24 24 SER CA C 13 58.5134736 0 . 1 . . . . . 133 SER CA . 54060 1 107 . 1 . 1 24 24 SER CB C 13 63.91396736 0 . 1 . . . . . 133 SER CB . 54060 1 108 . 1 . 1 24 24 SER N N 15 115.5851204 0.00363088148 . 1 . . . . . 133 SER N . 54060 1 109 . 1 . 1 25 25 ASP H H 1 8.549682433 0.0009747300698 . 1 . . . . . 134 ASP H . 54060 1 110 . 1 . 1 25 25 ASP C C 13 176.3701835 0 . 1 . . . . . 134 ASP C . 54060 1 111 . 1 . 1 25 25 ASP CA C 13 54.45264254 0 . 1 . . . . . 134 ASP CA . 54060 1 112 . 1 . 1 25 25 ASP CB C 13 41.05706809 0 . 1 . . . . . 134 ASP CB . 54060 1 113 . 1 . 1 25 25 ASP N N 15 122.3291701 0.005433584839 . 1 . . . . . 134 ASP N . 54060 1 114 . 1 . 1 26 26 GLN H H 1 8.317725123 0.0007995505152 . 1 . . . . . 135 GLN H . 54060 1 115 . 1 . 1 26 26 GLN C C 13 176.4589231 0 . 1 . . . . . 135 GLN C . 54060 1 116 . 1 . 1 26 26 GLN CA C 13 56.11411552 0 . 1 . . . . . 135 GLN CA . 54060 1 117 . 1 . 1 26 26 GLN CB C 13 29.15396878 0 . 1 . . . . . 135 GLN CB . 54060 1 118 . 1 . 1 26 26 GLN N N 15 120.6588632 0.006268677055 . 1 . . . . . 135 GLN N . 54060 1 119 . 1 . 1 27 27 LYS H H 1 8.377135561 0.001834222763 . 1 . . . . . 136 LYS H . 54060 1 120 . 1 . 1 27 27 LYS C C 13 176.2615829 0 . 1 . . . . . 136 LYS C . 54060 1 121 . 1 . 1 27 27 LYS CA C 13 56.72071579 0 . 1 . . . . . 136 LYS CA . 54060 1 122 . 1 . 1 27 27 LYS CB C 13 32.83697685 0 . 1 . . . . . 136 LYS CB . 54060 1 123 . 1 . 1 27 27 LYS N N 15 122.3505922 0.006546130546 . 1 . . . . . 136 LYS N . 54060 1 124 . 1 . 1 28 28 ASP H H 1 8.387612611 0.001806856177 . 1 . . . . . 137 ASP H . 54060 1 125 . 1 . 1 28 28 ASP C C 13 176.588739 0 . 1 . . . . . 137 ASP C . 54060 1 126 . 1 . 1 28 28 ASP CA C 13 54.47065438 0 . 1 . . . . . 137 ASP CA . 54060 1 127 . 1 . 1 28 28 ASP CB C 13 40.99352091 0 . 1 . . . . . 137 ASP CB . 54060 1 128 . 1 . 1 28 28 ASP N N 15 120.7277339 0.007021759508 . 1 . . . . . 137 ASP N . 54060 1 129 . 1 . 1 29 29 LEU H H 1 8.113885956 0.0007656404992 . 1 . . . . . 138 LEU H . 54060 1 130 . 1 . 1 29 29 LEU C C 13 175.2516957 0 . 1 . . . . . 138 LEU C . 54060 1 131 . 1 . 1 29 29 LEU CA C 13 55.39437787 0 . 1 . . . . . 138 LEU CA . 54060 1 132 . 1 . 1 29 29 LEU CB C 13 42.28752394 0 . 1 . . . . . 138 LEU CB . 54060 1 133 . 1 . 1 29 29 LEU N N 15 122.3483263 0.005266319965 . 1 . . . . . 138 LEU N . 54060 1 134 . 1 . 1 30 30 VAL H H 1 8.174161065 0.0008056854883 . 1 . . . . . 139 VAL H . 54060 1 135 . 1 . 1 30 30 VAL C C 13 176.392115 0 . 1 . . . . . 139 VAL C . 54060 1 136 . 1 . 1 30 30 VAL CA C 13 62.72195221 0 . 1 . . . . . 139 VAL CA . 54060 1 137 . 1 . 1 30 30 VAL CB C 13 32.55326515 0 . 1 . . . . . 139 VAL CB . 54060 1 138 . 1 . 1 30 30 VAL N N 15 121.8339732 0.01316579941 . 1 . . . . . 139 VAL N . 54060 1 139 . 1 . 1 31 31 GLN H H 1 8.469630289 0.001110216261 . 1 . . . . . 140 GLN H . 54060 1 140 . 1 . 1 31 31 GLN C C 13 176.7460382 0 . 1 . . . . . 140 GLN C . 54060 1 141 . 1 . 1 31 31 GLN CA C 13 55.90522436 0 . 1 . . . . . 140 GLN CA . 54060 1 142 . 1 . 1 31 31 GLN CB C 13 29.65115833 0 . 1 . . . . . 140 GLN CB . 54060 1 143 . 1 . 1 31 31 GLN N N 15 124.4789012 0.005328053541 . 1 . . . . . 140 GLN N . 54060 1 144 . 1 . 1 32 32 GLU H H 1 8.52830559 0.00166947825 . 1 . . . . . 141 GLU H . 54060 1 145 . 1 . 1 32 32 GLU C C 13 176.2348158 0 . 1 . . . . . 141 GLU C . 54060 1 146 . 1 . 1 32 32 GLU CA C 13 56.70132405 0 . 1 . . . . . 141 GLU CA . 54060 1 147 . 1 . 1 32 32 GLU CB C 13 30.32425506 0 . 1 . . . . . 141 GLU CB . 54060 1 148 . 1 . 1 32 32 GLU N N 15 122.723006 0.005175245814 . 1 . . . . . 141 GLU N . 54060 1 149 . 1 . 1 33 33 LEU H H 1 8.373710902 0.0005206484793 . 1 . . . . . 142 LEU H . 54060 1 150 . 1 . 1 33 33 LEU C C 13 175.3593019 0 . 1 . . . . . 142 LEU C . 54060 1 151 . 1 . 1 33 33 LEU CA C 13 55.2196193 0 . 1 . . . . . 142 LEU CA . 54060 1 152 . 1 . 1 33 33 LEU CB C 13 42.33678206 0 . 1 . . . . . 142 LEU CB . 54060 1 153 . 1 . 1 33 33 LEU N N 15 123.4605062 0 . 1 . . . . . 142 LEU N . 54060 1 154 . 1 . 1 34 34 GLN H H 1 8.456339903 0.001648419737 . 1 . . . . . 143 GLN H . 54060 1 155 . 1 . 1 34 34 GLN C C 13 176.869141 0 . 1 . . . . . 143 GLN C . 54060 1 156 . 1 . 1 34 34 GLN CA C 13 55.63780968 0 . 1 . . . . . 143 GLN CA . 54060 1 157 . 1 . 1 34 34 GLN CB C 13 29.50387975 0 . 1 . . . . . 143 GLN CB . 54060 1 158 . 1 . 1 34 34 GLN N N 15 121.805219 0.001832112861 . 1 . . . . . 143 GLN N . 54060 1 159 . 1 . 1 35 35 GLU H H 1 8.470284129 0.001168568973 . 1 . . . . . 144 GLU H . 54060 1 160 . 1 . 1 35 35 GLU C C 13 176.4048081 0 . 1 . . . . . 144 GLU C . 54060 1 161 . 1 . 1 35 35 GLU CA C 13 56.40971875 0 . 1 . . . . . 144 GLU CA . 54060 1 162 . 1 . 1 35 35 GLU CB C 13 30.64237982 0 . 1 . . . . . 144 GLU CB . 54060 1 163 . 1 . 1 35 35 GLU N N 15 122.5192142 0.003664224481 . 1 . . . . . 144 GLU N . 54060 1 164 . 1 . 1 36 36 GLU H H 1 8.545269207 0 . 1 . . . . . 145 GLU H . 54060 1 165 . 1 . 1 36 36 GLU C C 13 176.487095 0 . 1 . . . . . 145 GLU C . 54060 1 166 . 1 . 1 36 36 GLU CA C 13 56.41797113 0 . 1 . . . . . 145 GLU CA . 54060 1 167 . 1 . 1 36 36 GLU CB C 13 30.40640506 0 . 1 . . . . . 145 GLU CB . 54060 1 168 . 1 . 1 36 36 GLU N N 15 123.0150017 0 . 1 . . . . . 145 GLU N . 54060 1 169 . 1 . 1 37 37 LYS H H 1 8.499875218 0.00100788351 . 1 . . . . . 146 LYS H . 54060 1 170 . 1 . 1 37 37 LYS C C 13 176.3225213 0 . 1 . . . . . 146 LYS C . 54060 1 171 . 1 . 1 37 37 LYS CA C 13 54.10612426 0 . 1 . . . . . 146 LYS CA . 54060 1 172 . 1 . 1 37 37 LYS CB C 13 32.38686091 0 . 1 . . . . . 146 LYS CB . 54060 1 173 . 1 . 1 37 37 LYS N N 15 124.2257305 0.002093842729 . 1 . . . . . 146 LYS N . 54060 1 174 . 1 . 1 38 38 PRO C C 13 175.5368634 0 . 1 . . . . . 147 PRO C . 54060 1 175 . 1 . 1 38 38 PRO CA C 13 63.18624855 0 . 1 . . . . . 147 PRO CA . 54060 1 176 . 1 . 1 38 38 PRO CB C 13 32.22077487 0 . 1 . . . . . 147 PRO CB . 54060 1 177 . 1 . 1 39 39 SER H H 1 8.591778602 0.001120694494 . 1 . . . . . 148 SER H . 54060 1 178 . 1 . 1 39 39 SER CA C 13 58.44674626 0 . 1 . . . . . 148 SER CA . 54060 1 179 . 1 . 1 39 39 SER CB C 13 63.80129846 0 . 1 . . . . . 148 SER CB . 54060 1 180 . 1 . 1 39 39 SER N N 15 116.5264338 0.0000013 . 1 . . . . . 148 SER N . 54060 1 181 . 1 . 1 42 42 HIS C C 13 177.7827131 0 . 1 . . . . . 151 HIS C . 54060 1 182 . 1 . 1 42 42 HIS CA C 13 56.18021214 0 . 1 . . . . . 151 HIS CA . 54060 1 183 . 1 . 1 42 42 HIS CB C 13 30.19152165 0 . 1 . . . . . 151 HIS CB . 54060 1 184 . 1 . 1 43 43 LEU H H 1 8.095458236 0.001472574564 . 1 . . . . . 152 LEU H . 54060 1 185 . 1 . 1 43 43 LEU C C 13 175.5349187 0 . 1 . . . . . 152 LEU C . 54060 1 186 . 1 . 1 43 43 LEU CA C 13 55.17973123 0 . 1 . . . . . 152 LEU CA . 54060 1 187 . 1 . 1 43 43 LEU CB C 13 42.27699116 0 . 1 . . . . . 152 LEU CB . 54060 1 188 . 1 . 1 43 43 LEU N N 15 123.1707039 0.0000019 . 1 . . . . . 152 LEU N . 54060 1 189 . 1 . 1 44 44 VAL H H 1 8.12744293 0.001854554224 . 1 . . . . . 153 VAL H . 54060 1 190 . 1 . 1 44 44 VAL C C 13 176.6231739 0 . 1 . . . . . 153 VAL C . 54060 1 191 . 1 . 1 44 44 VAL CA C 13 62.22413516 0 . 1 . . . . . 153 VAL CA . 54060 1 192 . 1 . 1 44 44 VAL CB C 13 32.84226047 0 . 1 . . . . . 153 VAL CB . 54060 1 193 . 1 . 1 44 44 VAL N N 15 121.2661621 0.009147952749 . 1 . . . . . 153 VAL N . 54060 1 194 . 1 . 1 45 45 SER H H 1 8.417201677 0.001171136396 . 1 . . . . . 154 SER H . 54060 1 195 . 1 . 1 45 45 SER C C 13 178.696587 0 . 1 . . . . . 154 SER C . 54060 1 196 . 1 . 1 45 45 SER CA C 13 58.13746489 0 . 1 . . . . . 154 SER CA . 54060 1 197 . 1 . 1 45 45 SER CB C 13 63.81400181 0 . 1 . . . . . 154 SER CB . 54060 1 198 . 1 . 1 45 45 SER N N 15 120.0588018 0.002800977348 . 1 . . . . . 154 SER N . 54060 1 199 . 1 . 1 46 46 ARG H H 1 8.430757576 0.001446510488 . 1 . . . . . 155 ARG H . 54060 1 200 . 1 . 1 46 46 ARG C C 13 178.5778653 0 . 1 . . . . . 155 ARG C . 54060 1 201 . 1 . 1 46 46 ARG CA C 13 53.93267307 0 . 1 . . . . . 155 ARG CA . 54060 1 202 . 1 . 1 46 46 ARG CB C 13 30.28291259 0 . 1 . . . . . 155 ARG CB . 54060 1 203 . 1 . 1 46 46 ARG N N 15 124.3291974 0.003168944811 . 1 . . . . . 155 ARG N . 54060 1 204 . 1 . 1 47 47 PRO C C 13 175.5985507 0 . 1 . . . . . 156 PRO C . 54060 1 205 . 1 . 1 47 47 PRO CA C 13 63.17093768 0 . 1 . . . . . 156 PRO CA . 54060 1 206 . 1 . 1 48 48 SER H H 1 8.635181326 0.0009059203899 . 1 . . . . . 157 SER H . 54060 1 207 . 1 . 1 48 48 SER C C 13 178.5483721 0 . 1 . . . . . 157 SER C . 54060 1 208 . 1 . 1 48 48 SER CA C 13 58.36395481 0 . 1 . . . . . 157 SER CA . 54060 1 209 . 1 . 1 48 48 SER CB C 13 63.82762166 0 . 1 . . . . . 157 SER CB . 54060 1 210 . 1 . 1 48 48 SER N N 15 116.6710192 0.003223533177 . 1 . . . . . 157 SER N . 54060 1 211 . 1 . 1 49 49 THR H H 1 8.336548414 0.00776954267 . 1 . . . . . 158 THR H . 54060 1 212 . 1 . 1 49 49 THR CA C 13 62.00951344 0 . 1 . . . . . 158 THR CA . 54060 1 213 . 1 . 1 49 49 THR CB C 13 69.66467842 0 . 1 . . . . . 158 THR CB . 54060 1 214 . 1 . 1 49 49 THR N N 15 115.7939403 0.01582206009 . 1 . . . . . 158 THR N . 54060 1 215 . 1 . 1 50 50 SER C C 13 177.7736427 0 . 1 . . . . . 159 SER C . 54060 1 216 . 1 . 1 51 51 SER H H 1 8.461986902 0.001315376293 . 1 . . . . . 160 SER H . 54060 1 217 . 1 . 1 51 51 SER C C 13 178.0677908 0 . 1 . . . . . 160 SER C . 54060 1 218 . 1 . 1 51 51 SER CA C 13 58.72905803 0 . 1 . . . . . 160 SER CA . 54060 1 219 . 1 . 1 51 51 SER CB C 13 63.81797979 0 . 1 . . . . . 160 SER CB . 54060 1 220 . 1 . 1 51 51 SER N N 15 118.4543232 0.003726789623 . 1 . . . . . 160 SER N . 54060 1 221 . 1 . 1 52 52 ARG H H 1 8.347922046 0.002636282144 . 1 . . . . . 161 ARG H . 54060 1 222 . 1 . 1 52 52 ARG C C 13 176.3528524 0 . 1 . . . . . 161 ARG C . 54060 1 223 . 1 . 1 52 52 ARG CA C 13 56.2384615 0 . 1 . . . . . 161 ARG CA . 54060 1 224 . 1 . 1 52 52 ARG CB C 13 30.57891456 0 . 1 . . . . . 161 ARG CB . 54060 1 225 . 1 . 1 52 52 ARG N N 15 123.0558998 0.01052416445 . 1 . . . . . 161 ARG N . 54060 1 226 . 1 . 1 53 53 ARG H H 1 8.388129512 0.002757850802 . 1 . . . . . 162 ARG H . 54060 1 227 . 1 . 1 53 53 ARG C C 13 176.3809954 0 . 1 . . . . . 162 ARG C . 54060 1 228 . 1 . 1 53 53 ARG CA C 13 56.30418119 0 . 1 . . . . . 162 ARG CA . 54060 1 229 . 1 . 1 53 53 ARG CB C 13 30.30308302 0 . 1 . . . . . 162 ARG CB . 54060 1 230 . 1 . 1 53 53 ARG N N 15 122.7576163 0.002218223499 . 1 . . . . . 162 ARG N . 54060 1 231 . 1 . 1 54 54 ARG H H 1 8.421060226 0.000491374329 . 1 . . . . . 163 ARG H . 54060 1 232 . 1 . 1 54 54 ARG C C 13 176.7489997 0 . 1 . . . . . 163 ARG C . 54060 1 233 . 1 . 1 54 54 ARG CA C 13 56.07537549 0 . 1 . . . . . 163 ARG CA . 54060 1 234 . 1 . 1 54 54 ARG CB C 13 31.05743948 0 . 1 . . . . . 163 ARG CB . 54060 1 235 . 1 . 1 54 54 ARG N N 15 122.9831617 0.007793386719 . 1 . . . . . 163 ARG N . 54060 1 236 . 1 . 1 55 55 ALA H H 1 8.460629367 0.001177090544 . 1 . . . . . 164 ALA H . 54060 1 237 . 1 . 1 55 55 ALA C C 13 174.8086136 0 . 1 . . . . . 164 ALA C . 54060 1 238 . 1 . 1 55 55 ALA CA C 13 52.46746274 0 . 1 . . . . . 164 ALA CA . 54060 1 239 . 1 . 1 55 55 ALA CB C 13 19.22863838 0 . 1 . . . . . 164 ALA CB . 54060 1 240 . 1 . 1 55 55 ALA N N 15 125.8796513 0.004903118743 . 1 . . . . . 164 ALA N . 54060 1 241 . 1 . 1 56 56 ILE H H 1 8.242241336 0.0007918707644 . 1 . . . . . 165 ILE H . 54060 1 242 . 1 . 1 56 56 ILE C C 13 176.2328378 0 . 1 . . . . . 165 ILE C . 54060 1 243 . 1 . 1 56 56 ILE CA C 13 61.51396118 0 . 1 . . . . . 165 ILE CA . 54060 1 244 . 1 . 1 56 56 ILE CB C 13 38.67244045 0 . 1 . . . . . 165 ILE CB . 54060 1 245 . 1 . 1 56 56 ILE N N 15 120.3283324 0.00428219988 . 1 . . . . . 165 ILE N . 54060 1 246 . 1 . 1 57 57 SER H H 1 8.362904875 0.001219542104 . 1 . . . . . 166 SER H . 54060 1 247 . 1 . 1 57 57 SER C C 13 177.9678617 0 . 1 . . . . . 166 SER C . 54060 1 248 . 1 . 1 57 57 SER CA C 13 58.29389866 0 . 1 . . . . . 166 SER CA . 54060 1 249 . 1 . 1 57 57 SER CB C 13 63.80713097 0 . 1 . . . . . 166 SER CB . 54060 1 250 . 1 . 1 57 57 SER N N 15 118.8948073 0.0000013 . 1 . . . . . 166 SER N . 54060 1 251 . 1 . 1 58 58 GLU H H 1 8.556733624 0.001805157451 . 1 . . . . . 167 GLU H . 54060 1 252 . 1 . 1 58 58 GLU C C 13 175.9060745 0 . 1 . . . . . 167 GLU C . 54060 1 253 . 1 . 1 58 58 GLU CA C 13 57.07227706 0 . 1 . . . . . 167 GLU CA . 54060 1 254 . 1 . 1 58 58 GLU CB C 13 30.21058343 0 . 1 . . . . . 167 GLU CB . 54060 1 255 . 1 . 1 58 58 GLU N N 15 123.1681728 0.006622874219 . 1 . . . . . 167 GLU N . 54060 1 256 . 1 . 1 59 59 THR H H 1 8.163347464 0.002723853068 . 1 . . . . . 168 THR H . 54060 1 257 . 1 . 1 59 59 THR C C 13 178.0080338 0 . 1 . . . . . 168 THR C . 54060 1 258 . 1 . 1 59 59 THR CA C 13 61.96451532 0 . 1 . . . . . 168 THR CA . 54060 1 259 . 1 . 1 59 59 THR CB C 13 69.86830236 0 . 1 . . . . . 168 THR CB . 54060 1 260 . 1 . 1 59 59 THR N N 15 113.8290637 0.00210966684 . 1 . . . . . 168 THR N . 54060 1 261 . 1 . 1 60 60 GLU H H 1 8.375509991 0.00193874223 . 1 . . . . . 169 GLU H . 54060 1 262 . 1 . 1 60 60 GLU C C 13 176.1347495 0 . 1 . . . . . 169 GLU C . 54060 1 263 . 1 . 1 60 60 GLU CA C 13 56.67850338 0 . 1 . . . . . 169 GLU CA . 54060 1 264 . 1 . 1 60 60 GLU CB C 13 30.3983867 0 . 1 . . . . . 169 GLU CB . 54060 1 265 . 1 . 1 60 60 GLU N N 15 123.1538141 0.006640472272 . 1 . . . . . 169 GLU N . 54060 1 266 . 1 . 1 61 61 GLU H H 1 8.497926019 0.0006666870297 . 1 . . . . . 170 GLU H . 54060 1 267 . 1 . 1 61 61 GLU C C 13 176.3951046 0 . 1 . . . . . 170 GLU C . 54060 1 268 . 1 . 1 61 61 GLU CA C 13 56.82608373 0 . 1 . . . . . 170 GLU CA . 54060 1 269 . 1 . 1 61 61 GLU CB C 13 30.32632598 0 . 1 . . . . . 170 GLU CB . 54060 1 270 . 1 . 1 61 61 GLU N N 15 122.146671 0.00889647874 . 1 . . . . . 170 GLU N . 54060 1 271 . 1 . 1 62 62 ASN H H 1 8.569354859 0.0008256045192 . 1 . . . . . 171 ASN H . 54060 1 272 . 1 . 1 62 62 ASN C C 13 177.3036906 0 . 1 . . . . . 171 ASN C . 54060 1 273 . 1 . 1 62 62 ASN CA C 13 53.21169114 0 . 1 . . . . . 171 ASN CA . 54060 1 274 . 1 . 1 62 62 ASN CB C 13 39.05427887 0 . 1 . . . . . 171 ASN CB . 54060 1 275 . 1 . 1 62 62 ASN N N 15 119.9411052 0.007845060337 . 1 . . . . . 171 ASN N . 54060 1 276 . 1 . 1 63 63 SER H H 1 8.385821488 0 . 1 . . . . . 172 SER H . 54060 1 277 . 1 . 1 63 63 SER C C 13 177.9526674 0 . 1 . . . . . 172 SER C . 54060 1 278 . 1 . 1 63 63 SER CA C 13 58.77896775 0 . 1 . . . . . 172 SER CA . 54060 1 279 . 1 . 1 63 63 SER CB C 13 63.80310985 0 . 1 . . . . . 172 SER CB . 54060 1 280 . 1 . 1 63 63 SER N N 15 116.7747303 0 . 1 . . . . . 172 SER N . 54060 1 281 . 1 . 1 64 64 ASP H H 1 8.525107825 0.001960596038 . 1 . . . . . 173 ASP H . 54060 1 282 . 1 . 1 64 64 ASP C C 13 175.8795579 0 . 1 . . . . . 173 ASP C . 54060 1 283 . 1 . 1 64 64 ASP CA C 13 54.86230033 0 . 1 . . . . . 173 ASP CA . 54060 1 284 . 1 . 1 64 64 ASP CB C 13 41.17638322 0 . 1 . . . . . 173 ASP CB . 54060 1 285 . 1 . 1 64 64 ASP N N 15 122.6992541 0.003534354844 . 1 . . . . . 173 ASP N . 54060 1 286 . 1 . 1 65 65 GLU H H 1 8.410977181 0.001114488419 . 1 . . . . . 174 GLU H . 54060 1 287 . 1 . 1 65 65 GLU C C 13 175.6116049 0 . 1 . . . . . 174 GLU C . 54060 1 288 . 1 . 1 65 65 GLU CA C 13 57.3466043 0 . 1 . . . . . 174 GLU CA . 54060 1 289 . 1 . 1 65 65 GLU CB C 13 30.04283481 0 . 1 . . . . . 174 GLU CB . 54060 1 290 . 1 . 1 65 65 GLU N N 15 121.0644394 0.004476694536 . 1 . . . . . 174 GLU N . 54060 1 291 . 1 . 1 66 66 LEU H H 1 8.256450748 0.0005222826312 . 1 . . . . . 175 LEU H . 54060 1 292 . 1 . 1 66 66 LEU C C 13 174.7723352 0 . 1 . . . . . 175 LEU C . 54060 1 293 . 1 . 1 66 66 LEU CA C 13 55.46584113 0 . 1 . . . . . 175 LEU CA . 54060 1 294 . 1 . 1 66 66 LEU CB C 13 41.81224117 0 . 1 . . . . . 175 LEU CB . 54060 1 295 . 1 . 1 66 66 LEU N N 15 121.6951336 0.004129068612 . 1 . . . . . 175 LEU N . 54060 1 296 . 1 . 1 67 67 SER H H 1 8.23057655 0.001731779178 . 1 . . . . . 176 SER H . 54060 1 297 . 1 . 1 67 67 SER C C 13 177.0690496 0 . 1 . . . . . 176 SER C . 54060 1 298 . 1 . 1 67 67 SER CA C 13 59.06936649 0 . 1 . . . . . 176 SER CA . 54060 1 299 . 1 . 1 67 67 SER CB C 13 63.63123244 0 . 1 . . . . . 176 SER CB . 54060 1 300 . 1 . 1 67 67 SER N N 15 115.9211294 0.001528966879 . 1 . . . . . 176 SER N . 54060 1 301 . 1 . 1 68 68 GLY H H 1 8.472066065 0.0009938619884 . 1 . . . . . 177 GLY H . 54060 1 302 . 1 . 1 68 68 GLY C C 13 177.8252327 0 . 1 . . . . . 177 GLY C . 54060 1 303 . 1 . 1 68 68 GLY CA C 13 45.84017623 0 . 1 . . . . . 177 GLY CA . 54060 1 304 . 1 . 1 68 68 GLY N N 15 110.7830927 0.003440245767 . 1 . . . . . 177 GLY N . 54060 1 305 . 1 . 1 69 69 GLU H H 1 8.310349244 0.002390430967 . 1 . . . . . 178 GLU H . 54060 1 306 . 1 . 1 69 69 GLU C C 13 175.3594183 0 . 1 . . . . . 178 GLU C . 54060 1 307 . 1 . 1 69 69 GLU CA C 13 57.45083361 0 . 1 . . . . . 178 GLU CA . 54060 1 308 . 1 . 1 69 69 GLU CB C 13 30.01053575 0 . 1 . . . . . 178 GLU CB . 54060 1 309 . 1 . 1 69 69 GLU N N 15 121.0779902 0.007022371876 . 1 . . . . . 178 GLU N . 54060 1 310 . 1 . 1 70 70 ARG H H 1 8.31745251 0.001240174409 . 1 . . . . . 179 ARG H . 54060 1 311 . 1 . 1 70 70 ARG C C 13 175.5813416 0 . 1 . . . . . 179 ARG C . 54060 1 312 . 1 . 1 70 70 ARG CA C 13 57.20280475 0 . 1 . . . . . 179 ARG CA . 54060 1 313 . 1 . 1 70 70 ARG CB C 13 30.27205332 0 . 1 . . . . . 179 ARG CB . 54060 1 314 . 1 . 1 70 70 ARG N N 15 120.5923931 0.005822643212 . 1 . . . . . 179 ARG N . 54060 1 315 . 1 . 1 71 71 GLN H H 1 8.277859211 0.001795593872 . 1 . . . . . 180 GLN H . 54060 1 316 . 1 . 1 71 71 GLN C C 13 176.1977952 0 . 1 . . . . . 180 GLN C . 54060 1 317 . 1 . 1 71 71 GLN CA C 13 56.54174645 0 . 1 . . . . . 180 GLN CA . 54060 1 318 . 1 . 1 71 71 GLN CB C 13 29.12428177 0 . 1 . . . . . 180 GLN CB . 54060 1 319 . 1 . 1 71 71 GLN N N 15 119.8708444 0.003511185614 . 1 . . . . . 180 GLN N . 54060 1 320 . 1 . 1 76 76 LYS C C 13 175.9649702 0 . 1 . . . . . 185 LYS C . 54060 1 321 . 1 . 1 76 76 LYS CA C 13 56.87548279 0 . 1 . . . . . 185 LYS CA . 54060 1 322 . 1 . 1 76 76 LYS CB C 13 33.50334592 0 . 1 . . . . . 185 LYS CB . 54060 1 323 . 1 . 1 77 77 SER H H 1 8.561344657 0.005547522761 . 1 . . . . . 186 SER H . 54060 1 324 . 1 . 1 77 77 SER CA C 13 58.60234489 0 . 1 . . . . . 186 SER CA . 54060 1 325 . 1 . 1 77 77 SER CB C 13 63.87280127 0 . 1 . . . . . 186 SER CB . 54060 1 326 . 1 . 1 77 77 SER N N 15 117.1086112 0.003851044584 . 1 . . . . . 186 SER N . 54060 1 327 . 1 . 1 78 78 ASP H H 1 8.394846531 0.004085405862 . 1 . . . . . 187 ASP H . 54060 1 328 . 1 . 1 78 78 ASP C C 13 176.3254924 0 . 1 . . . . . 187 ASP C . 54060 1 329 . 1 . 1 78 78 ASP CA C 13 54.50756591 0 . 1 . . . . . 187 ASP CA . 54060 1 330 . 1 . 1 78 78 ASP CB C 13 41.13125048 0 . 1 . . . . . 187 ASP CB . 54060 1 331 . 1 . 1 78 78 ASP N N 15 122.5555053 0.006046636313 . 1 . . . . . 187 ASP N . 54060 1 332 . 1 . 1 79 79 SER H H 1 8.256183589 0.002756187664 . 1 . . . . . 188 SER H . 54060 1 333 . 1 . 1 79 79 SER C C 13 178.0358848 0 . 1 . . . . . 188 SER C . 54060 1 334 . 1 . 1 79 79 SER CA C 13 58.60340382 0 . 1 . . . . . 188 SER CA . 54060 1 335 . 1 . 1 79 79 SER CB C 13 63.75141214 0 . 1 . . . . . 188 SER CB . 54060 1 336 . 1 . 1 79 79 SER N N 15 115.6395915 0.003309362008 . 1 . . . . . 188 SER N . 54060 1 337 . 1 . 1 80 80 ILE H H 1 8.183502273 0.00192772595 . 1 . . . . . 189 ILE H . 54060 1 338 . 1 . 1 80 80 ILE C C 13 176.2716218 0 . 1 . . . . . 189 ILE C . 54060 1 339 . 1 . 1 80 80 ILE CA C 13 61.44145707 0 . 1 . . . . . 189 ILE CA . 54060 1 340 . 1 . 1 80 80 ILE CB C 13 38.78619397 0 . 1 . . . . . 189 ILE CB . 54060 1 341 . 1 . 1 80 80 ILE N N 15 122.5257023 0.0006754936513 . 1 . . . . . 189 ILE N . 54060 1 342 . 1 . 1 81 81 SER H H 1 8.405799649 0.002522473003 . 1 . . . . . 190 SER H . 54060 1 343 . 1 . 1 81 81 SER C C 13 178.2446334 0 . 1 . . . . . 190 SER C . 54060 1 344 . 1 . 1 81 81 SER CA C 13 58.29739756 0 . 1 . . . . . 190 SER CA . 54060 1 345 . 1 . 1 81 81 SER CB C 13 63.74113425 0 . 1 . . . . . 190 SER CB . 54060 1 346 . 1 . 1 81 81 SER N N 15 119.7589861 0.004892791483 . 1 . . . . . 190 SER N . 54060 1 347 . 1 . 1 82 82 LEU H H 1 8.326104668 0.0007295121343 . 1 . . . . . 191 LEU H . 54060 1 348 . 1 . 1 82 82 LEU C C 13 175.2851134 0.002853222704 . 1 . . . . . 191 LEU C . 54060 1 349 . 1 . 1 82 82 LEU CA C 13 55.15655751 0 . 1 . . . . . 191 LEU CA . 54060 1 350 . 1 . 1 82 82 LEU CB C 13 42.56942424 0 . 1 . . . . . 191 LEU CB . 54060 1 351 . 1 . 1 82 82 LEU N N 15 124.6403346 0.001396401966 . 1 . . . . . 191 LEU N . 54060 1 352 . 1 . 1 83 83 SER H H 1 8.378557251 0.002400610603 . 1 . . . . . 192 SER H . 54060 1 353 . 1 . 1 83 83 SER N N 15 116.7247056 0.05334870354 . 1 . . . . . 192 SER N . 54060 1 354 . 1 . 1 84 84 PHE C C 13 176.9604616 0 . 1 . . . . . 193 PHE C . 54060 1 355 . 1 . 1 85 85 ASP H H 1 8.322157077 0.001886762276 . 1 . . . . . 194 ASP H . 54060 1 356 . 1 . 1 85 85 ASP C C 13 175.7011889 0 . 1 . . . . . 194 ASP C . 54060 1 357 . 1 . 1 85 85 ASP CA C 13 54.69968204 0 . 1 . . . . . 194 ASP CA . 54060 1 358 . 1 . 1 85 85 ASP CB C 13 41.05317963 0 . 1 . . . . . 194 ASP CB . 54060 1 359 . 1 . 1 85 85 ASP N N 15 121.7260782 0.004896462814 . 1 . . . . . 194 ASP N . 54060 1 360 . 1 . 1 86 86 GLU H H 1 8.460120488 0.000053 . 1 . . . . . 195 GLU H . 54060 1 361 . 1 . 1 86 86 GLU C C 13 175.2526265 0 . 1 . . . . . 195 GLU C . 54060 1 362 . 1 . 1 86 86 GLU N N 15 122.839728 0.002877301635 . 1 . . . . . 195 GLU N . 54060 1 363 . 1 . 1 87 87 SER H H 1 8.43686352 0.001098557024 . 1 . . . . . 196 SER H . 54060 1 364 . 1 . 1 87 87 SER C C 13 177.1514478 0 . 1 . . . . . 196 SER C . 54060 1 365 . 1 . 1 87 87 SER CA C 13 59.96297821 0 . 1 . . . . . 196 SER CA . 54060 1 366 . 1 . 1 87 87 SER CB C 13 63.33441877 0 . 1 . . . . . 196 SER CB . 54060 1 367 . 1 . 1 87 87 SER N N 15 116.2593971 0.001586082818 . 1 . . . . . 196 SER N . 54060 1 368 . 1 . 1 88 88 LEU H H 1 7.933280277 0.001538069026 . 1 . . . . . 197 LEU H . 54060 1 369 . 1 . 1 88 88 LEU C C 13 174.8028121 0 . 1 . . . . . 197 LEU C . 54060 1 370 . 1 . 1 88 88 LEU CA C 13 55.86466217 0 . 1 . . . . . 197 LEU CA . 54060 1 371 . 1 . 1 88 88 LEU CB C 13 41.98574321 0 . 1 . . . . . 197 LEU CB . 54060 1 372 . 1 . 1 88 88 LEU N N 15 123.568275 0.009405000918 . 1 . . . . . 197 LEU N . 54060 1 373 . 1 . 1 89 89 ALA H H 1 7.990643495 0.00134069507 . 1 . . . . . 198 ALA H . 54060 1 374 . 1 . 1 89 89 ALA C C 13 174.3879635 0 . 1 . . . . . 198 ALA C . 54060 1 375 . 1 . 1 89 89 ALA CA C 13 53.19412882 0 . 1 . . . . . 198 ALA CA . 54060 1 376 . 1 . 1 89 89 ALA CB C 13 18.78649938 0 . 1 . . . . . 198 ALA CB . 54060 1 377 . 1 . 1 89 89 ALA N N 15 123.234232 0.0000023 . 1 . . . . . 198 ALA N . 54060 1 378 . 1 . 1 90 90 LEU H H 1 8.01712633 0 . 1 . . . . . 199 LEU H . 54060 1 379 . 1 . 1 90 90 LEU C C 13 174.8048695 0 . 1 . . . . . 199 LEU C . 54060 1 380 . 1 . 1 90 90 LEU CA C 13 55.6605711 0 . 1 . . . . . 199 LEU CA . 54060 1 381 . 1 . 1 90 90 LEU CB C 13 42.35726503 0 . 1 . . . . . 199 LEU CB . 54060 1 382 . 1 . 1 90 90 LEU N N 15 119.7828109 0 . 1 . . . . . 199 LEU N . 54060 1 383 . 1 . 1 91 91 SER H H 1 8.157506844 0.003167882419 . 1 . . . . . 200 SER H . 54060 1 384 . 1 . 1 91 91 SER C C 13 177.9667824 0 . 1 . . . . . 200 SER C . 54060 1 385 . 1 . 1 91 91 SER CA C 13 58.9579414 0 . 1 . . . . . 200 SER CA . 54060 1 386 . 1 . 1 91 91 SER CB C 13 63.49097173 0 . 1 . . . . . 200 SER CB . 54060 1 387 . 1 . 1 91 91 SER N N 15 115.9062368 0.01245578359 . 1 . . . . . 200 SER N . 54060 1 388 . 1 . 1 92 92 VAL H H 1 7.963180112 0.001233720329 . 1 . . . . . 201 VAL H . 54060 1 389 . 1 . 1 92 92 VAL C C 13 176.3875919 0 . 1 . . . . . 201 VAL C . 54060 1 390 . 1 . 1 92 92 VAL CA C 13 62.78013664 0 . 1 . . . . . 201 VAL CA . 54060 1 391 . 1 . 1 92 92 VAL CB C 13 32.69524918 0 . 1 . . . . . 201 VAL CB . 54060 1 392 . 1 . 1 92 92 VAL N N 15 121.701255 0.01034243523 . 1 . . . . . 201 VAL N . 54060 1 393 . 1 . 1 93 93 ILE H H 1 8.138360105 0.001256076866 . 1 . . . . . 202 ILE H . 54060 1 394 . 1 . 1 93 93 ILE C C 13 176.2453225 0 . 1 . . . . . 202 ILE C . 54060 1 395 . 1 . 1 93 93 ILE CA C 13 61.45684869 0 . 1 . . . . . 202 ILE CA . 54060 1 396 . 1 . 1 93 93 ILE CB C 13 38.23235086 0 . 1 . . . . . 202 ILE CB . 54060 1 397 . 1 . 1 93 93 ILE N N 15 124.3310986 0.003153873203 . 1 . . . . . 202 ILE N . 54060 1 398 . 1 . 1 94 94 ARG H H 1 8.391583296 0.001004378866 . 1 . . . . . 203 ARG H . 54060 1 399 . 1 . 1 94 94 ARG C C 13 176.494294 0 . 1 . . . . . 203 ARG C . 54060 1 400 . 1 . 1 94 94 ARG CA C 13 56.17611376 0 . 1 . . . . . 203 ARG CA . 54060 1 401 . 1 . 1 94 94 ARG CB C 13 30.86056484 0 . 1 . . . . . 203 ARG CB . 54060 1 402 . 1 . 1 94 94 ARG N N 15 125.4048228 0.004919429475 . 1 . . . . . 203 ARG N . 54060 1 403 . 1 . 1 95 95 GLU H H 1 8.306590546 0.002066779756 . 1 . . . . . 204 GLU H . 54060 1 404 . 1 . 1 95 95 GLU C C 13 176.1096747 0 . 1 . . . . . 204 GLU C . 54060 1 405 . 1 . 1 95 95 GLU CA C 13 56.65467504 0 . 1 . . . . . 204 GLU CA . 54060 1 406 . 1 . 1 95 95 GLU CB C 13 30.34310748 0 . 1 . . . . . 204 GLU CB . 54060 1 407 . 1 . 1 95 95 GLU N N 15 121.9987652 0.008623663167 . 1 . . . . . 204 GLU N . 54060 1 408 . 1 . 1 96 96 ILE H H 1 8.346987631 0.001119873632 . 1 . . . . . 205 ILE H . 54060 1 409 . 1 . 1 96 96 ILE C C 13 176.124324 0 . 1 . . . . . 205 ILE C . 54060 1 410 . 1 . 1 96 96 ILE CA C 13 61.44354375 0 . 1 . . . . . 205 ILE CA . 54060 1 411 . 1 . 1 96 96 ILE CB C 13 38.736388 0 . 1 . . . . . 205 ILE CB . 54060 1 412 . 1 . 1 96 96 ILE N N 15 122.5014873 0.00395630408 . 1 . . . . . 205 ILE N . 54060 1 413 . 1 . 1 97 97 SER H H 1 8.471393369 0.0008396107871 . 1 . . . . . 206 SER H . 54060 1 414 . 1 . 1 97 97 SER C C 13 177.8588068 0 . 1 . . . . . 206 SER C . 54060 1 415 . 1 . 1 97 97 SER CA C 13 58.48063103 0 . 1 . . . . . 206 SER CA . 54060 1 416 . 1 . 1 97 97 SER CB C 13 63.83760184 0 . 1 . . . . . 206 SER CB . 54060 1 417 . 1 . 1 97 97 SER N N 15 119.8439002 0.01143795246 . 1 . . . . . 206 SER N . 54060 1 418 . 1 . 1 98 98 SER H H 1 8.424024789 0.001211666565 . 1 . . . . . 207 SER H . 54060 1 419 . 1 . 1 98 98 SER C C 13 177.9819051 0 . 1 . . . . . 207 SER C . 54060 1 420 . 1 . 1 98 98 SER CA C 13 58.74366884 0 . 1 . . . . . 207 SER CA . 54060 1 421 . 1 . 1 98 98 SER CB C 13 63.77957894 0 . 1 . . . . . 207 SER CB . 54060 1 422 . 1 . 1 98 98 SER N N 15 118.0247289 0.009095716076 . 1 . . . . . 207 SER N . 54060 1 423 . 1 . 1 99 99 GLU H H 1 8.431305613 0.001835298932 . 1 . . . . . 208 GLU H . 54060 1 424 . 1 . 1 99 99 GLU C C 13 176.0658525 0 . 1 . . . . . 208 GLU C . 54060 1 425 . 1 . 1 99 99 GLU CA C 13 56.81333126 0 . 1 . . . . . 208 GLU CA . 54060 1 426 . 1 . 1 99 99 GLU CB C 13 30.24716921 0 . 1 . . . . . 208 GLU CB . 54060 1 427 . 1 . 1 99 99 GLU N N 15 122.71239 0.01061735326 . 1 . . . . . 208 GLU N . 54060 1 428 . 1 . 1 100 100 ARG H H 1 8.372552941 0.001068120051 . 1 . . . . . 209 ARG H . 54060 1 429 . 1 . 1 100 100 ARG C C 13 176.1626883 0 . 1 . . . . . 209 ARG C . 54060 1 430 . 1 . 1 100 100 ARG CA C 13 56.1393803 0 . 1 . . . . . 209 ARG CA . 54060 1 431 . 1 . 1 100 100 ARG CB C 13 30.72873977 0 . 1 . . . . . 209 ARG CB . 54060 1 432 . 1 . 1 100 100 ARG N N 15 121.9808736 0.006824614016 . 1 . . . . . 209 ARG N . 54060 1 433 . 1 . 1 101 101 SER H H 1 8.463309523 0.00194026428 . 1 . . . . . 210 SER H . 54060 1 434 . 1 . 1 101 101 SER CA C 13 58.44247799 0 . 1 . . . . . 210 SER CA . 54060 1 435 . 1 . 1 101 101 SER CB C 13 63.86448519 0 . 1 . . . . . 210 SER CB . 54060 1 436 . 1 . 1 101 101 SER N N 15 117.3721756 0.003592350514 . 1 . . . . . 210 SER N . 54060 1 437 . 1 . 1 105 105 GLU C C 13 175.9756729 0 . 1 . . . . . 214 GLU C . 54060 1 438 . 1 . 1 105 105 GLU CA C 13 56.72906792 0 . 1 . . . . . 214 GLU CA . 54060 1 439 . 1 . 1 105 105 GLU CB C 13 30.36827122 0 . 1 . . . . . 214 GLU CB . 54060 1 440 . 1 . 1 106 106 SER H H 1 8.425237035 0.001742607087 . 1 . . . . . 215 SER H . 54060 1 441 . 1 . 1 106 106 SER C C 13 177.6695826 0 . 1 . . . . . 215 SER C . 54060 1 442 . 1 . 1 106 106 SER CA C 13 58.39457284 0 . 1 . . . . . 215 SER CA . 54060 1 443 . 1 . 1 106 106 SER CB C 13 63.76766564 0 . 1 . . . . . 215 SER CB . 54060 1 444 . 1 . 1 106 106 SER N N 15 116.7881341 0.00601228148 . 1 . . . . . 215 SER N . 54060 1 445 . 1 . 1 107 107 THR H H 1 8.279957748 0.001048138491 . 1 . . . . . 216 THR H . 54060 1 446 . 1 . 1 107 107 THR C C 13 177.5084753 0 . 1 . . . . . 216 THR C . 54060 1 447 . 1 . 1 107 107 THR CA C 13 62.02243497 0 . 1 . . . . . 216 THR CA . 54060 1 448 . 1 . 1 107 107 THR CB C 13 69.78489605 0 . 1 . . . . . 216 THR CB . 54060 1 449 . 1 . 1 107 107 THR N N 15 115.6112815 0 . 1 . . . . . 216 THR N . 54060 1 450 . 1 . 1 108 108 GLY H H 1 8.432335696 0.000947192254 . 1 . . . . . 217 GLY H . 54060 1 451 . 1 . 1 108 108 GLY C C 13 178.7973337 0 . 1 . . . . . 217 GLY C . 54060 1 452 . 1 . 1 108 108 GLY CA C 13 45.16561516 0 . 1 . . . . . 217 GLY CA . 54060 1 453 . 1 . 1 108 108 GLY N N 15 111.1290078 0.003856438669 . 1 . . . . . 217 GLY N . 54060 1 454 . 1 . 1 109 109 THR H H 1 8.196154049 0.001343082929 . 1 . . . . . 218 THR H . 54060 1 455 . 1 . 1 109 109 THR C C 13 179.7453977 0 . 1 . . . . . 218 THR C . 54060 1 456 . 1 . 1 109 109 THR CA C 13 59.8388276 0 . 1 . . . . . 218 THR CA . 54060 1 457 . 1 . 1 109 109 THR CB C 13 69.84268543 0 . 1 . . . . . 218 THR CB . 54060 1 458 . 1 . 1 109 109 THR N N 15 116.8103859 0.0034924629 . 1 . . . . . 218 THR N . 54060 1 459 . 1 . 1 110 110 PRO C C 13 175.7566951 0 . 1 . . . . . 219 PRO C . 54060 1 460 . 1 . 1 110 110 PRO CA C 13 63.31253102 0 . 1 . . . . . 219 PRO CA . 54060 1 461 . 1 . 1 110 110 PRO CB C 13 32.18719546 0 . 1 . . . . . 219 PRO CB . 54060 1 462 . 1 . 1 111 111 SER H H 1 8.504609799 0.006204360207 . 1 . . . . . 220 SER H . 54060 1 463 . 1 . 1 111 111 SER C C 13 178.7471127 0 . 1 . . . . . 220 SER C . 54060 1 464 . 1 . 1 111 111 SER CA C 13 58.39302958 0 . 1 . . . . . 220 SER CA . 54060 1 465 . 1 . 1 111 111 SER CB C 13 63.76807329 0 . 1 . . . . . 220 SER CB . 54060 1 466 . 1 . 1 111 111 SER N N 15 116.5625795 0.004066912786 . 1 . . . . . 220 SER N . 54060 1 467 . 1 . 1 112 112 ASN H H 1 8.52117646 0.001665528189 . 1 . . . . . 221 ASN H . 54060 1 468 . 1 . 1 112 112 ASN C C 13 179.1158538 0 . 1 . . . . . 221 ASN C . 54060 1 469 . 1 . 1 112 112 ASN CA C 13 56.12165687 0 . 1 . . . . . 221 ASN CA . 54060 1 470 . 1 . 1 112 112 ASN CB C 13 38.94566809 0 . 1 . . . . . 221 ASN CB . 54060 1 471 . 1 . 1 112 112 ASN N N 15 121.3146745 0.001487580316 . 1 . . . . . 221 ASN N . 54060 1 472 . 1 . 1 113 113 PRO C C 13 175.9336853 0 . 1 . . . . . 222 PRO C . 54060 1 473 . 1 . 1 113 113 PRO CA C 13 63.66293603 0 . 1 . . . . . 222 PRO CA . 54060 1 474 . 1 . 1 113 113 PRO CB C 13 32.2046243 0 . 1 . . . . . 222 PRO CB . 54060 1 475 . 1 . 1 114 114 ASP H H 1 8.309710044 0.001240144552 . 1 . . . . . 223 ASP H . 54060 1 476 . 1 . 1 114 114 ASP C C 13 176.1273027 0 . 1 . . . . . 223 ASP C . 54060 1 477 . 1 . 1 114 114 ASP CA C 13 54.63886388 0 . 1 . . . . . 223 ASP CA . 54060 1 478 . 1 . 1 114 114 ASP CB C 13 40.82224607 0 . 1 . . . . . 223 ASP CB . 54060 1 479 . 1 . 1 114 114 ASP N N 15 119.4999936 0.004174769203 . 1 . . . . . 223 ASP N . 54060 1 480 . 1 . 1 115 115 LEU H H 1 8.008074851 0.001181945305 . 1 . . . . . 224 LEU H . 54060 1 481 . 1 . 1 115 115 LEU C C 13 175.3033031 0 . 1 . . . . . 224 LEU C . 54060 1 482 . 1 . 1 115 115 LEU CB C 13 42.25307216 0 . 1 . . . . . 224 LEU CB . 54060 1 483 . 1 . 1 115 115 LEU N N 15 122.1693554 0.00145486635 . 1 . . . . . 224 LEU N . 54060 1 484 . 1 . 1 116 116 ASP H H 1 8.288139048 0.001232762578 . 1 . . . . . 225 ASP H . 54060 1 485 . 1 . 1 116 116 ASP C C 13 176.4872698 0 . 1 . . . . . 225 ASP C . 54060 1 486 . 1 . 1 116 116 ASP CA C 13 54.50601921 0 . 1 . . . . . 225 ASP CA . 54060 1 487 . 1 . 1 116 116 ASP CB C 13 41.15939475 0 . 1 . . . . . 225 ASP CB . 54060 1 488 . 1 . 1 116 116 ASP N N 15 120.978833 0.00000539 . 1 . . . . . 225 ASP N . 54060 1 489 . 1 . 1 117 117 ALA H H 1 8.207426453 0.001071219783 . 1 . . . . . 226 ALA H . 54060 1 490 . 1 . 1 117 117 ALA C C 13 174.2444384 0 . 1 . . . . . 226 ALA C . 54060 1 491 . 1 . 1 117 117 ALA CA C 13 52.96006918 0 . 1 . . . . . 226 ALA CA . 54060 1 492 . 1 . 1 117 117 ALA CB C 13 19.10909375 0 . 1 . . . . . 226 ALA CB . 54060 1 493 . 1 . 1 117 117 ALA N N 15 124.6697354 0.004958726428 . 1 . . . . . 226 ALA N . 54060 1 494 . 1 . 1 118 118 GLY H H 1 8.438841338 0.002021985182 . 1 . . . . . 227 GLY H . 54060 1 495 . 1 . 1 118 118 GLY C C 13 178.3377071 0 . 1 . . . . . 227 GLY C . 54060 1 496 . 1 . 1 118 118 GLY CA C 13 45.43435855 0 . 1 . . . . . 227 GLY CA . 54060 1 497 . 1 . 1 118 118 GLY N N 15 107.8597004 0.002890113438 . 1 . . . . . 227 GLY N . 54060 1 498 . 1 . 1 119 119 VAL H H 1 7.962495695 0.001017580886 . 1 . . . . . 228 VAL H . 54060 1 499 . 1 . 1 119 119 VAL C C 13 176.2303675 0 . 1 . . . . . 228 VAL C . 54060 1 500 . 1 . 1 119 119 VAL CA C 13 62.35693934 0 . 1 . . . . . 228 VAL CA . 54060 1 501 . 1 . 1 119 119 VAL CB C 13 32.76686 0 . 1 . . . . . 228 VAL CB . 54060 1 502 . 1 . 1 119 119 VAL N N 15 119.2184662 0.005592133139 . 1 . . . . . 228 VAL N . 54060 1 503 . 1 . 1 120 120 SER H H 1 8.454982677 0.0006922001212 . 1 . . . . . 229 SER H . 54060 1 504 . 1 . 1 120 120 SER C C 13 178.0934324 0 . 1 . . . . . 229 SER C . 54060 1 505 . 1 . 1 120 120 SER CA C 13 58.33510615 0 . 1 . . . . . 229 SER CA . 54060 1 506 . 1 . 1 120 120 SER CB C 13 63.86918163 0 . 1 . . . . . 229 SER CB . 54060 1 507 . 1 . 1 120 120 SER N N 15 119.5007868 0.03186170186 . 1 . . . . . 229 SER N . 54060 1 508 . 1 . 1 121 121 GLU H H 1 8.485742899 0.002503125582 . 1 . . . . . 230 GLU H . 54060 1 509 . 1 . 1 121 121 GLU C C 13 176.4815439 0.01372988482 . 1 . . . . . 230 GLU C . 54060 1 510 . 1 . 1 121 121 GLU CA C 13 56.8236906 0 . 1 . . . . . 230 GLU CA . 54060 1 511 . 1 . 1 121 121 GLU CB C 13 30.17501763 0 . 1 . . . . . 230 GLU CB . 54060 1 512 . 1 . 1 121 121 GLU N N 15 123.0951753 0.01005207564 . 1 . . . . . 230 GLU N . 54060 1 513 . 1 . 1 122 122 HIS H H 1 8.419700603 0.001013768106 . 1 . . . . . 231 HIS H . 54060 1 514 . 1 . 1 122 122 HIS C C 13 177.8462945 0 . 1 . . . . . 231 HIS C . 54060 1 515 . 1 . 1 122 122 HIS CA C 13 55.38954295 0 . 1 . . . . . 231 HIS CA . 54060 1 516 . 1 . 1 122 122 HIS CB C 13 29.80585379 0 . 1 . . . . . 231 HIS CB . 54060 1 517 . 1 . 1 122 122 HIS N N 15 119.4857016 0.00195662178 . 1 . . . . . 231 HIS N . 54060 1 518 . 1 . 1 123 123 SER H H 1 8.371949857 0.002047644232 . 1 . . . . . 232 SER H . 54060 1 519 . 1 . 1 123 123 SER C C 13 177.6423868 0 . 1 . . . . . 232 SER C . 54060 1 520 . 1 . 1 123 123 SER CA C 13 58.60790269 0 . 1 . . . . . 232 SER CA . 54060 1 521 . 1 . 1 123 123 SER CB C 13 63.90264088 0 . 1 . . . . . 232 SER CB . 54060 1 522 . 1 . 1 123 123 SER N N 15 117.6692072 0.006376644315 . 1 . . . . . 232 SER N . 54060 1 523 . 1 . 1 124 124 GLY H H 1 8.51646939 0.001275870768 . 1 . . . . . 233 GLY H . 54060 1 524 . 1 . 1 124 124 GLY C C 13 178.6787758 0 . 1 . . . . . 233 GLY C . 54060 1 525 . 1 . 1 124 124 GLY CA C 13 45.48796752 0 . 1 . . . . . 233 GLY CA . 54060 1 526 . 1 . 1 124 124 GLY N N 15 110.8436117 0.008230472574 . 1 . . . . . 233 GLY N . 54060 1 527 . 1 . 1 125 125 ASP H H 1 8.223036299 0.001028711113 . 1 . . . . . 234 ASP H . 54060 1 528 . 1 . 1 125 125 ASP C C 13 176.5373214 0 . 1 . . . . . 234 ASP C . 54060 1 529 . 1 . 1 125 125 ASP CA C 13 54.43182729 0 . 1 . . . . . 234 ASP CA . 54060 1 530 . 1 . 1 125 125 ASP CB C 13 40.97217673 0 . 1 . . . . . 234 ASP CB . 54060 1 531 . 1 . 1 125 125 ASP N N 15 120.5143973 0.008230472353 . 1 . . . . . 234 ASP N . 54060 1 532 . 1 . 1 126 126 TRP H H 1 8.05099949 0.0005782387136 . 1 . . . . . 235 TRP H . 54060 1 533 . 1 . 1 126 126 TRP C C 13 176.6621876 0 . 1 . . . . . 235 TRP C . 54060 1 534 . 1 . 1 126 126 TRP CA C 13 57.59263554 0 . 1 . . . . . 235 TRP CA . 54060 1 535 . 1 . 1 126 126 TRP CB C 13 29.30297101 0 . 1 . . . . . 235 TRP CB . 54060 1 536 . 1 . 1 126 126 TRP N N 15 121.3265727 0.005338490283 . 1 . . . . . 235 TRP N . 54060 1 537 . 1 . 1 127 127 LEU H H 1 7.906953813 0.0006578657126 . 1 . . . . . 236 LEU H . 54060 1 538 . 1 . 1 127 127 LEU C C 13 176.0884276 0 . 1 . . . . . 236 LEU C . 54060 1 539 . 1 . 1 127 127 LEU CA C 13 54.96129363 0 . 1 . . . . . 236 LEU CA . 54060 1 540 . 1 . 1 127 127 LEU CB C 13 42.60289273 0 . 1 . . . . . 236 LEU CB . 54060 1 541 . 1 . 1 127 127 LEU N N 15 124.0598263 0.005285644724 . 1 . . . . . 236 LEU N . 54060 1 542 . 1 . 1 128 128 ASP H H 1 8.160485037 0.001968360058 . 1 . . . . . 237 ASP H . 54060 1 543 . 1 . 1 128 128 ASP C C 13 176.2694835 0 . 1 . . . . . 237 ASP C . 54060 1 544 . 1 . 1 128 128 ASP CA C 13 54.27259394 0 . 1 . . . . . 237 ASP CA . 54060 1 545 . 1 . 1 128 128 ASP CB C 13 40.93013294 0 . 1 . . . . . 237 ASP CB . 54060 1 546 . 1 . 1 128 128 ASP N N 15 121.3019729 0.005665846614 . 1 . . . . . 237 ASP N . 54060 1 547 . 1 . 1 129 129 GLN H H 1 8.318124371 0.0008264489109 . 1 . . . . . 238 GLN H . 54060 1 548 . 1 . 1 129 129 GLN C C 13 176.6628119 0 . 1 . . . . . 238 GLN C . 54060 1 549 . 1 . 1 129 129 GLN CA C 13 56.19623794 0 . 1 . . . . . 238 GLN CA . 54060 1 550 . 1 . 1 129 129 GLN CB C 13 29.43517919 0 . 1 . . . . . 238 GLN CB . 54060 1 551 . 1 . 1 129 129 GLN N N 15 120.9085216 0 . 1 . . . . . 238 GLN N . 54060 1 552 . 1 . 1 130 130 ASP H H 1 8.449791078 0.001522976366 . 1 . . . . . 239 ASP H . 54060 1 553 . 1 . 1 130 130 ASP C C 13 176.2430123 0 . 1 . . . . . 239 ASP C . 54060 1 554 . 1 . 1 130 130 ASP CA C 13 54.80064469 0 . 1 . . . . . 239 ASP CA . 54060 1 555 . 1 . 1 130 130 ASP CB C 13 41.13928609 0 . 1 . . . . . 239 ASP CB . 54060 1 556 . 1 . 1 130 130 ASP N N 15 121.0635789 0.006145860736 . 1 . . . . . 239 ASP N . 54060 1 557 . 1 . 1 131 131 SER H H 1 8.175057766 0.00203390589 . 1 . . . . . 240 SER H . 54060 1 558 . 1 . 1 131 131 SER C C 13 177.999044 0 . 1 . . . . . 240 SER C . 54060 1 559 . 1 . 1 131 131 SER CA C 13 58.54087701 0 . 1 . . . . . 240 SER CA . 54060 1 560 . 1 . 1 131 131 SER CB C 13 63.78312368 0 . 1 . . . . . 240 SER CB . 54060 1 561 . 1 . 1 131 131 SER N N 15 115.9031321 0.01052912947 . 1 . . . . . 240 SER N . 54060 1 562 . 1 . 1 132 132 VAL H H 1 8.153357966 0.001619810119 . 1 . . . . . 241 VAL H . 54060 1 563 . 1 . 1 132 132 VAL C C 13 176.2546416 0 . 1 . . . . . 241 VAL C . 54060 1 564 . 1 . 1 132 132 VAL CA C 13 62.41934213 0 . 1 . . . . . 241 VAL CA . 54060 1 565 . 1 . 1 132 132 VAL CB C 13 32.6756473 0 . 1 . . . . . 241 VAL CB . 54060 1 566 . 1 . 1 132 132 VAL N N 15 121.5594601 0.00513355665 . 1 . . . . . 241 VAL N . 54060 1 567 . 1 . 1 133 133 SER H H 1 8.393116498 0.001671634594 . 1 . . . . . 242 SER H . 54060 1 568 . 1 . 1 133 133 SER C C 13 178.1676696 0 . 1 . . . . . 242 SER C . 54060 1 569 . 1 . 1 133 133 SER CA C 13 58.44334969 0 . 1 . . . . . 242 SER CA . 54060 1 570 . 1 . 1 133 133 SER CB C 13 63.86432076 0 . 1 . . . . . 242 SER CB . 54060 1 571 . 1 . 1 133 133 SER N N 15 119.2626213 0.003024977663 . 1 . . . . . 242 SER N . 54060 1 572 . 1 . 1 134 134 ASP H H 1 8.396518042 0.001617335417 . 1 . . . . . 243 ASP H . 54060 1 573 . 1 . 1 134 134 ASP C C 13 176.3127884 0 . 1 . . . . . 243 ASP C . 54060 1 574 . 1 . 1 134 134 ASP CA C 13 54.47396485 0 . 1 . . . . . 243 ASP CA . 54060 1 575 . 1 . 1 134 134 ASP CB C 13 41.03994196 0 . 1 . . . . . 243 ASP CB . 54060 1 576 . 1 . 1 134 134 ASP N N 15 122.7634976 0.004537465943 . 1 . . . . . 243 ASP N . 54060 1 577 . 1 . 1 135 135 GLN H H 1 8.264974227 0.00129604748 . 1 . . . . . 244 GLN H . 54060 1 578 . 1 . 1 135 135 GLN C C 13 176.9465879 0 . 1 . . . . . 244 GLN C . 54060 1 579 . 1 . 1 135 135 GLN CA C 13 56.12014074 0 . 1 . . . . . 244 GLN CA . 54060 1 580 . 1 . 1 135 135 GLN CB C 13 29.19019705 0 . 1 . . . . . 244 GLN CB . 54060 1 581 . 1 . 1 135 135 GLN N N 15 120.0536249 0.002566777174 . 1 . . . . . 244 GLN N . 54060 1 582 . 1 . 1 136 136 PHE H H 1 8.215415717 0.0009226270101 . 1 . . . . . 245 PHE H . 54060 1 583 . 1 . 1 136 136 PHE C C 13 176.9872906 0 . 1 . . . . . 245 PHE C . 54060 1 584 . 1 . 1 136 136 PHE CA C 13 57.67714526 0 . 1 . . . . . 245 PHE CA . 54060 1 585 . 1 . 1 136 136 PHE CB C 13 39.48649212 0 . 1 . . . . . 245 PHE CB . 54060 1 586 . 1 . 1 136 136 PHE N N 15 120.5678361 0.006049954574 . 1 . . . . . 245 PHE N . 54060 1 587 . 1 . 1 137 137 SER H H 1 8.14884116 0.000967706584 . 1 . . . . . 246 SER H . 54060 1 588 . 1 . 1 137 137 SER C C 13 178.3886272 0 . 1 . . . . . 246 SER C . 54060 1 589 . 1 . 1 137 137 SER CA C 13 58.15263505 0 . 1 . . . . . 246 SER CA . 54060 1 590 . 1 . 1 137 137 SER CB C 13 63.88637407 0 . 1 . . . . . 246 SER CB . 54060 1 591 . 1 . 1 137 137 SER N N 15 117.5539437 0.006266548724 . 1 . . . . . 246 SER N . 54060 1 592 . 1 . 1 138 138 VAL H H 1 8.190375891 0.001579866493 . 1 . . . . . 247 VAL H . 54060 1 593 . 1 . 1 138 138 VAL C C 13 176.6645762 0 . 1 . . . . . 247 VAL C . 54060 1 594 . 1 . 1 138 138 VAL CA C 13 62.23162487 0 . 1 . . . . . 247 VAL CA . 54060 1 595 . 1 . 1 138 138 VAL CB C 13 32.72383111 0 . 1 . . . . . 247 VAL CB . 54060 1 596 . 1 . 1 138 138 VAL N N 15 121.759156 0.003553204933 . 1 . . . . . 247 VAL N . 54060 1 597 . 1 . 1 139 139 GLU H H 1 8.407202535 0.001271487987 . 1 . . . . . 248 GLU H . 54060 1 598 . 1 . 1 139 139 GLU C C 13 176.6936495 0 . 1 . . . . . 248 GLU C . 54060 1 599 . 1 . 1 139 139 GLU CA C 13 56.53173075 0 . 1 . . . . . 248 GLU CA . 54060 1 600 . 1 . 1 139 139 GLU CB C 13 30.32700969 0 . 1 . . . . . 248 GLU CB . 54060 1 601 . 1 . 1 139 139 GLU N N 15 124.149088 0.001049351213 . 1 . . . . . 248 GLU N . 54060 1 602 . 1 . 1 140 140 PHE H H 1 8.172701476 0.000702600237 . 1 . . . . . 249 PHE H . 54060 1 603 . 1 . 1 140 140 PHE C C 13 177.3401735 0 . 1 . . . . . 249 PHE C . 54060 1 604 . 1 . 1 140 140 PHE CA C 13 57.48875227 0 . 1 . . . . . 249 PHE CA . 54060 1 605 . 1 . 1 140 140 PHE CB C 13 39.84594474 0 . 1 . . . . . 249 PHE CB . 54060 1 606 . 1 . 1 140 140 PHE N N 15 120.9919157 0.004718684147 . 1 . . . . . 249 PHE N . 54060 1 607 . 1 . 1 141 141 GLU H H 1 8.353265061 0.00169690213 . 1 . . . . . 250 GLU H . 54060 1 608 . 1 . 1 141 141 GLU C C 13 176.6665215 0 . 1 . . . . . 250 GLU C . 54060 1 609 . 1 . 1 141 141 GLU CA C 13 56.21266292 0 . 1 . . . . . 250 GLU CA . 54060 1 610 . 1 . 1 141 141 GLU CB C 13 30.52790264 0 . 1 . . . . . 250 GLU CB . 54060 1 611 . 1 . 1 141 141 GLU N N 15 123.1988323 0.004842742027 . 1 . . . . . 250 GLU N . 54060 1 612 . 1 . 1 142 142 VAL H H 1 8.280147362 0.0007628872507 . 1 . . . . . 251 VAL H . 54060 1 613 . 1 . 1 142 142 VAL C C 13 176.4775704 0 . 1 . . . . . 251 VAL C . 54060 1 614 . 1 . 1 142 142 VAL CA C 13 62.30827938 0 . 1 . . . . . 251 VAL CA . 54060 1 615 . 1 . 1 142 142 VAL CB C 13 32.88219799 0 . 1 . . . . . 251 VAL CB . 54060 1 616 . 1 . 1 142 142 VAL N N 15 122.086881 0.005807429486 . 1 . . . . . 251 VAL N . 54060 1 617 . 1 . 1 143 143 GLU H H 1 8.601358393 0.001067733344 . 1 . . . . . 252 GLU H . 54060 1 618 . 1 . 1 143 143 GLU C C 13 176.3214803 0 . 1 . . . . . 252 GLU C . 54060 1 619 . 1 . 1 143 143 GLU CA C 13 56.63427523 0 . 1 . . . . . 252 GLU CA . 54060 1 620 . 1 . 1 143 143 GLU CB C 13 30.43248537 0 . 1 . . . . . 252 GLU CB . 54060 1 621 . 1 . 1 143 143 GLU N N 15 125.2993794 0.01025157307 . 1 . . . . . 252 GLU N . 54060 1 622 . 1 . 1 144 144 SER H H 1 8.477695166 0.0005674016315 . 1 . . . . . 253 SER H . 54060 1 623 . 1 . 1 144 144 SER C C 13 178.1942595 0 . 1 . . . . . 253 SER C . 54060 1 624 . 1 . 1 144 144 SER CA C 13 58.04616512 0 . 1 . . . . . 253 SER CA . 54060 1 625 . 1 . 1 144 144 SER CB C 13 63.82947461 0 . 1 . . . . . 253 SER CB . 54060 1 626 . 1 . 1 144 144 SER N N 15 117.830884 0.0406033575 . 1 . . . . . 253 SER N . 54060 1 627 . 1 . 1 145 145 LEU H H 1 8.448723138 0.0007525209789 . 1 . . . . . 254 LEU H . 54060 1 628 . 1 . 1 145 145 LEU C C 13 175.4754479 0 . 1 . . . . . 254 LEU C . 54060 1 629 . 1 . 1 145 145 LEU CA C 13 55.11309552 0 . 1 . . . . . 254 LEU CA . 54060 1 630 . 1 . 1 145 145 LEU CB C 13 42.35027515 0 . 1 . . . . . 254 LEU CB . 54060 1 631 . 1 . 1 145 145 LEU N N 15 125.0266102 0 . 1 . . . . . 254 LEU N . 54060 1 632 . 1 . 1 146 146 ASP H H 1 8.4189817 0.00185329172 . 1 . . . . . 255 ASP H . 54060 1 633 . 1 . 1 146 146 ASP C C 13 176.3594331 0 . 1 . . . . . 255 ASP C . 54060 1 634 . 1 . 1 146 146 ASP CA C 13 54.39736309 0 . 1 . . . . . 255 ASP CA . 54060 1 635 . 1 . 1 146 146 ASP CB C 13 41.20419852 0 . 1 . . . . . 255 ASP CB . 54060 1 636 . 1 . 1 146 146 ASP N N 15 121.5431518 0.003691523363 . 1 . . . . . 255 ASP N . 54060 1 637 . 1 . 1 147 147 SER H H 1 8.27620839 0.0005061952803 . 1 . . . . . 256 SER H . 54060 1 638 . 1 . 1 147 147 SER C C 13 177.9491207 0 . 1 . . . . . 256 SER C . 54060 1 639 . 1 . 1 147 147 SER CA C 13 58.47240833 0 . 1 . . . . . 256 SER CA . 54060 1 640 . 1 . 1 147 147 SER CB C 13 63.89062068 0 . 1 . . . . . 256 SER CB . 54060 1 641 . 1 . 1 147 147 SER N N 15 116.3586715 0 . 1 . . . . . 256 SER N . 54060 1 642 . 1 . 1 148 148 GLU H H 1 8.470558304 0 . 1 . . . . . 257 GLU H . 54060 1 643 . 1 . 1 148 148 GLU C C 13 176.8337708 0 . 1 . . . . . 257 GLU C . 54060 1 644 . 1 . 1 148 148 GLU CA C 13 56.54460609 0 . 1 . . . . . 257 GLU CA . 54060 1 645 . 1 . 1 148 148 GLU CB C 13 30.1687703 0 . 1 . . . . . 257 GLU CB . 54060 1 646 . 1 . 1 148 148 GLU N N 15 122.8001022 0 . 1 . . . . . 257 GLU N . 54060 1 647 . 1 . 1 149 149 ASP H H 1 8.285603744 0.00192100897 . 1 . . . . . 258 ASP H . 54060 1 648 . 1 . 1 149 149 ASP C C 13 176.4867541 0 . 1 . . . . . 258 ASP C . 54060 1 649 . 1 . 1 149 149 ASP CA C 13 54.07959896 0 . 1 . . . . . 258 ASP CA . 54060 1 650 . 1 . 1 149 149 ASP CB C 13 41.09407322 0 . 1 . . . . . 258 ASP CB . 54060 1 651 . 1 . 1 149 149 ASP N N 15 121.1051628 0.006833389592 . 1 . . . . . 258 ASP N . 54060 1 652 . 1 . 1 150 150 TYR H H 1 8.228989486 0.0004601309951 . 1 . . . . . 259 TYR H . 54060 1 653 . 1 . 1 150 150 TYR C C 13 176.559098 0 . 1 . . . . . 259 TYR C . 54060 1 654 . 1 . 1 150 150 TYR CA C 13 58.10226121 0 . 1 . . . . . 259 TYR CA . 54060 1 655 . 1 . 1 150 150 TYR CB C 13 38.4679326 0 . 1 . . . . . 259 TYR CB . 54060 1 656 . 1 . 1 150 150 TYR N N 15 122.2862242 0.00283201324 . 1 . . . . . 259 TYR N . 54060 1 657 . 1 . 1 151 151 SER H H 1 8.32492503 0.001318111459 . 1 . . . . . 260 SER H . 54060 1 658 . 1 . 1 151 151 SER C C 13 178.2086049 0 . 1 . . . . . 260 SER C . 54060 1 659 . 1 . 1 151 151 SER CA C 13 58.83568115 0 . 1 . . . . . 260 SER CA . 54060 1 660 . 1 . 1 151 151 SER CB C 13 63.80801973 0 . 1 . . . . . 260 SER CB . 54060 1 661 . 1 . 1 151 151 SER N N 15 117.7427032 0 . 1 . . . . . 260 SER N . 54060 1 662 . 1 . 1 152 152 LEU H H 1 8.170438656 0.00108599774 . 1 . . . . . 261 LEU H . 54060 1 663 . 1 . 1 152 152 LEU C C 13 175.1356656 0 . 1 . . . . . 261 LEU C . 54060 1 664 . 1 . 1 152 152 LEU CA C 13 55.20475728 0 . 1 . . . . . 261 LEU CA . 54060 1 665 . 1 . 1 152 152 LEU CB C 13 42.33063152 0 . 1 . . . . . 261 LEU CB . 54060 1 666 . 1 . 1 152 152 LEU N N 15 123.8886727 0 . 1 . . . . . 261 LEU N . 54060 1 667 . 1 . 1 153 153 SER H H 1 8.276410927 0.0008373593731 . 1 . . . . . 262 SER H . 54060 1 668 . 1 . 1 153 153 SER C C 13 177.9657841 0 . 1 . . . . . 262 SER C . 54060 1 669 . 1 . 1 153 153 SER CA C 13 58.38239008 0 . 1 . . . . . 262 SER CA . 54060 1 670 . 1 . 1 153 153 SER CB C 13 63.90081083 0 . 1 . . . . . 262 SER CB . 54060 1 671 . 1 . 1 153 153 SER N N 15 116.7078802 0.004470507225 . 1 . . . . . 262 SER N . 54060 1 672 . 1 . 1 154 154 GLU H H 1 8.528658105 0.001117201783 . 1 . . . . . 263 GLU H . 54060 1 673 . 1 . 1 154 154 GLU C C 13 176.0016752 0 . 1 . . . . . 263 GLU C . 54060 1 674 . 1 . 1 154 154 GLU CA C 13 56.63832351 0 . 1 . . . . . 263 GLU CA . 54060 1 675 . 1 . 1 154 154 GLU CB C 13 30.27292691 0 . 1 . . . . . 263 GLU CB . 54060 1 676 . 1 . 1 154 154 GLU N N 15 123.1634031 0.003270126842 . 1 . . . . . 263 GLU N . 54060 1 677 . 1 . 1 155 155 GLU H H 1 8.476855185 0.0004290997286 . 1 . . . . . 264 GLU H . 54060 1 678 . 1 . 1 155 155 GLU C C 13 175.4804196 0 . 1 . . . . . 264 GLU C . 54060 1 679 . 1 . 1 155 155 GLU CA C 13 56.96155254 0 . 1 . . . . . 264 GLU CA . 54060 1 680 . 1 . 1 155 155 GLU CB C 13 30.1759571 0 . 1 . . . . . 264 GLU CB . 54060 1 681 . 1 . 1 155 155 GLU N N 15 121.9138802 0.02194491268 . 1 . . . . . 264 GLU N . 54060 1 682 . 1 . 1 156 156 GLY H H 1 8.555320981 0.001385949333 . 1 . . . . . 265 GLY H . 54060 1 683 . 1 . 1 156 156 GLY C C 13 178.470974 0 . 1 . . . . . 265 GLY C . 54060 1 684 . 1 . 1 156 156 GLY CA C 13 45.45729435 0 . 1 . . . . . 265 GLY CA . 54060 1 685 . 1 . 1 156 156 GLY N N 15 110.4077564 0.002312247446 . 1 . . . . . 265 GLY N . 54060 1 686 . 1 . 1 157 157 GLN H H 1 8.222147783 0.0006115298404 . 1 . . . . . 266 GLN H . 54060 1 687 . 1 . 1 157 157 GLN C C 13 176.7572855 0 . 1 . . . . . 266 GLN C . 54060 1 688 . 1 . 1 157 157 GLN CA C 13 55.64331153 0 . 1 . . . . . 266 GLN CA . 54060 1 689 . 1 . 1 157 157 GLN CB C 13 29.73139473 0 . 1 . . . . . 266 GLN CB . 54060 1 690 . 1 . 1 157 157 GLN N N 15 119.7540288 0.006081552477 . 1 . . . . . 266 GLN N . 54060 1 691 . 1 . 1 158 158 GLU H H 1 8.643467383 0.0007516148353 . 1 . . . . . 267 GLU H . 54060 1 692 . 1 . 1 158 158 GLU C C 13 176.3070223 0 . 1 . . . . . 267 GLU C . 54060 1 693 . 1 . 1 158 158 GLU CA C 13 56.51592395 0 . 1 . . . . . 267 GLU CA . 54060 1 694 . 1 . 1 158 158 GLU CB C 13 30.11999392 0 . 1 . . . . . 267 GLU CB . 54060 1 695 . 1 . 1 158 158 GLU N N 15 122.6886781 0 . 1 . . . . . 267 GLU N . 54060 1 696 . 1 . 1 159 159 LEU H H 1 8.441872596 0.0008330627051 . 1 . . . . . 268 LEU H . 54060 1 697 . 1 . 1 159 159 LEU C C 13 175.3473567 0 . 1 . . . . . 268 LEU C . 54060 1 698 . 1 . 1 159 159 LEU CA C 13 54.93752521 0 . 1 . . . . . 268 LEU CA . 54060 1 699 . 1 . 1 159 159 LEU CB C 13 42.39769275 0 . 1 . . . . . 268 LEU CB . 54060 1 700 . 1 . 1 159 159 LEU N N 15 124.1971391 0.004441338187 . 1 . . . . . 268 LEU N . 54060 1 701 . 1 . 1 160 160 SER H H 1 8.494387888 0.0007436229904 . 1 . . . . . 269 SER H . 54060 1 702 . 1 . 1 160 160 SER C C 13 178.3243092 0 . 1 . . . . . 269 SER C . 54060 1 703 . 1 . 1 160 160 SER CA C 13 57.9656657 0 . 1 . . . . . 269 SER CA . 54060 1 704 . 1 . 1 160 160 SER CB C 13 64.10464184 0 . 1 . . . . . 269 SER CB . 54060 1 705 . 1 . 1 160 160 SER N N 15 117.3953454 0.003310378704 . 1 . . . . . 269 SER N . 54060 1 706 . 1 . 1 161 161 ASP H H 1 8.533024032 0.0005723576291 . 1 . . . . . 270 ASP H . 54060 1 707 . 1 . 1 161 161 ASP C C 13 176.2436897 0 . 1 . . . . . 270 ASP C . 54060 1 708 . 1 . 1 161 161 ASP CA C 13 54.47399711 0 . 1 . . . . . 270 ASP CA . 54060 1 709 . 1 . 1 161 161 ASP CB C 13 41.19721224 0 . 1 . . . . . 270 ASP CB . 54060 1 710 . 1 . 1 161 161 ASP N N 15 123.3332236 0.003505704712 . 1 . . . . . 270 ASP N . 54060 1 711 . 1 . 1 162 162 GLU H H 1 8.409429936 0.0008840732427 . 1 . . . . . 271 GLU H . 54060 1 712 . 1 . 1 162 162 GLU C C 13 176.3017268 0 . 1 . . . . . 271 GLU C . 54060 1 713 . 1 . 1 162 162 GLU CA C 13 56.70353507 0 . 1 . . . . . 271 GLU CA . 54060 1 714 . 1 . 1 162 162 GLU CB C 13 30.32286919 0 . 1 . . . . . 271 GLU CB . 54060 1 715 . 1 . 1 162 162 GLU N N 15 120.8813459 0.003482183459 . 1 . . . . . 271 GLU N . 54060 1 716 . 1 . 1 163 163 ASP H H 1 8.393324945 0.002853905298 . 1 . . . . . 272 ASP H . 54060 1 717 . 1 . 1 163 163 ASP C C 13 176.5608893 0 . 1 . . . . . 272 ASP C . 54060 1 718 . 1 . 1 163 163 ASP CA C 13 54.48320526 0 . 1 . . . . . 272 ASP CA . 54060 1 719 . 1 . 1 163 163 ASP CB C 13 41.23703541 0 . 1 . . . . . 272 ASP CB . 54060 1 720 . 1 . 1 163 163 ASP N N 15 121.4865549 0.005135080765 . 1 . . . . . 272 ASP N . 54060 1 721 . 1 . 1 164 164 ASP H H 1 8.311084658 0.001409003602 . 1 . . . . . 273 ASP H . 54060 1 722 . 1 . 1 164 164 ASP C C 13 176.1667463 0 . 1 . . . . . 273 ASP C . 54060 1 723 . 1 . 1 164 164 ASP CA C 13 54.59741301 0 . 1 . . . . . 273 ASP CA . 54060 1 724 . 1 . 1 164 164 ASP CB C 13 41.28763823 0 . 1 . . . . . 273 ASP CB . 54060 1 725 . 1 . 1 164 164 ASP N N 15 121.3891886 0.0060889247 . 1 . . . . . 273 ASP N . 54060 1 726 . 1 . 1 165 165 GLU H H 1 8.385380717 0.001347692668 . 1 . . . . . 274 GLU H . 54060 1 727 . 1 . 1 165 165 GLU C C 13 176.1557523 0 . 1 . . . . . 274 GLU C . 54060 1 728 . 1 . 1 165 165 GLU CA C 13 56.9068964 0 . 1 . . . . . 274 GLU CA . 54060 1 729 . 1 . 1 165 165 GLU CB C 13 30.24646791 0 . 1 . . . . . 274 GLU CB . 54060 1 730 . 1 . 1 165 165 GLU N N 15 121.4765181 0.01551247728 . 1 . . . . . 274 GLU N . 54060 1 731 . 1 . 1 166 166 VAL H H 1 8.13614013 0.0016124445 . 1 . . . . . 275 VAL H . 54060 1 732 . 1 . 1 166 166 VAL C C 13 176.6187262 0 . 1 . . . . . 275 VAL C . 54060 1 733 . 1 . 1 166 166 VAL CA C 13 62.64771903 0 . 1 . . . . . 275 VAL CA . 54060 1 734 . 1 . 1 166 166 VAL CB C 13 32.69721804 0 . 1 . . . . . 275 VAL CB . 54060 1 735 . 1 . 1 166 166 VAL N N 15 121.3182138 0.009459670481 . 1 . . . . . 275 VAL N . 54060 1 736 . 1 . 1 167 167 TYR H H 1 8.274189946 0.0009102259788 . 1 . . . . . 276 TYR H . 54060 1 737 . 1 . 1 167 167 TYR C C 13 177.1254974 0 . 1 . . . . . 276 TYR C . 54060 1 738 . 1 . 1 167 167 TYR CA C 13 58.02994512 0 . 1 . . . . . 276 TYR CA . 54060 1 739 . 1 . 1 167 167 TYR CB C 13 38.78111616 0 . 1 . . . . . 276 TYR CB . 54060 1 740 . 1 . 1 167 167 TYR N N 15 124.3737403 0.02442343122 . 1 . . . . . 276 TYR N . 54060 1 741 . 1 . 1 168 168 GLN H H 1 8.219282832 0.000391584335 . 1 . . . . . 277 GLN H . 54060 1 742 . 1 . 1 168 168 GLN C C 13 177.3206496 0 . 1 . . . . . 277 GLN C . 54060 1 743 . 1 . 1 168 168 GLN CA C 13 55.40035385 0 . 1 . . . . . 277 GLN CA . 54060 1 744 . 1 . 1 168 168 GLN CB C 13 29.75121569 0 . 1 . . . . . 277 GLN CB . 54060 1 745 . 1 . 1 168 168 GLN N N 15 122.8980373 0.001621721983 . 1 . . . . . 277 GLN N . 54060 1 746 . 1 . 1 169 169 VAL H H 1 8.213416943 0.001411484327 . 1 . . . . . 278 VAL H . 54060 1 747 . 1 . 1 169 169 VAL C C 13 176.3631907 0 . 1 . . . . . 278 VAL C . 54060 1 748 . 1 . 1 169 169 VAL CA C 13 62.47048455 0 . 1 . . . . . 278 VAL CA . 54060 1 749 . 1 . 1 169 169 VAL CB C 13 32.82570092 0 . 1 . . . . . 278 VAL CB . 54060 1 750 . 1 . 1 169 169 VAL N N 15 122.2060927 0.008178028792 . 1 . . . . . 278 VAL N . 54060 1 751 . 1 . 1 170 170 THR H H 1 8.338529775 0.001927338341 . 1 . . . . . 279 THR H . 54060 1 752 . 1 . 1 170 170 THR C C 13 178.6040835 0 . 1 . . . . . 279 THR C . 54060 1 753 . 1 . 1 170 170 THR CA C 13 62.1949092 0 . 1 . . . . . 279 THR CA . 54060 1 754 . 1 . 1 170 170 THR CB C 13 69.86726032 0 . 1 . . . . . 279 THR CB . 54060 1 755 . 1 . 1 170 170 THR N N 15 119.8823525 0.01074803546 . 1 . . . . . 279 THR N . 54060 1 756 . 1 . 1 171 171 VAL H H 1 8.237287477 0.001935159694 . 1 . . . . . 280 VAL H . 54060 1 757 . 1 . 1 171 171 VAL C C 13 177.0850719 0 . 1 . . . . . 280 VAL C . 54060 1 758 . 1 . 1 171 171 VAL CA C 13 62.14513977 0 . 1 . . . . . 280 VAL CA . 54060 1 759 . 1 . 1 171 171 VAL CB C 13 32.89486706 0 . 1 . . . . . 280 VAL CB . 54060 1 760 . 1 . 1 171 171 VAL N N 15 123.8849833 0.004270835976 . 1 . . . . . 280 VAL N . 54060 1 761 . 1 . 1 172 172 TYR H H 1 8.406463261 0.001692725314 . 1 . . . . . 281 TYR H . 54060 1 762 . 1 . 1 172 172 TYR C C 13 177.1994836 0 . 1 . . . . . 281 TYR C . 54060 1 763 . 1 . 1 172 172 TYR CA C 13 58.09806214 0 . 1 . . . . . 281 TYR CA . 54060 1 764 . 1 . 1 172 172 TYR CB C 13 39.00704653 0 . 1 . . . . . 281 TYR CB . 54060 1 765 . 1 . 1 172 172 TYR N N 15 125.3743074 0.01281250871 . 1 . . . . . 281 TYR N . 54060 1 766 . 1 . 1 173 173 GLN H H 1 8.315005791 0.001417241126 . 1 . . . . . 282 GLN H . 54060 1 767 . 1 . 1 173 173 GLN C C 13 177.705815 0 . 1 . . . . . 282 GLN C . 54060 1 768 . 1 . 1 173 173 GLN CA C 13 55.11541234 0 . 1 . . . . . 282 GLN CA . 54060 1 769 . 1 . 1 173 173 GLN CB C 13 29.74446749 0 . 1 . . . . . 282 GLN CB . 54060 1 770 . 1 . 1 173 173 GLN N N 15 124.0033402 0.008178028903 . 1 . . . . . 282 GLN N . 54060 1 771 . 1 . 1 174 174 ALA H H 1 8.392406241 0.001048046807 . 1 . . . . . 283 ALA H . 54060 1 772 . 1 . 1 174 174 ALA C C 13 174.4184395 0 . 1 . . . . . 283 ALA C . 54060 1 773 . 1 . 1 174 174 ALA CA C 13 52.80548218 0 . 1 . . . . . 283 ALA CA . 54060 1 774 . 1 . 1 174 174 ALA CB C 13 19.12965883 0 . 1 . . . . . 283 ALA CB . 54060 1 775 . 1 . 1 174 174 ALA N N 15 126.3351358 0.004428493253 . 1 . . . . . 283 ALA N . 54060 1 776 . 1 . 1 175 175 GLY H H 1 8.467505476 0.001827111848 . 1 . . . . . 284 GLY H . 54060 1 777 . 1 . 1 175 175 GLY C C 13 178.4161903 0 . 1 . . . . . 284 GLY C . 54060 1 778 . 1 . 1 175 175 GLY CA C 13 45.1667983 0 . 1 . . . . . 284 GLY CA . 54060 1 779 . 1 . 1 175 175 GLY N N 15 108.7357692 0.003549806914 . 1 . . . . . 284 GLY N . 54060 1 780 . 1 . 1 176 176 GLU H H 1 8.344607468 0.0008953907981 . 1 . . . . . 285 GLU H . 54060 1 781 . 1 . 1 176 176 GLU C C 13 175.9742062 0 . 1 . . . . . 285 GLU C . 54060 1 782 . 1 . 1 176 176 GLU CA C 13 56.59725796 0.001754503905 . 1 . . . . . 285 GLU CA . 54060 1 783 . 1 . 1 176 176 GLU CB C 13 30.48069684 0 . 1 . . . . . 285 GLU CB . 54060 1 784 . 1 . 1 176 176 GLU N N 15 120.6312784 0.005740209362 . 1 . . . . . 285 GLU N . 54060 1 785 . 1 . 1 177 177 SER H H 1 8.473537292 0.001831355806 . 1 . . . . . 286 SER H . 54060 1 786 . 1 . 1 177 177 SER C C 13 178.3995546 0 . 1 . . . . . 286 SER C . 54060 1 787 . 1 . 1 177 177 SER CA C 13 58.22780849 0 . 1 . . . . . 286 SER CA . 54060 1 788 . 1 . 1 177 177 SER CB C 13 63.9880289 0 . 1 . . . . . 286 SER CB . 54060 1 789 . 1 . 1 177 177 SER N N 15 116.4365997 0.002611562894 . 1 . . . . . 286 SER N . 54060 1 790 . 1 . 1 178 178 ASP H H 1 8.483116953 0.001078132888 . 1 . . . . . 287 ASP H . 54060 1 791 . 1 . 1 178 178 ASP C C 13 176.1162065 0.001173557375 . 1 . . . . . 287 ASP C . 54060 1 792 . 1 . 1 178 178 ASP CA C 13 54.47620451 0 . 1 . . . . . 287 ASP CA . 54060 1 793 . 1 . 1 178 178 ASP CB C 13 41.01734342 0 . 1 . . . . . 287 ASP CB . 54060 1 794 . 1 . 1 178 178 ASP N N 15 122.8046144 0.02588231059 . 1 . . . . . 287 ASP N . 54060 1 795 . 1 . 1 179 179 THR H H 1 8.156463603 0.001158589265 . 1 . . . . . 288 THR H . 54060 1 796 . 1 . 1 179 179 THR C C 13 178.1593668 0 . 1 . . . . . 288 THR C . 54060 1 797 . 1 . 1 179 179 THR CA C 13 61.96271848 0 . 1 . . . . . 288 THR CA . 54060 1 798 . 1 . 1 179 179 THR CB C 13 69.82724641 0 . 1 . . . . . 288 THR CB . 54060 1 799 . 1 . 1 179 179 THR N N 15 113.8084625 0.009373722441 . 1 . . . . . 288 THR N . 54060 1 800 . 1 . 1 180 180 ASP H H 1 8.374195542 0.0006212970883 . 1 . . . . . 289 ASP H . 54060 1 801 . 1 . 1 180 180 ASP C C 13 176.5255998 0 . 1 . . . . . 289 ASP C . 54060 1 802 . 1 . 1 180 180 ASP CA C 13 54.58677944 0 . 1 . . . . . 289 ASP CA . 54060 1 803 . 1 . 1 180 180 ASP CB C 13 41.21333918 0 . 1 . . . . . 289 ASP CB . 54060 1 804 . 1 . 1 180 180 ASP N N 15 123.0187615 0.009384815747 . 1 . . . . . 289 ASP N . 54060 1 805 . 1 . 1 181 181 SER H H 1 8.187206913 0.0005631259719 . 1 . . . . . 290 SER H . 54060 1 806 . 1 . 1 181 181 SER C C 13 178.6381487 0 . 1 . . . . . 290 SER C . 54060 1 807 . 1 . 1 181 181 SER CA C 13 58.17128241 0 . 1 . . . . . 290 SER CA . 54060 1 808 . 1 . 1 181 181 SER CB C 13 63.78986401 0 . 1 . . . . . 290 SER CB . 54060 1 809 . 1 . 1 181 181 SER N N 15 115.9551718 0.003591091505 . 1 . . . . . 290 SER N . 54060 1 810 . 1 . 1 182 182 PHE H H 1 8.300325754 0.001963679457 . 1 . . . . . 291 PHE H . 54060 1 811 . 1 . 1 182 182 PHE C C 13 177.2516361 0 . 1 . . . . . 291 PHE C . 54060 1 812 . 1 . 1 182 182 PHE CA C 13 57.69852189 0 . 1 . . . . . 291 PHE CA . 54060 1 813 . 1 . 1 182 182 PHE CB C 13 39.67388146 0 . 1 . . . . . 291 PHE CB . 54060 1 814 . 1 . 1 182 182 PHE N N 15 122.4964086 0.003047141816 . 1 . . . . . 291 PHE N . 54060 1 815 . 1 . 1 183 183 GLU H H 1 8.281294228 0.0003787973796 . 1 . . . . . 292 GLU H . 54060 1 816 . 1 . 1 183 183 GLU C C 13 176.9319634 0 . 1 . . . . . 292 GLU C . 54060 1 817 . 1 . 1 183 183 GLU CA C 13 56.07669309 0 . 1 . . . . . 292 GLU CA . 54060 1 818 . 1 . 1 183 183 GLU CB C 13 30.75480301 0 . 1 . . . . . 292 GLU CB . 54060 1 819 . 1 . 1 183 183 GLU N N 15 123.1366893 0.003298627807 . 1 . . . . . 292 GLU N . 54060 1 820 . 1 . 1 184 184 GLU H H 1 8.40133087 0 . 1 . . . . . 293 GLU H . 54060 1 821 . 1 . 1 184 184 GLU C C 13 176.7908742 0 . 1 . . . . . 293 GLU C . 54060 1 822 . 1 . 1 184 184 GLU CA C 13 56.15667653 0 . 1 . . . . . 293 GLU CA . 54060 1 823 . 1 . 1 184 184 GLU CB C 13 30.7563683 0 . 1 . . . . . 293 GLU CB . 54060 1 824 . 1 . 1 184 184 GLU N N 15 122.5592976 0 . 1 . . . . . 293 GLU N . 54060 1 825 . 1 . 1 185 185 ASP H H 1 8.614115161 0.001009468382 . 1 . . . . . 294 ASP H . 54060 1 826 . 1 . 1 185 185 ASP C C 13 177.9230798 0 . 1 . . . . . 294 ASP C . 54060 1 827 . 1 . 1 185 185 ASP CA C 13 52.33740245 0 . 1 . . . . . 294 ASP CA . 54060 1 828 . 1 . 1 185 185 ASP CB C 13 41.00458493 0 . 1 . . . . . 294 ASP CB . 54060 1 829 . 1 . 1 185 185 ASP N N 15 123.7763482 0.006558504044 . 1 . . . . . 294 ASP N . 54060 1 830 . 1 . 1 186 186 PRO C C 13 175.4824019 0 . 1 . . . . . 295 PRO C . 54060 1 831 . 1 . 1 186 186 PRO CA C 13 63.34683455 0 . 1 . . . . . 295 PRO CA . 54060 1 832 . 1 . 1 186 186 PRO CB C 13 32.26811617 0 . 1 . . . . . 295 PRO CB . 54060 1 833 . 1 . 1 187 187 GLU H H 1 8.543074213 0.001187345068 . 1 . . . . . 296 GLU H . 54060 1 834 . 1 . 1 187 187 GLU C C 13 175.8273727 0 . 1 . . . . . 296 GLU C . 54060 1 835 . 1 . 1 187 187 GLU CA C 13 56.87770207 0 . 1 . . . . . 296 GLU CA . 54060 1 836 . 1 . 1 187 187 GLU CB C 13 29.94435656 0 . 1 . . . . . 296 GLU CB . 54060 1 837 . 1 . 1 187 187 GLU N N 15 120.1989677 0.003930249798 . 1 . . . . . 296 GLU N . 54060 1 838 . 1 . 1 188 188 ILE H H 1 8.022593636 0.001129029564 . 1 . . . . . 297 ILE H . 54060 1 839 . 1 . 1 188 188 ILE C C 13 176.3586277 0 . 1 . . . . . 297 ILE C . 54060 1 840 . 1 . 1 188 188 ILE CA C 13 61.23040929 0 . 1 . . . . . 297 ILE CA . 54060 1 841 . 1 . 1 188 188 ILE CB C 13 38.82426077 0 . 1 . . . . . 297 ILE CB . 54060 1 842 . 1 . 1 188 188 ILE N N 15 121.6112483 0.01024883701 . 1 . . . . . 297 ILE N . 54060 1 843 . 1 . 1 189 189 SER H H 1 8.497411262 0.001872754901 . 1 . . . . . 298 SER H . 54060 1 844 . 1 . 1 189 189 SER C C 13 177.4008197 0 . 1 . . . . . 298 SER C . 54060 1 845 . 1 . 1 189 189 SER CA C 13 58.02687201 0 . 1 . . . . . 298 SER CA . 54060 1 846 . 1 . 1 189 189 SER CB C 13 63.83838369 0 . 1 . . . . . 298 SER CB . 54060 1 847 . 1 . 1 189 189 SER N N 15 119.6347585 0.004971416307 . 1 . . . . . 298 SER N . 54060 1 848 . 1 . 1 190 190 LEU H H 1 8.356707114 0.002415241587 . 1 . . . . . 299 LEU H . 54060 1 849 . 1 . 1 190 190 LEU C C 13 174.5575573 0 . 1 . . . . . 299 LEU C . 54060 1 850 . 1 . 1 190 190 LEU CA C 13 55.20624573 0 . 1 . . . . . 299 LEU CA . 54060 1 851 . 1 . 1 190 190 LEU CB C 13 41.18824392 0 . 1 . . . . . 299 LEU CB . 54060 1 852 . 1 . 1 190 190 LEU N N 15 125.1478041 0.01399080527 . 1 . . . . . 299 LEU N . 54060 1 853 . 1 . 1 191 191 ALA H H 1 7.97124182 0.001399395651 . 1 . . . . . 300 ALA H . 54060 1 854 . 1 . 1 191 191 ALA C C 13 174.8118977 0.01338204269 . 1 . . . . . 300 ALA C . 54060 1 855 . 1 . 1 191 191 ALA CA C 13 54.037155 0 . 1 . . . . . 300 ALA CA . 54060 1 856 . 1 . 1 191 191 ALA CB C 13 18.81870248 0 . 1 . . . . . 300 ALA CB . 54060 1 857 . 1 . 1 191 191 ALA N N 15 122.9444564 0.0000019 . 1 . . . . . 300 ALA N . 54060 1 858 . 1 . 1 192 192 ASP H H 1 8.366241446 0.005469298569 . 1 . . . . . 301 ASP H . 54060 1 859 . 1 . 1 192 192 ASP C C 13 176.7507399 0 . 1 . . . . . 301 ASP C . 54060 1 860 . 1 . 1 192 192 ASP CA C 13 54.6750555 0 . 1 . . . . . 301 ASP CA . 54060 1 861 . 1 . 1 192 192 ASP N N 15 115.7858443 0.008461851016 . 1 . . . . . 301 ASP N . 54060 1 862 . 1 . 1 193 193 TYR H H 1 7.88544956 0.001165892284 . 1 . . . . . 302 TYR H . 54060 1 863 . 1 . 1 193 193 TYR C C 13 176.8719185 0 . 1 . . . . . 302 TYR C . 54060 1 864 . 1 . 1 193 193 TYR CA C 13 58.70906217 0 . 1 . . . . . 302 TYR CA . 54060 1 865 . 1 . 1 193 193 TYR CB C 13 38.9093822 0 . 1 . . . . . 302 TYR CB . 54060 1 866 . 1 . 1 193 193 TYR N N 15 122.0378747 0.01052130202 . 1 . . . . . 302 TYR N . 54060 1 867 . 1 . 1 194 194 TRP H H 1 9.232042373 0.0007644930682 . 1 . . . . . 303 TRP H . 54060 1 868 . 1 . 1 194 194 TRP C C 13 179.0440115 0 . 1 . . . . . 303 TRP C . 54060 1 869 . 1 . 1 194 194 TRP CA C 13 53.71312213 0 . 1 . . . . . 303 TRP CA . 54060 1 870 . 1 . 1 194 194 TRP N N 15 119.261029 0.005727071304 . 1 . . . . . 303 TRP N . 54060 1 871 . 1 . 1 195 195 LYS H H 1 8.8900295 0.003534081196 . 1 . . . . . 304 LYS H . 54060 1 872 . 1 . 1 195 195 LYS C C 13 176.2163202 0 . 1 . . . . . 304 LYS C . 54060 1 873 . 1 . 1 195 195 LYS CA C 13 55.16299512 0 . 1 . . . . . 304 LYS CA . 54060 1 874 . 1 . 1 195 195 LYS CB C 13 34.3539797 0 . 1 . . . . . 304 LYS CB . 54060 1 875 . 1 . 1 195 195 LYS N N 15 123.9416156 0.005951747165 . 1 . . . . . 304 LYS N . 54060 1 876 . 1 . 1 196 196 CYS C C 13 174.5947531 0 . 1 . . . . . 305 CYS C . 54060 1 877 . 1 . 1 196 196 CYS CA C 13 59.76371901 0 . 1 . . . . . 305 CYS CA . 54060 1 878 . 1 . 1 197 197 THR H H 1 8.824216708 0.003088971505 . 1 . . . . . 306 THR H . 54060 1 879 . 1 . 1 197 197 THR C C 13 177.2616279 0 . 1 . . . . . 306 THR C . 54060 1 880 . 1 . 1 197 197 THR CA C 13 63.77927613 0 . 1 . . . . . 306 THR CA . 54060 1 881 . 1 . 1 197 197 THR CB C 13 68.83546811 0 . 1 . . . . . 306 THR CB . 54060 1 882 . 1 . 1 197 197 THR N N 15 122.1747485 0.005152234299 . 1 . . . . . 306 THR N . 54060 1 883 . 1 . 1 198 198 SER H H 1 9.299183595 0.002425727304 . 1 . . . . . 307 SER H . 54060 1 884 . 1 . 1 198 198 SER C C 13 177.1402249 0 . 1 . . . . . 307 SER C . 54060 1 885 . 1 . 1 198 198 SER CA C 13 61.10955046 0 . 1 . . . . . 307 SER CA . 54060 1 886 . 1 . 1 198 198 SER CB C 13 63.83754242 0 . 1 . . . . . 307 SER CB . 54060 1 887 . 1 . 1 198 198 SER N N 15 120.8601293 0.005464769362 . 1 . . . . . 307 SER N . 54060 1 888 . 1 . 1 199 199 CYS H H 1 8.778907934 0.002009854551 . 1 . . . . . 308 CYS H . 54060 1 889 . 1 . 1 199 199 CYS C C 13 176.1233552 0 . 1 . . . . . 308 CYS C . 54060 1 890 . 1 . 1 199 199 CYS CA C 13 59.08066773 0 . 1 . . . . . 308 CYS CA . 54060 1 891 . 1 . 1 199 199 CYS CB C 13 32.66356039 0 . 1 . . . . . 308 CYS CB . 54060 1 892 . 1 . 1 199 199 CYS N N 15 121.0525895 0.006182680964 . 1 . . . . . 308 CYS N . 54060 1 893 . 1 . 1 200 200 ASN H H 1 7.813536011 0.0019001458 . 1 . . . . . 309 ASN H . 54060 1 894 . 1 . 1 200 200 ASN C C 13 179.3074658 0 . 1 . . . . . 309 ASN C . 54060 1 895 . 1 . 1 200 200 ASN CA C 13 56.08109555 0 . 1 . . . . . 309 ASN CA . 54060 1 896 . 1 . 1 200 200 ASN CB C 13 37.69083945 0 . 1 . . . . . 309 ASN CB . 54060 1 897 . 1 . 1 200 200 ASN N N 15 117.077181 0.0000019 . 1 . . . . . 309 ASN N . 54060 1 898 . 1 . 1 201 201 GLU H H 1 8.642920516 0.00203680974 . 1 . . . . . 310 GLU H . 54060 1 899 . 1 . 1 201 201 GLU CA C 13 57.20310749 0 . 1 . . . . . 310 GLU CA . 54060 1 900 . 1 . 1 201 201 GLU N N 15 124.0377548 0 . 1 . . . . . 310 GLU N . 54060 1 901 . 1 . 1 203 203 ASN H H 1 9.221142882 0.0003313485195 . 1 . . . . . 312 ASN H . 54060 1 902 . 1 . 1 203 203 ASN CA C 13 51.21271637 0 . 1 . . . . . 312 ASN CA . 54060 1 903 . 1 . 1 203 203 ASN N N 15 124.6726801 0 . 1 . . . . . 312 ASN N . 54060 1 904 . 1 . 1 205 205 PRO C C 13 174.1000438 0 . 1 . . . . . 314 PRO C . 54060 1 905 . 1 . 1 205 205 PRO CA C 13 65.15754289 0 . 1 . . . . . 314 PRO CA . 54060 1 906 . 1 . 1 206 206 LEU H H 1 8.063271232 0.001926771121 . 1 . . . . . 315 LEU H . 54060 1 907 . 1 . 1 206 206 LEU C C 13 177.6190162 0 . 1 . . . . . 315 LEU C . 54060 1 908 . 1 . 1 206 206 LEU CA C 13 58.72687419 0 . 1 . . . . . 315 LEU CA . 54060 1 909 . 1 . 1 206 206 LEU CB C 13 40.14477737 0 . 1 . . . . . 315 LEU CB . 54060 1 910 . 1 . 1 206 206 LEU N N 15 117.6902077 0.01060698217 . 1 . . . . . 315 LEU N . 54060 1 911 . 1 . 1 207 207 PRO C C 13 176.1811968 0 . 1 . . . . . 316 PRO C . 54060 1 912 . 1 . 1 208 208 SER H H 1 8.412425632 0.002463693882 . 1 . . . . . 317 SER H . 54060 1 913 . 1 . 1 208 208 SER C C 13 179.7663606 0 . 1 . . . . . 317 SER C . 54060 1 914 . 1 . 1 208 208 SER N N 15 114.1673288 0 . 1 . . . . . 317 SER N . 54060 1 915 . 1 . 1 209 209 HIS H H 1 7.531578546 0.002716568396 . 1 . . . . . 318 HIS H . 54060 1 916 . 1 . 1 209 209 HIS C C 13 179.0466623 0 . 1 . . . . . 318 HIS C . 54060 1 917 . 1 . 1 209 209 HIS CA C 13 54.1140635 0 . 1 . . . . . 318 HIS CA . 54060 1 918 . 1 . 1 209 209 HIS CB C 13 31.44191615 0 . 1 . . . . . 318 HIS CB . 54060 1 919 . 1 . 1 209 209 HIS N N 15 116.9302702 0.0000019 . 1 . . . . . 318 HIS N . 54060 1 920 . 1 . 1 210 210 CYS H H 1 8.999931159 0.00285497514 . 1 . . . . . 319 CYS H . 54060 1 921 . 1 . 1 210 210 CYS C C 13 175.3415488 0 . 1 . . . . . 319 CYS C . 54060 1 922 . 1 . 1 210 210 CYS CA C 13 58.88384527 0 . 1 . . . . . 319 CYS CA . 54060 1 923 . 1 . 1 210 210 CYS N N 15 124.2080738 0.007717713095 . 1 . . . . . 319 CYS N . 54060 1 924 . 1 . 1 211 211 ASN H H 1 9.041088738 0.001380028265 . 1 . . . . . 320 ASN H . 54060 1 925 . 1 . 1 211 211 ASN C C 13 177.7405432 0 . 1 . . . . . 320 ASN C . 54060 1 926 . 1 . 1 211 211 ASN CA C 13 55.08990053 0 . 1 . . . . . 320 ASN CA . 54060 1 927 . 1 . 1 211 211 ASN N N 15 127.8546933 0.01279837961 . 1 . . . . . 320 ASN N . 54060 1 928 . 1 . 1 212 212 ARG H H 1 9.352952235 0.002874215209 . 1 . . . . . 321 ARG H . 54060 1 929 . 1 . 1 212 212 ARG C C 13 175.8480032 0 . 1 . . . . . 321 ARG C . 54060 1 930 . 1 . 1 212 212 ARG CA C 13 57.58751083 0 . 1 . . . . . 321 ARG CA . 54060 1 931 . 1 . 1 212 212 ARG N N 15 122.2554923 0 . 1 . . . . . 321 ARG N . 54060 1 932 . 1 . 1 214 214 TRP H H 1 7.763975715 0.001275096662 . 1 . . . . . 323 TRP H . 54060 1 933 . 1 . 1 214 214 TRP C C 13 177.5384278 0 . 1 . . . . . 323 TRP C . 54060 1 934 . 1 . 1 214 214 TRP CA C 13 59.89675666 0 . 1 . . . . . 323 TRP CA . 54060 1 935 . 1 . 1 214 214 TRP N N 15 120.8549437 0 . 1 . . . . . 323 TRP N . 54060 1 936 . 1 . 1 215 215 ALA H H 1 9.074047361 0.00221892068 . 1 . . . . . 324 ALA H . 54060 1 937 . 1 . 1 215 215 ALA CA C 13 53.72107553 0 . 1 . . . . . 324 ALA CA . 54060 1 938 . 1 . 1 215 215 ALA CB C 13 20.43257857 0 . 1 . . . . . 324 ALA CB . 54060 1 939 . 1 . 1 215 215 ALA N N 15 126.8388278 0.007470490381 . 1 . . . . . 324 ALA N . 54060 1 940 . 1 . 1 216 216 LEU H H 1 8.562026141 0.002224979143 . 1 . . . . . 325 LEU H . 54060 1 941 . 1 . 1 216 216 LEU C C 13 175.4479048 0 . 1 . . . . . 325 LEU C . 54060 1 942 . 1 . 1 216 216 LEU CA C 13 54.96974287 0 . 1 . . . . . 325 LEU CA . 54060 1 943 . 1 . 1 216 216 LEU CB C 13 41.0830667 0 . 1 . . . . . 325 LEU CB . 54060 1 944 . 1 . 1 216 216 LEU N N 15 123.7742104 0.006496128438 . 1 . . . . . 325 LEU N . 54060 1 945 . 1 . 1 217 217 ARG H H 1 7.981014795 0.00301201005 . 1 . . . . . 326 ARG H . 54060 1 946 . 1 . 1 217 217 ARG C C 13 176.9588769 0 . 1 . . . . . 326 ARG C . 54060 1 947 . 1 . 1 217 217 ARG CA C 13 56.86403288 0 . 1 . . . . . 326 ARG CA . 54060 1 948 . 1 . 1 217 217 ARG CB C 13 29.998482 0 . 1 . . . . . 326 ARG CB . 54060 1 949 . 1 . 1 217 217 ARG N N 15 125.271882 0.00126569649 . 1 . . . . . 326 ARG N . 54060 1 950 . 1 . 1 219 219 ASN C C 13 178.4836478 0 . 1 . . . . . 328 ASN C . 54060 1 951 . 1 . 1 219 219 ASN CA C 13 53.38732856 0 . 1 . . . . . 328 ASN CA . 54060 1 952 . 1 . 1 219 219 ASN CB C 13 38.25594843 0 . 1 . . . . . 328 ASN CB . 54060 1 953 . 1 . 1 220 220 TRP H H 1 8.072725524 0.0006972081341 . 1 . . . . . 329 TRP H . 54060 1 954 . 1 . 1 220 220 TRP C C 13 177.4443275 0 . 1 . . . . . 329 TRP C . 54060 1 955 . 1 . 1 220 220 TRP CA C 13 57.51876483 0 . 1 . . . . . 329 TRP CA . 54060 1 956 . 1 . 1 220 220 TRP CB C 13 30.01611631 0 . 1 . . . . . 329 TRP CB . 54060 1 957 . 1 . 1 220 220 TRP N N 15 121.8645988 0.007542800985 . 1 . . . . . 329 TRP N . 54060 1 958 . 1 . 1 221 221 LEU H H 1 7.84782449 0.001221303451 . 1 . . . . . 330 LEU H . 54060 1 959 . 1 . 1 221 221 LEU C C 13 178.552642 0 . 1 . . . . . 330 LEU C . 54060 1 960 . 1 . 1 221 221 LEU CA C 13 52.35928394 0 . 1 . . . . . 330 LEU CA . 54060 1 961 . 1 . 1 221 221 LEU CB C 13 42.30587613 0 . 1 . . . . . 330 LEU CB . 54060 1 962 . 1 . 1 221 221 LEU N N 15 126.2993658 0.009693637495 . 1 . . . . . 330 LEU N . 54060 1 963 . 1 . 1 222 222 PRO C C 13 175.799253 0 . 1 . . . . . 331 PRO C . 54060 1 964 . 1 . 1 222 222 PRO CA C 13 62.80731661 0 . 1 . . . . . 331 PRO CA . 54060 1 965 . 1 . 1 222 222 PRO CB C 13 32.0721905 0 . 1 . . . . . 331 PRO CB . 54060 1 966 . 1 . 1 223 223 GLU H H 1 8.475414443 0.001678642952 . 1 . . . . . 332 GLU H . 54060 1 967 . 1 . 1 223 223 GLU C C 13 177.1997641 0 . 1 . . . . . 332 GLU C . 54060 1 968 . 1 . 1 223 223 GLU CA C 13 56.35853554 0 . 1 . . . . . 332 GLU CA . 54060 1 969 . 1 . 1 223 223 GLU CB C 13 30.62064371 0 . 1 . . . . . 332 GLU CB . 54060 1 970 . 1 . 1 223 223 GLU N N 15 121.4416326 0.009277019252 . 1 . . . . . 332 GLU N . 54060 1 971 . 1 . 1 224 224 ASP H H 1 8.004296986 0.0004889044746 . 1 . . . . . 333 ASP H . 54060 1 972 . 1 . 1 224 224 ASP CA C 13 55.88942011 0 . 1 . . . . . 333 ASP CA . 54060 1 973 . 1 . 1 224 224 ASP CB C 13 42.22382493 0 . 1 . . . . . 333 ASP CB . 54060 1 974 . 1 . 1 224 224 ASP N N 15 126.9388536 0.004256056047 . 1 . . . . . 333 ASP N . 54060 1 stop_ save_