data_50000 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50000 _Entry.Title ; PPARg LBD bound to the inverse agonist T0070907 and NCoR corepressor peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-07-17 _Entry.Accession_date 2019-07-17 _Entry.Last_release_date 2019-07-24 _Entry.Original_release_date 2019-07-24 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Douglas Kojetin . . . 0000-0001-8058-6168 50000 2 Jinsai Shang . . . 0000-0001-8164-1544 50000 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50000 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 739 50000 '15N chemical shifts' 237 50000 '1H chemical shifts' 237 50000 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 . . 2020-09-21 . original BMRB . 50000 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50000 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32075969 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A molecular switch regulating transcriptional repression and activation of PPARgamma ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 11 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 956 _Citation.Page_last 956 _Citation.Year 2020 _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 Jinsai Shang J. . . . 50000 1 2 Sarah Mosure S. A. . . 50000 1 3 Jie Zheng J. . . . 50000 1 4 Richard Brust R. . . . 50000 1 5 Jared Bass J. . . . 50000 1 6 Ashley Nichols A. . . . 50000 1 7 Laura Solt L. A. . . 50000 1 8 Patrick Griffin P. R. . . 50000 1 9 Douglas Kojetin D. J. . . 50000 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50000 _Assembly.ID 1 _Assembly.Name PPARGmonomer _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PPARG 1 $entity_1 . . yes native no no . . . 50000 1 2 T0070907 2 $entity_EEY . . no native no no . . . 50000 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50000 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSQLNPESADLRALAKHLYD SYIKSFPLTKAKARAILTGK TTDKSPFVIYDMNSLMMGED KIKFKHITPLQEQSKEVAIR IFQGCQFRSVEAVQEITEYA KSIPGFVNLDLNDQVTLLKY GVHEIIYTMLASLMNKDGVL ISEGQGFMTREFLKSLRKPF GDFMEPKFEFAVKFNALELD DSDLAIFIAVIILSGDRPGL LNVKPIEDIQDNLLQALELQ LKLNHPESSQLFAKLLQKMT DLRQIVTEHVQLLQVIKKTE TDMSLHPLLQEIYKDLY ; _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 277 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 201 GLY . 50000 1 2 202 SER . 50000 1 3 203 GLN . 50000 1 4 204 LEU . 50000 1 5 205 ASN . 50000 1 6 206 PRO . 50000 1 7 207 GLU . 50000 1 8 208 SER . 50000 1 9 209 ALA . 50000 1 10 210 ASP . 50000 1 11 211 LEU . 50000 1 12 212 ARG . 50000 1 13 213 ALA . 50000 1 14 214 LEU . 50000 1 15 215 ALA . 50000 1 16 216 LYS . 50000 1 17 217 HIS . 50000 1 18 218 LEU . 50000 1 19 219 TYR . 50000 1 20 220 ASP . 50000 1 21 221 SER . 50000 1 22 222 TYR . 50000 1 23 223 ILE . 50000 1 24 224 LYS . 50000 1 25 225 SER . 50000 1 26 226 PHE . 50000 1 27 227 PRO . 50000 1 28 228 LEU . 50000 1 29 229 THR . 50000 1 30 230 LYS . 50000 1 31 231 ALA . 50000 1 32 232 LYS . 50000 1 33 233 ALA . 50000 1 34 234 ARG . 50000 1 35 235 ALA . 50000 1 36 236 ILE . 50000 1 37 237 LEU . 50000 1 38 238 THR . 50000 1 39 239 GLY . 50000 1 40 240 LYS . 50000 1 41 241 THR . 50000 1 42 242 THR . 50000 1 43 243 ASP . 50000 1 44 244 LYS . 50000 1 45 245 SER . 50000 1 46 246 PRO . 50000 1 47 247 PHE . 50000 1 48 248 VAL . 50000 1 49 249 ILE . 50000 1 50 250 TYR . 50000 1 51 251 ASP . 50000 1 52 252 MET . 50000 1 53 253 ASN . 50000 1 54 254 SER . 50000 1 55 255 LEU . 50000 1 56 256 MET . 50000 1 57 257 MET . 50000 1 58 258 GLY . 50000 1 59 259 GLU . 50000 1 60 260 ASP . 50000 1 61 261 LYS . 50000 1 62 262 ILE . 50000 1 63 263 LYS . 50000 1 64 264 PHE . 50000 1 65 265 LYS . 50000 1 66 266 HIS . 50000 1 67 267 ILE . 50000 1 68 268 THR . 50000 1 69 269 PRO . 50000 1 70 270 LEU . 50000 1 71 271 GLN . 50000 1 72 272 GLU . 50000 1 73 273 GLN . 50000 1 74 274 SER . 50000 1 75 275 LYS . 50000 1 76 276 GLU . 50000 1 77 277 VAL . 50000 1 78 278 ALA . 50000 1 79 279 ILE . 50000 1 80 280 ARG . 50000 1 81 281 ILE . 50000 1 82 282 PHE . 50000 1 83 283 GLN . 50000 1 84 284 GLY . 50000 1 85 285 CYS . 50000 1 86 286 GLN . 50000 1 87 287 PHE . 50000 1 88 288 ARG . 50000 1 89 289 SER . 50000 1 90 290 VAL . 50000 1 91 291 GLU . 50000 1 92 292 ALA . 50000 1 93 293 VAL . 50000 1 94 294 GLN . 50000 1 95 295 GLU . 50000 1 96 296 ILE . 50000 1 97 297 THR . 50000 1 98 298 GLU . 50000 1 99 299 TYR . 50000 1 100 300 ALA . 50000 1 101 301 LYS . 50000 1 102 302 SER . 50000 1 103 303 ILE . 50000 1 104 304 PRO . 50000 1 105 305 GLY . 50000 1 106 306 PHE . 50000 1 107 307 VAL . 50000 1 108 308 ASN . 50000 1 109 309 LEU . 50000 1 110 310 ASP . 50000 1 111 311 LEU . 50000 1 112 312 ASN . 50000 1 113 313 ASP . 50000 1 114 314 GLN . 50000 1 115 315 VAL . 50000 1 116 316 THR . 50000 1 117 317 LEU . 50000 1 118 318 LEU . 50000 1 119 319 LYS . 50000 1 120 320 TYR . 50000 1 121 321 GLY . 50000 1 122 322 VAL . 50000 1 123 323 HIS . 50000 1 124 324 GLU . 50000 1 125 325 ILE . 50000 1 126 326 ILE . 50000 1 127 327 TYR . 50000 1 128 328 THR . 50000 1 129 329 MET . 50000 1 130 330 LEU . 50000 1 131 331 ALA . 50000 1 132 332 SER . 50000 1 133 333 LEU . 50000 1 134 334 MET . 50000 1 135 335 ASN . 50000 1 136 336 LYS . 50000 1 137 337 ASP . 50000 1 138 338 GLY . 50000 1 139 339 VAL . 50000 1 140 340 LEU . 50000 1 141 341 ILE . 50000 1 142 342 SER . 50000 1 143 343 GLU . 50000 1 144 344 GLY . 50000 1 145 345 GLN . 50000 1 146 346 GLY . 50000 1 147 347 PHE . 50000 1 148 348 MET . 50000 1 149 349 THR . 50000 1 150 350 ARG . 50000 1 151 351 GLU . 50000 1 152 352 PHE . 50000 1 153 353 LEU . 50000 1 154 354 LYS . 50000 1 155 355 SER . 50000 1 156 356 LEU . 50000 1 157 357 ARG . 50000 1 158 358 LYS . 50000 1 159 359 PRO . 50000 1 160 360 PHE . 50000 1 161 361 GLY . 50000 1 162 362 ASP . 50000 1 163 363 PHE . 50000 1 164 364 MET . 50000 1 165 365 GLU . 50000 1 166 366 PRO . 50000 1 167 367 LYS . 50000 1 168 368 PHE . 50000 1 169 369 GLU . 50000 1 170 370 PHE . 50000 1 171 371 ALA . 50000 1 172 372 VAL . 50000 1 173 373 LYS . 50000 1 174 374 PHE . 50000 1 175 375 ASN . 50000 1 176 376 ALA . 50000 1 177 377 LEU . 50000 1 178 378 GLU . 50000 1 179 379 LEU . 50000 1 180 380 ASP . 50000 1 181 381 ASP . 50000 1 182 382 SER . 50000 1 183 383 ASP . 50000 1 184 384 LEU . 50000 1 185 385 ALA . 50000 1 186 386 ILE . 50000 1 187 387 PHE . 50000 1 188 388 ILE . 50000 1 189 389 ALA . 50000 1 190 390 VAL . 50000 1 191 391 ILE . 50000 1 192 392 ILE . 50000 1 193 393 LEU . 50000 1 194 394 SER . 50000 1 195 395 GLY . 50000 1 196 396 ASP . 50000 1 197 397 ARG . 50000 1 198 398 PRO . 50000 1 199 399 GLY . 50000 1 200 400 LEU . 50000 1 201 401 LEU . 50000 1 202 402 ASN . 50000 1 203 403 VAL . 50000 1 204 404 LYS . 50000 1 205 405 PRO . 50000 1 206 406 ILE . 50000 1 207 407 GLU . 50000 1 208 408 ASP . 50000 1 209 409 ILE . 50000 1 210 410 GLN . 50000 1 211 411 ASP . 50000 1 212 412 ASN . 50000 1 213 413 LEU . 50000 1 214 414 LEU . 50000 1 215 415 GLN . 50000 1 216 416 ALA . 50000 1 217 417 LEU . 50000 1 218 418 GLU . 50000 1 219 419 LEU . 50000 1 220 420 GLN . 50000 1 221 421 LEU . 50000 1 222 422 LYS . 50000 1 223 423 LEU . 50000 1 224 424 ASN . 50000 1 225 425 HIS . 50000 1 226 426 PRO . 50000 1 227 427 GLU . 50000 1 228 428 SER . 50000 1 229 429 SER . 50000 1 230 430 GLN . 50000 1 231 431 LEU . 50000 1 232 432 PHE . 50000 1 233 433 ALA . 50000 1 234 434 LYS . 50000 1 235 435 LEU . 50000 1 236 436 LEU . 50000 1 237 437 GLN . 50000 1 238 438 LYS . 50000 1 239 439 MET . 50000 1 240 440 THR . 50000 1 241 441 ASP . 50000 1 242 442 LEU . 50000 1 243 443 ARG . 50000 1 244 444 GLN . 50000 1 245 445 ILE . 50000 1 246 446 VAL . 50000 1 247 447 THR . 50000 1 248 448 GLU . 50000 1 249 449 HIS . 50000 1 250 450 VAL . 50000 1 251 451 GLN . 50000 1 252 452 LEU . 50000 1 253 453 LEU . 50000 1 254 454 GLN . 50000 1 255 455 VAL . 50000 1 256 456 ILE . 50000 1 257 457 LYS . 50000 1 258 458 LYS . 50000 1 259 459 THR . 50000 1 260 460 GLU . 50000 1 261 461 THR . 50000 1 262 462 ASP . 50000 1 263 463 MET . 50000 1 264 464 SER . 50000 1 265 465 LEU . 50000 1 266 466 HIS . 50000 1 267 467 PRO . 50000 1 268 468 LEU . 50000 1 269 469 LEU . 50000 1 270 470 GLN . 50000 1 271 471 GLU . 50000 1 272 472 ILE . 50000 1 273 473 TYR . 50000 1 274 474 LYS . 50000 1 275 475 ASP . 50000 1 276 476 LEU . 50000 1 277 477 TYR . 50000 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 50000 1 . SER 2 2 50000 1 . GLN 3 3 50000 1 . LEU 4 4 50000 1 . ASN 5 5 50000 1 . PRO 6 6 50000 1 . GLU 7 7 50000 1 . SER 8 8 50000 1 . ALA 9 9 50000 1 . ASP 10 10 50000 1 . LEU 11 11 50000 1 . ARG 12 12 50000 1 . ALA 13 13 50000 1 . LEU 14 14 50000 1 . ALA 15 15 50000 1 . LYS 16 16 50000 1 . HIS 17 17 50000 1 . LEU 18 18 50000 1 . TYR 19 19 50000 1 . ASP 20 20 50000 1 . SER 21 21 50000 1 . TYR 22 22 50000 1 . ILE 23 23 50000 1 . LYS 24 24 50000 1 . SER 25 25 50000 1 . PHE 26 26 50000 1 . PRO 27 27 50000 1 . LEU 28 28 50000 1 . THR 29 29 50000 1 . LYS 30 30 50000 1 . ALA 31 31 50000 1 . LYS 32 32 50000 1 . ALA 33 33 50000 1 . ARG 34 34 50000 1 . ALA 35 35 50000 1 . ILE 36 36 50000 1 . LEU 37 37 50000 1 . THR 38 38 50000 1 . GLY 39 39 50000 1 . LYS 40 40 50000 1 . THR 41 41 50000 1 . THR 42 42 50000 1 . ASP 43 43 50000 1 . LYS 44 44 50000 1 . SER 45 45 50000 1 . PRO 46 46 50000 1 . PHE 47 47 50000 1 . VAL 48 48 50000 1 . ILE 49 49 50000 1 . TYR 50 50 50000 1 . ASP 51 51 50000 1 . MET 52 52 50000 1 . ASN 53 53 50000 1 . SER 54 54 50000 1 . LEU 55 55 50000 1 . MET 56 56 50000 1 . MET 57 57 50000 1 . GLY 58 58 50000 1 . GLU 59 59 50000 1 . ASP 60 60 50000 1 . LYS 61 61 50000 1 . ILE 62 62 50000 1 . LYS 63 63 50000 1 . PHE 64 64 50000 1 . LYS 65 65 50000 1 . HIS 66 66 50000 1 . ILE 67 67 50000 1 . THR 68 68 50000 1 . PRO 69 69 50000 1 . LEU 70 70 50000 1 . GLN 71 71 50000 1 . GLU 72 72 50000 1 . GLN 73 73 50000 1 . SER 74 74 50000 1 . LYS 75 75 50000 1 . GLU 76 76 50000 1 . VAL 77 77 50000 1 . ALA 78 78 50000 1 . ILE 79 79 50000 1 . ARG 80 80 50000 1 . ILE 81 81 50000 1 . PHE 82 82 50000 1 . GLN 83 83 50000 1 . GLY 84 84 50000 1 . CYS 85 85 50000 1 . GLN 86 86 50000 1 . PHE 87 87 50000 1 . ARG 88 88 50000 1 . SER 89 89 50000 1 . VAL 90 90 50000 1 . GLU 91 91 50000 1 . ALA 92 92 50000 1 . VAL 93 93 50000 1 . GLN 94 94 50000 1 . GLU 95 95 50000 1 . ILE 96 96 50000 1 . THR 97 97 50000 1 . GLU 98 98 50000 1 . TYR 99 99 50000 1 . ALA 100 100 50000 1 . LYS 101 101 50000 1 . SER 102 102 50000 1 . ILE 103 103 50000 1 . PRO 104 104 50000 1 . GLY 105 105 50000 1 . PHE 106 106 50000 1 . VAL 107 107 50000 1 . ASN 108 108 50000 1 . LEU 109 109 50000 1 . ASP 110 110 50000 1 . LEU 111 111 50000 1 . ASN 112 112 50000 1 . ASP 113 113 50000 1 . GLN 114 114 50000 1 . VAL 115 115 50000 1 . THR 116 116 50000 1 . LEU 117 117 50000 1 . LEU 118 118 50000 1 . LYS 119 119 50000 1 . TYR 120 120 50000 1 . GLY 121 121 50000 1 . VAL 122 122 50000 1 . HIS 123 123 50000 1 . GLU 124 124 50000 1 . ILE 125 125 50000 1 . ILE 126 126 50000 1 . TYR 127 127 50000 1 . THR 128 128 50000 1 . MET 129 129 50000 1 . LEU 130 130 50000 1 . ALA 131 131 50000 1 . SER 132 132 50000 1 . LEU 133 133 50000 1 . MET 134 134 50000 1 . ASN 135 135 50000 1 . LYS 136 136 50000 1 . ASP 137 137 50000 1 . GLY 138 138 50000 1 . VAL 139 139 50000 1 . LEU 140 140 50000 1 . ILE 141 141 50000 1 . SER 142 142 50000 1 . GLU 143 143 50000 1 . GLY 144 144 50000 1 . GLN 145 145 50000 1 . GLY 146 146 50000 1 . PHE 147 147 50000 1 . MET 148 148 50000 1 . THR 149 149 50000 1 . ARG 150 150 50000 1 . GLU 151 151 50000 1 . PHE 152 152 50000 1 . LEU 153 153 50000 1 . LYS 154 154 50000 1 . SER 155 155 50000 1 . LEU 156 156 50000 1 . ARG 157 157 50000 1 . LYS 158 158 50000 1 . PRO 159 159 50000 1 . PHE 160 160 50000 1 . GLY 161 161 50000 1 . ASP 162 162 50000 1 . PHE 163 163 50000 1 . MET 164 164 50000 1 . GLU 165 165 50000 1 . PRO 166 166 50000 1 . LYS 167 167 50000 1 . PHE 168 168 50000 1 . GLU 169 169 50000 1 . PHE 170 170 50000 1 . ALA 171 171 50000 1 . VAL 172 172 50000 1 . LYS 173 173 50000 1 . PHE 174 174 50000 1 . ASN 175 175 50000 1 . ALA 176 176 50000 1 . LEU 177 177 50000 1 . GLU 178 178 50000 1 . LEU 179 179 50000 1 . ASP 180 180 50000 1 . ASP 181 181 50000 1 . SER 182 182 50000 1 . ASP 183 183 50000 1 . LEU 184 184 50000 1 . ALA 185 185 50000 1 . ILE 186 186 50000 1 . PHE 187 187 50000 1 . ILE 188 188 50000 1 . ALA 189 189 50000 1 . VAL 190 190 50000 1 . ILE 191 191 50000 1 . ILE 192 192 50000 1 . LEU 193 193 50000 1 . SER 194 194 50000 1 . GLY 195 195 50000 1 . ASP 196 196 50000 1 . ARG 197 197 50000 1 . PRO 198 198 50000 1 . GLY 199 199 50000 1 . LEU 200 200 50000 1 . LEU 201 201 50000 1 . ASN 202 202 50000 1 . VAL 203 203 50000 1 . LYS 204 204 50000 1 . PRO 205 205 50000 1 . ILE 206 206 50000 1 . GLU 207 207 50000 1 . ASP 208 208 50000 1 . ILE 209 209 50000 1 . GLN 210 210 50000 1 . ASP 211 211 50000 1 . ASN 212 212 50000 1 . LEU 213 213 50000 1 . LEU 214 214 50000 1 . GLN 215 215 50000 1 . ALA 216 216 50000 1 . LEU 217 217 50000 1 . GLU 218 218 50000 1 . LEU 219 219 50000 1 . GLN 220 220 50000 1 . LEU 221 221 50000 1 . LYS 222 222 50000 1 . LEU 223 223 50000 1 . ASN 224 224 50000 1 . HIS 225 225 50000 1 . PRO 226 226 50000 1 . GLU 227 227 50000 1 . SER 228 228 50000 1 . SER 229 229 50000 1 . GLN 230 230 50000 1 . LEU 231 231 50000 1 . PHE 232 232 50000 1 . ALA 233 233 50000 1 . LYS 234 234 50000 1 . LEU 235 235 50000 1 . LEU 236 236 50000 1 . GLN 237 237 50000 1 . LYS 238 238 50000 1 . MET 239 239 50000 1 . THR 240 240 50000 1 . ASP 241 241 50000 1 . LEU 242 242 50000 1 . ARG 243 243 50000 1 . GLN 244 244 50000 1 . ILE 245 245 50000 1 . VAL 246 246 50000 1 . THR 247 247 50000 1 . GLU 248 248 50000 1 . HIS 249 249 50000 1 . VAL 250 250 50000 1 . GLN 251 251 50000 1 . LEU 252 252 50000 1 . LEU 253 253 50000 1 . GLN 254 254 50000 1 . VAL 255 255 50000 1 . ILE 256 256 50000 1 . LYS 257 257 50000 1 . LYS 258 258 50000 1 . THR 259 259 50000 1 . GLU 260 260 50000 1 . THR 261 261 50000 1 . ASP 262 262 50000 1 . MET 263 263 50000 1 . SER 264 264 50000 1 . LEU 265 265 50000 1 . HIS 266 266 50000 1 . PRO 267 267 50000 1 . LEU 268 268 50000 1 . LEU 269 269 50000 1 . GLN 270 270 50000 1 . GLU 271 271 50000 1 . ILE 272 272 50000 1 . TYR 273 273 50000 1 . LYS 274 274 50000 1 . ASP 275 275 50000 1 . LEU 276 276 50000 1 . TYR 277 277 50000 1 stop_ save_ save_entity_EEY _Entity.Sf_category entity _Entity.Sf_framecode entity_EEY _Entity.Entry_ID 50000 _Entity.ID 2 _Entity.BMRB_code EEY _Entity.Name entity_EEY _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID EEY _Entity.Nonpolymer_comp_label $chem_comp_EEY _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 277.663 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide BMRB 50000 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide BMRB 50000 2 EEY 'Three letter code' 50000 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 EEY $chem_comp_EEY 50000 2 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 50000 _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 . . . . . . . . . . . . . 50000 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 50000 _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 . . . plasmid . . pET46 . . . 50000 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_EEY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_EEY _Chem_comp.Entry_ID 50000 _Chem_comp.ID EEY _Chem_comp.Provenance PDB _Chem_comp.Name 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code EEY _Chem_comp.PDB_code EEY _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2018-12-08 _Chem_comp.Modified_date 2018-12-08 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code EEY _Chem_comp.Number_atoms_all 27 _Chem_comp.Number_atoms_nh 19 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17) _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C12 H8 Cl N3 O3' _Chem_comp.Formula_weight 277.663 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 6C1I _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl)=O SMILES ACDLabs 12.01 50000 EEY FRPJSHKMZHWJBE-UHFFFAOYSA-N InChIKey InChI 1.03 50000 EEY InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17) InChI InChI 1.03 50000 EEY [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccncc2 SMILES CACTVS 3.385 50000 EEY [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2ccncc2 SMILES_CANONICAL CACTVS 3.385 50000 EEY c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl SMILES 'OpenEye OEToolkits' 2.0.6 50000 EEY c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc2)Cl SMILES_CANONICAL 'OpenEye OEToolkits' 2.0.6 50000 EEY stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 2-chloranyl-5-nitro-~{N}-pyridin-4-yl-benzamide 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 2.0.6 50000 EEY 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide 'SYSTEMATIC NAME' ACDLabs 12.01 50000 EEY stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C10 C10 C10 C1 . C . . N 0 . . . 1 no no . . . . 18.136 . 62.370 . 15.305 . -0.658 0.444 -0.094 1 . 50000 EEY N12 N12 N12 N1 . N . . N 0 . . . 1 no no . . . . 16.697 . 62.745 . 15.330 . -1.306 -0.738 -0.076 2 . 50000 EEY C13 C13 C13 C2 . C . . N 0 . . . 1 yes no . . . . 15.631 . 62.034 . 14.589 . -2.698 -0.768 -0.008 3 . 50000 EEY C15 C15 C15 C3 . C . . N 0 . . . 1 yes no . . . . 13.566 . 60.734 . 14.612 . -4.799 -1.780 -0.535 4 . 50000 EEY C17 C17 C17 C4 . C . . N 0 . . . 1 yes no . . . . 14.567 . 61.265 . 12.618 . -4.779 0.146 0.735 5 . 50000 EEY C01 C01 C01 C5 . C . . N 0 . . . 1 yes no . . . . 20.740 . 64.772 . 17.871 . 3.587 0.539 0.028 6 . 50000 EEY C02 C02 C02 C6 . C . . N 0 . . . 1 yes no . . . . 20.931 . 64.794 . 16.489 . 2.875 1.723 -0.030 7 . 50000 EEY C03 C03 C03 C7 . C . . N 0 . . . 1 yes no . . . . 20.117 . 64.033 . 15.626 . 1.494 1.700 -0.070 8 . 50000 EEY C04 C04 C04 C8 . C . . N 0 . . . 1 yes no . . . . 19.101 . 63.234 . 16.175 . 0.819 0.477 -0.052 9 . 50000 EEY C05 C05 C05 C9 . C . . N 0 . . . 1 yes no . . . . 18.914 . 63.217 . 17.554 . 1.546 -0.714 0.007 10 . 50000 EEY C06 C06 C06 C10 . C . . N 0 . . . 1 yes no . . . . 19.719 . 63.972 . 18.400 . 2.924 -0.675 0.047 11 . 50000 EEY C14 C14 C14 C11 . C . . N 0 . . . 1 yes no . . . . 14.576 . 61.414 . 15.277 . -3.423 -1.786 -0.627 12 . 50000 EEY C18 C18 C18 C12 . C . . N 0 . . . 1 yes no . . . . 15.611 . 61.954 . 13.226 . -3.402 0.215 0.686 13 . 50000 EEY N07 N07 N07 N2 . N . . N 1 . . . 1 no no . . . . 19.448 . 63.879 . 19.840 . 3.695 -1.937 0.103 14 . 50000 EEY N16 N16 N16 N3 . N . . N 0 . . . 1 yes no . . . . 13.588 . 60.682 . 13.302 . -5.429 -0.828 0.127 15 . 50000 EEY O08 O08 O08 O1 . O . . N -1 . . . 1 no no . . . . 20.209 . 64.606 . 20.802 . 3.114 -3.007 0.119 16 . 50000 EEY O09 O09 O09 O2 . O . . N 0 . . . 1 no no . . . . 18.405 . 63.035 . 20.257 . 4.913 -1.906 0.133 17 . 50000 EEY O11 O11 O11 O3 . O . . N 0 . . . 1 no no . . . . 18.531 . 61.459 . 14.651 . -1.288 1.482 -0.150 18 . 50000 EEY CL1 CL1 CL1 CL1 . CL . . N 0 . . . 0 no yes . . . . 19.517 . 64.307 . 13.692 . 0.600 3.187 -0.143 19 . 50000 EEY H1 H1 H1 H1 . H . . N 0 . . . 1 no no . . . . 16.431 . 63.532 . 15.886 . -0.804 -1.567 -0.111 20 . 50000 EEY H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 12.773 . 60.254 . 15.166 . -5.369 -2.565 -1.011 21 . 50000 EEY H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 14.551 . 61.201 . 11.540 . -5.332 0.904 1.270 22 . 50000 EEY H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 21.369 . 65.362 . 18.522 . 4.667 0.562 0.055 23 . 50000 EEY H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 21.718 . 65.406 . 16.073 . 3.399 2.667 -0.044 24 . 50000 EEY H6 H6 H6 H6 . H . . N 0 . . . 1 no no . . . . 18.129 . 62.606 . 17.975 . 1.030 -1.663 0.022 25 . 50000 EEY H7 H7 H7 H7 . H . . N 0 . . . 1 no no . . . . 14.550 . 61.468 . 16.355 . -2.914 -2.568 -1.170 26 . 50000 EEY H8 H8 H8 H8 . H . . N 0 . . . 1 no no . . . . 16.388 . 62.415 . 12.634 . -2.876 1.020 1.179 27 . 50000 EEY stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C17 C18 yes N 1 . 50000 EEY 2 . SING C17 N16 yes N 2 . 50000 EEY 3 . SING C18 C13 yes N 3 . 50000 EEY 4 . DOUB N16 C15 yes N 4 . 50000 EEY 5 . DOUB C13 C14 yes N 5 . 50000 EEY 6 . SING C13 N12 no N 6 . 50000 EEY 7 . SING C15 C14 yes N 7 . 50000 EEY 8 . DOUB O11 C10 no N 8 . 50000 EEY 9 . SING C10 N12 no N 9 . 50000 EEY 10 . SING C10 C04 no N 10 . 50000 EEY 11 . DOUB C03 C04 yes N 11 . 50000 EEY 12 . SING C03 C02 yes N 12 . 50000 EEY 13 . SING C04 C05 yes N 13 . 50000 EEY 14 . DOUB C02 C01 yes N 14 . 50000 EEY 15 . DOUB C05 C06 yes N 15 . 50000 EEY 16 . SING C01 C06 yes N 16 . 50000 EEY 17 . SING C06 N07 no N 17 . 50000 EEY 18 . DOUB N07 O09 no N 18 . 50000 EEY 19 . SING N07 O08 no N 19 . 50000 EEY 20 . SING C03 CL1 no N 20 . 50000 EEY 21 . SING N12 H1 no N 21 . 50000 EEY 22 . SING C15 H2 no N 22 . 50000 EEY 23 . SING C17 H3 no N 23 . 50000 EEY 24 . SING C01 H4 no N 24 . 50000 EEY 25 . SING C02 H5 no N 25 . 50000 EEY 26 . SING C05 H6 no N 26 . 50000 EEY 27 . SING C14 H7 no N 27 . 50000 EEY 28 . SING C18 H8 no N 28 . 50000 EEY stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50000 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N; U-70% 2H]' . . 1 $entity_1 . . 1 . . mM . . . . 50000 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50000 1 3 'potassium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50000 1 4 tris(2-carboxyethyl)phosphine 'natural abundance' . . . . . . 1 . . mM . . . . 50000 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 50000 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 70 . mM 50000 1 pH 7.4 . pH 50000 1 pressure 1 . atm 50000 1 temperature 298 . K 50000 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50000 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 50000 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 50000 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50000 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50000 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50000 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50000 _Software.ID 3 _Software.Type . _Software.Name 'NMRFx Processor' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 50000 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 50000 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50000 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 50000 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 . . . 50000 1 stop_ 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 50000 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50000 1 2 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50000 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50000 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50000 1 5 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50000 1 6 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50000 1 7 '2D 1H-15N TROSY HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50000 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 50000 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details 'external DSS' 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 . . . . . 50000 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50000 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50000 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 50000 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCO' . . . 50000 1 2 '3D HN(CA)CO' . . . 50000 1 3 '3D HNCA' . . . 50000 1 4 '3D HN(CO)CA' . . . 50000 1 5 '3D HN(CA)CB' . . . 50000 1 6 '3D HN(COCA)CB' . . . 50000 1 7 '2D 1H-15N TROSY HSQC' . . . 50000 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 3 3 GLN C C 13 175.6936 0.0000 . 1 . . 46640 . . 203 GLN C . 50000 1 2 . 1 . 1 3 3 GLN CA C 13 55.2202 0.0000 . 1 . . 43547 . . 203 GLN CA . 50000 1 3 . 1 . 1 3 3 GLN CB C 13 28.7104 0.0000 . 1 . . 66940 . . 203 GLN CB . 50000 1 4 . 1 . 1 4 4 LEU H H 1 8.3779 0.0000 . 1 . . 43545 . . 204 LEU H . 50000 1 5 . 1 . 1 4 4 LEU C C 13 176.5411 0.0000 . 1 . . 46499 . . 204 LEU C . 50000 1 6 . 1 . 1 4 4 LEU CA C 13 54.4320 0.0000 . 1 . . 45602 . . 204 LEU CA . 50000 1 7 . 1 . 1 4 4 LEU CB C 13 41.1385 0.0000 . 1 . . 71727 . . 204 LEU CB . 50000 1 8 . 1 . 1 4 4 LEU N N 15 123.7862 0.0000 . 1 . . 43546 . . 204 LEU N . 50000 1 9 . 1 . 1 5 5 ASN H H 1 8.4496 0.0000 . 1 . . 43608 . . 205 ASN H . 50000 1 10 . 1 . 1 5 5 ASN C C 13 173.2867 0.0000 . 1 . . 46823 . . 205 ASN C . 50000 1 11 . 1 . 1 5 5 ASN CA C 13 50.8110 0.0000 . 1 . . 45758 . . 205 ASN CA . 50000 1 12 . 1 . 1 5 5 ASN CB C 13 37.8542 0.0000 . 1 . . 66934 . . 205 ASN CB . 50000 1 13 . 1 . 1 5 5 ASN N N 15 120.9855 0.0000 . 1 . . 43609 . . 205 ASN N . 50000 1 14 . 1 . 1 6 6 PRO C C 13 177.2196 0.0000 . 1 . . 47303 . . 206 PRO C . 50000 1 15 . 1 . 1 6 6 PRO CA C 13 63.1974 0.0000 . 1 . . 43076 . . 206 PRO CA . 50000 1 16 . 1 . 1 6 6 PRO CB C 13 30.8770 0.0000 . 1 . . 71099 . . 206 PRO CB . 50000 1 17 . 1 . 1 7 7 GLU H H 1 8.5781 0.0000 . 1 . . 43074 . . 207 GLU H . 50000 1 18 . 1 . 1 7 7 GLU C C 13 177.3983 0.0000 . 1 . . 46403 . . 207 GLU C . 50000 1 19 . 1 . 1 7 7 GLU CA C 13 56.0901 0.0000 . 1 . . 45419 . . 207 GLU CA . 50000 1 20 . 1 . 1 7 7 GLU N N 15 119.9168 0.0000 . 1 . . 43075 . . 207 GLU N . 50000 1 21 . 1 . 1 8 8 SER H H 1 8.2286 0.0000 . 1 . . 43512 . . 208 SER H . 50000 1 22 . 1 . 1 8 8 SER CA C 13 59.2996 0.0000 . 1 . . 58638 . . 208 SER CA . 50000 1 23 . 1 . 1 8 8 SER CB C 13 62.4464 0.0000 . 1 . . 71093 . . 208 SER CB . 50000 1 24 . 1 . 1 8 8 SER N N 15 116.9884 0.0000 . 1 . . 43513 . . 208 SER N . 50000 1 25 . 1 . 1 9 9 ALA H H 1 8.3496 0.0000 . 1 . . 58609 . . 209 ALA H . 50000 1 26 . 1 . 1 9 9 ALA C C 13 179.4786 0.0000 . 1 . . 46055 . . 209 ALA C . 50000 1 27 . 1 . 1 9 9 ALA CA C 13 53.7519 0.0000 . 1 . . 45677 . . 209 ALA CA . 50000 1 28 . 1 . 1 9 9 ALA CB C 13 17.5774 0.0000 . 1 . . 64949 . . 209 ALA CB . 50000 1 29 . 1 . 1 9 9 ALA N N 15 124.6653 0.0000 . 1 . . 58610 . . 209 ALA N . 50000 1 30 . 1 . 1 10 10 ASP H H 1 7.9304 0.0000 . 1 . . 48487 . . 210 ASP H . 50000 1 31 . 1 . 1 10 10 ASP C C 13 178.5889 0.0000 . 1 . . 48498 . . 210 ASP C . 50000 1 32 . 1 . 1 10 10 ASP CA C 13 55.1190 0.0000 . 1 . . 48489 . . 210 ASP CA . 50000 1 33 . 1 . 1 10 10 ASP CB C 13 39.5164 0.0000 . 1 . . 71087 . . 210 ASP CB . 50000 1 34 . 1 . 1 10 10 ASP N N 15 119.0525 0.0000 . 1 . . 48488 . . 210 ASP N . 50000 1 35 . 1 . 1 11 11 LEU H H 1 8.0562 0.0000 . 1 . . 43548 . . 211 LEU H . 50000 1 36 . 1 . 1 11 11 LEU C C 13 181.2390 0.0000 . 1 . . 45992 . . 211 LEU C . 50000 1 37 . 1 . 1 11 11 LEU CA C 13 56.9458 0.0000 . 1 . . 45326 . . 211 LEU CA . 50000 1 38 . 1 . 1 11 11 LEU CB C 13 41.2191 0.0000 . 1 . . 71084 . . 211 LEU CB . 50000 1 39 . 1 . 1 11 11 LEU N N 15 122.6261 0.0000 . 1 . . 43549 . . 211 LEU N . 50000 1 40 . 1 . 1 12 12 ARG H H 1 8.2884 0.0000 . 1 . . 43428 . . 212 ARG H . 50000 1 41 . 1 . 1 12 12 ARG C C 13 178.9789 0.0000 . 1 . . 46151 . . 212 ARG C . 50000 1 42 . 1 . 1 12 12 ARG CA C 13 56.8628 0.0000 . 1 . . 45896 . . 212 ARG CA . 50000 1 43 . 1 . 1 12 12 ARG CB C 13 26.6717 0.0000 . 1 . . 64967 . . 212 ARG CB . 50000 1 44 . 1 . 1 12 12 ARG N N 15 120.9808 0.0000 . 1 . . 43429 . . 212 ARG N . 50000 1 45 . 1 . 1 13 13 ALA H H 1 8.1054 0.0000 . 1 . . 43458 . . 213 ALA H . 50000 1 46 . 1 . 1 13 13 ALA C C 13 180.7278 0.0000 . 1 . . 46007 . . 213 ALA C . 50000 1 47 . 1 . 1 13 13 ALA CA C 13 54.2984 0.0000 . 1 . . 45632 . . 213 ALA CA . 50000 1 48 . 1 . 1 13 13 ALA CB C 13 16.7204 0.0000 . 1 . . 64973 . . 213 ALA CB . 50000 1 49 . 1 . 1 13 13 ALA N N 15 124.6858 0.0000 . 1 . . 43459 . . 213 ALA N . 50000 1 50 . 1 . 1 14 14 LEU H H 1 7.9312 0.0000 . 1 . . 45642 . . 214 LEU H . 50000 1 51 . 1 . 1 14 14 LEU C C 13 177.9748 0.0000 . 1 . . 46310 . . 214 LEU C . 50000 1 52 . 1 . 1 14 14 LEU CA C 13 57.2736 0.0000 . 1 . . 45299 . . 214 LEU CA . 50000 1 53 . 1 . 1 14 14 LEU CB C 13 40.2120 0.0000 . 1 . . 64979 . . 214 LEU CB . 50000 1 54 . 1 . 1 14 14 LEU N N 15 121.1823 0.0000 . 1 . . 45643 . . 214 LEU N . 50000 1 55 . 1 . 1 15 15 ALA H H 1 7.5299 0.0000 . 1 . . 43413 . . 215 ALA H . 50000 1 56 . 1 . 1 15 15 ALA C C 13 179.7040 0.0000 . 1 . . 46043 . . 215 ALA C . 50000 1 57 . 1 . 1 15 15 ALA CA C 13 55.3214 0.0000 . 1 . . 45530 . . 215 ALA CA . 50000 1 58 . 1 . 1 15 15 ALA CB C 13 17.9327 0.0000 . 1 . . 71072 . . 215 ALA CB . 50000 1 59 . 1 . 1 15 15 ALA N N 15 120.2940 0.0000 . 1 . . 43414 . . 215 ALA N . 50000 1 60 . 1 . 1 16 16 LYS H H 1 7.9019 0.0000 . 1 . . 43560 . . 216 LYS H . 50000 1 61 . 1 . 1 16 16 LYS C C 13 177.6187 0.0000 . 1 . . 46364 . . 216 LYS C . 50000 1 62 . 1 . 1 16 16 LYS CA C 13 58.5100 0.0000 . 1 . . 45914 . . 216 LYS CA . 50000 1 63 . 1 . 1 16 16 LYS CB C 13 30.9534 0.0000 . 1 . . 71063 . . 216 LYS CB . 50000 1 64 . 1 . 1 16 16 LYS N N 15 119.9453 0.0000 . 1 . . 43561 . . 216 LYS N . 50000 1 65 . 1 . 1 17 17 HIS H H 1 8.3822 0.0000 . 1 . . 47328 . . 217 HIS H . 50000 1 66 . 1 . 1 17 17 HIS C C 13 178.6870 0.0000 . 1 . . 46208 . . 217 HIS C . 50000 1 67 . 1 . 1 17 17 HIS CA C 13 58.7328 0.0000 . 1 . . 45119 . . 217 HIS CA . 50000 1 68 . 1 . 1 17 17 HIS CB C 13 28.8190 0.0000 . 1 . . 64707 . . 217 HIS CB . 50000 1 69 . 1 . 1 17 17 HIS N N 15 119.2219 0.0000 . 1 . . 47329 . . 217 HIS N . 50000 1 70 . 1 . 1 18 18 LEU H H 1 8.4755 0.0000 . 1 . . 43296 . . 218 LEU H . 50000 1 71 . 1 . 1 18 18 LEU C C 13 178.4786 0.0000 . 1 . . 46256 . . 218 LEU C . 50000 1 72 . 1 . 1 18 18 LEU CA C 13 57.0023 0.0000 . 1 . . 45341 . . 218 LEU CA . 50000 1 73 . 1 . 1 18 18 LEU CB C 13 38.2494 0.0000 . 1 . . 71057 . . 218 LEU CB . 50000 1 74 . 1 . 1 18 18 LEU N N 15 118.9795 0.0000 . 1 . . 43297 . . 218 LEU N . 50000 1 75 . 1 . 1 19 19 TYR H H 1 8.2263 0.0000 . 1 . . 43434 . . 219 TYR H . 50000 1 76 . 1 . 1 19 19 TYR C C 13 176.6542 0.0000 . 1 . . 47369 . . 219 TYR C . 50000 1 77 . 1 . 1 19 19 TYR CA C 13 60.0285 0.0000 . 1 . . 45005 . . 219 TYR CA . 50000 1 78 . 1 . 1 19 19 TYR CB C 13 36.3821 0.0000 . 1 . . 71054 . . 219 TYR CB . 50000 1 79 . 1 . 1 19 19 TYR N N 15 120.3713 0.0000 . 1 . . 43435 . . 219 TYR N . 50000 1 80 . 1 . 1 20 20 ASP H H 1 8.6244 0.0000 . 1 . . 46062 . . 220 ASP H . 50000 1 81 . 1 . 1 20 20 ASP C C 13 179.6004 0.0000 . 1 . . 46064 . . 220 ASP C . 50000 1 82 . 1 . 1 20 20 ASP CA C 13 56.7700 0.0000 . 1 . . 45371 . . 220 ASP CA . 50000 1 83 . 1 . 1 20 20 ASP CB C 13 39.0748 0.0000 . 1 . . 65018 . . 220 ASP CB . 50000 1 84 . 1 . 1 20 20 ASP N N 15 119.1576 0.0000 . 1 . . 46063 . . 220 ASP N . 50000 1 85 . 1 . 1 21 21 SER H H 1 7.9514 0.0000 . 1 . . 43470 . . 221 SER H . 50000 1 86 . 1 . 1 21 21 SER CA C 13 60.5579 0.0000 . 1 . . 65024 . . 221 SER CA . 50000 1 87 . 1 . 1 21 21 SER CB C 13 61.7433 0.0000 . 1 . . 65021 . . 221 SER CB . 50000 1 88 . 1 . 1 21 21 SER N N 15 115.3352 0.0000 . 1 . . 43471 . . 221 SER N . 50000 1 89 . 1 . 1 22 22 TYR H H 1 9.0959 0.0000 . 1 . . 50914 . . 222 TYR H . 50000 1 90 . 1 . 1 22 22 TYR C C 13 176.4211 0.0000 . 1 . . 50957 . . 222 TYR C . 50000 1 91 . 1 . 1 22 22 TYR CA C 13 60.6681 0.0000 . 1 . . 50945 . . 222 TYR CA . 50000 1 92 . 1 . 1 22 22 TYR CB C 13 37.8181 0.0000 . 1 . . 66746 . . 222 TYR CB . 50000 1 93 . 1 . 1 22 22 TYR N N 15 128.8022 0.0000 . 1 . . 50915 . . 222 TYR N . 50000 1 94 . 1 . 1 23 23 ILE H H 1 8.3189 0.0000 . 1 . . 43203 . . 223 ILE H . 50000 1 95 . 1 . 1 23 23 ILE C C 13 178.9280 0.0000 . 1 . . 46940 . . 223 ILE C . 50000 1 96 . 1 . 1 23 23 ILE CA C 13 60.7308 0.0000 . 1 . . 44936 . . 223 ILE CA . 50000 1 97 . 1 . 1 23 23 ILE CB C 13 35.1537 0.0000 . 1 . . 66740 . . 223 ILE CB . 50000 1 98 . 1 . 1 23 23 ILE N N 15 118.2525 0.0000 . 1 . . 43204 . . 223 ILE N . 50000 1 99 . 1 . 1 24 24 LYS H H 1 7.1900 0.0000 . 1 . . 48563 . . 224 LYS H . 50000 1 100 . 1 . 1 24 24 LYS C C 13 177.9396 0.0000 . 1 . . 48571 . . 224 LYS C . 50000 1 101 . 1 . 1 24 24 LYS CA C 13 57.8407 0.0000 . 1 . . 48568 . . 224 LYS CA . 50000 1 102 . 1 . 1 24 24 LYS CB C 13 31.5559 0.0000 . 1 . . 71039 . . 224 LYS CB . 50000 1 103 . 1 . 1 24 24 LYS N N 15 118.5180 0.0000 . 1 . . 48564 . . 224 LYS N . 50000 1 104 . 1 . 1 25 25 SER H H 1 7.4173 0.0000 . 1 . . 43389 . . 225 SER H . 50000 1 105 . 1 . 1 25 25 SER C C 13 172.7926 0.0000 . 1 . . 46853 . . 225 SER C . 50000 1 106 . 1 . 1 25 25 SER CA C 13 61.0949 0.0000 . 1 . . 44924 . . 225 SER CA . 50000 1 107 . 1 . 1 25 25 SER CB C 13 63.5872 0.0000 . 1 . . 66722 . . 225 SER CB . 50000 1 108 . 1 . 1 25 25 SER N N 15 114.4422 0.0000 . 1 . . 43390 . . 225 SER N . 50000 1 109 . 1 . 1 26 26 PHE H H 1 7.3542 0.0000 . 1 . . 43191 . . 226 PHE H . 50000 1 110 . 1 . 1 26 26 PHE C C 13 173.3308 0.0000 . 1 . . 46826 . . 226 PHE C . 50000 1 111 . 1 . 1 26 26 PHE CA C 13 53.5590 0.0000 . 1 . . 45698 . . 226 PHE CA . 50000 1 112 . 1 . 1 26 26 PHE CB C 13 37.1640 0.0000 . 1 . . 66719 . . 226 PHE CB . 50000 1 113 . 1 . 1 26 26 PHE N N 15 118.2889 0.0000 . 1 . . 43192 . . 226 PHE N . 50000 1 114 . 1 . 1 27 27 PRO C C 13 177.6291 0.0000 . 1 . . 46361 . . 227 PRO C . 50000 1 115 . 1 . 1 27 27 PRO CA C 13 63.4627 0.0000 . 1 . . 43073 . . 227 PRO CA . 50000 1 116 . 1 . 1 27 27 PRO CB C 13 31.2309 0.0000 . 1 . . 64674 . . 227 PRO CB . 50000 1 117 . 1 . 1 28 28 LEU H H 1 8.0224 0.0000 . 1 . . 43071 . . 228 LEU H . 50000 1 118 . 1 . 1 28 28 LEU C C 13 175.0378 0.0000 . 1 . . 46679 . . 228 LEU C . 50000 1 119 . 1 . 1 28 28 LEU CA C 13 53.3014 0.0000 . 1 . . 45701 . . 228 LEU CA . 50000 1 120 . 1 . 1 28 28 LEU CB C 13 39.4220 0.0000 . 1 . . 71433 . . 228 LEU CB . 50000 1 121 . 1 . 1 28 28 LEU N N 15 120.8429 0.0000 . 1 . . 43072 . . 228 LEU N . 50000 1 122 . 1 . 1 29 29 THR H H 1 6.7372 0.0000 . 1 . . 43677 . . 229 THR H . 50000 1 123 . 1 . 1 29 29 THR C C 13 174.3409 0.0000 . 1 . . 46994 . . 229 THR C . 50000 1 124 . 1 . 1 29 29 THR CA C 13 59.4515 0.0000 . 1 . . 45047 . . 229 THR CA . 50000 1 125 . 1 . 1 29 29 THR CB C 13 69.1024 0.0000 . 1 . . 71430 . . 229 THR CB . 50000 1 126 . 1 . 1 29 29 THR N N 15 114.3853 0.0000 . 1 . . 43678 . . 229 THR N . 50000 1 127 . 1 . 1 30 30 LYS H H 1 10.6375 0.0000 . 1 . . 46779 . . 230 LYS H . 50000 1 128 . 1 . 1 30 30 LYS C C 13 179.2032 0.0000 . 1 . . 46100 . . 230 LYS C . 50000 1 129 . 1 . 1 30 30 LYS CA C 13 60.0293 0.0000 . 1 . . 45857 . . 230 LYS CA . 50000 1 130 . 1 . 1 30 30 LYS CB C 13 30.6347 0.0000 . 1 . . 64686 . . 230 LYS CB . 50000 1 131 . 1 . 1 30 30 LYS N N 15 125.7399 0.0000 . 1 . . 46780 . . 230 LYS N . 50000 1 132 . 1 . 1 31 31 ALA H H 1 9.0524 0.0000 . 1 . . 47247 . . 231 ALA H . 50000 1 133 . 1 . 1 31 31 ALA C C 13 181.3723 0.0000 . 1 . . 45989 . . 231 ALA C . 50000 1 134 . 1 . 1 31 31 ALA CA C 13 54.4955 0.0000 . 1 . . 45614 . . 231 ALA CA . 50000 1 135 . 1 . 1 31 31 ALA CB C 13 17.1422 0.0000 . 1 . . 71424 . . 231 ALA CB . 50000 1 136 . 1 . 1 31 31 ALA N N 15 120.4761 0.0000 . 1 . . 47248 . . 231 ALA N . 50000 1 137 . 1 . 1 32 32 LYS H H 1 7.6261 0.0000 . 1 . . 45996 . . 232 LYS H . 50000 1 138 . 1 . 1 32 32 LYS C C 13 178.7228 0.0000 . 1 . . 50962 . . 232 LYS C . 50000 1 139 . 1 . 1 32 32 LYS CA C 13 58.6838 0.0000 . 1 . . 50958 . . 232 LYS CA . 50000 1 140 . 1 . 1 32 32 LYS CB C 13 31.6585 0.0000 . 1 . . 71421 . . 232 LYS CB . 50000 1 141 . 1 . 1 32 32 LYS N N 15 118.9058 0.0000 . 1 . . 45997 . . 232 LYS N . 50000 1 142 . 1 . 1 33 33 ALA H H 1 8.1308 0.0000 . 1 . . 46200 . . 233 ALA H . 50000 1 143 . 1 . 1 33 33 ALA C C 13 179.8157 0.0000 . 1 . . 47603 . . 233 ALA C . 50000 1 144 . 1 . 1 33 33 ALA CA C 13 54.8277 0.0000 . 1 . . 43595 . . 233 ALA CA . 50000 1 145 . 1 . 1 33 33 ALA CB C 13 17.8598 0.0000 . 1 . . 64713 . . 233 ALA CB . 50000 1 146 . 1 . 1 33 33 ALA N N 15 122.5598 0.0000 . 1 . . 46201 . . 233 ALA N . 50000 1 147 . 1 . 1 34 34 ARG H H 1 8.9863 0.0000 . 1 . . 43593 . . 234 ARG H . 50000 1 148 . 1 . 1 34 34 ARG C C 13 179.4427 0.0000 . 1 . . 47111 . . 234 ARG C . 50000 1 149 . 1 . 1 34 34 ARG CA C 13 57.0700 0.0000 . 1 . . 43427 . . 234 ARG CA . 50000 1 150 . 1 . 1 34 34 ARG CB C 13 27.2874 0.0000 . 1 . . 71415 . . 234 ARG CB . 50000 1 151 . 1 . 1 34 34 ARG N N 15 114.9703 0.0000 . 1 . . 43594 . . 234 ARG N . 50000 1 152 . 1 . 1 35 35 ALA H H 1 7.6160 0.0000 . 1 . . 43425 . . 235 ALA H . 50000 1 153 . 1 . 1 35 35 ALA C C 13 179.6774 0.0000 . 1 . . 46058 . . 235 ALA C . 50000 1 154 . 1 . 1 35 35 ALA CA C 13 54.4423 0.0000 . 1 . . 45608 . . 235 ALA CA . 50000 1 155 . 1 . 1 35 35 ALA CB C 13 16.7884 0.0000 . 1 . . 64725 . . 235 ALA CB . 50000 1 156 . 1 . 1 35 35 ALA N N 15 122.8158 0.0000 . 1 . . 43426 . . 235 ALA N . 50000 1 157 . 1 . 1 36 36 ILE H H 1 7.5226 0.0000 . 1 . . 43617 . . 236 ILE H . 50000 1 158 . 1 . 1 36 36 ILE C C 13 179.1513 0.0000 . 1 . . 49161 . . 236 ILE C . 50000 1 159 . 1 . 1 36 36 ILE CA C 13 64.1927 0.0000 . 1 . . 49157 . . 236 ILE CA . 50000 1 160 . 1 . 1 36 36 ILE CB C 13 37.1815 0.0000 . 1 . . 64731 . . 236 ILE CB . 50000 1 161 . 1 . 1 36 36 ILE N N 15 118.4645 0.0000 . 1 . . 43618 . . 236 ILE N . 50000 1 162 . 1 . 1 37 37 LEU H H 1 8.0334 0.0000 . 1 . . 43674 . . 237 LEU H . 50000 1 163 . 1 . 1 37 37 LEU C C 13 178.3970 0.0000 . 1 . . 46280 . . 237 LEU C . 50000 1 164 . 1 . 1 37 37 LEU CA C 13 56.8238 0.0000 . 1 . . 45374 . . 237 LEU CA . 50000 1 165 . 1 . 1 37 37 LEU CB C 13 41.7913 0.0000 . 1 . . 64737 . . 237 LEU CB . 50000 1 166 . 1 . 1 37 37 LEU N N 15 119.0355 0.0000 . 1 . . 43675 . . 237 LEU N . 50000 1 167 . 1 . 1 38 38 THR H H 1 7.8129 0.0000 . 1 . . 43473 . . 238 THR H . 50000 1 168 . 1 . 1 38 38 THR C C 13 175.5467 0.0000 . 1 . . 46664 . . 238 THR C . 50000 1 169 . 1 . 1 38 38 THR CA C 13 61.3518 0.0000 . 1 . . 44894 . . 238 THR CA . 50000 1 170 . 1 . 1 38 38 THR CB C 13 69.4030 0.0000 . 1 . . 64740 . . 238 THR CB . 50000 1 171 . 1 . 1 38 38 THR N N 15 107.4013 0.0000 . 1 . . 43474 . . 238 THR N . 50000 1 172 . 1 . 1 39 39 GLY H H 1 7.5548 0.0000 . 1 . . 43182 . . 239 GLY H . 50000 1 173 . 1 . 1 39 39 GLY C C 13 174.6862 0.0000 . 1 . . 47003 . . 239 GLY C . 50000 1 174 . 1 . 1 39 39 GLY CA C 13 45.7155 0.0000 . 1 . . 45800 . . 239 GLY CA . 50000 1 175 . 1 . 1 39 39 GLY N N 15 110.2967 0.0000 . 1 . . 43183 . . 239 GLY N . 50000 1 176 . 1 . 1 40 40 LYS H H 1 8.2077 0.0000 . 1 . . 43725 . . 240 LYS H . 50000 1 177 . 1 . 1 40 40 LYS C C 13 176.9649 0.0000 . 1 . . 46448 . . 240 LYS C . 50000 1 178 . 1 . 1 40 40 LYS CA C 13 55.3615 0.0000 . 1 . . 45500 . . 240 LYS CA . 50000 1 179 . 1 . 1 40 40 LYS CB C 13 31.4038 0.0000 . 1 . . 64749 . . 240 LYS CB . 50000 1 180 . 1 . 1 40 40 LYS N N 15 120.1496 0.0000 . 1 . . 43726 . . 240 LYS N . 50000 1 181 . 1 . 1 41 41 THR H H 1 7.8433 0.0000 . 1 . . 43131 . . 241 THR H . 50000 1 182 . 1 . 1 41 41 THR C C 13 174.7946 0.0000 . 1 . . 46733 . . 241 THR C . 50000 1 183 . 1 . 1 41 41 THR CA C 13 60.5873 0.0000 . 1 . . 44972 . . 241 THR CA . 50000 1 184 . 1 . 1 41 41 THR CB C 13 68.7058 0.0000 . 1 . . 71397 . . 241 THR CB . 50000 1 185 . 1 . 1 41 41 THR N N 15 113.0936 0.0000 . 1 . . 43132 . . 241 THR N . 50000 1 186 . 1 . 1 42 42 THR H H 1 8.1955 0.0000 . 1 . . 43218 . . 242 THR H . 50000 1 187 . 1 . 1 42 42 THR C C 13 174.9304 0.0000 . 1 . . 46718 . . 242 THR C . 50000 1 188 . 1 . 1 42 42 THR CA C 13 61.5976 0.0000 . 1 . . 44888 . . 242 THR CA . 50000 1 189 . 1 . 1 42 42 THR CB C 13 68.8269 0.0000 . 1 . . 71394 . . 242 THR CB . 50000 1 190 . 1 . 1 42 42 THR N N 15 115.0085 0.0000 . 1 . . 43219 . . 242 THR N . 50000 1 191 . 1 . 1 43 43 ASP H H 1 8.3207 0.0000 . 1 . . 43161 . . 243 ASP H . 50000 1 192 . 1 . 1 43 43 ASP C C 13 175.7117 0.0000 . 1 . . 46712 . . 243 ASP C . 50000 1 193 . 1 . 1 43 43 ASP CA C 13 54.2254 0.0000 . 1 . . 45647 . . 243 ASP CA . 50000 1 194 . 1 . 1 43 43 ASP CB C 13 40.0360 0.0000 . 1 . . 64767 . . 243 ASP CB . 50000 1 195 . 1 . 1 43 43 ASP N N 15 120.9795 0.0000 . 1 . . 43162 . . 243 ASP N . 50000 1 196 . 1 . 1 44 44 LYS H H 1 7.8477 0.0000 . 1 . . 43641 . . 244 LYS H . 50000 1 197 . 1 . 1 44 44 LYS C C 13 175.8569 0.0000 . 1 . . 46646 . . 244 LYS C . 50000 1 198 . 1 . 1 44 44 LYS CA C 13 54.8124 0.0000 . 1 . . 45923 . . 244 LYS CA . 50000 1 199 . 1 . 1 44 44 LYS CB C 13 31.9429 0.0000 . 1 . . 71388 . . 244 LYS CB . 50000 1 200 . 1 . 1 44 44 LYS N N 15 119.4050 0.0000 . 1 . . 43642 . . 244 LYS N . 50000 1 201 . 1 . 1 45 45 SER H H 1 8.1089 0.0000 . 1 . . 43587 . . 245 SER H . 50000 1 202 . 1 . 1 45 45 SER C C 13 172.0881 0.0000 . 1 . . 46874 . . 245 SER C . 50000 1 203 . 1 . 1 45 45 SER CA C 13 56.2942 0.0000 . 1 . . 45428 . . 245 SER CA . 50000 1 204 . 1 . 1 45 45 SER CB C 13 62.2660 0.0000 . 1 . . 67666 . . 245 SER CB . 50000 1 205 . 1 . 1 45 45 SER N N 15 119.1267 0.0000 . 1 . . 43588 . . 245 SER N . 50000 1 206 . 1 . 1 46 46 PRO C C 13 175.8147 0.0000 . 1 . . 46598 . . 246 PRO C . 50000 1 207 . 1 . 1 46 46 PRO CA C 13 62.1916 0.0000 . 1 . . 43121 . . 246 PRO CA . 50000 1 208 . 1 . 1 46 46 PRO CB C 13 30.6808 0.0000 . 1 . . 64776 . . 246 PRO CB . 50000 1 209 . 1 . 1 47 47 PHE H H 1 8.0852 0.0000 . 1 . . 43119 . . 247 PHE H . 50000 1 210 . 1 . 1 47 47 PHE C C 13 174.7040 0.0000 . 1 . . 51006 . . 247 PHE C . 50000 1 211 . 1 . 1 47 47 PHE CA C 13 58.0438 0.0000 . 1 . . 51002 . . 247 PHE CA . 50000 1 212 . 1 . 1 47 47 PHE CB C 13 38.6648 0.0000 . 1 . . 64782 . . 247 PHE CB . 50000 1 213 . 1 . 1 47 47 PHE N N 15 124.5388 0.0000 . 1 . . 43120 . . 247 PHE N . 50000 1 214 . 1 . 1 48 48 VAL H H 1 7.8886 0.0000 . 1 . . 49233 . . 248 VAL H . 50000 1 215 . 1 . 1 48 48 VAL C C 13 174.3519 0.0000 . 1 . . 49353 . . 248 VAL C . 50000 1 216 . 1 . 1 48 48 VAL CA C 13 62.4607 0.0000 . 1 . . 49376 . . 248 VAL CA . 50000 1 217 . 1 . 1 48 48 VAL CB C 13 30.6754 0.0000 . 1 . . 71517 . . 248 VAL CB . 50000 1 218 . 1 . 1 48 48 VAL N N 15 129.6678 0.0000 . 1 . . 49234 . . 248 VAL N . 50000 1 219 . 1 . 1 49 49 ILE H H 1 9.1552 0.0000 . 1 . . 43101 . . 249 ILE H . 50000 1 220 . 1 . 1 49 49 ILE C C 13 173.5626 0.0000 . 1 . . 51013 . . 249 ILE C . 50000 1 221 . 1 . 1 49 49 ILE CA C 13 60.7312 0.0000 . 1 . . 51009 . . 249 ILE CA . 50000 1 222 . 1 . 1 49 49 ILE CB C 13 37.7023 0.0000 . 1 . . 71514 . . 249 ILE CB . 50000 1 223 . 1 . 1 49 49 ILE N N 15 128.2665 0.0000 . 1 . . 43102 . . 249 ILE N . 50000 1 224 . 1 . 1 50 50 TYR H H 1 7.9447 0.0000 . 1 . . 43194 . . 250 TYR H . 50000 1 225 . 1 . 1 50 50 TYR C C 13 172.9340 0.0000 . 1 . . 51585 . . 250 TYR C . 50000 1 226 . 1 . 1 50 50 TYR CA C 13 54.1756 0.0000 . 1 . . 51589 . . 250 TYR CA . 50000 1 227 . 1 . 1 50 50 TYR CB C 13 39.6965 0.0000 . 1 . . 71505 . . 250 TYR CB . 50000 1 228 . 1 . 1 50 50 TYR N N 15 121.8786 0.0000 . 1 . . 43195 . . 250 TYR N . 50000 1 229 . 1 . 1 51 51 ASP H H 1 7.0193 0.0000 . 1 . . 43635 . . 251 ASP H . 50000 1 230 . 1 . 1 51 51 ASP C C 13 173.8700 0.0000 . 1 . . 46808 . . 251 ASP C . 50000 1 231 . 1 . 1 51 51 ASP CA C 13 51.7826 0.0000 . 1 . . 45899 . . 251 ASP CA . 50000 1 232 . 1 . 1 51 51 ASP CB C 13 38.6013 0.0000 . 1 . . 71502 . . 251 ASP CB . 50000 1 233 . 1 . 1 51 51 ASP N N 15 120.6785 0.0000 . 1 . . 43636 . . 251 ASP N . 50000 1 234 . 1 . 1 52 52 MET H H 1 8.1938 0.0000 . 1 . . 43698 . . 252 MET H . 50000 1 235 . 1 . 1 52 52 MET C C 13 178.0001 0.0000 . 1 . . 46325 . . 252 MET C . 50000 1 236 . 1 . 1 52 52 MET CA C 13 55.8172 0.0000 . 1 . . 45479 . . 252 MET CA . 50000 1 237 . 1 . 1 52 52 MET CB C 13 28.6287 0.0000 . 1 . . 71499 . . 252 MET CB . 50000 1 238 . 1 . 1 52 52 MET N N 15 116.1016 0.0000 . 1 . . 43699 . . 252 MET N . 50000 1 239 . 1 . 1 53 53 ASN H H 1 7.6880 0.0000 . 1 . . 43518 . . 253 ASN H . 50000 1 240 . 1 . 1 53 53 ASN C C 13 177.6715 0.0000 . 1 . . 46370 . . 253 ASN C . 50000 1 241 . 1 . 1 53 53 ASN CA C 13 56.1285 0.0000 . 1 . . 45458 . . 253 ASN CA . 50000 1 242 . 1 . 1 53 53 ASN CB C 13 37.4308 0.0000 . 1 . . 71496 . . 253 ASN CB . 50000 1 243 . 1 . 1 53 53 ASN N N 15 117.9528 0.0000 . 1 . . 43519 . . 253 ASN N . 50000 1 244 . 1 . 1 54 54 SER H H 1 8.8321 0.0000 . 1 . . 43509 . . 254 SER H . 50000 1 245 . 1 . 1 54 54 SER CA C 13 61.0287 0.0000 . 1 . . 44909 . . 254 SER CA . 50000 1 246 . 1 . 1 54 54 SER CB C 13 62.0937 0.0000 . 1 . . 64827 . . 254 SER CB . 50000 1 247 . 1 . 1 54 54 SER N N 15 117.1244 0.0000 . 1 . . 43510 . . 254 SER N . 50000 1 248 . 1 . 1 55 55 LEU H H 1 7.7612 0.0000 . 1 . . 44907 . . 255 LEU H . 50000 1 249 . 1 . 1 55 55 LEU C C 13 177.6897 0.0000 . 1 . . 46340 . . 255 LEU C . 50000 1 250 . 1 . 1 55 55 LEU CA C 13 58.2426 0.0000 . 1 . . 45167 . . 255 LEU CA . 50000 1 251 . 1 . 1 55 55 LEU CB C 13 39.8435 0.0000 . 1 . . 71490 . . 255 LEU CB . 50000 1 252 . 1 . 1 55 55 LEU N N 15 124.4535 0.0000 . 1 . . 44908 . . 255 LEU N . 50000 1 253 . 1 . 1 56 56 MET H H 1 7.5462 0.0000 . 1 . . 43338 . . 256 MET H . 50000 1 254 . 1 . 1 56 56 MET C C 13 180.4557 0.0000 . 1 . . 46022 . . 256 MET C . 50000 1 255 . 1 . 1 56 56 MET CA C 13 57.1156 0.0000 . 1 . . 45320 . . 256 MET CA . 50000 1 256 . 1 . 1 56 56 MET CB C 13 30.2596 0.0000 . 1 . . 64839 . . 256 MET CB . 50000 1 257 . 1 . 1 56 56 MET N N 15 114.5404 0.0000 . 1 . . 43339 . . 256 MET N . 50000 1 258 . 1 . 1 57 57 MET H H 1 7.9862 0.0000 . 1 . . 46014 . . 257 MET H . 50000 1 259 . 1 . 1 57 57 MET C C 13 177.7135 0.0000 . 1 . . 46349 . . 257 MET C . 50000 1 260 . 1 . 1 57 57 MET CA C 13 56.9469 0.0000 . 1 . . 45335 . . 257 MET CA . 50000 1 261 . 1 . 1 57 57 MET CB C 13 31.8629 0.0000 . 1 . . 64842 . . 257 MET CB . 50000 1 262 . 1 . 1 57 57 MET N N 15 119.4140 0.0000 . 1 . . 46015 . . 257 MET N . 50000 1 263 . 1 . 1 58 58 GLY H H 1 8.2542 0.0000 . 1 . . 45351 . . 258 GLY H . 50000 1 264 . 1 . 1 58 58 GLY C C 13 174.3997 0.0000 . 1 . . 46775 . . 258 GLY C . 50000 1 265 . 1 . 1 58 58 GLY CA C 13 45.5530 0.0000 . 1 . . 45806 . . 258 GLY CA . 50000 1 266 . 1 . 1 58 58 GLY N N 15 108.3641 0.0000 . 1 . . 45352 . . 258 GLY N . 50000 1 267 . 1 . 1 59 59 GLU H H 1 7.4304 0.0000 . 1 . . 45801 . . 259 GLU H . 50000 1 268 . 1 . 1 59 59 GLU C C 13 176.7023 0.0000 . 1 . . 49169 . . 259 GLU C . 50000 1 269 . 1 . 1 59 59 GLU CA C 13 58.9652 0.0000 . 1 . . 49165 . . 259 GLU CA . 50000 1 270 . 1 . 1 59 59 GLU CB C 13 28.4340 0.0000 . 1 . . 64848 . . 259 GLU CB . 50000 1 271 . 1 . 1 59 59 GLU N N 15 120.8039 0.0000 . 1 . . 45802 . . 259 GLU N . 50000 1 272 . 1 . 1 60 60 ASP H H 1 7.7457 0.0000 . 1 . . 72750 . . 260 ASP H . 50000 1 273 . 1 . 1 60 60 ASP C C 13 176.8784 0.0000 . 1 . . 47480 . . 260 ASP C . 50000 1 274 . 1 . 1 60 60 ASP CA C 13 54.5437 0.0000 . 1 . . 43628 . . 260 ASP CA . 50000 1 275 . 1 . 1 60 60 ASP CB C 13 40.2920 0.0000 . 1 . . 65660 . . 260 ASP CB . 50000 1 276 . 1 . 1 60 60 ASP N N 15 114.9679 0.0000 . 1 . . 72751 . . 260 ASP N . 50000 1 277 . 1 . 1 61 61 LYS H H 1 7.4009 0.0000 . 1 . . 45507 . . 261 LYS H . 50000 1 278 . 1 . 1 61 61 LYS C C 13 176.2870 0.0000 . 1 . . 46952 . . 261 LYS C . 50000 1 279 . 1 . 1 61 61 LYS CA C 13 55.5701 0.0000 . 1 . . 45509 . . 261 LYS CA . 50000 1 280 . 1 . 1 61 61 LYS CB C 13 32.3519 0.0000 . 1 . . 71562 . . 261 LYS CB . 50000 1 281 . 1 . 1 61 61 LYS N N 15 117.3083 0.0000 . 1 . . 45508 . . 261 LYS N . 50000 1 282 . 1 . 1 62 62 ILE H H 1 7.5763 0.0000 . 1 . . 45009 . . 262 ILE H . 50000 1 283 . 1 . 1 62 62 ILE C C 13 174.3928 0.0000 . 1 . . 46763 . . 262 ILE C . 50000 1 284 . 1 . 1 62 62 ILE CA C 13 60.0978 0.0000 . 1 . . 45011 . . 262 ILE CA . 50000 1 285 . 1 . 1 62 62 ILE CB C 13 38.0969 0.0000 . 1 . . 65672 . . 262 ILE CB . 50000 1 286 . 1 . 1 62 62 ILE N N 15 118.7139 0.0000 . 1 . . 45010 . . 262 ILE N . 50000 1 287 . 1 . 1 63 63 LYS H H 1 7.9605 0.0000 . 1 . . 46755 . . 263 LYS H . 50000 1 288 . 1 . 1 63 63 LYS C C 13 175.9446 0.0000 . 1 . . 49211 . . 263 LYS C . 50000 1 289 . 1 . 1 63 63 LYS CA C 13 54.6485 0.0000 . 1 . . 49215 . . 263 LYS CA . 50000 1 290 . 1 . 1 63 63 LYS N N 15 122.9790 0.0000 . 1 . . 46756 . . 263 LYS N . 50000 1 291 . 1 . 1 64 64 PHE H H 1 8.1630 0.0000 . 1 . . 45276 . . 264 PHE H . 50000 1 292 . 1 . 1 64 64 PHE C C 13 176.2648 0.0000 . 1 . . 51754 . . 264 PHE C . 50000 1 293 . 1 . 1 64 64 PHE CA C 13 57.3599 0.0000 . 1 . . 45278 . . 264 PHE CA . 50000 1 294 . 1 . 1 64 64 PHE CB C 13 38.7154 0.0000 . 1 . . 71553 . . 264 PHE CB . 50000 1 295 . 1 . 1 64 64 PHE N N 15 123.2139 0.0000 . 1 . . 45277 . . 264 PHE N . 50000 1 296 . 1 . 1 65 65 LYS H H 1 8.6337 0.0000 . 1 . . 47831 . . 265 LYS H . 50000 1 297 . 1 . 1 65 65 LYS C C 13 176.3792 0.0000 . 1 . . 47839 . . 265 LYS C . 50000 1 298 . 1 . 1 65 65 LYS CA C 13 56.1953 0.0000 . 1 . . 47836 . . 265 LYS CA . 50000 1 299 . 1 . 1 65 65 LYS CB C 13 31.6548 0.0000 . 1 . . 65690 . . 265 LYS CB . 50000 1 300 . 1 . 1 65 65 LYS N N 15 122.7715 0.0000 . 1 . . 47832 . . 265 LYS N . 50000 1 301 . 1 . 1 66 66 HIS H H 1 8.4484 0.0000 . 1 . . 47304 . . 266 HIS H . 50000 1 302 . 1 . 1 66 66 HIS C C 13 174.2799 0.0000 . 1 . . 46796 . . 266 HIS C . 50000 1 303 . 1 . 1 66 66 HIS CA C 13 54.6770 0.0000 . 1 . . 45584 . . 266 HIS CA . 50000 1 304 . 1 . 1 66 66 HIS CB C 13 28.3494 0.0000 . 1 . . 65696 . . 266 HIS CB . 50000 1 305 . 1 . 1 66 66 HIS N N 15 119.7566 0.0000 . 1 . . 47305 . . 266 HIS N . 50000 1 306 . 1 . 1 67 67 ILE H H 1 8.1601 0.0000 . 1 . . 47103 . . 267 ILE H . 50000 1 307 . 1 . 1 67 67 ILE C C 13 175.9395 0.0000 . 1 . . 46601 . . 267 ILE C . 50000 1 308 . 1 . 1 67 67 ILE CA C 13 60.1745 0.0000 . 1 . . 44978 . . 267 ILE CA . 50000 1 309 . 1 . 1 67 67 ILE CB C 13 37.9153 0.0000 . 1 . . 65702 . . 267 ILE CB . 50000 1 310 . 1 . 1 67 67 ILE N N 15 123.1023 0.0000 . 1 . . 47104 . . 267 ILE N . 50000 1 311 . 1 . 1 68 68 THR H H 1 8.2895 0.0000 . 1 . . 43221 . . 268 THR H . 50000 1 312 . 1 . 1 68 68 THR C C 13 172.2827 0.0000 . 1 . . 46868 . . 268 THR C . 50000 1 313 . 1 . 1 68 68 THR CA C 13 59.2303 0.0000 . 1 . . 45056 . . 268 THR CA . 50000 1 314 . 1 . 1 68 68 THR CB C 13 69.1003 0.0000 . 1 . . 65705 . . 268 THR CB . 50000 1 315 . 1 . 1 68 68 THR N N 15 122.5609 0.0000 . 1 . . 43222 . . 268 THR N . 50000 1 316 . 1 . 1 69 69 PRO C C 13 176.5769 0.0000 . 1 . . 46502 . . 269 PRO C . 50000 1 317 . 1 . 1 69 69 PRO CA C 13 62.2337 0.0000 . 1 . . 43763 . . 269 PRO CA . 50000 1 318 . 1 . 1 69 69 PRO CB C 13 30.9318 0.0000 . 1 . . 65480 . . 269 PRO CB . 50000 1 319 . 1 . 1 70 70 LEU H H 1 7.8862 0.0000 . 1 . . 43761 . . 270 LEU H . 50000 1 320 . 1 . 1 70 70 LEU C C 13 177.4039 0.0000 . 1 . . 46397 . . 270 LEU C . 50000 1 321 . 1 . 1 70 70 LEU CA C 13 54.9467 0.0000 . 1 . . 45581 . . 270 LEU CA . 50000 1 322 . 1 . 1 70 70 LEU CB C 13 41.1419 0.0000 . 1 . . 65468 . . 270 LEU CB . 50000 1 323 . 1 . 1 70 70 LEU N N 15 122.1536 0.0000 . 1 . . 43762 . . 270 LEU N . 50000 1 324 . 1 . 1 71 71 GLN H H 1 8.0505 0.0000 . 1 . . 43584 . . 271 GLN H . 50000 1 325 . 1 . 1 71 71 GLN C C 13 175.7171 0.0000 . 1 . . 46643 . . 271 GLN C . 50000 1 326 . 1 . 1 71 71 GLN CA C 13 55.2725 0.0000 . 1 . . 45533 . . 271 GLN CA . 50000 1 327 . 1 . 1 71 71 GLN CB C 13 28.4944 0.0000 . 1 . . 65459 . . 271 GLN CB . 50000 1 328 . 1 . 1 71 71 GLN N N 15 119.4100 0.0000 . 1 . . 43585 . . 271 GLN N . 50000 1 329 . 1 . 1 72 72 GLU H H 1 8.2409 0.0000 . 1 . . 43554 . . 272 GLU H . 50000 1 330 . 1 . 1 72 72 GLU C C 13 176.1606 0.0000 . 1 . . 46571 . . 272 GLU C . 50000 1 331 . 1 . 1 72 72 GLU CA C 13 55.9502 0.0000 . 1 . . 45884 . . 272 GLU CA . 50000 1 332 . 1 . 1 72 72 GLU CB C 13 29.0464 0.0000 . 1 . . 65453 . . 272 GLU CB . 50000 1 333 . 1 . 1 72 72 GLU N N 15 121.7757 0.0000 . 1 . . 43555 . . 272 GLU N . 50000 1 334 . 1 . 1 73 73 GLN H H 1 8.3187 0.0000 . 1 . . 43503 . . 273 GLN H . 50000 1 335 . 1 . 1 73 73 GLN C C 13 176.0253 0.0000 . 1 . . 51441 . . 273 GLN C . 50000 1 336 . 1 . 1 73 73 GLN CA C 13 54.9956 0.0000 . 1 . . 51437 . . 273 GLN CA . 50000 1 337 . 1 . 1 73 73 GLN CB C 13 28.9717 0.0000 . 1 . . 71574 . . 273 GLN CB . 50000 1 338 . 1 . 1 73 73 GLN N N 15 121.5902 0.0000 . 1 . . 43504 . . 273 GLN N . 50000 1 339 . 1 . 1 74 74 SER H H 1 8.4941 0.0000 . 1 . . 43575 . . 274 SER H . 50000 1 340 . 1 . 1 74 74 SER C C 13 174.9074 0.0000 . 1 . . 46586 . . 274 SER C . 50000 1 341 . 1 . 1 74 74 SER CA C 13 57.9973 0.0000 . 1 . . 45215 . . 274 SER CA . 50000 1 342 . 1 . 1 74 74 SER CB C 13 62.9831 0.0000 . 1 . . 65483 . . 274 SER CB . 50000 1 343 . 1 . 1 74 74 SER N N 15 116.8708 0.0000 . 1 . . 43576 . . 274 SER N . 50000 1 344 . 1 . 1 75 75 LYS H H 1 8.4734 0.0000 . 1 . . 43347 . . 275 LYS H . 50000 1 345 . 1 . 1 75 75 LYS C C 13 176.7669 0.0000 . 1 . . 46475 . . 275 LYS C . 50000 1 346 . 1 . 1 75 75 LYS CA C 13 56.4991 0.0000 . 1 . . 45392 . . 275 LYS CA . 50000 1 347 . 1 . 1 75 75 LYS CB C 13 31.5681 0.0000 . 1 . . 65489 . . 275 LYS CB . 50000 1 348 . 1 . 1 75 75 LYS N N 15 123.5289 0.0000 . 1 . . 43348 . . 275 LYS N . 50000 1 349 . 1 . 1 76 76 GLU H H 1 8.4068 0.0000 . 1 . . 43557 . . 276 GLU H . 50000 1 350 . 1 . 1 76 76 GLU C C 13 176.6526 0.0000 . 1 . . 75101 . . 276 GLU C . 50000 1 351 . 1 . 1 76 76 GLU CA C 13 55.4009 0.0000 . 1 . . 75104 . . 276 GLU CA . 50000 1 352 . 1 . 1 76 76 GLU CB C 13 28.0815 0.0000 . 1 . . 65492 . . 276 GLU CB . 50000 1 353 . 1 . 1 76 76 GLU N N 15 120.3230 0.0000 . 1 . . 43558 . . 276 GLU N . 50000 1 354 . 1 . 1 81 81 ILE C C 13 179.4164 0.0000 . 1 . . 75107 . . 281 ILE C . 50000 1 355 . 1 . 1 81 81 ILE CA C 13 57.7516 0.0000 . 1 . . 75110 . . 281 ILE CA . 50000 1 356 . 1 . 1 82 82 PHE H H 1 7.6153 0.0000 . 1 . . 70132 . . 282 PHE H . 50000 1 357 . 1 . 1 82 82 PHE CA C 13 57.7489 0.0000 . 1 . . 64906 . . 282 PHE CA . 50000 1 358 . 1 . 1 82 82 PHE CB C 13 40.7857 0.0000 . 1 . . 71703 . . 282 PHE CB . 50000 1 359 . 1 . 1 82 82 PHE N N 15 119.3140 0.0000 . 1 . . 70133 . . 282 PHE N . 50000 1 360 . 1 . 1 83 83 GLN H H 1 7.8981 0.0000 . 1 . . 50599 . . 283 GLN H . 50000 1 361 . 1 . 1 83 83 GLN C C 13 179.8472 0.0000 . 1 . . 64923 . . 283 GLN C . 50000 1 362 . 1 . 1 83 83 GLN CA C 13 58.7404 0.0000 . 1 . . 64927 . . 283 GLN CA . 50000 1 363 . 1 . 1 83 83 GLN CB C 13 27.4046 0.0000 . 1 . . 64911 . . 283 GLN CB . 50000 1 364 . 1 . 1 83 83 GLN N N 15 119.0125 0.0000 . 1 . . 50600 . . 283 GLN N . 50000 1 365 . 1 . 1 84 84 GLY H H 1 8.3869 0.0000 . 1 . . 45138 . . 284 GLY H . 50000 1 366 . 1 . 1 84 84 GLY C C 13 176.1664 0.0000 . 1 . . 46565 . . 284 GLY C . 50000 1 367 . 1 . 1 84 84 GLY CA C 13 46.7050 0.0000 . 1 . . 45785 . . 284 GLY CA . 50000 1 368 . 1 . 1 84 84 GLY N N 15 107.0799 0.0000 . 1 . . 45139 . . 284 GLY N . 50000 1 369 . 1 . 1 85 85 CYS C C 13 177.0189 0.0000 . 1 . . 47057 . . 285 CYS C . 50000 1 370 . 1 . 1 85 85 CYS CA C 13 55.8475 0.0000 . 1 . . 51613 . . 285 CYS CA . 50000 1 371 . 1 . 1 85 85 CYS CB C 13 32.3564 0.0000 . 1 . . 71385 . . 285 CYS CB . 50000 1 372 . 1 . 1 86 86 GLN H H 1 8.4474 0.0000 . 1 . . 45075 . . 286 GLN H . 50000 1 373 . 1 . 1 86 86 GLN C C 13 179.2900 0.0000 . 1 . . 46103 . . 286 GLN C . 50000 1 374 . 1 . 1 86 86 GLN CA C 13 59.0069 0.0000 . 1 . . 45077 . . 286 GLN CA . 50000 1 375 . 1 . 1 86 86 GLN CB C 13 27.4662 0.0000 . 1 . . 71379 . . 286 GLN CB . 50000 1 376 . 1 . 1 86 86 GLN N N 15 124.5628 0.0000 . 1 . . 45076 . . 286 GLN N . 50000 1 377 . 1 . 1 87 87 PHE H H 1 8.4058 0.0000 . 1 . . 47914 . . 287 PHE H . 50000 1 378 . 1 . 1 87 87 PHE C C 13 179.0722 0.0000 . 1 . . 47919 . . 287 PHE C . 50000 1 379 . 1 . 1 87 87 PHE CA C 13 60.4526 0.0000 . 1 . . 47916 . . 287 PHE CA . 50000 1 380 . 1 . 1 87 87 PHE CB C 13 37.6053 0.0000 . 1 . . 71351 . . 287 PHE CB . 50000 1 381 . 1 . 1 87 87 PHE N N 15 122.2855 0.0000 . 1 . . 47915 . . 287 PHE N . 50000 1 382 . 1 . 1 88 88 ARG H H 1 8.4785 0.0000 . 1 . . 44949 . . 288 ARG H . 50000 1 383 . 1 . 1 88 88 ARG C C 13 178.4766 0.0000 . 1 . . 46916 . . 288 ARG C . 50000 1 384 . 1 . 1 88 88 ARG CA C 13 58.3351 0.0000 . 1 . . 45173 . . 288 ARG CA . 50000 1 385 . 1 . 1 88 88 ARG CB C 13 28.5372 0.0000 . 1 . . 65303 . . 288 ARG CB . 50000 1 386 . 1 . 1 88 88 ARG N N 15 120.0359 0.0000 . 1 . . 44950 . . 288 ARG N . 50000 1 387 . 1 . 1 89 89 SER H H 1 7.7757 0.0000 . 1 . . 48755 . . 289 SER H . 50000 1 388 . 1 . 1 89 89 SER CA C 13 59.9457 0.0000 . 1 . . 48757 . . 289 SER CA . 50000 1 389 . 1 . 1 89 89 SER CB C 13 62.6134 0.0000 . 1 . . 71345 . . 289 SER CB . 50000 1 390 . 1 . 1 89 89 SER N N 15 114.1725 0.0000 . 1 . . 48756 . . 289 SER N . 50000 1 391 . 1 . 1 90 90 VAL H H 1 7.2779 0.0000 . 1 . . 43224 . . 290 VAL H . 50000 1 392 . 1 . 1 90 90 VAL C C 13 177.1744 0.0000 . 1 . . 46427 . . 290 VAL C . 50000 1 393 . 1 . 1 90 90 VAL CA C 13 66.7952 0.0000 . 1 . . 44603 . . 290 VAL CA . 50000 1 394 . 1 . 1 90 90 VAL CB C 13 30.2138 0.0000 . 1 . . 65285 . . 290 VAL CB . 50000 1 395 . 1 . 1 90 90 VAL N N 15 123.4273 0.0000 . 1 . . 43225 . . 290 VAL N . 50000 1 396 . 1 . 1 91 91 GLU H H 1 7.5197 0.0000 . 1 . . 42894 . . 291 GLU H . 50000 1 397 . 1 . 1 91 91 GLU C C 13 178.0217 0.0000 . 1 . . 46316 . . 291 GLU C . 50000 1 398 . 1 . 1 91 91 GLU CA C 13 59.0240 0.0000 . 1 . . 45095 . . 291 GLU CA . 50000 1 399 . 1 . 1 91 91 GLU CB C 13 27.6685 0.0000 . 1 . . 71339 . . 291 GLU CB . 50000 1 400 . 1 . 1 91 91 GLU N N 15 118.6339 0.0000 . 1 . . 42895 . . 291 GLU N . 50000 1 401 . 1 . 1 92 92 ALA H H 1 7.4204 0.0000 . 1 . . 43278 . . 292 ALA H . 50000 1 402 . 1 . 1 92 92 ALA C C 13 179.7080 0.0000 . 1 . . 46040 . . 292 ALA C . 50000 1 403 . 1 . 1 92 92 ALA CA C 13 54.2626 0.0000 . 1 . . 45641 . . 292 ALA CA . 50000 1 404 . 1 . 1 92 92 ALA CB C 13 16.0849 0.0000 . 1 . . 65273 . . 292 ALA CB . 50000 1 405 . 1 . 1 92 92 ALA N N 15 122.1786 0.0000 . 1 . . 43279 . . 292 ALA N . 50000 1 406 . 1 . 1 93 93 VAL H H 1 8.3823 0.0000 . 1 . . 45651 . . 293 VAL H . 50000 1 407 . 1 . 1 93 93 VAL C C 13 179.4321 0.0000 . 1 . . 51625 . . 293 VAL C . 50000 1 408 . 1 . 1 93 93 VAL CA C 13 66.6524 0.0000 . 1 . . 44621 . . 293 VAL CA . 50000 1 409 . 1 . 1 93 93 VAL CB C 13 29.9219 0.0000 . 1 . . 71333 . . 293 VAL CB . 50000 1 410 . 1 . 1 93 93 VAL N N 15 118.2424 0.0000 . 1 . . 45652 . . 293 VAL N . 50000 1 411 . 1 . 1 94 94 GLN H H 1 8.3687 0.0000 . 1 . . 45030 . . 294 GLN H . 50000 1 412 . 1 . 1 94 94 GLN C C 13 178.3951 0.0000 . 1 . . 46271 . . 294 GLN C . 50000 1 413 . 1 . 1 94 94 GLN CA C 13 59.4228 0.0000 . 1 . . 45035 . . 294 GLN CA . 50000 1 414 . 1 . 1 94 94 GLN CB C 13 26.3955 0.0000 . 1 . . 71330 . . 294 GLN CB . 50000 1 415 . 1 . 1 94 94 GLN N N 15 121.5392 0.0000 . 1 . . 45031 . . 294 GLN N . 50000 1 416 . 1 . 1 95 95 GLU H H 1 8.0764 0.0000 . 1 . . 46905 . . 295 GLU H . 50000 1 417 . 1 . 1 95 95 GLU C C 13 178.1025 0.0000 . 1 . . 51740 . . 295 GLU C . 50000 1 418 . 1 . 1 95 95 GLU CA C 13 58.3106 0.0000 . 1 . . 51744 . . 295 GLU CA . 50000 1 419 . 1 . 1 95 95 GLU CB C 13 26.8047 0.0000 . 1 . . 65258 . . 295 GLU CB . 50000 1 420 . 1 . 1 95 95 GLU N N 15 121.5545 0.0000 . 1 . . 46906 . . 295 GLU N . 50000 1 421 . 1 . 1 96 96 ILE H H 1 8.8824 0.0000 . 1 . . 43335 . . 296 ILE H . 50000 1 422 . 1 . 1 96 96 ILE C C 13 177.2712 0.0000 . 1 . . 51736 . . 296 ILE C . 50000 1 423 . 1 . 1 96 96 ILE CA C 13 64.8943 0.0000 . 1 . . 51734 . . 296 ILE CA . 50000 1 424 . 1 . 1 96 96 ILE CB C 13 37.1233 0.0000 . 1 . . 71324 . . 296 ILE CB . 50000 1 425 . 1 . 1 96 96 ILE N N 15 119.1597 0.0000 . 1 . . 43336 . . 296 ILE N . 50000 1 426 . 1 . 1 97 97 THR H H 1 8.0269 0.0000 . 1 . . 42975 . . 297 THR H . 50000 1 427 . 1 . 1 97 97 THR CA C 13 67.4762 0.0000 . 1 . . 51675 . . 297 THR CA . 50000 1 428 . 1 . 1 97 97 THR CB C 13 66.7352 0.0000 . 1 . . 71321 . . 297 THR CB . 50000 1 429 . 1 . 1 97 97 THR N N 15 117.5953 0.0000 . 1 . . 42976 . . 297 THR N . 50000 1 430 . 1 . 1 98 98 GLU H H 1 7.7804 0.0000 . 1 . . 42861 . . 298 GLU H . 50000 1 431 . 1 . 1 98 98 GLU CA C 13 58.5605 0.0000 . 1 . . 51672 . . 298 GLU CA . 50000 1 432 . 1 . 1 98 98 GLU CB C 13 27.7892 0.0000 . 1 . . 65309 . . 298 GLU CB . 50000 1 433 . 1 . 1 98 98 GLU N N 15 120.6113 0.0000 . 1 . . 42862 . . 298 GLU N . 50000 1 434 . 1 . 1 99 99 TYR H H 1 8.2140 0.0000 . 1 . . 45141 . . 299 TYR H . 50000 1 435 . 1 . 1 99 99 TYR C C 13 178.7388 0.0000 . 1 . . 46205 . . 299 TYR C . 50000 1 436 . 1 . 1 99 99 TYR CA C 13 60.3906 0.0000 . 1 . . 44948 . . 299 TYR CA . 50000 1 437 . 1 . 1 99 99 TYR CB C 13 37.2919 0.0000 . 1 . . 71315 . . 299 TYR CB . 50000 1 438 . 1 . 1 99 99 TYR N N 15 121.2744 0.0000 . 1 . . 45142 . . 299 TYR N . 50000 1 439 . 1 . 1 100 100 ALA H H 1 8.6772 0.0000 . 1 . . 51075 . . 300 ALA H . 50000 1 440 . 1 . 1 100 100 ALA C C 13 178.2993 0.0000 . 1 . . 47708 . . 300 ALA C . 50000 1 441 . 1 . 1 100 100 ALA CA C 13 53.7176 0.0000 . 1 . . 51088 . . 300 ALA CA . 50000 1 442 . 1 . 1 100 100 ALA CB C 13 16.2621 0.0000 . 1 . . 71309 . . 300 ALA CB . 50000 1 443 . 1 . 1 100 100 ALA N N 15 123.8671 0.0000 . 1 . . 51076 . . 300 ALA N . 50000 1 444 . 1 . 1 101 101 LYS H H 1 7.2899 0.0000 . 1 . . 45981 . . 301 LYS H . 50000 1 445 . 1 . 1 101 101 LYS C C 13 178.2930 0.0000 . 1 . . 46292 . . 301 LYS C . 50000 1 446 . 1 . 1 101 101 LYS CA C 13 58.4514 0.0000 . 1 . . 45164 . . 301 LYS CA . 50000 1 447 . 1 . 1 101 101 LYS CB C 13 31.0477 0.0000 . 1 . . 65345 . . 301 LYS CB . 50000 1 448 . 1 . 1 101 101 LYS N N 15 111.9879 0.0000 . 1 . . 45982 . . 301 LYS N . 50000 1 449 . 1 . 1 102 102 SER H H 1 7.8303 0.0000 . 1 . . 51120 . . 302 SER H . 50000 1 450 . 1 . 1 102 102 SER C C 13 174.8938 0.0000 . 1 . . 51188 . . 302 SER C . 50000 1 451 . 1 . 1 102 102 SER CA C 13 58.4960 0.0000 . 1 . . 51122 . . 302 SER CA . 50000 1 452 . 1 . 1 102 102 SER CB C 13 63.2853 0.0000 . 1 . . 65351 . . 302 SER CB . 50000 1 453 . 1 . 1 102 102 SER N N 15 115.9010 0.0000 . 1 . . 51121 . . 302 SER N . 50000 1 454 . 1 . 1 103 103 ILE H H 1 7.7552 0.0000 . 1 . . 49230 . . 303 ILE H . 50000 1 455 . 1 . 1 103 103 ILE C C 13 174.5725 0.0000 . 1 . . 49329 . . 303 ILE C . 50000 1 456 . 1 . 1 103 103 ILE CA C 13 59.7226 0.0000 . 1 . . 49313 . . 303 ILE CA . 50000 1 457 . 1 . 1 103 103 ILE CB C 13 36.9835 0.0000 . 1 . . 65354 . . 303 ILE CB . 50000 1 458 . 1 . 1 103 103 ILE N N 15 127.9783 0.0000 . 1 . . 49231 . . 303 ILE N . 50000 1 459 . 1 . 1 104 104 PRO C C 13 176.2078 0.0000 . 1 . . 47663 . . 304 PRO C . 50000 1 460 . 1 . 1 104 104 PRO CA C 13 64.4149 0.0000 . 1 . . 43058 . . 304 PRO CA . 50000 1 461 . 1 . 1 104 104 PRO CB C 13 30.0592 0.0000 . 1 . . 43058 . . 304 PRO CB . 50000 1 462 . 1 . 1 105 105 GLY H H 1 8.6189 0.0000 . 1 . . 43056 . . 305 GLY H . 50000 1 463 . 1 . 1 105 105 GLY C C 13 176.6364 0.0000 . 1 . . 47060 . . 305 GLY C . 50000 1 464 . 1 . 1 105 105 GLY CA C 13 44.7263 0.0000 . 1 . . 45827 . . 305 GLY CA . 50000 1 465 . 1 . 1 105 105 GLY N N 15 112.0547 0.0000 . 1 . . 43057 . . 305 GLY N . 50000 1 466 . 1 . 1 106 106 PHE H H 1 8.2575 0.0000 . 1 . . 43740 . . 306 PHE H . 50000 1 467 . 1 . 1 106 106 PHE C C 13 176.9303 0.0000 . 1 . . 46472 . . 306 PHE C . 50000 1 468 . 1 . 1 106 106 PHE CA C 13 62.4172 0.0000 . 1 . . 44837 . . 306 PHE CA . 50000 1 469 . 1 . 1 106 106 PHE CB C 13 39.8255 0.0000 . 1 . . 64857 . . 306 PHE CB . 50000 1 470 . 1 . 1 106 106 PHE N N 15 124.5375 0.0000 . 1 . . 43741 . . 306 PHE N . 50000 1 471 . 1 . 1 107 107 VAL H H 1 8.2051 0.0000 . 1 . . 43116 . . 307 VAL H . 50000 1 472 . 1 . 1 107 107 VAL C C 13 175.8892 0.0000 . 1 . . 46637 . . 307 VAL C . 50000 1 473 . 1 . 1 107 107 VAL CA C 13 62.5484 0.0000 . 1 . . 44852 . . 307 VAL CA . 50000 1 474 . 1 . 1 107 107 VAL CB C 13 29.7734 0.0000 . 1 . . 70916 . . 307 VAL CB . 50000 1 475 . 1 . 1 107 107 VAL N N 15 106.7057 0.0000 . 1 . . 43117 . . 307 VAL N . 50000 1 476 . 1 . 1 108 108 ASN H H 1 7.0651 0.0000 . 1 . . 43107 . . 308 ASN H . 50000 1 477 . 1 . 1 108 108 ASN C C 13 175.9874 0.0000 . 1 . . 64246 . . 308 ASN C . 50000 1 478 . 1 . 1 108 108 ASN CA C 13 52.3355 0.0000 . 1 . . 64244 . . 308 ASN CA . 50000 1 479 . 1 . 1 108 108 ASN N N 15 116.4283 0.0000 . 1 . . 43108 . . 308 ASN N . 50000 1 480 . 1 . 1 109 109 LEU H H 1 7.1335 0.0000 . 1 . . 51189 . . 309 LEU H . 50000 1 481 . 1 . 1 109 109 LEU C C 13 177.4719 0.0000 . 1 . . 64871 . . 309 LEU C . 50000 1 482 . 1 . 1 109 109 LEU CA C 13 53.4743 0.0000 . 1 . . 64873 . . 309 LEU CA . 50000 1 483 . 1 . 1 109 109 LEU CB C 13 40.5737 0.0000 . 1 . . 64340 . . 309 LEU CB . 50000 1 484 . 1 . 1 109 109 LEU N N 15 120.6698 0.0000 . 1 . . 51190 . . 309 LEU N . 50000 1 485 . 1 . 1 110 110 ASP H H 1 9.1065 0.0000 . 1 . . 43671 . . 310 ASP H . 50000 1 486 . 1 . 1 110 110 ASP C C 13 177.7642 0.0000 . 1 . . 46343 . . 310 ASP C . 50000 1 487 . 1 . 1 110 110 ASP CA C 13 54.9724 0.0000 . 1 . . 45551 . . 310 ASP CA . 50000 1 488 . 1 . 1 110 110 ASP CB C 13 41.9800 0.0000 . 1 . . 70907 . . 310 ASP CB . 50000 1 489 . 1 . 1 110 110 ASP N N 15 124.2094 0.0000 . 1 . . 43672 . . 310 ASP N . 50000 1 490 . 1 . 1 111 111 LEU H H 1 8.6662 0.0000 . 1 . . 64343 . . 311 LEU H . 50000 1 491 . 1 . 1 111 111 LEU C C 13 178.4616 0.0000 . 1 . . 64351 . . 311 LEU C . 50000 1 492 . 1 . 1 111 111 LEU CA C 13 57.7946 0.0000 . 1 . . 64345 . . 311 LEU CA . 50000 1 493 . 1 . 1 111 111 LEU CB C 13 40.8237 0.0000 . 1 . . 65028 . . 311 LEU CB . 50000 1 494 . 1 . 1 111 111 LEU N N 15 129.4916 0.0000 . 1 . . 64344 . . 311 LEU N . 50000 1 495 . 1 . 1 112 112 ASN H H 1 8.6612 0.0000 . 1 . . 43383 . . 312 ASN H . 50000 1 496 . 1 . 1 112 112 ASN C C 13 178.2267 0.0000 . 1 . . 67343 . . 312 ASN C . 50000 1 497 . 1 . 1 112 112 ASN CA C 13 56.1923 0.0000 . 1 . . 67347 . . 312 ASN CA . 50000 1 498 . 1 . 1 112 112 ASN CB C 13 37.2076 0.0000 . 1 . . 67349 . . 312 ASN CB . 50000 1 499 . 1 . 1 112 112 ASN N N 15 114.4371 0.0000 . 1 . . 43384 . . 312 ASN N . 50000 1 500 . 1 . 1 113 113 ASP H H 1 7.4119 0.0000 . 1 . . 43488 . . 313 ASP H . 50000 1 501 . 1 . 1 113 113 ASP C C 13 177.5851 0.0000 . 1 . . 67337 . . 313 ASP C . 50000 1 502 . 1 . 1 113 113 ASP CA C 13 56.7660 0.0000 . 1 . . 67339 . . 313 ASP CA . 50000 1 503 . 1 . 1 113 113 ASP CB C 13 38.4811 0.0000 . 1 . . 70943 . . 313 ASP CB . 50000 1 504 . 1 . 1 113 113 ASP N N 15 120.1217 0.0000 . 1 . . 43489 . . 313 ASP N . 50000 1 505 . 1 . 1 114 114 GLN H H 1 7.9458 0.0000 . 1 . . 51214 . . 314 GLN H . 50000 1 506 . 1 . 1 114 114 GLN C C 13 178.3779 0.0000 . 1 . . 67604 . . 314 GLN C . 50000 1 507 . 1 . 1 114 114 GLN CA C 13 59.6885 0.0000 . 1 . . 67608 . . 314 GLN CA . 50000 1 508 . 1 . 1 114 114 GLN CB C 13 28.6937 0.0000 . 1 . . 67610 . . 314 GLN CB . 50000 1 509 . 1 . 1 114 114 GLN N N 15 120.2255 0.0000 . 1 . . 51215 . . 314 GLN N . 50000 1 510 . 1 . 1 115 115 VAL H H 1 7.6993 0.0000 . 1 . . 43251 . . 315 VAL H . 50000 1 511 . 1 . 1 115 115 VAL C C 13 177.8628 0.0000 . 1 . . 67614 . . 315 VAL C . 50000 1 512 . 1 . 1 115 115 VAL CA C 13 65.9277 0.0000 . 1 . . 67616 . . 315 VAL CA . 50000 1 513 . 1 . 1 115 115 VAL CB C 13 30.3107 0.0000 . 1 . . 70949 . . 315 VAL CB . 50000 1 514 . 1 . 1 115 115 VAL N N 15 116.1834 0.0000 . 1 . . 43252 . . 315 VAL N . 50000 1 515 . 1 . 1 116 116 THR H H 1 8.4330 0.0000 . 1 . . 43776 . . 316 THR H . 50000 1 516 . 1 . 1 116 116 THR C C 13 178.5047 0.0000 . 1 . . 46352 . . 316 THR C . 50000 1 517 . 1 . 1 116 116 THR CA C 13 66.5304 0.0000 . 1 . . 67620 . . 316 THR CA . 50000 1 518 . 1 . 1 116 116 THR CB C 13 67.2664 0.0000 . 1 . . 70952 . . 316 THR CB . 50000 1 519 . 1 . 1 116 116 THR N N 15 119.1860 0.0000 . 1 . . 43777 . . 316 THR N . 50000 1 520 . 1 . 1 117 117 LEU H H 1 8.8769 0.0000 . 1 . . 51285 . . 317 LEU H . 50000 1 521 . 1 . 1 117 117 LEU C C 13 182.7979 0.0000 . 1 . . 70224 . . 317 LEU C . 50000 1 522 . 1 . 1 117 117 LEU CA C 13 57.3865 0.0000 . 1 . . 67600 . . 317 LEU CA . 50000 1 523 . 1 . 1 117 117 LEU CB C 13 39.3879 0.0000 . 1 . . 70970 . . 317 LEU CB . 50000 1 524 . 1 . 1 117 117 LEU N N 15 118.6500 0.0000 . 1 . . 51286 . . 317 LEU N . 50000 1 525 . 1 . 1 118 118 LEU H H 1 7.9327 0.0000 . 1 . . 70187 . . 318 LEU H . 50000 1 526 . 1 . 1 118 118 LEU C C 13 176.9584 0.0000 . 1 . . 65655 . . 318 LEU C . 50000 1 527 . 1 . 1 118 118 LEU CA C 13 57.7524 0.0000 . 1 . . 43400 . . 318 LEU CA . 50000 1 528 . 1 . 1 118 118 LEU CB C 13 41.4441 0.0000 . 1 . . 70967 . . 318 LEU CB . 50000 1 529 . 1 . 1 118 118 LEU N N 15 121.3034 0.0000 . 1 . . 70188 . . 318 LEU N . 50000 1 530 . 1 . 1 119 119 LYS H H 1 9.2954 0.0000 . 1 . . 47193 . . 319 LYS H . 50000 1 531 . 1 . 1 119 119 LYS C C 13 176.7564 0.0000 . 1 . . 67107 . . 319 LYS C . 50000 1 532 . 1 . 1 119 119 LYS CA C 13 58.9290 0.0000 . 1 . . 67111 . . 319 LYS CA . 50000 1 533 . 1 . 1 119 119 LYS CB C 13 30.2001 0.0000 . 1 . . 67113 . . 319 LYS CB . 50000 1 534 . 1 . 1 119 119 LYS N N 15 121.5163 0.0000 . 1 . . 47194 . . 319 LYS N . 50000 1 535 . 1 . 1 120 120 TYR H H 1 7.0577 0.0000 . 1 . . 46494 . . 320 TYR H . 50000 1 536 . 1 . 1 120 120 TYR C C 13 178.7310 0.0000 . 1 . . 67117 . . 320 TYR C . 50000 1 537 . 1 . 1 120 120 TYR CA C 13 59.9297 0.0000 . 1 . . 67121 . . 320 TYR CA . 50000 1 538 . 1 . 1 120 120 TYR CB C 13 38.4843 0.0000 . 1 . . 67123 . . 320 TYR CB . 50000 1 539 . 1 . 1 120 120 TYR N N 15 111.8442 0.0000 . 1 . . 46495 . . 320 TYR N . 50000 1 540 . 1 . 1 121 121 GLY H H 1 8.2393 0.0000 . 1 . . 47010 . . 321 GLY H . 50000 1 541 . 1 . 1 121 121 GLY C C 13 175.9529 0.0000 . 1 . . 67125 . . 321 GLY C . 50000 1 542 . 1 . 1 121 121 GLY CA C 13 46.7246 0.0000 . 1 . . 67129 . . 321 GLY CA . 50000 1 543 . 1 . 1 121 121 GLY N N 15 106.3224 0.0000 . 1 . . 47011 . . 321 GLY N . 50000 1 544 . 1 . 1 122 122 VAL H H 1 8.7111 0.0000 . 1 . . 44661 . . 322 VAL H . 50000 1 545 . 1 . 1 122 122 VAL C C 13 176.2508 0.0000 . 1 . . 67147 . . 322 VAL C . 50000 1 546 . 1 . 1 122 122 VAL CA C 13 65.7177 0.0000 . 1 . . 67151 . . 322 VAL CA . 50000 1 547 . 1 . 1 122 122 VAL CB C 13 29.6379 0.0000 . 1 . . 67153 . . 322 VAL CB . 50000 1 548 . 1 . 1 122 122 VAL N N 15 113.8537 0.0000 . 1 . . 44662 . . 322 VAL N . 50000 1 549 . 1 . 1 123 123 HIS H H 1 5.9997 0.0000 . 1 . . 42939 . . 323 HIS H . 50000 1 550 . 1 . 1 123 123 HIS C C 13 176.4647 0.0000 . 1 . . 67232 . . 323 HIS C . 50000 1 551 . 1 . 1 123 123 HIS CA C 13 57.7484 0.0000 . 1 . . 67234 . . 323 HIS CA . 50000 1 552 . 1 . 1 123 123 HIS CB C 13 30.7234 0.0000 . 1 . . 67236 . . 323 HIS CB . 50000 1 553 . 1 . 1 123 123 HIS N N 15 115.7524 0.0000 . 1 . . 42940 . . 323 HIS N . 50000 1 554 . 1 . 1 124 124 GLU H H 1 6.5226 0.0000 . 1 . . 43392 . . 324 GLU H . 50000 1 555 . 1 . 1 124 124 GLU C C 13 179.1816 0.0000 . 1 . . 46133 . . 324 GLU C . 50000 1 556 . 1 . 1 124 124 GLU CA C 13 58.0453 0.0000 . 1 . . 45227 . . 324 GLU CA . 50000 1 557 . 1 . 1 124 124 GLU CB C 13 28.9728 0.0000 . 1 . . 64893 . . 324 GLU CB . 50000 1 558 . 1 . 1 124 124 GLU N N 15 114.3463 0.0000 . 1 . . 43393 . . 324 GLU N . 50000 1 559 . 1 . 1 129 129 MET C C 13 179.0608 0.0000 . 1 . . 47081 . . 329 MET C . 50000 1 560 . 1 . 1 129 129 MET CA C 13 57.7550 0.0000 . 1 . . 43364 . . 329 MET CA . 50000 1 561 . 1 . 1 129 129 MET CB C 13 31.0886 0.0000 . 1 . . 64931 . . 329 MET CB . 50000 1 562 . 1 . 1 130 130 LEU H H 1 8.5155 0.0000 . 1 . . 43362 . . 330 LEU H . 50000 1 563 . 1 . 1 130 130 LEU C C 13 178.9328 0.0000 . 1 . . 64935 . . 330 LEU C . 50000 1 564 . 1 . 1 130 130 LEU CA C 13 56.7281 0.0000 . 1 . . 64939 . . 330 LEU CA . 50000 1 565 . 1 . 1 130 130 LEU CB C 13 40.4599 0.0000 . 1 . . 71030 . . 330 LEU CB . 50000 1 566 . 1 . 1 130 130 LEU N N 15 123.3947 0.0000 . 1 . . 43363 . . 330 LEU N . 50000 1 567 . 1 . 1 131 131 ALA H H 1 7.5129 0.0000 . 1 . . 43464 . . 331 ALA H . 50000 1 568 . 1 . 1 131 131 ALA C C 13 179.7829 0.0000 . 1 . . 46049 . . 331 ALA C . 50000 1 569 . 1 . 1 131 131 ALA CA C 13 54.8307 0.0000 . 1 . . 45590 . . 331 ALA CA . 50000 1 570 . 1 . 1 131 131 ALA CB C 13 15.5518 0.0000 . 1 . . 65590 . . 331 ALA CB . 50000 1 571 . 1 . 1 131 131 ALA N N 15 118.5243 0.0000 . 1 . . 43465 . . 331 ALA N . 50000 1 572 . 1 . 1 132 132 SER H H 1 7.3306 0.0000 . 1 . . 51344 . . 332 SER H . 50000 1 573 . 1 . 1 132 132 SER CA C 13 60.7167 0.0000 . 1 . . 51393 . . 332 SER CA . 50000 1 574 . 1 . 1 132 132 SER CB C 13 62.6355 0.0000 . 1 . . 71024 . . 332 SER CB . 50000 1 575 . 1 . 1 132 132 SER N N 15 112.1234 0.0000 . 1 . . 51345 . . 332 SER N . 50000 1 576 . 1 . 1 133 133 LEU H H 1 7.6306 0.0000 . 1 . . 44937 . . 333 LEU H . 50000 1 577 . 1 . 1 133 133 LEU C C 13 175.0132 0.0000 . 1 . . 48880 . . 333 LEU C . 50000 1 578 . 1 . 1 133 133 LEU CA C 13 53.9319 0.0000 . 1 . . 48874 . . 333 LEU CA . 50000 1 579 . 1 . 1 133 133 LEU CB C 13 40.4181 0.0000 . 1 . . 71021 . . 333 LEU CB . 50000 1 580 . 1 . 1 133 133 LEU N N 15 118.1580 0.0000 . 1 . . 44938 . . 333 LEU N . 50000 1 581 . 1 . 1 134 134 MET H H 1 7.4596 0.0000 . 1 . . 48869 . . 334 MET H . 50000 1 582 . 1 . 1 134 134 MET C C 13 176.0604 0.0000 . 1 . . 48877 . . 334 MET C . 50000 1 583 . 1 . 1 134 134 MET CA C 13 54.4419 0.0000 . 1 . . 48871 . . 334 MET CA . 50000 1 584 . 1 . 1 134 134 MET CB C 13 36.2228 0.0000 . 1 . . 71012 . . 334 MET CB . 50000 1 585 . 1 . 1 134 134 MET N N 15 116.3492 0.0000 . 1 . . 48870 . . 334 MET N . 50000 1 586 . 1 . 1 135 135 ASN H H 1 9.0010 0.0000 . 1 . . 45615 . . 335 ASN H . 50000 1 587 . 1 . 1 135 135 ASN C C 13 175.1033 0.0000 . 1 . . 46688 . . 335 ASN C . 50000 1 588 . 1 . 1 135 135 ASN CA C 13 51.0000 0.0000 . 1 . . 45746 . . 335 ASN CA . 50000 1 589 . 1 . 1 135 135 ASN CB C 13 39.3105 0.0000 . 1 . . 65620 . . 335 ASN CB . 50000 1 590 . 1 . 1 135 135 ASN N N 15 118.0999 0.0000 . 1 . . 45616 . . 335 ASN N . 50000 1 591 . 1 . 1 136 136 LYS H H 1 8.3364 0.0000 . 1 . . 43701 . . 336 LYS H . 50000 1 592 . 1 . 1 136 136 LYS C C 13 175.8371 0.0000 . 1 . . 46652 . . 336 LYS C . 50000 1 593 . 1 . 1 136 136 LYS CA C 13 57.8578 0.0000 . 1 . . 45233 . . 336 LYS CA . 50000 1 594 . 1 . 1 136 136 LYS CB C 13 30.5988 0.0000 . 1 . . 65626 . . 336 LYS CB . 50000 1 595 . 1 . 1 136 136 LYS N N 15 112.4582 0.0000 . 1 . . 43702 . . 336 LYS N . 50000 1 596 . 1 . 1 137 137 ASP H H 1 8.3998 0.0000 . 1 . . 43380 . . 337 ASP H . 50000 1 597 . 1 . 1 137 137 ASP C C 13 177.9345 0.0000 . 1 . . 49203 . . 337 ASP C . 50000 1 598 . 1 . 1 137 137 ASP CA C 13 54.2434 0.0000 . 1 . . 49199 . . 337 ASP CA . 50000 1 599 . 1 . 1 137 137 ASP CB C 13 42.3662 0.0000 . 1 . . 65629 . . 337 ASP CB . 50000 1 600 . 1 . 1 137 137 ASP N N 15 115.7145 0.0000 . 1 . . 43381 . . 337 ASP N . 50000 1 601 . 1 . 1 138 138 GLY H H 1 8.1829 0.0000 . 1 . . 43650 . . 338 GLY H . 50000 1 602 . 1 . 1 138 138 GLY C C 13 168.6713 0.0000 . 1 . . 46892 . . 338 GLY C . 50000 1 603 . 1 . 1 138 138 GLY CA C 13 47.7143 0.0000 . 1 . . 45776 . . 338 GLY CA . 50000 1 604 . 1 . 1 138 138 GLY N N 15 111.9956 0.0000 . 1 . . 43651 . . 338 GLY N . 50000 1 605 . 1 . 1 139 139 VAL H H 1 8.0456 0.0000 . 1 . . 43713 . . 339 VAL H . 50000 1 606 . 1 . 1 139 139 VAL C C 13 172.4456 0.0000 . 1 . . 46862 . . 339 VAL C . 50000 1 607 . 1 . 1 139 139 VAL CA C 13 56.7100 0.0000 . 1 . . 45383 . . 339 VAL CA . 50000 1 608 . 1 . 1 139 139 VAL CB C 13 35.2575 0.0000 . 1 . . 65638 . . 339 VAL CB . 50000 1 609 . 1 . 1 139 139 VAL N N 15 116.2595 0.0000 . 1 . . 43714 . . 339 VAL N . 50000 1 610 . 1 . 1 140 140 LEU H H 1 8.5119 0.0000 . 1 . . 43455 . . 340 LEU H . 50000 1 611 . 1 . 1 140 140 LEU C C 13 175.8762 0.0000 . 1 . . 46595 . . 340 LEU C . 50000 1 612 . 1 . 1 140 140 LEU CA C 13 54.6633 0.0000 . 1 . . 45566 . . 340 LEU CA . 50000 1 613 . 1 . 1 140 140 LEU CB C 13 42.9152 0.0000 . 1 . . 65647 . . 340 LEU CB . 50000 1 614 . 1 . 1 140 140 LEU N N 15 127.8825 0.0000 . 1 . . 43456 . . 340 LEU N . 50000 1 615 . 1 . 1 141 141 ILE H H 1 8.3083 0.0000 . 1 . . 43599 . . 341 ILE H . 50000 1 616 . 1 . 1 141 141 ILE C C 13 176.9262 0.0000 . 1 . . 51417 . . 341 ILE C . 50000 1 617 . 1 . 1 141 141 ILE CA C 13 58.0097 0.0000 . 1 . . 51415 . . 341 ILE CA . 50000 1 618 . 1 . 1 141 141 ILE CB C 13 41.3629 0.0000 . 1 . . 70994 . . 341 ILE CB . 50000 1 619 . 1 . 1 141 141 ILE N N 15 113.6956 0.0000 . 1 . . 43600 . . 341 ILE N . 50000 1 620 . 1 . 1 142 142 SER H H 1 9.5622 0.0000 . 1 . . 43353 . . 342 SER H . 50000 1 621 . 1 . 1 142 142 SER CA C 13 57.6846 0.0000 . 1 . . 65656 . . 342 SER CA . 50000 1 622 . 1 . 1 142 142 SER CB C 13 61.3616 0.0000 . 1 . . 65653 . . 342 SER CB . 50000 1 623 . 1 . 1 142 142 SER N N 15 119.4088 0.0000 . 1 . . 43354 . . 342 SER N . 50000 1 624 . 1 . 1 143 143 GLU H H 1 9.0810 0.0000 . 1 . . 43377 . . 343 GLU H . 50000 1 625 . 1 . 1 143 143 GLU C C 13 176.2069 0.0000 . 1 . . 51409 . . 343 GLU C . 50000 1 626 . 1 . 1 143 143 GLU CA C 13 56.4568 0.0000 . 1 . . 51413 . . 343 GLU CA . 50000 1 627 . 1 . 1 143 143 GLU CB C 13 26.0034 0.0000 . 1 . . 64588 . . 343 GLU CB . 50000 1 628 . 1 . 1 143 143 GLU N N 15 115.9496 0.0000 . 1 . . 43378 . . 343 GLU N . 50000 1 629 . 1 . 1 144 144 GLY H H 1 7.7716 0.0000 . 1 . . 43485 . . 344 GLY H . 50000 1 630 . 1 . 1 144 144 GLY C C 13 173.3063 0.0000 . 1 . . 46835 . . 344 GLY C . 50000 1 631 . 1 . 1 144 144 GLY CA C 13 44.6833 0.0000 . 1 . . 45833 . . 344 GLY CA . 50000 1 632 . 1 . 1 144 144 GLY N N 15 104.0308 0.0000 . 1 . . 43486 . . 344 GLY N . 50000 1 633 . 1 . 1 145 145 GLN H H 1 7.8024 0.0000 . 1 . . 43746 . . 345 GLN H . 50000 1 634 . 1 . 1 145 145 GLN C C 13 176.9711 0.0000 . 1 . . 46457 . . 345 GLN C . 50000 1 635 . 1 . 1 145 145 GLN CA C 13 56.8236 0.0000 . 1 . . 45380 . . 345 GLN CA . 50000 1 636 . 1 . 1 145 145 GLN CB C 13 30.4929 0.0000 . 1 . . 64597 . . 345 GLN CB . 50000 1 637 . 1 . 1 145 145 GLN N N 15 116.6098 0.0000 . 1 . . 43747 . . 345 GLN N . 50000 1 638 . 1 . 1 146 146 GLY H H 1 8.0373 0.0000 . 1 . . 43476 . . 346 GLY H . 50000 1 639 . 1 . 1 146 146 GLY C C 13 170.9836 0.0000 . 1 . . 46886 . . 346 GLY C . 50000 1 640 . 1 . 1 146 146 GLY CA C 13 42.9599 0.0000 . 1 . . 45842 . . 346 GLY CA . 50000 1 641 . 1 . 1 146 146 GLY N N 15 103.7589 0.0000 . 1 . . 43477 . . 346 GLY N . 50000 1 642 . 1 . 1 147 147 PHE H H 1 8.8780 0.0000 . 1 . . 43749 . . 347 PHE H . 50000 1 643 . 1 . 1 147 147 PHE C C 13 172.7913 0.0000 . 1 . . 46850 . . 347 PHE C . 50000 1 644 . 1 . 1 147 147 PHE CA C 13 56.0823 0.0000 . 1 . . 45443 . . 347 PHE CA . 50000 1 645 . 1 . 1 147 147 PHE CB C 13 41.2829 0.0000 . 1 . . 70982 . . 347 PHE CB . 50000 1 646 . 1 . 1 147 147 PHE N N 15 123.0317 0.0000 . 1 . . 43750 . . 347 PHE N . 50000 1 647 . 1 . 1 148 148 MET H H 1 8.8506 0.0000 . 1 . . 43497 . . 348 MET H . 50000 1 648 . 1 . 1 148 148 MET C C 13 175.9031 0.0000 . 1 . . 64612 . . 348 MET C . 50000 1 649 . 1 . 1 148 148 MET CA C 13 52.2344 0.0000 . 1 . . 64616 . . 348 MET CA . 50000 1 650 . 1 . 1 148 148 MET CB C 13 33.3196 0.0000 . 1 . . 70979 . . 348 MET CB . 50000 1 651 . 1 . 1 148 148 MET N N 15 128.1984 0.0000 . 1 . . 43498 . . 348 MET N . 50000 1 652 . 1 . 1 149 149 THR H H 1 8.4932 0.0000 . 1 . . 50881 . . 349 THR H . 50000 1 653 . 1 . 1 149 149 THR C C 13 174.4238 0.0000 . 1 . . 50913 . . 349 THR C . 50000 1 654 . 1 . 1 149 149 THR CA C 13 61.4922 0.0000 . 1 . . 50904 . . 349 THR CA . 50000 1 655 . 1 . 1 149 149 THR CB C 13 68.5493 0.0000 . 1 . . 70976 . . 349 THR CB . 50000 1 656 . 1 . 1 149 149 THR N N 15 116.3985 0.0000 . 1 . . 50882 . . 349 THR N . 50000 1 657 . 1 . 1 150 150 ARG H H 1 8.6131 0.0000 . 1 . . 43155 . . 350 ARG H . 50000 1 658 . 1 . 1 150 150 ARG C C 13 179.0606 0.0000 . 1 . . 51722 . . 350 ARG C . 50000 1 659 . 1 . 1 150 150 ARG CA C 13 57.9800 0.0000 . 1 . . 51718 . . 350 ARG CA . 50000 1 660 . 1 . 1 150 150 ARG CB C 13 30.1499 0.0000 . 1 . . 64632 . . 350 ARG CB . 50000 1 661 . 1 . 1 150 150 ARG N N 15 126.6532 0.0000 . 1 . . 43156 . . 350 ARG N . 50000 1 662 . 1 . 1 151 151 GLU H H 1 8.6855 0.0000 . 1 . . 43356 . . 351 GLU H . 50000 1 663 . 1 . 1 151 151 GLU C C 13 178.2498 0.0000 . 1 . . 75113 . . 351 GLU C . 50000 1 664 . 1 . 1 151 151 GLU CA C 13 58.3179 0.0000 . 1 . . 75116 . . 351 GLU CA . 50000 1 665 . 1 . 1 151 151 GLU CB C 13 28.2862 0.0000 . 1 . . 75120 . . 351 GLU CB . 50000 1 666 . 1 . 1 151 151 GLU N N 15 117.9672 0.0000 . 1 . . 43357 . . 351 GLU N . 50000 1 667 . 1 . 1 152 152 PHE H H 1 7.7125 0.0000 . 1 . . 70267 . . 352 PHE H . 50000 1 668 . 1 . 1 152 152 PHE C C 13 179.3288 0.0000 . 1 . . 75108 . . 352 PHE C . 50000 1 669 . 1 . 1 152 152 PHE CA C 13 57.7401 0.0000 . 1 . . 75109 . . 352 PHE CA . 50000 1 670 . 1 . 1 152 152 PHE CB C 13 37.3191 0.0000 . 1 . . 70272 . . 352 PHE CB . 50000 1 671 . 1 . 1 152 152 PHE N N 15 121.0123 0.0000 . 1 . . 70268 . . 352 PHE N . 50000 1 672 . 1 . 1 153 153 LEU C C 13 177.5092 0.0000 . 1 . . 47621 . . 353 LEU C . 50000 1 673 . 1 . 1 153 153 LEU CA C 13 57.7215 0.0000 . 1 . . 43388 . . 353 LEU CA . 50000 1 674 . 1 . 1 153 153 LEU CB C 13 40.5477 0.0000 . 1 . . 66902 . . 353 LEU CB . 50000 1 675 . 1 . 1 154 154 LYS H H 1 7.7135 0.0000 . 1 . . 43386 . . 354 LYS H . 50000 1 676 . 1 . 1 154 154 LYS CA C 13 56.9716 0.0000 . 1 . . 66905 . . 354 LYS CA . 50000 1 677 . 1 . 1 154 154 LYS CB C 13 31.5048 0.0000 . 1 . . 71721 . . 354 LYS CB . 50000 1 678 . 1 . 1 154 154 LYS N N 15 114.4329 0.0000 . 1 . . 43387 . . 354 LYS N . 50000 1 679 . 1 . 1 155 155 SER H H 1 7.5941 0.0000 . 1 . . 66855 . . 355 SER H . 50000 1 680 . 1 . 1 155 155 SER C C 13 174.3405 0.0000 . 1 . . 66896 . . 355 SER C . 50000 1 681 . 1 . 1 155 155 SER CA C 13 58.6907 0.0000 . 1 . . 66890 . . 355 SER CA . 50000 1 682 . 1 . 1 155 155 SER CB C 13 63.4328 0.0000 . 1 . . 71718 . . 355 SER CB . 50000 1 683 . 1 . 1 155 155 SER N N 15 113.9169 0.0000 . 1 . . 66856 . . 355 SER N . 50000 1 684 . 1 . 1 156 156 LEU H H 1 6.8737 0.0000 . 1 . . 43290 . . 356 LEU H . 50000 1 685 . 1 . 1 156 156 LEU C C 13 176.5137 0.0000 . 1 . . 46523 . . 356 LEU C . 50000 1 686 . 1 . 1 156 156 LEU CA C 13 54.3055 0.0000 . 1 . . 67660 . . 356 LEU CA . 50000 1 687 . 1 . 1 156 156 LEU CB C 13 40.8199 0.0000 . 1 . . 66845 . . 356 LEU CB . 50000 1 688 . 1 . 1 156 156 LEU N N 15 122.8880 0.0000 . 1 . . 43291 . . 356 LEU N . 50000 1 689 . 1 . 1 157 157 ARG H H 1 8.1114 0.0000 . 1 . . 45534 . . 357 ARG H . 50000 1 690 . 1 . 1 157 157 ARG CA C 13 55.1436 0.0000 . 1 . . 45536 . . 357 ARG CA . 50000 1 691 . 1 . 1 157 157 ARG CB C 13 29.3949 0.0000 . 1 . . 66854 . . 357 ARG CB . 50000 1 692 . 1 . 1 157 157 ARG N N 15 119.3103 0.0000 . 1 . . 45535 . . 357 ARG N . 50000 1 693 . 1 . 1 159 159 PRO C C 13 175.0877 0.0000 . 1 . . 46676 . . 359 PRO C . 50000 1 694 . 1 . 1 159 159 PRO CA C 13 62.9622 0.0000 . 1 . . 43085 . . 359 PRO CA . 50000 1 695 . 1 . 1 159 159 PRO CB C 13 32.8535 0.0000 . 1 . . 64638 . . 359 PRO CB . 50000 1 696 . 1 . 1 160 160 PHE H H 1 7.1731 0.0000 . 1 . . 43083 . . 360 PHE H . 50000 1 697 . 1 . 1 160 160 PHE C C 13 178.8967 0.0000 . 1 . . 49413 . . 360 PHE C . 50000 1 698 . 1 . 1 160 160 PHE CA C 13 59.3963 0.0000 . 1 . . 49407 . . 360 PHE CA . 50000 1 699 . 1 . 1 160 160 PHE CB C 13 36.1267 0.0000 . 1 . . 64641 . . 360 PHE CB . 50000 1 700 . 1 . 1 160 160 PHE N N 15 124.0456 0.0000 . 1 . . 43084 . . 360 PHE N . 50000 1 701 . 1 . 1 161 161 GLY H H 1 7.3159 0.0000 . 1 . . 43263 . . 361 GLY H . 50000 1 702 . 1 . 1 161 161 GLY C C 13 174.7492 0.0000 . 1 . . 46739 . . 361 GLY C . 50000 1 703 . 1 . 1 161 161 GLY CA C 13 46.0223 0.0000 . 1 . . 45794 . . 361 GLY CA . 50000 1 704 . 1 . 1 161 161 GLY N N 15 105.4439 0.0000 . 1 . . 43264 . . 361 GLY N . 50000 1 705 . 1 . 1 162 162 ASP H H 1 7.6449 0.0000 . 1 . . 46920 . . 362 ASP H . 50000 1 706 . 1 . 1 162 162 ASP C C 13 178.0691 0.0000 . 1 . . 46922 . . 362 ASP C . 50000 1 707 . 1 . 1 162 162 ASP CA C 13 53.8033 0.0000 . 1 . . 45683 . . 362 ASP CA . 50000 1 708 . 1 . 1 162 162 ASP CB C 13 40.9021 0.0000 . 1 . . 64656 . . 362 ASP CB . 50000 1 709 . 1 . 1 162 162 ASP N N 15 119.4374 0.0000 . 1 . . 46921 . . 362 ASP N . 50000 1 710 . 1 . 1 163 163 PHE H H 1 7.8984 0.0000 . 1 . . 45936 . . 363 PHE H . 50000 1 711 . 1 . 1 163 163 PHE C C 13 179.2527 0.0000 . 1 . . 46715 . . 363 PHE C . 50000 1 712 . 1 . 1 163 163 PHE CA C 13 58.4615 0.0000 . 1 . . 45938 . . 363 PHE CA . 50000 1 713 . 1 . 1 163 163 PHE CB C 13 36.7396 0.0000 . 1 . . 64665 . . 363 PHE CB . 50000 1 714 . 1 . 1 163 163 PHE N N 15 118.1647 0.0000 . 1 . . 45937 . . 363 PHE N . 50000 1 715 . 1 . 1 164 164 MET H H 1 8.4163 0.0000 . 1 . . 43326 . . 364 MET H . 50000 1 716 . 1 . 1 164 164 MET C C 13 179.0850 0.0000 . 1 . . 46160 . . 364 MET C . 50000 1 717 . 1 . 1 164 164 MET CA C 13 52.9342 0.0000 . 1 . . 45710 . . 364 MET CA . 50000 1 718 . 1 . 1 164 164 MET CB C 13 29.4907 0.0000 . 1 . . 71610 . . 364 MET CB . 50000 1 719 . 1 . 1 164 164 MET N N 15 111.8601 0.0000 . 1 . . 43327 . . 364 MET N . 50000 1 720 . 1 . 1 165 165 GLU H H 1 7.9188 0.0000 . 1 . . 44973 . . 365 GLU H . 50000 1 721 . 1 . 1 165 165 GLU C C 13 174.2972 0.0000 . 1 . . 49135 . . 365 GLU C . 50000 1 722 . 1 . 1 165 165 GLU CA C 13 60.1330 0.0000 . 1 . . 49131 . . 365 GLU CA . 50000 1 723 . 1 . 1 165 165 GLU CB C 13 26.6122 0.0000 . 1 . . 64671 . . 365 GLU CB . 50000 1 724 . 1 . 1 165 165 GLU N N 15 125.5176 0.0000 . 1 . . 44974 . . 365 GLU N . 50000 1 725 . 1 . 1 166 166 PRO C C 13 180.1382 0.0000 . 1 . . 64443 . . 366 PRO C . 50000 1 726 . 1 . 1 166 166 PRO CA C 13 65.2347 0.0000 . 1 . . 42971 . . 366 PRO CA . 50000 1 727 . 1 . 1 166 166 PRO CB C 13 30.5015 0.0000 . 1 . . 71156 . . 366 PRO CB . 50000 1 728 . 1 . 1 167 167 LYS H H 1 7.4526 0.0000 . 1 . . 42969 . . 367 LYS H . 50000 1 729 . 1 . 1 167 167 LYS C C 13 178.0522 0.0000 . 1 . . 46322 . . 367 LYS C . 50000 1 730 . 1 . 1 167 167 LYS CA C 13 59.0060 0.0000 . 1 . . 48901 . . 367 LYS CA . 50000 1 731 . 1 . 1 167 167 LYS CB C 13 30.0802 0.0000 . 1 . . 71153 . . 367 LYS CB . 50000 1 732 . 1 . 1 167 167 LYS N N 15 116.1954 0.0000 . 1 . . 42970 . . 367 LYS N . 50000 1 733 . 1 . 1 168 168 PHE H H 1 7.9278 0.0000 . 1 . . 45918 . . 368 PHE H . 50000 1 734 . 1 . 1 168 168 PHE C C 13 178.2469 0.0000 . 1 . . 51666 . . 368 PHE C . 50000 1 735 . 1 . 1 168 168 PHE CA C 13 62.5679 0.0000 . 1 . . 45920 . . 368 PHE CA . 50000 1 736 . 1 . 1 168 168 PHE CB C 13 38.3594 0.0000 . 1 . . 65432 . . 368 PHE CB . 50000 1 737 . 1 . 1 168 168 PHE N N 15 119.4795 0.0000 . 1 . . 45919 . . 368 PHE N . 50000 1 738 . 1 . 1 169 169 GLU H H 1 8.0485 0.0000 . 1 . . 43104 . . 369 GLU H . 50000 1 739 . 1 . 1 169 169 GLU C C 13 179.5707 0.0000 . 1 . . 46073 . . 369 GLU C . 50000 1 740 . 1 . 1 169 169 GLU CA C 13 58.7937 0.0000 . 1 . . 45128 . . 369 GLU CA . 50000 1 741 . 1 . 1 169 169 GLU CB C 13 28.2180 0.0000 . 1 . . 71147 . . 369 GLU CB . 50000 1 742 . 1 . 1 169 169 GLU N N 15 117.1699 0.0000 . 1 . . 43105 . . 369 GLU N . 50000 1 743 . 1 . 1 170 170 PHE H H 1 7.4260 0.0000 . 1 . . 45126 . . 370 PHE H . 50000 1 744 . 1 . 1 170 170 PHE C C 13 176.2388 0.0000 . 1 . . 64235 . . 370 PHE C . 50000 1 745 . 1 . 1 170 170 PHE CA C 13 60.1071 0.0000 . 1 . . 64239 . . 370 PHE CA . 50000 1 746 . 1 . 1 170 170 PHE CB C 13 38.0108 0.0000 . 1 . . 71144 . . 370 PHE CB . 50000 1 747 . 1 . 1 170 170 PHE N N 15 118.1172 0.0000 . 1 . . 45127 . . 370 PHE N . 50000 1 748 . 1 . 1 171 171 ALA H H 1 8.8149 0.0000 . 1 . . 43227 . . 371 ALA H . 50000 1 749 . 1 . 1 171 171 ALA C C 13 179.2493 0.0000 . 1 . . 46106 . . 371 ALA C . 50000 1 750 . 1 . 1 171 171 ALA CA C 13 55.1678 0.0000 . 1 . . 45878 . . 371 ALA CA . 50000 1 751 . 1 . 1 171 171 ALA CB C 13 18.9846 0.0000 . 1 . . 71141 . . 371 ALA CB . 50000 1 752 . 1 . 1 171 171 ALA N N 15 122.9557 0.0000 . 1 . . 43228 . . 371 ALA N . 50000 1 753 . 1 . 1 172 172 VAL H H 1 8.4580 0.0000 . 1 . . 45543 . . 372 VAL H . 50000 1 754 . 1 . 1 172 172 VAL C C 13 179.5627 0.0000 . 1 . . 46079 . . 372 VAL C . 50000 1 755 . 1 . 1 172 172 VAL CA C 13 65.9813 0.0000 . 1 . . 44645 . . 372 VAL CA . 50000 1 756 . 1 . 1 172 172 VAL CB C 13 30.5530 0.0000 . 1 . . 64462 . . 372 VAL CB . 50000 1 757 . 1 . 1 172 172 VAL N N 15 116.2933 0.0000 . 1 . . 45544 . . 372 VAL N . 50000 1 758 . 1 . 1 173 173 LYS H H 1 6.8670 0.0000 . 1 . . 42927 . . 373 LYS H . 50000 1 759 . 1 . 1 173 173 LYS C C 13 178.5711 0.0000 . 1 . . 46259 . . 373 LYS C . 50000 1 760 . 1 . 1 173 173 LYS CA C 13 58.2132 0.0000 . 1 . . 45179 . . 373 LYS CA . 50000 1 761 . 1 . 1 173 173 LYS CB C 13 31.3502 0.0000 . 1 . . 71135 . . 373 LYS CB . 50000 1 762 . 1 . 1 173 173 LYS N N 15 119.0009 0.0000 . 1 . . 42928 . . 373 LYS N . 50000 1 763 . 1 . 1 174 174 PHE H H 1 8.8115 0.0000 . 1 . . 43329 . . 374 PHE H . 50000 1 764 . 1 . 1 174 174 PHE C C 13 179.3339 0.0000 . 1 . . 51448 . . 374 PHE C . 50000 1 765 . 1 . 1 174 174 PHE CA C 13 61.0660 0.0000 . 1 . . 44912 . . 374 PHE CA . 50000 1 766 . 1 . 1 174 174 PHE CB C 13 39.3947 0.0000 . 1 . . 71132 . . 374 PHE CB . 50000 1 767 . 1 . 1 174 174 PHE N N 15 122.5331 0.0000 . 1 . . 43330 . . 374 PHE N . 50000 1 768 . 1 . 1 175 175 ASN H H 1 9.5504 0.0000 . 1 . . 43188 . . 375 ASN H . 50000 1 769 . 1 . 1 175 175 ASN C C 13 179.1579 0.0000 . 1 . . 46115 . . 375 ASN C . 50000 1 770 . 1 . 1 175 175 ASN CA C 13 54.0503 0.0000 . 1 . . 45668 . . 375 ASN CA . 50000 1 771 . 1 . 1 175 175 ASN CB C 13 36.0960 0.0000 . 1 . . 71129 . . 375 ASN CB . 50000 1 772 . 1 . 1 175 175 ASN N N 15 120.1850 0.0000 . 1 . . 43189 . . 375 ASN N . 50000 1 773 . 1 . 1 176 176 ALA H H 1 7.1731 0.0000 . 1 . . 43656 . . 376 ALA H . 50000 1 774 . 1 . 1 176 176 ALA C C 13 178.0894 0.0000 . 1 . . 46304 . . 376 ALA C . 50000 1 775 . 1 . 1 176 176 ALA CA C 13 53.0757 0.0000 . 1 . . 45860 . . 376 ALA CA . 50000 1 776 . 1 . 1 176 176 ALA CB C 13 16.5697 0.0000 . 1 . . 71126 . . 376 ALA CB . 50000 1 777 . 1 . 1 176 176 ALA N N 15 123.3814 0.0000 . 1 . . 43657 . . 376 ALA N . 50000 1 778 . 1 . 1 177 177 LEU H H 1 7.0944 0.0000 . 1 . . 43683 . . 377 LEU H . 50000 1 779 . 1 . 1 177 177 LEU C C 13 175.9309 0.0000 . 1 . . 46331 . . 377 LEU C . 50000 1 780 . 1 . 1 177 177 LEU CA C 13 55.0172 0.0000 . 1 . . 45962 . . 377 LEU CA . 50000 1 781 . 1 . 1 177 177 LEU CB C 13 38.8994 0.0000 . 1 . . 71123 . . 377 LEU CB . 50000 1 782 . 1 . 1 177 177 LEU N N 15 115.7179 0.0000 . 1 . . 43684 . . 377 LEU N . 50000 1 783 . 1 . 1 178 178 GLU H H 1 7.4170 0.0000 . 1 . . 43578 . . 378 GLU H . 50000 1 784 . 1 . 1 178 178 GLU C C 13 175.4806 0.0000 . 1 . . 49195 . . 378 GLU C . 50000 1 785 . 1 . 1 178 178 GLU CA C 13 55.6894 0.0000 . 1 . . 49191 . . 378 GLU CA . 50000 1 786 . 1 . 1 178 178 GLU CB C 13 25.2979 0.0000 . 1 . . 71120 . . 378 GLU CB . 50000 1 787 . 1 . 1 178 178 GLU N N 15 109.8925 0.0000 . 1 . . 43579 . . 378 GLU N . 50000 1 788 . 1 . 1 179 179 LEU H H 1 7.8023 0.0000 . 1 . . 43527 . . 379 LEU H . 50000 1 789 . 1 . 1 179 179 LEU C C 13 178.5456 0.0000 . 1 . . 51433 . . 379 LEU C . 50000 1 790 . 1 . 1 179 179 LEU CA C 13 54.2135 0.0000 . 1 . . 51429 . . 379 LEU CA . 50000 1 791 . 1 . 1 179 179 LEU CB C 13 40.1608 0.0000 . 1 . . 64510 . . 379 LEU CB . 50000 1 792 . 1 . 1 179 179 LEU N N 15 116.0123 0.0000 . 1 . . 43528 . . 379 LEU N . 50000 1 793 . 1 . 1 180 180 ASP H H 1 9.4841 0.0000 . 1 . . 43629 . . 380 ASP H . 50000 1 794 . 1 . 1 180 180 ASP C C 13 176.7055 0.0000 . 1 . . 51425 . . 380 ASP C . 50000 1 795 . 1 . 1 180 180 ASP CA C 13 50.7257 0.0000 . 1 . . 51421 . . 380 ASP CA . 50000 1 796 . 1 . 1 180 180 ASP CB C 13 41.7595 0.0000 . 1 . . 71114 . . 380 ASP CB . 50000 1 797 . 1 . 1 180 180 ASP N N 15 122.7270 0.0000 . 1 . . 43630 . . 380 ASP N . 50000 1 798 . 1 . 1 181 181 ASP H H 1 8.7144 0.0000 . 1 . . 43707 . . 381 ASP H . 50000 1 799 . 1 . 1 181 181 ASP C C 13 176.1801 0.0000 . 1 . . 46583 . . 381 ASP C . 50000 1 800 . 1 . 1 181 181 ASP CA C 13 58.5635 0.0000 . 1 . . 45152 . . 381 ASP CA . 50000 1 801 . 1 . 1 181 181 ASP CB C 13 42.9594 0.0000 . 1 . . 64522 . . 381 ASP CB . 50000 1 802 . 1 . 1 181 181 ASP N N 15 116.6578 0.0000 . 1 . . 43708 . . 381 ASP N . 50000 1 803 . 1 . 1 182 182 SER H H 1 8.1292 0.0000 . 1 . . 45153 . . 382 SER H . 50000 1 804 . 1 . 1 182 182 SER C C 13 176.5083 0.0000 . 1 . . 51451 . . 382 SER C . 50000 1 805 . 1 . 1 182 182 SER CA C 13 61.1688 0.0000 . 1 . . 44900 . . 382 SER CA . 50000 1 806 . 1 . 1 182 182 SER CB C 13 67.5096 0.0000 . 1 . . 64528 . . 382 SER CB . 50000 1 807 . 1 . 1 182 182 SER N N 15 116.5152 0.0000 . 1 . . 45154 . . 382 SER N . 50000 1 808 . 1 . 1 183 183 ASP H H 1 7.5737 0.0000 . 1 . . 48998 . . 383 ASP H . 50000 1 809 . 1 . 1 183 183 ASP C C 13 179.1183 0.0000 . 1 . . 69790 . . 383 ASP C . 50000 1 810 . 1 . 1 183 183 ASP CA C 13 56.3476 0.0000 . 1 . . 69792 . . 383 ASP CA . 50000 1 811 . 1 . 1 183 183 ASP CB C 13 42.5530 0.0000 . 1 . . 71105 . . 383 ASP CB . 50000 1 812 . 1 . 1 183 183 ASP N N 15 123.1140 0.0000 . 1 . . 48999 . . 383 ASP N . 50000 1 813 . 1 . 1 184 184 LEU H H 1 8.6024 0.0000 . 1 . . 51452 . . 384 LEU H . 50000 1 814 . 1 . 1 184 184 LEU CA C 13 56.9690 0.0000 . 1 . . 67735 . . 384 LEU CA . 50000 1 815 . 1 . 1 184 184 LEU N N 15 120.2574 0.0000 . 1 . . 51453 . . 384 LEU N . 50000 1 816 . 1 . 1 185 185 ALA H H 1 8.0188 0.0000 . 1 . . 51479 . . 385 ALA H . 50000 1 817 . 1 . 1 185 185 ALA CA C 13 54.7993 0.0000 . 1 . . 51499 . . 385 ALA CA . 50000 1 818 . 1 . 1 185 185 ALA CB C 13 16.4014 0.0000 . 1 . . 71102 . . 385 ALA CB . 50000 1 819 . 1 . 1 185 185 ALA N N 15 118.7735 0.0000 . 1 . . 51480 . . 385 ALA N . 50000 1 820 . 1 . 1 186 186 ILE H H 1 7.0246 0.0000 . 1 . . 51491 . . 386 ILE H . 50000 1 821 . 1 . 1 186 186 ILE C C 13 176.7928 0.0000 . 1 . . 51505 . . 386 ILE C . 50000 1 822 . 1 . 1 186 186 ILE CA C 13 63.4482 0.0000 . 1 . . 51502 . . 386 ILE CA . 50000 1 823 . 1 . 1 186 186 ILE CB C 13 36.9920 0.0000 . 1 . . 67727 . . 386 ILE CB . 50000 1 824 . 1 . 1 186 186 ILE N N 15 115.3983 0.0000 . 1 . . 51492 . . 386 ILE N . 50000 1 825 . 1 . 1 190 190 VAL C C 13 177.4900 0.0000 . 1 . . 67745 . . 390 VAL C . 50000 1 826 . 1 . 1 190 190 VAL CA C 13 64.4119 0.0000 . 1 . . 43760 . . 390 VAL CA . 50000 1 827 . 1 . 1 190 190 VAL CB C 13 31.7247 0.0000 . 1 . . 67324 . . 390 VAL CB . 50000 1 828 . 1 . 1 191 191 ILE H H 1 8.4282 0.0000 . 1 . . 43758 . . 391 ILE H . 50000 1 829 . 1 . 1 191 191 ILE C C 13 179.3362 0.0000 . 1 . . 46172 . . 391 ILE C . 50000 1 830 . 1 . 1 191 191 ILE CA C 13 65.8208 0.0000 . 1 . . 45872 . . 391 ILE CA . 50000 1 831 . 1 . 1 191 191 ILE CB C 13 35.5716 0.0000 . 1 . . 66197 . . 391 ILE CB . 50000 1 832 . 1 . 1 191 191 ILE N N 15 123.1623 0.0000 . 1 . . 43759 . . 391 ILE N . 50000 1 833 . 1 . 1 192 192 ILE H H 1 7.2913 0.0000 . 1 . . 42936 . . 392 ILE H . 50000 1 834 . 1 . 1 192 192 ILE C C 13 177.5847 0.0000 . 1 . . 46265 . . 392 ILE C . 50000 1 835 . 1 . 1 192 192 ILE N N 15 116.6113 0.0000 . 1 . . 42937 . . 392 ILE N . 50000 1 836 . 1 . 1 193 193 LEU H H 1 7.4766 0.0000 . 1 . . 49227 . . 393 LEU H . 50000 1 837 . 1 . 1 193 193 LEU C C 13 173.4498 0.0000 . 1 . . 68861 . . 393 LEU C . 50000 1 838 . 1 . 1 193 193 LEU CA C 13 50.9865 0.0000 . 1 . . 68865 . . 393 LEU CA . 50000 1 839 . 1 . 1 193 193 LEU N N 15 125.5321 0.0000 . 1 . . 49228 . . 393 LEU N . 50000 1 840 . 1 . 1 194 194 SER H H 1 6.9226 0.0000 . 1 . . 51506 . . 394 SER H . 50000 1 841 . 1 . 1 194 194 SER CA C 13 57.9490 0.0000 . 1 . . 68872 . . 394 SER CA . 50000 1 842 . 1 . 1 194 194 SER CB C 13 63.5980 0.0000 . 1 . . 66981 . . 394 SER CB . 50000 1 843 . 1 . 1 194 194 SER N N 15 114.1408 0.0000 . 1 . . 51507 . . 394 SER N . 50000 1 844 . 1 . 1 195 195 GLY H H 1 8.5474 0.0000 . 1 . . 68321 . . 395 GLY H . 50000 1 845 . 1 . 1 195 195 GLY C C 13 172.4718 0.0000 . 1 . . 68856 . . 395 GLY C . 50000 1 846 . 1 . 1 195 195 GLY CA C 13 45.1802 0.0000 . 1 . . 68852 . . 395 GLY CA . 50000 1 847 . 1 . 1 195 195 GLY N N 15 111.7309 0.0000 . 1 . . 68322 . . 395 GLY N . 50000 1 848 . 1 . 1 196 196 ASP H H 1 8.1098 0.0000 . 1 . . 46857 . . 396 ASP H . 50000 1 849 . 1 . 1 196 196 ASP C C 13 176.7405 0.0000 . 1 . . 68846 . . 396 ASP C . 50000 1 850 . 1 . 1 196 196 ASP CA C 13 51.6223 0.0000 . 1 . . 68848 . . 396 ASP CA . 50000 1 851 . 1 . 1 196 196 ASP CB C 13 38.6575 0.0000 . 1 . . 71589 . . 396 ASP CB . 50000 1 852 . 1 . 1 196 196 ASP N N 15 116.4796 0.0000 . 1 . . 46858 . . 396 ASP N . 50000 1 853 . 1 . 1 197 197 ARG H H 1 6.6558 0.0000 . 1 . . 43695 . . 397 ARG H . 50000 1 854 . 1 . 1 197 197 ARG C C 13 173.3202 0.0000 . 1 . . 46832 . . 397 ARG C . 50000 1 855 . 1 . 1 197 197 ARG CA C 13 51.7372 0.0000 . 1 . . 45737 . . 397 ARG CA . 50000 1 856 . 1 . 1 197 197 ARG CB C 13 26.7068 0.0000 . 1 . . 65360 . . 397 ARG CB . 50000 1 857 . 1 . 1 197 197 ARG N N 15 116.2638 0.0000 . 1 . . 43696 . . 397 ARG N . 50000 1 858 . 1 . 1 198 198 PRO C C 13 177.5802 0.0000 . 1 . . 46376 . . 398 PRO C . 50000 1 859 . 1 . 1 198 198 PRO CA C 13 62.4520 0.0000 . 1 . . 43115 . . 398 PRO CA . 50000 1 860 . 1 . 1 198 198 PRO CB C 13 30.5635 0.0000 . 1 . . 43115 . . 398 PRO CB . 50000 1 861 . 1 . 1 199 199 GLY H H 1 8.5176 0.0000 . 1 . . 43113 . . 399 GLY H . 50000 1 862 . 1 . 1 199 199 GLY C C 13 175.9347 0.0000 . 1 . . 46616 . . 399 GLY C . 50000 1 863 . 1 . 1 199 199 GLY CA C 13 44.8108 0.0000 . 1 . . 43745 . . 399 GLY CA . 50000 1 864 . 1 . 1 199 199 GLY N N 15 107.9927 0.0000 . 1 . . 43114 . . 399 GLY N . 50000 1 865 . 1 . 1 200 200 LEU H H 1 6.8503 0.0000 . 1 . . 43743 . . 400 LEU H . 50000 1 866 . 1 . 1 200 200 LEU C C 13 177.0897 0.0000 . 1 . . 46433 . . 400 LEU C . 50000 1 867 . 1 . 1 200 200 LEU CA C 13 54.0146 0.0000 . 1 . . 45671 . . 400 LEU CA . 50000 1 868 . 1 . 1 200 200 LEU CB C 13 41.8368 0.0000 . 1 . . 71643 . . 400 LEU CB . 50000 1 869 . 1 . 1 200 200 LEU N N 15 120.0233 0.0000 . 1 . . 43744 . . 400 LEU N . 50000 1 870 . 1 . 1 201 201 LEU H H 1 11.5538 0.0000 . 1 . . 47025 . . 401 LEU H . 50000 1 871 . 1 . 1 201 201 LEU C C 13 178.7398 0.0000 . 1 . . 46166 . . 401 LEU C . 50000 1 872 . 1 . 1 201 201 LEU CA C 13 56.2553 0.0000 . 1 . . 45413 . . 401 LEU CA . 50000 1 873 . 1 . 1 201 201 LEU CB C 13 41.0444 0.0000 . 1 . . 64573 . . 401 LEU CB . 50000 1 874 . 1 . 1 201 201 LEU N N 15 128.0805 0.0000 . 1 . . 47026 . . 401 LEU N . 50000 1 875 . 1 . 1 202 202 ASN H H 1 8.9006 0.0000 . 1 . . 43494 . . 402 ASN H . 50000 1 876 . 1 . 1 202 202 ASN C C 13 174.5759 0.0000 . 1 . . 46748 . . 402 ASN C . 50000 1 877 . 1 . 1 202 202 ASN CA C 13 50.5370 0.0000 . 1 . . 45767 . . 402 ASN CA . 50000 1 878 . 1 . 1 202 202 ASN CB C 13 37.7150 0.0000 . 1 . . 64576 . . 402 ASN CB . 50000 1 879 . 1 . 1 202 202 ASN N N 15 119.4270 0.0000 . 1 . . 43495 . . 402 ASN N . 50000 1 880 . 1 . 1 203 203 VAL H H 1 8.3628 0.0000 . 1 . . 43158 . . 403 VAL H . 50000 1 881 . 1 . 1 203 203 VAL C C 13 177.5074 0.0000 . 1 . . 46379 . . 403 VAL C . 50000 1 882 . 1 . 1 203 203 VAL CA C 13 65.5421 0.0000 . 1 . . 44678 . . 403 VAL CA . 50000 1 883 . 1 . 1 203 203 VAL CB C 13 31.4289 0.0000 . 1 . . 71631 . . 403 VAL CB . 50000 1 884 . 1 . 1 203 203 VAL N N 15 122.3745 0.0000 . 1 . . 43159 . . 403 VAL N . 50000 1 885 . 1 . 1 204 204 LYS H H 1 8.2746 0.0000 . 1 . . 47950 . . 404 LYS H . 50000 1 886 . 1 . 1 204 204 LYS C C 13 174.8372 0.0000 . 1 . . 47958 . . 404 LYS C . 50000 1 887 . 1 . 1 204 204 LYS CA C 13 60.2114 0.0000 . 1 . . 47955 . . 404 LYS CA . 50000 1 888 . 1 . 1 204 204 LYS CB C 13 28.2247 0.0000 . 1 . . 64585 . . 404 LYS CB . 50000 1 889 . 1 . 1 204 204 LYS N N 15 121.3755 0.0000 . 1 . . 47951 . . 404 LYS N . 50000 1 890 . 1 . 1 205 205 PRO C C 13 179.4465 0.0000 . 1 . . 46070 . . 405 PRO C . 50000 1 891 . 1 . 1 205 205 PRO CA C 13 64.8845 0.0000 . 1 . . 42974 . . 405 PRO CA . 50000 1 892 . 1 . 1 205 205 PRO CB C 13 29.7852 0.0000 . 1 . . 65753 . . 405 PRO CB . 50000 1 893 . 1 . 1 206 206 ILE H H 1 6.7272 0.0000 . 1 . . 46068 . . 406 ILE H . 50000 1 894 . 1 . 1 206 206 ILE C C 13 177.0939 0.0000 . 1 . . 46436 . . 406 ILE C . 50000 1 895 . 1 . 1 206 206 ILE CA C 13 64.5917 0.0000 . 1 . . 44738 . . 406 ILE CA . 50000 1 896 . 1 . 1 206 206 ILE CB C 13 37.4392 0.0000 . 1 . . 65750 . . 406 ILE CB . 50000 1 897 . 1 . 1 206 206 ILE N N 15 118.4543 0.0000 . 1 . . 46069 . . 406 ILE N . 50000 1 898 . 1 . 1 207 207 GLU H H 1 8.0372 0.0000 . 1 . . 66554 . . 407 GLU H . 50000 1 899 . 1 . 1 207 207 GLU C C 13 179.2251 0.0000 . 1 . . 66621 . . 407 GLU C . 50000 1 900 . 1 . 1 207 207 GLU CA C 13 58.6012 0.0000 . 1 . . 66559 . . 407 GLU CA . 50000 1 901 . 1 . 1 207 207 GLU CB C 13 28.1756 0.0000 . 1 . . 66571 . . 407 GLU CB . 50000 1 902 . 1 . 1 207 207 GLU N N 15 120.2502 0.0000 . 1 . . 66555 . . 407 GLU N . 50000 1 903 . 1 . 1 208 208 ASP H H 1 8.4090 0.0000 . 1 . . 43314 . . 408 ASP H . 50000 1 904 . 1 . 1 208 208 ASP C C 13 179.5150 0.0000 . 1 . . 46091 . . 408 ASP C . 50000 1 905 . 1 . 1 208 208 ASP CA C 13 56.9740 0.0000 . 1 . . 45344 . . 408 ASP CA . 50000 1 906 . 1 . 1 208 208 ASP CB C 13 39.0844 0.0000 . 1 . . 64543 . . 408 ASP CB . 50000 1 907 . 1 . 1 208 208 ASP N N 15 118.9357 0.0000 . 1 . . 43315 . . 408 ASP N . 50000 1 908 . 1 . 1 209 209 ILE H H 1 7.3828 0.0000 . 1 . . 43431 . . 409 ILE H . 50000 1 909 . 1 . 1 209 209 ILE C C 13 179.0273 0.0000 . 1 . . 46910 . . 409 ILE C . 50000 1 910 . 1 . 1 209 209 ILE CA C 13 64.7527 0.0000 . 1 . . 44735 . . 409 ILE CA . 50000 1 911 . 1 . 1 209 209 ILE CB C 13 37.6473 0.0000 . 1 . . 64549 . . 409 ILE CB . 50000 1 912 . 1 . 1 209 209 ILE N N 15 120.5911 0.0000 . 1 . . 43432 . . 409 ILE N . 50000 1 913 . 1 . 1 210 210 GLN H H 1 9.0060 0.0000 . 1 . . 50484 . . 410 GLN H . 50000 1 914 . 1 . 1 210 210 GLN C C 13 178.2545 0.0000 . 1 . . 50535 . . 410 GLN C . 50000 1 915 . 1 . 1 210 210 GLN CA C 13 59.2987 0.0000 . 1 . . 50519 . . 410 GLN CA . 50000 1 916 . 1 . 1 210 210 GLN CB C 13 27.0130 0.0000 . 1 . . 64555 . . 410 GLN CB . 50000 1 917 . 1 . 1 210 210 GLN N N 15 121.4412 0.0000 . 1 . . 50485 . . 410 GLN N . 50000 1 918 . 1 . 1 211 211 ASP H H 1 8.8729 0.0000 . 1 . . 47448 . . 411 ASP H . 50000 1 919 . 1 . 1 211 211 ASP C C 13 178.6428 0.0000 . 1 . . 46262 . . 411 ASP C . 50000 1 920 . 1 . 1 211 211 ASP CA C 13 57.4060 0.0000 . 1 . . 45311 . . 411 ASP CA . 50000 1 921 . 1 . 1 211 211 ASP CB C 13 40.0289 0.0000 . 1 . . 65587 . . 411 ASP CB . 50000 1 922 . 1 . 1 211 211 ASP N N 15 117.9989 0.0000 . 1 . . 47449 . . 411 ASP N . 50000 1 923 . 1 . 1 212 212 ASN H H 1 7.1477 0.0000 . 1 . . 43416 . . 412 ASN H . 50000 1 924 . 1 . 1 212 212 ASN C C 13 177.4779 0.0000 . 1 . . 46391 . . 412 ASN C . 50000 1 925 . 1 . 1 212 212 ASN CA C 13 55.9997 0.0000 . 1 . . 45932 . . 412 ASN CA . 50000 1 926 . 1 . 1 212 212 ASN CB C 13 38.3562 0.0000 . 1 . . 71529 . . 412 ASN CB . 50000 1 927 . 1 . 1 212 212 ASN N N 15 118.2849 0.0000 . 1 . . 43417 . . 412 ASN N . 50000 1 928 . 1 . 1 213 213 LEU H H 1 8.2412 0.0000 . 1 . . 50536 . . 413 LEU H . 50000 1 929 . 1 . 1 213 213 LEU C C 13 179.0757 0.0000 . 1 . . 65575 . . 413 LEU C . 50000 1 930 . 1 . 1 213 213 LEU CA C 13 57.0479 0.0000 . 1 . . 65577 . . 413 LEU CA . 50000 1 931 . 1 . 1 213 213 LEU CB C 13 41.4441 0.0000 . 1 . . 71526 . . 413 LEU CB . 50000 1 932 . 1 . 1 213 213 LEU N N 15 119.1730 0.0000 . 1 . . 50537 . . 413 LEU N . 50000 1 933 . 1 . 1 214 214 LEU H H 1 9.3004 0.0000 . 1 . . 50554 . . 414 LEU H . 50000 1 934 . 1 . 1 214 214 LEU CA C 13 59.0115 0.0000 . 1 . . 67040 . . 414 LEU CA . 50000 1 935 . 1 . 1 214 214 LEU N N 15 121.4524 0.0000 . 1 . . 50555 . . 414 LEU N . 50000 1 936 . 1 . 1 215 215 GLN C C 13 179.8793 0.0000 . 1 . . 50704 . . 415 GLN C . 50000 1 937 . 1 . 1 215 215 GLN CA C 13 54.8316 0.0000 . 1 . . . . . 415 GLN CA . 50000 1 938 . 1 . 1 215 215 GLN CB C 13 27.9150 0.0000 . 1 . . 72393 . . 415 GLN CB . 50000 1 939 . 1 . 1 216 216 ALA H H 1 8.2973 0.0000 . 1 . . 50702 . . 416 ALA H . 50000 1 940 . 1 . 1 216 216 ALA C C 13 179.9208 0.0000 . 1 . . 72390 . . 416 ALA C . 50000 1 941 . 1 . 1 216 216 ALA CA C 13 54.2289 0.0000 . 1 . . 72382 . . 416 ALA CA . 50000 1 942 . 1 . 1 216 216 ALA CB C 13 16.3237 0.0000 . 1 . . 67292 . . 416 ALA CB . 50000 1 943 . 1 . 1 216 216 ALA N N 15 122.2385 0.0000 . 1 . . 50703 . . 416 ALA N . 50000 1 944 . 1 . 1 217 217 LEU H H 1 9.1159 0.0000 . 1 . . 50782 . . 417 LEU H . 50000 1 945 . 1 . 1 217 217 LEU CA C 13 57.2063 0.0000 . 1 . . 71219 . . 417 LEU CA . 50000 1 946 . 1 . 1 217 217 LEU CB C 13 40.2904 0.0000 . 1 . . 65574 . . 417 LEU CB . 50000 1 947 . 1 . 1 217 217 LEU N N 15 122.2643 0.0000 . 1 . . 50783 . . 417 LEU N . 50000 1 948 . 1 . 1 218 218 GLU C C 13 178.5443 0.0000 . 1 . . 47408 . . 418 GLU C . 50000 1 949 . 1 . 1 218 218 GLU CA C 13 59.7034 0.0000 . 1 . . 43247 . . 418 GLU CA . 50000 1 950 . 1 . 1 218 218 GLU CB C 13 27.4256 0.0000 . 1 . . 71745 . . 418 GLU CB . 50000 1 951 . 1 . 1 219 219 LEU H H 1 7.3282 0.0000 . 1 . . 43245 . . 419 LEU H . 50000 1 952 . 1 . 1 219 219 LEU C C 13 177.4039 0.0000 . 1 . . 46409 . . 419 LEU C . 50000 1 953 . 1 . 1 219 219 LEU CA C 13 57.0010 0.0000 . 1 . . 45308 . . 419 LEU CA . 50000 1 954 . 1 . 1 219 219 LEU CB C 13 40.4940 0.0000 . 1 . . 71733 . . 419 LEU CB . 50000 1 955 . 1 . 1 219 219 LEU N N 15 118.3584 0.0000 . 1 . . 43246 . . 419 LEU N . 50000 1 956 . 1 . 1 220 220 GLN H H 1 7.9362 0.0000 . 1 . . 50819 . . 420 GLN H . 50000 1 957 . 1 . 1 220 220 GLN C C 13 177.8940 0.0000 . 1 . . 50863 . . 420 GLN C . 50000 1 958 . 1 . 1 220 220 GLN CA C 13 57.4646 0.0000 . 1 . . 50855 . . 420 GLN CA . 50000 1 959 . 1 . 1 220 220 GLN CB C 13 26.3391 0.0000 . 1 . . 67637 . . 420 GLN CB . 50000 1 960 . 1 . 1 220 220 GLN N N 15 118.2040 0.0000 . 1 . . 50820 . . 420 GLN N . 50000 1 961 . 1 . 1 221 221 LEU C C 13 179.3785 0.0000 . 1 . . 48651 . . 421 LEU C . 50000 1 962 . 1 . 1 221 221 LEU CA C 13 57.4445 0.0000 . 1 . . 67599 . . 421 LEU CA . 50000 1 963 . 1 . 1 221 221 LEU CB C 13 37.0403 0.0000 . 1 . . 67603 . . 421 LEU CB . 50000 1 964 . 1 . 1 222 222 LYS H H 1 7.7354 0.0000 . 1 . . 48643 . . 422 LYS H . 50000 1 965 . 1 . 1 222 222 LYS C C 13 178.4320 0.0000 . 1 . . 67624 . . 422 LYS C . 50000 1 966 . 1 . 1 222 222 LYS CA C 13 58.5660 0.0000 . 1 . . 67628 . . 422 LYS CA . 50000 1 967 . 1 . 1 222 222 LYS CB C 13 31.1155 0.0000 . 1 . . 67630 . . 422 LYS CB . 50000 1 968 . 1 . 1 222 222 LYS N N 15 120.5653 0.0000 . 1 . . 48644 . . 422 LYS N . 50000 1 969 . 1 . 1 223 223 LEU H H 1 7.9308 0.0000 . 1 . . 43320 . . 423 LEU H . 50000 1 970 . 1 . 1 223 223 LEU C C 13 179.1707 0.0000 . 1 . . 67574 . . 423 LEU C . 50000 1 971 . 1 . 1 223 223 LEU CA C 13 55.8875 0.0000 . 1 . . 67578 . . 423 LEU CA . 50000 1 972 . 1 . 1 223 223 LEU CB C 13 40.9752 0.0000 . 1 . . 67561 . . 423 LEU CB . 50000 1 973 . 1 . 1 223 223 LEU N N 15 116.5849 0.0000 . 1 . . 43321 . . 423 LEU N . 50000 1 974 . 1 . 1 224 224 ASN H H 1 8.4698 0.0000 . 1 . . 67526 . . 424 ASN H . 50000 1 975 . 1 . 1 224 224 ASN C C 13 175.1258 0.0000 . 1 . . 67567 . . 424 ASN C . 50000 1 976 . 1 . 1 224 224 ASN CA C 13 52.4846 0.0000 . 1 . . 67558 . . 424 ASN CA . 50000 1 977 . 1 . 1 224 224 ASN CB C 13 39.6705 0.0000 . 1 . . 67531 . . 424 ASN CB . 50000 1 978 . 1 . 1 224 224 ASN N N 15 115.7628 0.0000 . 1 . . 67527 . . 424 ASN N . 50000 1 979 . 1 . 1 225 225 HIS H H 1 7.6053 0.0000 . 1 . . 42786 . . 425 HIS H . 50000 1 980 . 1 . 1 225 225 HIS C C 13 172.9124 0.0000 . 1 . . 46841 . . 425 HIS C . 50000 1 981 . 1 . 1 225 225 HIS CA C 13 51.3405 0.0000 . 1 . . 45743 . . 425 HIS CA . 50000 1 982 . 1 . 1 225 225 HIS CB C 13 27.4927 0.0000 . 1 . . 67455 . . 425 HIS CB . 50000 1 983 . 1 . 1 225 225 HIS N N 15 114.2359 0.0000 . 1 . . 42787 . . 425 HIS N . 50000 1 984 . 1 . 1 226 226 PRO C C 13 177.9904 0.0000 . 1 . . 46319 . . 426 PRO C . 50000 1 985 . 1 . 1 226 226 PRO CA C 13 64.3282 0.0000 . 1 . . 43064 . . 426 PRO CA . 50000 1 986 . 1 . 1 226 226 PRO CB C 13 30.7280 0.0000 . 1 . . 66627 . . 426 PRO CB . 50000 1 987 . 1 . 1 227 227 GLU H H 1 8.9339 0.0000 . 1 . . 43062 . . 427 GLU H . 50000 1 988 . 1 . 1 227 227 GLU C C 13 176.3950 0.0000 . 1 . . 66913 . . 427 GLU C . 50000 1 989 . 1 . 1 227 227 GLU CA C 13 55.6600 0.0000 . 1 . . 66915 . . 427 GLU CA . 50000 1 990 . 1 . 1 227 227 GLU CB C 13 27.6569 0.0000 . 1 . . 66630 . . 427 GLU CB . 50000 1 991 . 1 . 1 227 227 GLU N N 15 117.2600 0.0000 . 1 . . 43063 . . 427 GLU N . 50000 1 992 . 1 . 1 228 228 SER H H 1 7.5143 0.0000 . 1 . . 66673 . . 428 SER H . 50000 1 993 . 1 . 1 228 228 SER C C 13 174.6934 0.0000 . 1 . . 47183 . . 428 SER C . 50000 1 994 . 1 . 1 228 228 SER CA C 13 55.9843 0.0000 . 1 . . 43502 . . 428 SER CA . 50000 1 995 . 1 . 1 228 228 SER CB C 13 62.2960 0.0000 . 1 . . 71475 . . 428 SER CB . 50000 1 996 . 1 . 1 228 228 SER N N 15 116.7400 0.0000 . 1 . . 66674 . . 428 SER N . 50000 1 997 . 1 . 1 229 229 SER H H 1 8.4921 0.0000 . 1 . . 45885 . . 429 SER H . 50000 1 998 . 1 . 1 229 229 SER C C 13 175.7054 0.0000 . 1 . . 47255 . . 429 SER C . 50000 1 999 . 1 . 1 229 229 SER CA C 13 59.3148 0.0000 . 1 . . 43271 . . 429 SER CA . 50000 1 1000 . 1 . 1 229 229 SER CB C 13 62.4165 0.0000 . 1 . . 71472 . . 429 SER CB . 50000 1 1001 . 1 . 1 229 229 SER N N 15 121.7656 0.0000 . 1 . . 45886 . . 429 SER N . 50000 1 1002 . 1 . 1 230 230 GLN H H 1 8.8692 0.0000 . 1 . . 45063 . . 430 GLN H . 50000 1 1003 . 1 . 1 230 230 GLN C C 13 175.0527 0.0000 . 1 . . 46685 . . 430 GLN C . 50000 1 1004 . 1 . 1 230 230 GLN CA C 13 55.3794 0.0000 . 1 . . 43535 . . 430 GLN CA . 50000 1 1005 . 1 . 1 230 230 GLN CB C 13 26.2117 0.0000 . 1 . . 71469 . . 430 GLN CB . 50000 1 1006 . 1 . 1 230 230 GLN N N 15 120.4994 0.0000 . 1 . . 45064 . . 430 GLN N . 50000 1 1007 . 1 . 1 231 231 LEU H H 1 7.1337 0.0000 . 1 . . 43533 . . 431 LEU H . 50000 1 1008 . 1 . 1 231 231 LEU C C 13 177.3089 0.0000 . 1 . . 46400 . . 431 LEU C . 50000 1 1009 . 1 . 1 231 231 LEU CA C 13 57.7019 0.0000 . 1 . . 45248 . . 431 LEU CA . 50000 1 1010 . 1 . 1 231 231 LEU CB C 13 40.2174 0.0000 . 1 . . 65389 . . 431 LEU CB . 50000 1 1011 . 1 . 1 231 231 LEU N N 15 120.5241 0.0000 . 1 . . 43534 . . 431 LEU N . 50000 1 1012 . 1 . 1 232 232 PHE H H 1 8.5428 0.0000 . 1 . . 46410 . . 432 PHE H . 50000 1 1013 . 1 . 1 232 232 PHE C C 13 175.7895 0.0000 . 1 . . 46649 . . 432 PHE C . 50000 1 1014 . 1 . 1 232 232 PHE CA C 13 60.5267 0.0000 . 1 . . 44957 . . 432 PHE CA . 50000 1 1015 . 1 . 1 232 232 PHE CB C 13 37.6106 0.0000 . 1 . . 65402 . . 432 PHE CB . 50000 1 1016 . 1 . 1 232 232 PHE N N 15 118.1276 0.0000 . 1 . . 46411 . . 432 PHE N . 50000 1 1017 . 1 . 1 233 233 ALA H H 1 8.0389 0.0000 . 1 . . 45114 . . 433 ALA H . 50000 1 1018 . 1 . 1 233 233 ALA C C 13 181.0245 0.0000 . 1 . . 46001 . . 433 ALA C . 50000 1 1019 . 1 . 1 233 233 ALA CA C 13 54.5025 0.0000 . 1 . . 45911 . . 433 ALA CA . 50000 1 1020 . 1 . 1 233 233 ALA CB C 13 17.5271 0.0000 . 1 . . 65420 . . 433 ALA CB . 50000 1 1021 . 1 . 1 233 233 ALA N N 15 120.1850 0.0000 . 1 . . 45115 . . 433 ALA N . 50000 1 1022 . 1 . 1 234 234 LYS H H 1 8.0739 0.0000 . 1 . . 45129 . . 434 LYS H . 50000 1 1023 . 1 . 1 234 234 LYS C C 13 179.8333 0.0000 . 1 . . 46052 . . 434 LYS C . 50000 1 1024 . 1 . 1 234 234 LYS CA C 13 58.6525 0.0000 . 1 . . 45131 . . 434 LYS CA . 50000 1 1025 . 1 . 1 234 234 LYS CB C 13 31.7207 0.0000 . 1 . . 65408 . . 434 LYS CB . 50000 1 1026 . 1 . 1 234 234 LYS N N 15 117.2134 0.0000 . 1 . . 45130 . . 434 LYS N . 50000 1 1027 . 1 . 1 235 235 LEU H H 1 8.7153 0.0000 . 1 . . 43308 . . 435 LEU H . 50000 1 1028 . 1 . 1 235 235 LEU C C 13 178.8010 0.0000 . 1 . . 69784 . . 435 LEU C . 50000 1 1029 . 1 . 1 235 235 LEU CA C 13 56.7357 0.0000 . 1 . . 69786 . . 435 LEU CA . 50000 1 1030 . 1 . 1 235 235 LEU CB C 13 39.9428 0.0000 . 1 . . 69788 . . 435 LEU CB . 50000 1 1031 . 1 . 1 235 235 LEU N N 15 122.4738 0.0000 . 1 . . 43309 . . 435 LEU N . 50000 1 1032 . 1 . 1 236 236 LEU H H 1 8.0945 0.0000 . 1 . . 43461 . . 436 LEU H . 50000 1 1033 . 1 . 1 236 236 LEU C C 13 181.5620 0.0000 . 1 . . 65498 . . 436 LEU C . 50000 1 1034 . 1 . 1 236 236 LEU CA C 13 57.5209 0.0000 . 1 . . 65500 . . 436 LEU CA . 50000 1 1035 . 1 . 1 236 236 LEU CB C 13 39.2751 0.0000 . 1 . . 65405 . . 436 LEU CB . 50000 1 1036 . 1 . 1 236 236 LEU N N 15 119.1300 0.0000 . 1 . . 43462 . . 436 LEU N . 50000 1 1037 . 1 . 1 237 237 GLN H H 1 7.5428 0.0000 . 1 . . 48936 . . 437 GLN H . 50000 1 1038 . 1 . 1 237 237 GLN C C 13 178.3405 0.0000 . 1 . . 67419 . . 437 GLN C . 50000 1 1039 . 1 . 1 237 237 GLN CA C 13 58.0320 0.0000 . 1 . . 67421 . . 437 GLN CA . 50000 1 1040 . 1 . 1 237 237 GLN CB C 13 27.5749 0.0000 . 1 . . 67423 . . 437 GLN CB . 50000 1 1041 . 1 . 1 237 237 GLN N N 15 117.9764 0.0000 . 1 . . 48937 . . 437 GLN N . 50000 1 1042 . 1 . 1 238 238 LYS H H 1 7.8253 0.0000 . 1 . . 51141 . . 438 LYS H . 50000 1 1043 . 1 . 1 238 238 LYS CA C 13 55.5773 0.0000 . 1 . . 70008 . . 438 LYS CA . 50000 1 1044 . 1 . 1 238 238 LYS CB C 13 29.4369 0.0000 . 1 . . 71439 . . 438 LYS CB . 50000 1 1045 . 1 . 1 238 238 LYS N N 15 115.8843 0.0000 . 1 . . 51142 . . 438 LYS N . 50000 1 1046 . 1 . 1 239 239 MET H H 1 7.9151 0.0000 . 1 . . 48906 . . 439 MET H . 50000 1 1047 . 1 . 1 239 239 MET C C 13 178.7457 0.0000 . 1 . . 69973 . . 439 MET C . 50000 1 1048 . 1 . 1 239 239 MET CA C 13 59.7402 0.0000 . 1 . . 69977 . . 439 MET CA . 50000 1 1049 . 1 . 1 239 239 MET CB C 13 31.5535 0.0000 . 1 . . 71442 . . 439 MET CB . 50000 1 1050 . 1 . 1 239 239 MET N N 15 117.6573 0.0000 . 1 . . 48907 . . 439 MET N . 50000 1 1051 . 1 . 1 240 240 THR H H 1 7.4378 0.0000 . 1 . . 43248 . . 440 THR H . 50000 1 1052 . 1 . 1 240 240 THR C C 13 180.1832 0.0000 . 1 . . 64444 . . 440 THR C . 50000 1 1053 . 1 . 1 240 240 THR CA C 13 65.6485 0.0000 . 1 . . 69969 . . 440 THR CA . 50000 1 1054 . 1 . 1 240 240 THR CB C 13 67.4945 0.0000 . 1 . . 71445 . . 440 THR CB . 50000 1 1055 . 1 . 1 240 240 THR N N 15 116.3481 0.0000 . 1 . . 43249 . . 440 THR N . 50000 1 1056 . 1 . 1 241 241 ASP H H 1 7.5678 0.0000 . 1 . . 48961 . . 441 ASP H . 50000 1 1057 . 1 . 1 241 241 ASP C C 13 178.6863 0.0000 . 1 . . 49119 . . 441 ASP C . 50000 1 1058 . 1 . 1 241 241 ASP CA C 13 56.5008 0.0000 . 1 . . 49101 . . 441 ASP CA . 50000 1 1059 . 1 . 1 241 241 ASP CB C 13 42.0836 0.0000 . 1 . . . . . 441 ASP CB . 50000 1 1060 . 1 . 1 241 241 ASP N N 15 123.0883 0.0000 . 1 . . 48962 . . 441 ASP N . 50000 1 1061 . 1 . 1 242 242 LEU C C 13 178.1040 0.0000 . 1 . . . . . 442 LEU C . 50000 1 1062 . 1 . 1 242 242 LEU CA C 13 57.2056 0.0000 . 1 . . . . . 442 LEU CA . 50000 1 1063 . 1 . 1 242 242 LEU CB C 13 42.1691 0.0000 . 1 . . . . . 442 LEU CB . 50000 1 1064 . 1 . 1 243 243 ARG H H 1 7.3561 0.0000 . 1 . . 46299 . . 443 ARG H . 50000 1 1065 . 1 . 1 243 243 ARG C C 13 179.4653 0.0000 . 1 . . . . . 443 ARG C . 50000 1 1066 . 1 . 1 243 243 ARG CA C 13 58.9684 0.0000 . 1 . . . . . 443 ARG CA . 50000 1 1067 . 1 . 1 243 243 ARG CB C 13 28.1711 0.0000 . 1 . . . . . 443 ARG CB . 50000 1 1068 . 1 . 1 243 243 ARG N N 15 116.8356 0.0000 . 1 . . 46300 . . 443 ARG N . 50000 1 1069 . 1 . 1 244 244 GLN H H 1 7.7446 0.0000 . 1 . . 43284 . . 444 GLN H . 50000 1 1070 . 1 . 1 244 244 GLN C C 13 178.1623 0.0000 . 1 . . . . . 444 GLN C . 50000 1 1071 . 1 . 1 244 244 GLN CA C 13 57.8486 0.0000 . 1 . . . . . 444 GLN CA . 50000 1 1072 . 1 . 1 244 244 GLN CB C 13 26.6063 0.0000 . 1 . . . . . 444 GLN CB . 50000 1 1073 . 1 . 1 244 244 GLN N N 15 119.4290 0.0000 . 1 . . 43285 . . 444 GLN N . 50000 1 1074 . 1 . 1 245 245 ILE H H 1 7.7826 0.0000 . 1 . . 43365 . . 445 ILE H . 50000 1 1075 . 1 . 1 245 245 ILE C C 13 179.2331 0.0000 . 1 . . 70856 . . 445 ILE C . 50000 1 1076 . 1 . 1 245 245 ILE CA C 13 63.9515 0.0000 . 1 . . 70860 . . 445 ILE CA . 50000 1 1077 . 1 . 1 245 245 ILE CB C 13 36.0376 0.0000 . 1 . . 71207 . . 445 ILE CB . 50000 1 1078 . 1 . 1 245 245 ILE N N 15 119.9175 0.0000 . 1 . . 43366 . . 445 ILE N . 50000 1 1079 . 1 . 1 246 246 VAL H H 1 7.5147 0.0000 . 1 . . 44802 . . 446 VAL H . 50000 1 1080 . 1 . 1 246 246 VAL C C 13 178.9056 0.0000 . 1 . . 70864 . . 446 VAL C . 50000 1 1081 . 1 . 1 246 246 VAL CA C 13 67.3609 0.0000 . 1 . . 70868 . . 446 VAL CA . 50000 1 1082 . 1 . 1 246 246 VAL CB C 13 30.7059 0.0000 . 1 . . 70870 . . 446 VAL CB . 50000 1 1083 . 1 . 1 246 246 VAL N N 15 120.7434 0.0000 . 1 . . 44803 . . 446 VAL N . 50000 1 1084 . 1 . 1 247 247 THR H H 1 8.1475 0.0000 . 1 . . 42870 . . 447 THR H . 50000 1 1085 . 1 . 1 247 247 THR CA C 13 65.8211 0.0000 . 1 . . 70827 . . 447 THR CA . 50000 1 1086 . 1 . 1 247 247 THR CB C 13 68.0760 0.0000 . 1 . . 70829 . . 447 THR CB . 50000 1 1087 . 1 . 1 247 247 THR N N 15 116.9375 0.0000 . 1 . . 42871 . . 447 THR N . 50000 1 1088 . 1 . 1 248 248 GLU H H 1 8.1040 0.0000 . 1 . . 42933 . . 448 GLU H . 50000 1 1089 . 1 . 1 248 248 GLU C C 13 178.4964 0.0000 . 1 . . 70817 . . 448 GLU C . 50000 1 1090 . 1 . 1 248 248 GLU CA C 13 58.0482 0.0000 . 1 . . 70821 . . 448 GLU CA . 50000 1 1091 . 1 . 1 248 248 GLU CB C 13 27.4020 0.0000 . 1 . . 71198 . . 448 GLU CB . 50000 1 1092 . 1 . 1 248 248 GLU N N 15 121.2618 0.0000 . 1 . . 42934 . . 448 GLU N . 50000 1 1093 . 1 . 1 249 249 HIS H H 1 7.7417 0.0000 . 1 . . 43350 . . 449 HIS H . 50000 1 1094 . 1 . 1 249 249 HIS C C 13 176.3521 0.0000 . 1 . . 71296 . . 449 HIS C . 50000 1 1095 . 1 . 1 249 249 HIS CA C 13 59.9208 0.0000 . 1 . . 71300 . . 449 HIS CA . 50000 1 1096 . 1 . 1 249 249 HIS CB C 13 28.8351 0.0000 . 1 . . 71195 . . 449 HIS CB . 50000 1 1097 . 1 . 1 249 249 HIS N N 15 121.9120 0.0000 . 1 . . 43351 . . 449 HIS N . 50000 1 1098 . 1 . 1 250 250 VAL H H 1 7.2705 0.0000 . 1 . . 43239 . . 450 VAL H . 50000 1 1099 . 1 . 1 250 250 VAL CA C 13 65.4663 0.0000 . 1 . . 71290 . . 450 VAL CA . 50000 1 1100 . 1 . 1 250 250 VAL CB C 13 30.4423 0.0000 . 1 . . 71292 . . 450 VAL CB . 50000 1 1101 . 1 . 1 250 250 VAL N N 15 116.0348 0.0000 . 1 . . 43240 . . 450 VAL N . 50000 1 1102 . 1 . 1 251 251 GLN H H 1 7.2067 0.0000 . 1 . . 48533 . . 451 GLN H . 50000 1 1103 . 1 . 1 251 251 GLN C C 13 178.6103 0.0000 . 1 . . 66797 . . 451 GLN C . 50000 1 1104 . 1 . 1 251 251 GLN CA C 13 57.5691 0.0000 . 1 . . 66801 . . 451 GLN CA . 50000 1 1105 . 1 . 1 251 251 GLN CB C 13 26.8225 0.0000 . 1 . . 66803 . . 451 GLN CB . 50000 1 1106 . 1 . 1 251 251 GLN N N 15 118.6462 0.0000 . 1 . . 48534 . . 451 GLN N . 50000 1 1107 . 1 . 1 252 252 LEU H H 1 7.8565 0.0000 . 1 . . 43395 . . 452 LEU H . 50000 1 1108 . 1 . 1 252 252 LEU C C 13 178.8330 0.0000 . 1 . . 46175 . . 452 LEU C . 50000 1 1109 . 1 . 1 252 252 LEU CA C 13 56.9720 0.0000 . 1 . . 45866 . . 452 LEU CA . 50000 1 1110 . 1 . 1 252 252 LEU CB C 13 40.0231 0.0000 . 1 . . 65202 . . 452 LEU CB . 50000 1 1111 . 1 . 1 252 252 LEU N N 15 123.3192 0.0000 . 1 . . 43396 . . 452 LEU N . 50000 1 1112 . 1 . 1 253 253 LEU H H 1 7.6078 0.0000 . 1 . . 43446 . . 453 LEU H . 50000 1 1113 . 1 . 1 253 253 LEU C C 13 179.3219 0.0000 . 1 . . 70773 . . 453 LEU C . 50000 1 1114 . 1 . 1 253 253 LEU CA C 13 57.2056 0.0000 . 1 . . 70775 . . 453 LEU CA . 50000 1 1115 . 1 . 1 253 253 LEU CB C 13 39.9021 0.0000 . 1 . . 71183 . . 453 LEU CB . 50000 1 1116 . 1 . 1 253 253 LEU N N 15 117.8158 0.0000 . 1 . . 43447 . . 453 LEU N . 50000 1 1117 . 1 . 1 254 254 GLN H H 1 7.2418 0.0000 . 1 . . 43422 . . 454 GLN H . 50000 1 1118 . 1 . 1 254 254 GLN C C 13 178.4943 0.0000 . 1 . . 46964 . . 454 GLN C . 50000 1 1119 . 1 . 1 254 254 GLN CA C 13 57.5684 0.0000 . 1 . . 45293 . . 454 GLN CA . 50000 1 1120 . 1 . 1 254 254 GLN CB C 13 26.8497 0.0000 . 1 . . 71180 . . 454 GLN CB . 50000 1 1121 . 1 . 1 254 254 GLN N N 15 116.7838 0.0000 . 1 . . 43423 . . 454 GLN N . 50000 1 1122 . 1 . 1 255 255 VAL H H 1 7.6833 0.0000 . 1 . . 44697 . . 455 VAL H . 50000 1 1123 . 1 . 1 255 255 VAL C C 13 179.9881 0.0000 . 1 . . 51073 . . 455 VAL C . 50000 1 1124 . 1 . 1 255 255 VAL CA C 13 65.3063 0.0000 . 1 . . 51047 . . 455 VAL CA . 50000 1 1125 . 1 . 1 255 255 VAL CB C 13 30.6753 0.0000 . 1 . . 71177 . . 455 VAL CB . 50000 1 1126 . 1 . 1 255 255 VAL N N 15 120.4513 0.0000 . 1 . . 44698 . . 455 VAL N . 50000 1 1127 . 1 . 1 256 256 ILE H H 1 8.3048 0.0000 . 1 . . 47220 . . 456 ILE H . 50000 1 1128 . 1 . 1 256 256 ILE C C 13 177.9103 0.0000 . 1 . . 67911 . . 456 ILE C . 50000 1 1129 . 1 . 1 256 256 ILE CA C 13 63.9126 0.0000 . 1 . . 51066 . . 456 ILE CA . 50000 1 1130 . 1 . 1 256 256 ILE CB C 13 36.4968 0.0000 . 1 . . 67910 . . 456 ILE CB . 50000 1 1131 . 1 . 1 256 256 ILE N N 15 121.0964 0.0000 . 1 . . 47221 . . 456 ILE N . 50000 1 1132 . 1 . 1 257 257 LYS H H 1 7.6281 0.0000 . 1 . . 45252 . . 457 LYS H . 50000 1 1133 . 1 . 1 257 257 LYS C C 13 177.4382 0.0000 . 1 . . 67927 . . 457 LYS C . 50000 1 1134 . 1 . 1 257 257 LYS CA C 13 57.8176 0.0000 . 1 . . 67931 . . 457 LYS CA . 50000 1 1135 . 1 . 1 257 257 LYS CB C 13 31.1509 0.0000 . 1 . . 71165 . . 457 LYS CB . 50000 1 1136 . 1 . 1 257 257 LYS N N 15 119.1698 0.0000 . 1 . . 45253 . . 457 LYS N . 50000 1 1137 . 1 . 1 258 258 LYS H H 1 7.3183 0.0000 . 1 . . 43374 . . 458 LYS H . 50000 1 1138 . 1 . 1 258 258 LYS C C 13 176.3680 0.0000 . 1 . . 66678 . . 458 LYS C . 50000 1 1139 . 1 . 1 258 258 LYS CA C 13 55.6600 0.0000 . 1 . . 66680 . . 458 LYS CA . 50000 1 1140 . 1 . 1 258 258 LYS CB C 13 31.6866 0.0000 . 1 . . 66682 . . 458 LYS CB . 50000 1 1141 . 1 . 1 258 258 LYS N N 15 116.4011 0.0000 . 1 . . 43375 . . 458 LYS N . 50000 1 1142 . 1 . 1 259 259 THR H H 1 7.5128 0.0000 . 1 . . 44823 . . 459 THR H . 50000 1 1143 . 1 . 1 259 259 THR C C 13 174.1970 0.0000 . 1 . . 70765 . . 459 THR C . 50000 1 1144 . 1 . 1 259 259 THR CA C 13 62.9997 0.0000 . 1 . . 70769 . . 459 THR CA . 50000 1 1145 . 1 . 1 259 259 THR CB C 13 68.9210 0.0000 . 1 . . 66666 . . 459 THR CB . 50000 1 1146 . 1 . 1 259 259 THR N N 15 116.7080 0.0000 . 1 . . 44824 . . 459 THR N . 50000 1 1147 . 1 . 1 260 260 GLU H H 1 8.7208 0.0000 . 1 . . 43080 . . 460 GLU H . 50000 1 1148 . 1 . 1 260 260 GLU C C 13 176.4236 0.0000 . 1 . . 46517 . . 460 GLU C . 50000 1 1149 . 1 . 1 260 260 GLU CA C 13 55.7717 0.0000 . 1 . . 45473 . . 460 GLU CA . 50000 1 1150 . 1 . 1 260 260 GLU CB C 13 29.1855 0.0000 . 1 . . 66663 . . 460 GLU CB . 50000 1 1151 . 1 . 1 260 260 GLU N N 15 125.3398 0.0000 . 1 . . 43081 . . 460 GLU N . 50000 1 1152 . 1 . 1 261 261 THR C C 13 173.7665 0.0000 . 1 . . 69778 . . 461 THR C . 50000 1 1153 . 1 . 1 261 261 THR CA C 13 60.6444 0.0000 . 1 . . 70745 . . 461 THR CA . 50000 1 1154 . 1 . 1 261 261 THR CB C 13 69.2441 0.0000 . 1 . . 69731 . . 461 THR CB . 50000 1 1155 . 1 . 1 262 262 ASP H H 1 8.2803 0.0000 . 1 . . 43197 . . 462 ASP H . 50000 1 1156 . 1 . 1 262 262 ASP C C 13 176.4694 0.0000 . 1 . . 46520 . . 462 ASP C . 50000 1 1157 . 1 . 1 262 262 ASP CA C 13 54.3944 0.0000 . 1 . . 70742 . . 462 ASP CA . 50000 1 1158 . 1 . 1 262 262 ASP CB C 13 40.5320 0.0000 . 1 . . 67724 . . 462 ASP CB . 50000 1 1159 . 1 . 1 262 262 ASP N N 15 121.1939 0.0000 . 1 . . 43198 . . 462 ASP N . 50000 1 1160 . 1 . 1 263 263 MET H H 1 8.4547 0.0000 . 1 . . 46518 . . 463 MET H . 50000 1 1161 . 1 . 1 263 263 MET C C 13 174.5472 0.0000 . 1 . . 46742 . . 463 MET C . 50000 1 1162 . 1 . 1 263 263 MET CA C 13 54.7376 0.0000 . 1 . . 45569 . . 463 MET CA . 50000 1 1163 . 1 . 1 263 263 MET CB C 13 32.8451 0.0000 . 1 . . 65526 . . 463 MET CB . 50000 1 1164 . 1 . 1 263 263 MET N N 15 124.6580 0.0000 . 1 . . 46519 . . 463 MET N . 50000 1 1165 . 1 . 1 264 264 SER H H 1 7.9709 0.0000 . 1 . . 46980 . . 464 SER H . 50000 1 1166 . 1 . 1 264 264 SER C C 13 173.1626 0.0000 . 1 . . 51622 . . 464 SER C . 50000 1 1167 . 1 . 1 264 264 SER CA C 13 57.8827 0.0000 . 1 . . 45221 . . 464 SER CA . 50000 1 1168 . 1 . 1 264 264 SER CB C 13 63.2800 0.0000 . 1 . . 65520 . . 464 SER CB . 50000 1 1169 . 1 . 1 264 264 SER N N 15 115.5000 0.0000 . 1 . . 46981 . . 464 SER N . 50000 1 1170 . 1 . 1 265 265 LEU H H 1 7.8359 0.0000 . 1 . . 43122 . . 465 LEU H . 50000 1 1171 . 1 . 1 265 265 LEU C C 13 175.5797 0.0000 . 1 . . 46655 . . 465 LEU C . 50000 1 1172 . 1 . 1 265 265 LEU CA C 13 53.4209 0.0000 . 1 . . 45695 . . 465 LEU CA . 50000 1 1173 . 1 . 1 265 265 LEU CB C 13 44.4027 0.0000 . 1 . . 65517 . . 465 LEU CB . 50000 1 1174 . 1 . 1 265 265 LEU N N 15 122.6363 0.0000 . 1 . . 43123 . . 465 LEU N . 50000 1 1175 . 1 . 1 269 269 LEU C C 13 178.7608 0.0000 . 1 . . 51689 . . 469 LEU C . 50000 1 1176 . 1 . 1 269 269 LEU CA C 13 56.6872 0.0000 . 1 . . 51685 . . 469 LEU CA . 50000 1 1177 . 1 . 1 269 269 LEU CB C 13 40.5764 0.0000 . 1 . . 67442 . . 469 LEU CB . 50000 1 1178 . 1 . 1 270 270 GLN H H 1 7.7600 0.0000 . 1 . . 43467 . . 470 GLN H . 50000 1 1179 . 1 . 1 270 270 GLN C C 13 177.3163 0.0000 . 1 . . 69998 . . 470 GLN C . 50000 1 1180 . 1 . 1 270 270 GLN CA C 13 59.5366 0.0000 . 1 . . 70002 . . 470 GLN CA . 50000 1 1181 . 1 . 1 270 270 GLN CB C 13 27.1095 0.0000 . 1 . . 71772 . . 470 GLN CB . 50000 1 1182 . 1 . 1 270 270 GLN N N 15 116.9330 0.0000 . 1 . . 43468 . . 470 GLN N . 50000 1 1183 . 1 . 1 271 271 GLU H H 1 7.2168 0.0000 . 1 . . 45042 . . 471 GLU H . 50000 1 1184 . 1 . 1 271 271 GLU C C 13 178.9469 0.0000 . 1 . . 72303 . . 471 GLU C . 50000 1 1185 . 1 . 1 271 271 GLU CA C 13 57.9224 0.0000 . 1 . . 69197 . . 471 GLU CA . 50000 1 1186 . 1 . 1 271 271 GLU CB C 13 27.8343 0.0000 . 1 . . 72305 . . 471 GLU CB . 50000 1 1187 . 1 . 1 271 271 GLU N N 15 115.3637 0.0000 . 1 . . 45043 . . 471 GLU N . 50000 1 1188 . 1 . 1 272 272 ILE H H 1 7.7531 0.0000 . 1 . . 47244 . . 472 ILE H . 50000 1 1189 . 1 . 1 272 272 ILE CA C 13 64.7092 0.0000 . 1 . . 67336 . . 472 ILE CA . 50000 1 1190 . 1 . 1 272 272 ILE CB C 13 37.0603 0.0000 . 1 . . 70026 . . 472 ILE CB . 50000 1 1191 . 1 . 1 272 272 ILE N N 15 120.5469 0.0000 . 1 . . 47245 . . 472 ILE N . 50000 1 1192 . 1 . 1 273 273 TYR C C 13 175.7075 0.0000 . 1 . . 47315 . . 473 TYR C . 50000 1 1193 . 1 . 1 273 273 TYR CA C 13 54.0591 0.0000 . 1 . . 70404 . . 473 TYR CA . 50000 1 1194 . 1 . 1 273 273 TYR CB C 13 40.0669 0.0000 . 1 . . 71793 . . 473 TYR CB . 50000 1 1195 . 1 . 1 274 274 LYS H H 1 7.9264 0.0000 . 1 . . 46617 . . 474 LYS H . 50000 1 1196 . 1 . 1 274 274 LYS C C 13 175.7246 0.0000 . 1 . . 46619 . . 474 LYS C . 50000 1 1197 . 1 . 1 274 274 LYS CB C 13 31.7746 0.0000 . 1 . . 70509 . . 474 LYS CB . 50000 1 1198 . 1 . 1 274 274 LYS N N 15 119.5223 0.0000 . 1 . . 46618 . . 474 LYS N . 50000 1 1199 . 1 . 1 275 275 ASP H H 1 8.0484 0.0000 . 1 . . 73030 . . 475 ASP H . 50000 1 1200 . 1 . 1 275 275 ASP C C 13 175.7990 0.0000 . 1 . . 47309 . . 475 ASP C . 50000 1 1201 . 1 . 1 275 275 ASP CA C 13 54.2709 0.0000 . 1 . . 43640 . . 475 ASP CA . 50000 1 1202 . 1 . 1 275 275 ASP CB C 13 41.6850 0.0000 . 1 . . 66182 . . 475 ASP CB . 50000 1 1203 . 1 . 1 275 275 ASP N N 15 119.1756 0.0000 . 1 . . 73031 . . 475 ASP N . 50000 1 1204 . 1 . 1 276 276 LEU H H 1 7.4353 0.0000 . 1 . . 43638 . . 476 LEU H . 50000 1 1205 . 1 . 1 276 276 LEU C C 13 171.8988 0.0000 . 1 . . 46880 . . 476 LEU C . 50000 1 1206 . 1 . 1 276 276 LEU CA C 13 52.1042 0.0000 . 1 . . 45728 . . 476 LEU CA . 50000 1 1207 . 1 . 1 276 276 LEU CB C 13 39.8874 0.0000 . 1 . . 66173 . . 476 LEU CB . 50000 1 1208 . 1 . 1 276 276 LEU N N 15 119.7738 0.0000 . 1 . . 43639 . . 476 LEU N . 50000 1 1209 . 1 . 1 277 277 TYR H H 1 6.4988 0.0000 . 1 . . 45723 . . 477 TYR H . 50000 1 1210 . 1 . 1 277 277 TYR C C 13 180.2179 0.0000 . 1 . . 46025 . . 477 TYR C . 50000 1 1211 . 1 . 1 277 277 TYR CA C 13 59.2440 0.0000 . 1 . . 45059 . . 477 TYR CA . 50000 1 1212 . 1 . 1 277 277 TYR CB C 13 40.2092 0.0000 . 1 . . 66188 . . 477 TYR CB . 50000 1 1213 . 1 . 1 277 277 TYR N N 15 121.8931 0.0000 . 1 . . 45724 . . 477 TYR N . 50000 1 stop_ save_