data_51423 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51423 _Entry.Title ; Backbone resonance assignments and relaxation rates for the apo form of the solute binding domain of the ergothioneine transporter EgtU ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-04-29 _Entry.Accession_date 2022-04-29 _Entry.Last_release_date 2022-04-29 _Entry.Original_release_date 2022-04-29 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Katherine Edmonds . A. . . 51423 2 Yifan Zhang . . . . 51423 3 David Giedroc . P. . . 51423 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51423 heteronucl_NOEs 1 51423 heteronucl_T1_relaxation 1 51423 heteronucl_T2_relaxation 1 51423 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 802 51423 '15N chemical shifts' 260 51423 '1H chemical shifts' 260 51423 'T1 relaxation values' 196 51423 'T2 relaxation values' 196 51423 'heteronuclear NOE values' 196 51423 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-12-12 . original BMRB . 51423 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 51424 'ergothioneine-bound form of the solute binding domain of the ergothioneine transporter EgtU' 51423 PDB 7TXK 'Crystal structure of ergothioneine bound form of EgtU SBD' 51423 PDB 7TXL 'Crystal structure of ergothioneine bound form of EgtU SBD' 51423 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51423 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36481738 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Discovery and structure of a widespread bacterial ABC transporter specific for ergothioneine ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 13 _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 7586 _Citation.Page_last 7586 _Citation.Year 2022 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yifan Zhang Y. . . . 51423 1 2 Giovanni Gonzalez-Gutierrez G. . . . 51423 1 3 Katherine Legg K. A. . . 51423 1 4 Brenna Walsh . . . . 51423 1 5 Cristian 'Pis Diez' C. M. . . 51423 1 6 Katherine Edmonds K. A. . . 51423 1 7 David Giedroc D. P. . . 51423 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51423 _Assembly.ID 1 _Assembly.Name 'apo EgtU' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 31032.41 _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 'apo EgtU' 1 $entity_1 . . yes native yes no . . . 51423 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 7TXK . . X-ray 2.5 'ergothioneine-bound form' . 51423 1 yes PDB 7TXL . . X-ray 1.8 'C-terminal mutant of ergothioneine-bound form' . 51423 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ergothioneine uptake' 51423 1 'solute binding for ABC transporter' 51423 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51423 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SHMEKENLIIAGKIGPEPEI LANMYKLLIEENTSMTATVK PNFGTTSFLYEALKKGDIDI YPEFTGTVTESLLQPSPKVS HEPEQVYQVARDGIAKQDHL AYLKPMSYQNTYAVAVPKKI AQEYGLKTISDLKKVEGQLK AGFTLEFNDREDGNKGLQSM YGLNLNVATMQPALRYQAIH SGDIQITDAYSTDAELERYD LQVLEDDKQLFPPYQGAPLM KEALLKKHPELERVLNTLAG KITESQMSQLNYQVGVEGKS AKQVAKEFLQEQGLLKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The first 3 residues of this construct are a cloning artifact. Remaining residues are the soluble, extracellular domain, residues 230-506. ; _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 'not present' _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_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Substrate binding domain of ABC transporter' 51423 1 'ergothioneine uptake' 51423 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 230 SER . 51423 1 2 231 HIS . 51423 1 3 232 MET . 51423 1 4 233 GLU . 51423 1 5 234 LYS . 51423 1 6 235 GLU . 51423 1 7 236 ASN . 51423 1 8 237 LEU . 51423 1 9 238 ILE . 51423 1 10 239 ILE . 51423 1 11 240 ALA . 51423 1 12 241 GLY . 51423 1 13 242 LYS . 51423 1 14 243 ILE . 51423 1 15 244 GLY . 51423 1 16 245 PRO . 51423 1 17 246 GLU . 51423 1 18 247 PRO . 51423 1 19 248 GLU . 51423 1 20 249 ILE . 51423 1 21 250 LEU . 51423 1 22 251 ALA . 51423 1 23 252 ASN . 51423 1 24 253 MET . 51423 1 25 254 TYR . 51423 1 26 255 LYS . 51423 1 27 256 LEU . 51423 1 28 257 LEU . 51423 1 29 258 ILE . 51423 1 30 259 GLU . 51423 1 31 260 GLU . 51423 1 32 261 ASN . 51423 1 33 262 THR . 51423 1 34 263 SER . 51423 1 35 264 MET . 51423 1 36 265 THR . 51423 1 37 266 ALA . 51423 1 38 267 THR . 51423 1 39 268 VAL . 51423 1 40 269 LYS . 51423 1 41 270 PRO . 51423 1 42 271 ASN . 51423 1 43 272 PHE . 51423 1 44 273 GLY . 51423 1 45 274 THR . 51423 1 46 275 THR . 51423 1 47 276 SER . 51423 1 48 277 PHE . 51423 1 49 278 LEU . 51423 1 50 279 TYR . 51423 1 51 280 GLU . 51423 1 52 281 ALA . 51423 1 53 282 LEU . 51423 1 54 283 LYS . 51423 1 55 284 LYS . 51423 1 56 285 GLY . 51423 1 57 286 ASP . 51423 1 58 287 ILE . 51423 1 59 288 ASP . 51423 1 60 289 ILE . 51423 1 61 290 TYR . 51423 1 62 291 PRO . 51423 1 63 292 GLU . 51423 1 64 293 PHE . 51423 1 65 294 THR . 51423 1 66 295 GLY . 51423 1 67 296 THR . 51423 1 68 297 VAL . 51423 1 69 298 THR . 51423 1 70 299 GLU . 51423 1 71 300 SER . 51423 1 72 301 LEU . 51423 1 73 302 LEU . 51423 1 74 303 GLN . 51423 1 75 304 PRO . 51423 1 76 305 SER . 51423 1 77 306 PRO . 51423 1 78 307 LYS . 51423 1 79 308 VAL . 51423 1 80 309 SER . 51423 1 81 310 HIS . 51423 1 82 311 GLU . 51423 1 83 312 PRO . 51423 1 84 313 GLU . 51423 1 85 314 GLN . 51423 1 86 315 VAL . 51423 1 87 316 TYR . 51423 1 88 317 GLN . 51423 1 89 318 VAL . 51423 1 90 319 ALA . 51423 1 91 320 ARG . 51423 1 92 321 ASP . 51423 1 93 322 GLY . 51423 1 94 323 ILE . 51423 1 95 324 ALA . 51423 1 96 325 LYS . 51423 1 97 326 GLN . 51423 1 98 327 ASP . 51423 1 99 328 HIS . 51423 1 100 329 LEU . 51423 1 101 330 ALA . 51423 1 102 331 TYR . 51423 1 103 332 LEU . 51423 1 104 333 LYS . 51423 1 105 334 PRO . 51423 1 106 335 MET . 51423 1 107 336 SER . 51423 1 108 337 TYR . 51423 1 109 338 GLN . 51423 1 110 339 ASN . 51423 1 111 340 THR . 51423 1 112 341 TYR . 51423 1 113 342 ALA . 51423 1 114 343 VAL . 51423 1 115 344 ALA . 51423 1 116 345 VAL . 51423 1 117 346 PRO . 51423 1 118 347 LYS . 51423 1 119 348 LYS . 51423 1 120 349 ILE . 51423 1 121 350 ALA . 51423 1 122 351 GLN . 51423 1 123 352 GLU . 51423 1 124 353 TYR . 51423 1 125 354 GLY . 51423 1 126 355 LEU . 51423 1 127 356 LYS . 51423 1 128 357 THR . 51423 1 129 358 ILE . 51423 1 130 359 SER . 51423 1 131 360 ASP . 51423 1 132 361 LEU . 51423 1 133 362 LYS . 51423 1 134 363 LYS . 51423 1 135 364 VAL . 51423 1 136 365 GLU . 51423 1 137 366 GLY . 51423 1 138 367 GLN . 51423 1 139 368 LEU . 51423 1 140 369 LYS . 51423 1 141 370 ALA . 51423 1 142 371 GLY . 51423 1 143 372 PHE . 51423 1 144 373 THR . 51423 1 145 374 LEU . 51423 1 146 375 GLU . 51423 1 147 376 PHE . 51423 1 148 377 ASN . 51423 1 149 378 ASP . 51423 1 150 379 ARG . 51423 1 151 380 GLU . 51423 1 152 381 ASP . 51423 1 153 382 GLY . 51423 1 154 383 ASN . 51423 1 155 384 LYS . 51423 1 156 385 GLY . 51423 1 157 386 LEU . 51423 1 158 387 GLN . 51423 1 159 388 SER . 51423 1 160 389 MET . 51423 1 161 390 TYR . 51423 1 162 391 GLY . 51423 1 163 392 LEU . 51423 1 164 393 ASN . 51423 1 165 394 LEU . 51423 1 166 395 ASN . 51423 1 167 396 VAL . 51423 1 168 397 ALA . 51423 1 169 398 THR . 51423 1 170 399 MET . 51423 1 171 400 GLN . 51423 1 172 401 PRO . 51423 1 173 402 ALA . 51423 1 174 403 LEU . 51423 1 175 404 ARG . 51423 1 176 405 TYR . 51423 1 177 406 GLN . 51423 1 178 407 ALA . 51423 1 179 408 ILE . 51423 1 180 409 HIS . 51423 1 181 410 SER . 51423 1 182 411 GLY . 51423 1 183 412 ASP . 51423 1 184 413 ILE . 51423 1 185 414 GLN . 51423 1 186 415 ILE . 51423 1 187 416 THR . 51423 1 188 417 ASP . 51423 1 189 418 ALA . 51423 1 190 419 TYR . 51423 1 191 420 SER . 51423 1 192 421 THR . 51423 1 193 422 ASP . 51423 1 194 423 ALA . 51423 1 195 424 GLU . 51423 1 196 425 LEU . 51423 1 197 426 GLU . 51423 1 198 427 ARG . 51423 1 199 428 TYR . 51423 1 200 429 ASP . 51423 1 201 430 LEU . 51423 1 202 431 GLN . 51423 1 203 432 VAL . 51423 1 204 433 LEU . 51423 1 205 434 GLU . 51423 1 206 435 ASP . 51423 1 207 436 ASP . 51423 1 208 437 LYS . 51423 1 209 438 GLN . 51423 1 210 439 LEU . 51423 1 211 440 PHE . 51423 1 212 441 PRO . 51423 1 213 442 PRO . 51423 1 214 443 TYR . 51423 1 215 444 GLN . 51423 1 216 445 GLY . 51423 1 217 446 ALA . 51423 1 218 447 PRO . 51423 1 219 448 LEU . 51423 1 220 449 MET . 51423 1 221 450 LYS . 51423 1 222 451 GLU . 51423 1 223 452 ALA . 51423 1 224 453 LEU . 51423 1 225 454 LEU . 51423 1 226 455 LYS . 51423 1 227 456 LYS . 51423 1 228 457 HIS . 51423 1 229 458 PRO . 51423 1 230 459 GLU . 51423 1 231 460 LEU . 51423 1 232 461 GLU . 51423 1 233 462 ARG . 51423 1 234 463 VAL . 51423 1 235 464 LEU . 51423 1 236 465 ASN . 51423 1 237 466 THR . 51423 1 238 467 LEU . 51423 1 239 468 ALA . 51423 1 240 469 GLY . 51423 1 241 470 LYS . 51423 1 242 471 ILE . 51423 1 243 472 THR . 51423 1 244 473 GLU . 51423 1 245 474 SER . 51423 1 246 475 GLN . 51423 1 247 476 MET . 51423 1 248 477 SER . 51423 1 249 478 GLN . 51423 1 250 479 LEU . 51423 1 251 480 ASN . 51423 1 252 481 TYR . 51423 1 253 482 GLN . 51423 1 254 483 VAL . 51423 1 255 484 GLY . 51423 1 256 485 VAL . 51423 1 257 486 GLU . 51423 1 258 487 GLY . 51423 1 259 488 LYS . 51423 1 260 489 SER . 51423 1 261 490 ALA . 51423 1 262 491 LYS . 51423 1 263 492 GLN . 51423 1 264 493 VAL . 51423 1 265 494 ALA . 51423 1 266 495 LYS . 51423 1 267 496 GLU . 51423 1 268 497 PHE . 51423 1 269 498 LEU . 51423 1 270 499 GLN . 51423 1 271 500 GLU . 51423 1 272 501 GLN . 51423 1 273 502 GLY . 51423 1 274 503 LEU . 51423 1 275 504 LEU . 51423 1 276 505 LYS . 51423 1 277 506 LYS . 51423 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 . SER 1 1 51423 1 . HIS 2 2 51423 1 . MET 3 3 51423 1 . GLU 4 4 51423 1 . LYS 5 5 51423 1 . GLU 6 6 51423 1 . ASN 7 7 51423 1 . LEU 8 8 51423 1 . ILE 9 9 51423 1 . ILE 10 10 51423 1 . ALA 11 11 51423 1 . GLY 12 12 51423 1 . LYS 13 13 51423 1 . ILE 14 14 51423 1 . GLY 15 15 51423 1 . PRO 16 16 51423 1 . GLU 17 17 51423 1 . PRO 18 18 51423 1 . GLU 19 19 51423 1 . ILE 20 20 51423 1 . LEU 21 21 51423 1 . ALA 22 22 51423 1 . ASN 23 23 51423 1 . MET 24 24 51423 1 . TYR 25 25 51423 1 . LYS 26 26 51423 1 . LEU 27 27 51423 1 . LEU 28 28 51423 1 . ILE 29 29 51423 1 . GLU 30 30 51423 1 . GLU 31 31 51423 1 . ASN 32 32 51423 1 . THR 33 33 51423 1 . SER 34 34 51423 1 . MET 35 35 51423 1 . THR 36 36 51423 1 . ALA 37 37 51423 1 . THR 38 38 51423 1 . VAL 39 39 51423 1 . LYS 40 40 51423 1 . PRO 41 41 51423 1 . ASN 42 42 51423 1 . PHE 43 43 51423 1 . GLY 44 44 51423 1 . THR 45 45 51423 1 . THR 46 46 51423 1 . SER 47 47 51423 1 . PHE 48 48 51423 1 . LEU 49 49 51423 1 . TYR 50 50 51423 1 . GLU 51 51 51423 1 . ALA 52 52 51423 1 . LEU 53 53 51423 1 . LYS 54 54 51423 1 . LYS 55 55 51423 1 . GLY 56 56 51423 1 . ASP 57 57 51423 1 . ILE 58 58 51423 1 . ASP 59 59 51423 1 . ILE 60 60 51423 1 . TYR 61 61 51423 1 . PRO 62 62 51423 1 . GLU 63 63 51423 1 . PHE 64 64 51423 1 . THR 65 65 51423 1 . GLY 66 66 51423 1 . THR 67 67 51423 1 . VAL 68 68 51423 1 . THR 69 69 51423 1 . GLU 70 70 51423 1 . SER 71 71 51423 1 . LEU 72 72 51423 1 . LEU 73 73 51423 1 . GLN 74 74 51423 1 . PRO 75 75 51423 1 . SER 76 76 51423 1 . PRO 77 77 51423 1 . LYS 78 78 51423 1 . VAL 79 79 51423 1 . SER 80 80 51423 1 . HIS 81 81 51423 1 . GLU 82 82 51423 1 . PRO 83 83 51423 1 . GLU 84 84 51423 1 . GLN 85 85 51423 1 . VAL 86 86 51423 1 . TYR 87 87 51423 1 . GLN 88 88 51423 1 . VAL 89 89 51423 1 . ALA 90 90 51423 1 . ARG 91 91 51423 1 . ASP 92 92 51423 1 . GLY 93 93 51423 1 . ILE 94 94 51423 1 . ALA 95 95 51423 1 . LYS 96 96 51423 1 . GLN 97 97 51423 1 . ASP 98 98 51423 1 . HIS 99 99 51423 1 . LEU 100 100 51423 1 . ALA 101 101 51423 1 . TYR 102 102 51423 1 . LEU 103 103 51423 1 . LYS 104 104 51423 1 . PRO 105 105 51423 1 . MET 106 106 51423 1 . SER 107 107 51423 1 . TYR 108 108 51423 1 . GLN 109 109 51423 1 . ASN 110 110 51423 1 . THR 111 111 51423 1 . TYR 112 112 51423 1 . ALA 113 113 51423 1 . VAL 114 114 51423 1 . ALA 115 115 51423 1 . VAL 116 116 51423 1 . PRO 117 117 51423 1 . LYS 118 118 51423 1 . LYS 119 119 51423 1 . ILE 120 120 51423 1 . ALA 121 121 51423 1 . GLN 122 122 51423 1 . GLU 123 123 51423 1 . TYR 124 124 51423 1 . GLY 125 125 51423 1 . LEU 126 126 51423 1 . LYS 127 127 51423 1 . THR 128 128 51423 1 . ILE 129 129 51423 1 . SER 130 130 51423 1 . ASP 131 131 51423 1 . LEU 132 132 51423 1 . LYS 133 133 51423 1 . LYS 134 134 51423 1 . VAL 135 135 51423 1 . GLU 136 136 51423 1 . GLY 137 137 51423 1 . GLN 138 138 51423 1 . LEU 139 139 51423 1 . LYS 140 140 51423 1 . ALA 141 141 51423 1 . GLY 142 142 51423 1 . PHE 143 143 51423 1 . THR 144 144 51423 1 . LEU 145 145 51423 1 . GLU 146 146 51423 1 . PHE 147 147 51423 1 . ASN 148 148 51423 1 . ASP 149 149 51423 1 . ARG 150 150 51423 1 . GLU 151 151 51423 1 . ASP 152 152 51423 1 . GLY 153 153 51423 1 . ASN 154 154 51423 1 . LYS 155 155 51423 1 . GLY 156 156 51423 1 . LEU 157 157 51423 1 . GLN 158 158 51423 1 . SER 159 159 51423 1 . MET 160 160 51423 1 . TYR 161 161 51423 1 . GLY 162 162 51423 1 . LEU 163 163 51423 1 . ASN 164 164 51423 1 . LEU 165 165 51423 1 . ASN 166 166 51423 1 . VAL 167 167 51423 1 . ALA 168 168 51423 1 . THR 169 169 51423 1 . MET 170 170 51423 1 . GLN 171 171 51423 1 . PRO 172 172 51423 1 . ALA 173 173 51423 1 . LEU 174 174 51423 1 . ARG 175 175 51423 1 . TYR 176 176 51423 1 . GLN 177 177 51423 1 . ALA 178 178 51423 1 . ILE 179 179 51423 1 . HIS 180 180 51423 1 . SER 181 181 51423 1 . GLY 182 182 51423 1 . ASP 183 183 51423 1 . ILE 184 184 51423 1 . GLN 185 185 51423 1 . ILE 186 186 51423 1 . THR 187 187 51423 1 . ASP 188 188 51423 1 . ALA 189 189 51423 1 . TYR 190 190 51423 1 . SER 191 191 51423 1 . THR 192 192 51423 1 . ASP 193 193 51423 1 . ALA 194 194 51423 1 . GLU 195 195 51423 1 . LEU 196 196 51423 1 . GLU 197 197 51423 1 . ARG 198 198 51423 1 . TYR 199 199 51423 1 . ASP 200 200 51423 1 . LEU 201 201 51423 1 . GLN 202 202 51423 1 . VAL 203 203 51423 1 . LEU 204 204 51423 1 . GLU 205 205 51423 1 . ASP 206 206 51423 1 . ASP 207 207 51423 1 . LYS 208 208 51423 1 . GLN 209 209 51423 1 . LEU 210 210 51423 1 . PHE 211 211 51423 1 . PRO 212 212 51423 1 . PRO 213 213 51423 1 . TYR 214 214 51423 1 . GLN 215 215 51423 1 . GLY 216 216 51423 1 . ALA 217 217 51423 1 . PRO 218 218 51423 1 . LEU 219 219 51423 1 . MET 220 220 51423 1 . LYS 221 221 51423 1 . GLU 222 222 51423 1 . ALA 223 223 51423 1 . LEU 224 224 51423 1 . LEU 225 225 51423 1 . LYS 226 226 51423 1 . LYS 227 227 51423 1 . HIS 228 228 51423 1 . PRO 229 229 51423 1 . GLU 230 230 51423 1 . LEU 231 231 51423 1 . GLU 232 232 51423 1 . ARG 233 233 51423 1 . VAL 234 234 51423 1 . LEU 235 235 51423 1 . ASN 236 236 51423 1 . THR 237 237 51423 1 . LEU 238 238 51423 1 . ALA 239 239 51423 1 . GLY 240 240 51423 1 . LYS 241 241 51423 1 . ILE 242 242 51423 1 . THR 243 243 51423 1 . GLU 244 244 51423 1 . SER 245 245 51423 1 . GLN 246 246 51423 1 . MET 247 247 51423 1 . SER 248 248 51423 1 . GLN 249 249 51423 1 . LEU 250 250 51423 1 . ASN 251 251 51423 1 . TYR 252 252 51423 1 . GLN 253 253 51423 1 . VAL 254 254 51423 1 . GLY 255 255 51423 1 . VAL 256 256 51423 1 . GLU 257 257 51423 1 . GLY 258 258 51423 1 . LYS 259 259 51423 1 . SER 260 260 51423 1 . ALA 261 261 51423 1 . LYS 262 262 51423 1 . GLN 263 263 51423 1 . VAL 264 264 51423 1 . ALA 265 265 51423 1 . LYS 266 266 51423 1 . GLU 267 267 51423 1 . PHE 268 268 51423 1 . LEU 269 269 51423 1 . GLN 270 270 51423 1 . GLU 271 271 51423 1 . GLN 272 272 51423 1 . GLY 273 273 51423 1 . LEU 274 274 51423 1 . LEU 275 275 51423 1 . LYS 276 276 51423 1 . LYS 277 277 51423 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51423 _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 . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae D39 . . . . . . . . . . spd_1642 . 51423 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 51423 _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 . . pSUMO . . . 51423 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51423 _Sample.ID 1 _Sample.Name 3x-labeled _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EgtU '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 0.75 . . mM . . . . 51423 1 2 D2O [U-2H] . . . . . . 10 . . % . . . . 51423 1 3 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 51423 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51423 1 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 51423 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 51423 _Sample.ID 2 _Sample.Name 15N _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 EgtU [U-15N] . . 1 $entity_1 . . 0.75 . . mM . . . . 51423 2 2 D2O [U-2H] . . . . . . 10 . . % . . . . 51423 2 3 DSS 'natural abundance' . . . . . . 0.3 . . mM . . . . 51423 2 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51423 2 5 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 51423 2 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 51423 _Sample_condition_list.ID 1 _Sample_condition_list.Name standard _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 . pH 51423 1 pressure 1 . atm 51423 1 temperature 273 . K 51423 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51423 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51423 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51423 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51423 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51423 _Software.ID 3 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51423 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51423 _Software.ID 4 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 51423 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51423 _Software.ID 5 _Software.Type . _Software.Name istHMS _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51423 5 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 51423 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name b600 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 51423 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N TROSY' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51423 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51423 1 3 '3D HN(CO)CA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51423 1 4 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51423 1 5 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51423 1 6 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51423 1 7 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51423 1 8 '2D 1H-15N TROSY' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51423 1 9 'T1/R1 relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51423 1 10 'T2/R2 relaxation' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51423 1 11 '1H-15N heteronoe' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51423 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 51423 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 51423 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 51423 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 51423 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 51423 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'apo EgtU backbone assignments' _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 '2D 1H-15N TROSY' . . . 51423 1 2 '3D HNCO' . . . 51423 1 3 '3D HN(CO)CA' . . . 51423 1 4 '3D HN(CO)CACB' . . . 51423 1 5 '3D HNCA' . . . 51423 1 6 '3D HNCACB' . . . 51423 1 7 '3D HN(CA)CO' . . . 51423 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 51423 1 2 $software_2 . . 51423 1 3 $software_3 . . 51423 1 4 $software_4 . . 51423 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 MET C C 13 175.802 0.3 . 1 . . . . . 232 MET C . 51423 1 2 . 1 . 1 3 3 MET CA C 13 54.957 0.3 . 1 . . . . . 232 MET CA . 51423 1 3 . 1 . 1 4 4 GLU H H 1 8.264 0.02 . 1 . . . . . 233 GLU H . 51423 1 4 . 1 . 1 4 4 GLU C C 13 176.19 0.3 . 1 . . . . . 233 GLU C . 51423 1 5 . 1 . 1 4 4 GLU CA C 13 56.024 0.3 . 1 . . . . . 233 GLU CA . 51423 1 6 . 1 . 1 4 4 GLU CB C 13 29.388 0.3 . 1 . . . . . 233 GLU CB . 51423 1 7 . 1 . 1 4 4 GLU N N 15 122.893 0.3 . 1 . . . . . 233 GLU N . 51423 1 8 . 1 . 1 5 5 LYS H H 1 8.175 0.02 . 1 . . . . . 234 LYS H . 51423 1 9 . 1 . 1 5 5 LYS C C 13 176.477 0.3 . 1 . . . . . 234 LYS C . 51423 1 10 . 1 . 1 5 5 LYS CA C 13 55.559 0.3 . 1 . . . . . 234 LYS CA . 51423 1 11 . 1 . 1 5 5 LYS CB C 13 32.526 0.3 . 1 . . . . . 234 LYS CB . 51423 1 12 . 1 . 1 5 5 LYS N N 15 123.041 0.3 . 1 . . . . . 234 LYS N . 51423 1 13 . 1 . 1 6 6 GLU H H 1 8.504 0.02 . 1 . . . . . 235 GLU H . 51423 1 14 . 1 . 1 6 6 GLU C C 13 173.789 0.3 . 1 . . . . . 235 GLU C . 51423 1 15 . 1 . 1 6 6 GLU CA C 13 56.381 0.3 . 1 . . . . . 235 GLU CA . 51423 1 16 . 1 . 1 6 6 GLU CB C 13 30.329 0.3 . 1 . . . . . 235 GLU CB . 51423 1 17 . 1 . 1 6 6 GLU N N 15 124.795 0.3 . 1 . . . . . 235 GLU N . 51423 1 18 . 1 . 1 7 7 ASN H H 1 8.149 0.02 . 1 . . . . . 236 ASN H . 51423 1 19 . 1 . 1 7 7 ASN C C 13 174.156 0.3 . 1 . . . . . 236 ASN C . 51423 1 20 . 1 . 1 7 7 ASN CA C 13 51.559 0.3 . 1 . . . . . 236 ASN CA . 51423 1 21 . 1 . 1 7 7 ASN CB C 13 41.31 0.3 . 1 . . . . . 236 ASN CB . 51423 1 22 . 1 . 1 7 7 ASN N N 15 122.117 0.3 . 1 . . . . . 236 ASN N . 51423 1 23 . 1 . 1 8 8 LEU H H 1 8.73 0.02 . 1 . . . . . 237 LEU H . 51423 1 24 . 1 . 1 8 8 LEU C C 13 175.436 0.3 . 1 . . . . . 237 LEU C . 51423 1 25 . 1 . 1 8 8 LEU CA C 13 52.774 0.3 . 1 . . . . . 237 LEU CA . 51423 1 26 . 1 . 1 8 8 LEU CB C 13 43.506 0.3 . 1 . . . . . 237 LEU CB . 51423 1 27 . 1 . 1 8 8 LEU N N 15 125.714 0.3 . 1 . . . . . 237 LEU N . 51423 1 28 . 1 . 1 9 9 ILE H H 1 10.27 0.02 . 1 . . . . . 238 ILE H . 51423 1 29 . 1 . 1 9 9 ILE C C 13 175.999 0.3 . 1 . . . . . 238 ILE C . 51423 1 30 . 1 . 1 9 9 ILE CA C 13 59.702 0.3 . 1 . . . . . 238 ILE CA . 51423 1 31 . 1 . 1 9 9 ILE CB C 13 36.918 0.3 . 1 . . . . . 238 ILE CB . 51423 1 32 . 1 . 1 9 9 ILE N N 15 123.338 0.3 . 1 . . . . . 238 ILE N . 51423 1 33 . 1 . 1 10 10 ILE H H 1 9.048 0.02 . 1 . . . . . 239 ILE H . 51423 1 34 . 1 . 1 10 10 ILE C C 13 174.243 0.3 . 1 . . . . . 239 ILE C . 51423 1 35 . 1 . 1 10 10 ILE CA C 13 58.667 0.3 . 1 . . . . . 239 ILE CA . 51423 1 36 . 1 . 1 10 10 ILE CB C 13 37.781 0.3 . 1 . . . . . 239 ILE CB . 51423 1 37 . 1 . 1 10 10 ILE N N 15 131.058 0.3 . 1 . . . . . 239 ILE N . 51423 1 38 . 1 . 1 11 11 ALA H H 1 8.234 0.02 . 1 . . . . . 240 ALA H . 51423 1 39 . 1 . 1 11 11 ALA C C 13 174.134 0.3 . 1 . . . . . 240 ALA C . 51423 1 40 . 1 . 1 11 11 ALA CA C 13 48.845 0.3 . 1 . . . . . 240 ALA CA . 51423 1 41 . 1 . 1 11 11 ALA CB C 13 23.27 0.3 . 1 . . . . . 240 ALA CB . 51423 1 42 . 1 . 1 11 11 ALA N N 15 128.98 0.3 . 1 . . . . . 240 ALA N . 51423 1 43 . 1 . 1 12 12 GLY H H 1 7.146 0.02 . 1 . . . . . 241 GLY H . 51423 1 44 . 1 . 1 12 12 GLY C C 13 172.819 0.3 . 1 . . . . . 241 GLY C . 51423 1 45 . 1 . 1 12 12 GLY CA C 13 43.417 0.3 . 1 . . . . . 241 GLY CA . 51423 1 46 . 1 . 1 12 12 GLY N N 15 99.14 0.3 . 1 . . . . . 241 GLY N . 51423 1 47 . 1 . 1 13 13 LYS H H 1 7.139 0.02 . 1 . . . . . 242 LYS H . 51423 1 48 . 1 . 1 13 13 LYS C C 13 174.305 0.3 . 1 . . . . . 242 LYS C . 51423 1 49 . 1 . 1 13 13 LYS CA C 13 55.952 0.3 . 1 . . . . . 242 LYS CA . 51423 1 50 . 1 . 1 13 13 LYS CB C 13 32.447 0.3 . 1 . . . . . 242 LYS CB . 51423 1 51 . 1 . 1 13 13 LYS N N 15 119.775 0.3 . 1 . . . . . 242 LYS N . 51423 1 52 . 1 . 1 14 14 ILE H H 1 7.183 0.02 . 1 . . . . . 243 ILE H . 51423 1 53 . 1 . 1 14 14 ILE C C 13 176.656 0.3 . 1 . . . . . 243 ILE C . 51423 1 54 . 1 . 1 14 14 ILE CA C 13 62.452 0.3 . 1 . . . . . 243 ILE CA . 51423 1 55 . 1 . 1 14 14 ILE CB C 13 36.682 0.3 . 1 . . . . . 243 ILE CB . 51423 1 56 . 1 . 1 14 14 ILE N N 15 117.548 0.3 . 1 . . . . . 243 ILE N . 51423 1 57 . 1 . 1 15 15 GLY H H 1 8.353 0.02 . 1 . . . . . 244 GLY H . 51423 1 58 . 1 . 1 15 15 GLY C C 13 172.947 0.3 . 1 . . . . . 244 GLY C . 51423 1 59 . 1 . 1 15 15 GLY CA C 13 43.488 0.3 . 1 . . . . . 244 GLY CA . 51423 1 60 . 1 . 1 15 15 GLY N N 15 115.322 0.3 . 1 . . . . . 244 GLY N . 51423 1 61 . 1 . 1 16 16 PRO C C 13 177.309 0.3 . 1 . . . . . 245 PRO C . 51423 1 62 . 1 . 1 16 16 PRO CA C 13 64.683 0.3 . 1 . . . . . 245 PRO CA . 51423 1 63 . 1 . 1 16 16 PRO CB C 13 30.329 0.3 . 1 . . . . . 245 PRO CB . 51423 1 64 . 1 . 1 17 17 GLU H H 1 7.82 0.02 . 1 . . . . . 246 GLU H . 51423 1 65 . 1 . 1 17 17 GLU C C 13 175.939 0.3 . 1 . . . . . 246 GLU C . 51423 1 66 . 1 . 1 17 17 GLU CA C 13 60.881 0.3 . 1 . . . . . 246 GLU CA . 51423 1 67 . 1 . 1 17 17 GLU CB C 13 28.133 0.3 . 1 . . . . . 246 GLU CB . 51423 1 68 . 1 . 1 17 17 GLU N N 15 119.775 0.3 . 1 . . . . . 246 GLU N . 51423 1 69 . 1 . 1 18 18 PRO C C 13 177.692 0.3 . 1 . . . . . 247 PRO C . 51423 1 70 . 1 . 1 18 18 PRO CA C 13 64.604 0.3 . 1 . . . . . 247 PRO CA . 51423 1 71 . 1 . 1 18 18 PRO CB C 13 30.486 0.3 . 1 . . . . . 247 PRO CB . 51423 1 72 . 1 . 1 19 19 GLU H H 1 6.799 0.02 . 1 . . . . . 248 GLU H . 51423 1 73 . 1 . 1 19 19 GLU C C 13 180.121 0.3 . 1 . . . . . 248 GLU C . 51423 1 74 . 1 . 1 19 19 GLU CA C 13 59.488 0.3 . 1 . . . . . 248 GLU CA . 51423 1 75 . 1 . 1 19 19 GLU CB C 13 27.976 0.3 . 1 . . . . . 248 GLU CB . 51423 1 76 . 1 . 1 19 19 GLU N N 15 117.845 0.3 . 1 . . . . . 248 GLU N . 51423 1 77 . 1 . 1 20 20 ILE H H 1 8.641 0.02 . 1 . . . . . 249 ILE H . 51423 1 78 . 1 . 1 20 20 ILE C C 13 178.055 0.3 . 1 . . . . . 249 ILE C . 51423 1 79 . 1 . 1 20 20 ILE CA C 13 66.209 0.3 . 1 . . . . . 249 ILE CA . 51423 1 80 . 1 . 1 20 20 ILE CB C 13 37.231 0.3 . 1 . . . . . 249 ILE CB . 51423 1 81 . 1 . 1 20 20 ILE N N 15 125.12 0.3 . 1 . . . . . 249 ILE N . 51423 1 82 . 1 . 1 21 21 LEU H H 1 8.205 0.02 . 1 . . . . . 250 LEU H . 51423 1 83 . 1 . 1 21 21 LEU C C 13 177.643 0.3 . 1 . . . . . 250 LEU C . 51423 1 84 . 1 . 1 21 21 LEU CA C 13 57.274 0.3 . 1 . . . . . 250 LEU CA . 51423 1 85 . 1 . 1 21 21 LEU CB C 13 41.545 0.3 . 1 . . . . . 250 LEU CB . 51423 1 86 . 1 . 1 21 21 LEU N N 15 119.627 0.3 . 1 . . . . . 250 LEU N . 51423 1 87 . 1 . 1 22 22 ALA H H 1 8.415 0.02 . 1 . . . . . 251 ALA H . 51423 1 88 . 1 . 1 22 22 ALA C C 13 179.768 0.3 . 1 . . . . . 251 ALA C . 51423 1 89 . 1 . 1 22 22 ALA CA C 13 54.488 0.3 . 1 . . . . . 251 ALA CA . 51423 1 90 . 1 . 1 22 22 ALA CB C 13 17.702 0.3 . 1 . . . . . 251 ALA CB . 51423 1 91 . 1 . 1 22 22 ALA N N 15 118.168 0.3 . 1 . . . . . 251 ALA N . 51423 1 92 . 1 . 1 23 23 ASN H H 1 7.527 0.02 . 1 . . . . . 252 ASN H . 51423 1 93 . 1 . 1 23 23 ASN C C 13 177.547 0.3 . 1 . . . . . 252 ASN C . 51423 1 94 . 1 . 1 23 23 ASN CA C 13 57.167 0.3 . 1 . . . . . 252 ASN CA . 51423 1 95 . 1 . 1 23 23 ASN CB C 13 39.741 0.3 . 1 . . . . . 252 ASN CB . 51423 1 96 . 1 . 1 23 23 ASN N N 15 114.519 0.3 . 1 . . . . . 252 ASN N . 51423 1 97 . 1 . 1 24 24 MET H H 1 8.439 0.02 . 1 . . . . . 253 MET H . 51423 1 98 . 1 . 1 24 24 MET C C 13 177.52 0.3 . 1 . . . . . 253 MET C . 51423 1 99 . 1 . 1 24 24 MET CA C 13 60.738 0.3 . 1 . . . . . 253 MET CA . 51423 1 100 . 1 . 1 24 24 MET CB C 13 30.722 0.3 . 1 . . . . . 253 MET CB . 51423 1 101 . 1 . 1 24 24 MET N N 15 121.405 0.3 . 1 . . . . . 253 MET N . 51423 1 102 . 1 . 1 25 25 TYR H H 1 8.094 0.02 . 1 . . . . . 254 TYR H . 51423 1 103 . 1 . 1 25 25 TYR C C 13 177.472 0.3 . 1 . . . . . 254 TYR C . 51423 1 104 . 1 . 1 25 25 TYR CA C 13 57.167 0.3 . 1 . . . . . 254 TYR CA . 51423 1 105 . 1 . 1 25 25 TYR CB C 13 34.8 0.3 . 1 . . . . . 254 TYR CB . 51423 1 106 . 1 . 1 25 25 TYR N N 15 116.955 0.3 . 1 . . . . . 254 TYR N . 51423 1 107 . 1 . 1 26 26 LYS H H 1 7.879 0.02 . 1 . . . . . 255 LYS H . 51423 1 108 . 1 . 1 26 26 LYS C C 13 176.741 0.3 . 1 . . . . . 255 LYS C . 51423 1 109 . 1 . 1 26 26 LYS CA C 13 59.381 0.3 . 1 . . . . . 255 LYS CA . 51423 1 110 . 1 . 1 26 26 LYS CB C 13 32.133 0.3 . 1 . . . . . 255 LYS CB . 51423 1 111 . 1 . 1 26 26 LYS N N 15 119.775 0.3 . 1 . . . . . 255 LYS N . 51423 1 112 . 1 . 1 27 27 LEU H H 1 8.25 0.02 . 1 . . . . . 256 LEU H . 51423 1 113 . 1 . 1 27 27 LEU C C 13 180.318 0.3 . 1 . . . . . 256 LEU C . 51423 1 114 . 1 . 1 27 27 LEU CA C 13 57.345 0.3 . 1 . . . . . 256 LEU CA . 51423 1 115 . 1 . 1 27 27 LEU CB C 13 40.683 0.3 . 1 . . . . . 256 LEU CB . 51423 1 116 . 1 . 1 27 27 LEU N N 15 118.294 0.3 . 1 . . . . . 256 LEU N . 51423 1 117 . 1 . 1 28 28 LEU H H 1 8.067 0.02 . 1 . . . . . 257 LEU H . 51423 1 118 . 1 . 1 28 28 LEU C C 13 180.318 0.3 . 1 . . . . . 257 LEU C . 51423 1 119 . 1 . 1 28 28 LEU CA C 13 57.559 0.3 . 1 . . . . . 257 LEU CA . 51423 1 120 . 1 . 1 28 28 LEU CB C 13 41.232 0.3 . 1 . . . . . 257 LEU CB . 51423 1 121 . 1 . 1 28 28 LEU N N 15 118.567 0.3 . 1 . . . . . 257 LEU N . 51423 1 122 . 1 . 1 29 29 ILE H H 1 8.434 0.02 . 1 . . . . . 258 ILE H . 51423 1 123 . 1 . 1 29 29 ILE C C 13 178.867 0.3 . 1 . . . . . 258 ILE C . 51423 1 124 . 1 . 1 29 29 ILE CA C 13 65.845 0.3 . 1 . . . . . 258 ILE CA . 51423 1 125 . 1 . 1 29 29 ILE CB C 13 37.388 0.3 . 1 . . . . . 258 ILE CB . 51423 1 126 . 1 . 1 29 29 ILE N N 15 120.963 0.3 . 1 . . . . . 258 ILE N . 51423 1 127 . 1 . 1 30 30 GLU H H 1 8.678 0.02 . 1 . . . . . 259 GLU H . 51423 1 128 . 1 . 1 30 30 GLU C C 13 178.011 0.3 . 1 . . . . . 259 GLU C . 51423 1 129 . 1 . 1 30 30 GLU CA C 13 58.631 0.3 . 1 . . . . . 259 GLU CA . 51423 1 130 . 1 . 1 30 30 GLU CB C 13 27.898 0.3 . 1 . . . . . 259 GLU CB . 51423 1 131 . 1 . 1 30 30 GLU N N 15 120.518 0.3 . 1 . . . . . 259 GLU N . 51423 1 132 . 1 . 1 31 31 GLU H H 1 7.549 0.02 . 1 . . . . . 260 GLU H . 51423 1 133 . 1 . 1 31 31 GLU C C 13 177.513 0.3 . 1 . . . . . 260 GLU C . 51423 1 134 . 1 . 1 31 31 GLU CA C 13 57.988 0.3 . 1 . . . . . 260 GLU CA . 51423 1 135 . 1 . 1 31 31 GLU CB C 13 29.624 0.3 . 1 . . . . . 260 GLU CB . 51423 1 136 . 1 . 1 31 31 GLU N N 15 116.066 0.3 . 1 . . . . . 260 GLU N . 51423 1 137 . 1 . 1 32 32 ASN H H 1 7.154 0.02 . 1 . . . . . 261 ASN H . 51423 1 138 . 1 . 1 32 32 ASN C C 13 173.782 0.3 . 1 . . . . . 261 ASN C . 51423 1 139 . 1 . 1 32 32 ASN CA C 13 54.238 0.3 . 1 . . . . . 261 ASN CA . 51423 1 140 . 1 . 1 32 32 ASN CB C 13 42.8 0.3 . 1 . . . . . 261 ASN CB . 51423 1 141 . 1 . 1 32 32 ASN N N 15 111.759 0.3 . 1 . . . . . 261 ASN N . 51423 1 142 . 1 . 1 33 33 THR H H 1 7.783 0.02 . 1 . . . . . 262 THR H . 51423 1 143 . 1 . 1 33 33 THR C C 13 172.934 0.3 . 1 . . . . . 262 THR C . 51423 1 144 . 1 . 1 33 33 THR CA C 13 60.024 0.3 . 1 . . . . . 262 THR CA . 51423 1 145 . 1 . 1 33 33 THR CB C 13 71.507 0.3 . 1 . . . . . 262 THR CB . 51423 1 146 . 1 . 1 33 33 THR N N 15 112.204 0.3 . 1 . . . . . 262 THR N . 51423 1 147 . 1 . 1 34 34 SER H H 1 8.33 0.02 . 1 . . . . . 263 SER H . 51423 1 148 . 1 . 1 34 34 SER C C 13 174.57 0.3 . 1 . . . . . 263 SER C . 51423 1 149 . 1 . 1 34 34 SER CA C 13 57.389 0.3 . 1 . . . . . 263 SER CA . 51423 1 150 . 1 . 1 34 34 SER CB C 13 62.879 0.3 . 1 . . . . . 263 SER CB . 51423 1 151 . 1 . 1 34 34 SER N N 15 112.497 0.3 . 1 . . . . . 263 SER N . 51423 1 152 . 1 . 1 35 35 MET H H 1 8.198 0.02 . 1 . . . . . 264 MET H . 51423 1 153 . 1 . 1 35 35 MET C C 13 175.847 0.3 . 1 . . . . . 264 MET C . 51423 1 154 . 1 . 1 35 35 MET CA C 13 55.452 0.3 . 1 . . . . . 264 MET CA . 51423 1 155 . 1 . 1 35 35 MET CB C 13 34.173 0.3 . 1 . . . . . 264 MET CB . 51423 1 156 . 1 . 1 35 35 MET N N 15 122.151 0.3 . 1 . . . . . 264 MET N . 51423 1 157 . 1 . 1 36 36 THR H H 1 8.294 0.02 . 1 . . . . . 265 THR H . 51423 1 158 . 1 . 1 36 36 THR C C 13 173.521 0.3 . 1 . . . . . 265 THR C . 51423 1 159 . 1 . 1 36 36 THR CA C 13 59.452 0.3 . 1 . . . . . 265 THR CA . 51423 1 160 . 1 . 1 36 36 THR CB C 13 71.193 0.3 . 1 . . . . . 265 THR CB . 51423 1 161 . 1 . 1 36 36 THR N N 15 110.274 0.3 . 1 . . . . . 265 THR N . 51423 1 162 . 1 . 1 37 37 ALA H H 1 9.189 0.02 . 1 . . . . . 266 ALA H . 51423 1 163 . 1 . 1 37 37 ALA C C 13 175.838 0.3 . 1 . . . . . 266 ALA C . 51423 1 164 . 1 . 1 37 37 ALA CA C 13 50.202 0.3 . 1 . . . . . 266 ALA CA . 51423 1 165 . 1 . 1 37 37 ALA CB C 13 21.78 0.3 . 1 . . . . . 266 ALA CB . 51423 1 166 . 1 . 1 37 37 ALA N N 15 121.705 0.3 . 1 . . . . . 266 ALA N . 51423 1 167 . 1 . 1 38 38 THR H H 1 9.011 0.02 . 1 . . . . . 267 THR H . 51423 1 168 . 1 . 1 38 38 THR C C 13 173.25 0.3 . 1 . . . . . 267 THR C . 51423 1 169 . 1 . 1 38 38 THR CA C 13 60.702 0.3 . 1 . . . . . 267 THR CA . 51423 1 170 . 1 . 1 38 38 THR CB C 13 70.879 0.3 . 1 . . . . . 267 THR CB . 51423 1 171 . 1 . 1 38 38 THR N N 15 119.181 0.3 . 1 . . . . . 267 THR N . 51423 1 172 . 1 . 1 39 39 VAL H H 1 8.789 0.02 . 1 . . . . . 268 VAL H . 51423 1 173 . 1 . 1 39 39 VAL C C 13 176.216 0.3 . 1 . . . . . 268 VAL C . 51423 1 174 . 1 . 1 39 39 VAL CA C 13 60.631 0.3 . 1 . . . . . 268 VAL CA . 51423 1 175 . 1 . 1 39 39 VAL CB C 13 31.663 0.3 . 1 . . . . . 268 VAL CB . 51423 1 176 . 1 . 1 39 39 VAL N N 15 127.198 0.3 . 1 . . . . . 268 VAL N . 51423 1 177 . 1 . 1 40 40 LYS H H 1 8.893 0.02 . 1 . . . . . 269 LYS H . 51423 1 178 . 1 . 1 40 40 LYS C C 13 172.753 0.3 . 1 . . . . . 269 LYS C . 51423 1 179 . 1 . 1 40 40 LYS CA C 13 52.095 0.3 . 1 . . . . . 269 LYS CA . 51423 1 180 . 1 . 1 40 40 LYS CB C 13 31.584 0.3 . 1 . . . . . 269 LYS CB . 51423 1 181 . 1 . 1 40 40 LYS N N 15 129.722 0.3 . 1 . . . . . 269 LYS N . 51423 1 182 . 1 . 1 41 41 PRO C C 13 175.958 0.3 . 1 . . . . . 270 PRO C . 51423 1 183 . 1 . 1 41 41 PRO CA C 13 60.84 0.3 . 1 . . . . . 270 PRO CA . 51423 1 184 . 1 . 1 41 41 PRO CB C 13 32.133 0.3 . 1 . . . . . 270 PRO CB . 51423 1 185 . 1 . 1 42 42 ASN H H 1 9.641 0.02 . 1 . . . . . 271 ASN H . 51423 1 186 . 1 . 1 42 42 ASN C C 13 175.119 0.3 . 1 . . . . . 271 ASN C . 51423 1 187 . 1 . 1 42 42 ASN CA C 13 53.881 0.3 . 1 . . . . . 271 ASN CA . 51423 1 188 . 1 . 1 42 42 ASN CB C 13 36.839 0.3 . 1 . . . . . 271 ASN CB . 51423 1 189 . 1 . 1 42 42 ASN N N 15 117.697 0.3 . 1 . . . . . 271 ASN N . 51423 1 190 . 1 . 1 43 43 PHE H H 1 8.41 0.02 . 1 . . . . . 272 PHE H . 51423 1 191 . 1 . 1 43 43 PHE C C 13 175.289 0.3 . 1 . . . . . 272 PHE C . 51423 1 192 . 1 . 1 43 43 PHE CA C 13 60.202 0.3 . 1 . . . . . 272 PHE CA . 51423 1 193 . 1 . 1 43 43 PHE CB C 13 39.898 0.3 . 1 . . . . . 272 PHE CB . 51423 1 194 . 1 . 1 43 43 PHE N N 15 118.571 0.3 . 1 . . . . . 272 PHE N . 51423 1 195 . 1 . 1 44 44 GLY H H 1 6.784 0.02 . 1 . . . . . 273 GLY H . 51423 1 196 . 1 . 1 44 44 GLY C C 13 171.12 0.3 . 1 . . . . . 273 GLY C . 51423 1 197 . 1 . 1 44 44 GLY CA C 13 44.417 0.3 . 1 . . . . . 273 GLY CA . 51423 1 198 . 1 . 1 44 44 GLY N N 15 99.585 0.3 . 1 . . . . . 273 GLY N . 51423 1 199 . 1 . 1 45 45 THR H H 1 7.476 0.02 . 1 . . . . . 274 THR H . 51423 1 200 . 1 . 1 45 45 THR C C 13 175.316 0.3 . 1 . . . . . 274 THR C . 51423 1 201 . 1 . 1 45 45 THR CA C 13 60.024 0.3 . 1 . . . . . 274 THR CA . 51423 1 202 . 1 . 1 45 45 THR CB C 13 70.801 0.3 . 1 . . . . . 274 THR CB . 51423 1 203 . 1 . 1 45 45 THR N N 15 109.501 0.3 . 1 . . . . . 274 THR N . 51423 1 204 . 1 . 1 46 46 THR H H 1 8.664 0.02 . 1 . . . . . 275 THR H . 51423 1 205 . 1 . 1 46 46 THR C C 13 175.095 0.3 . 1 . . . . . 275 THR C . 51423 1 206 . 1 . 1 46 46 THR CA C 13 67.667 0.3 . 1 . . . . . 275 THR CA . 51423 1 207 . 1 . 1 46 46 THR CB C 13 69.467 0.3 . 1 . . . . . 275 THR CB . 51423 1 208 . 1 . 1 46 46 THR N N 15 116.212 0.3 . 1 . . . . . 275 THR N . 51423 1 209 . 1 . 1 47 47 SER H H 1 8.456 0.02 . 1 . . . . . 276 SER H . 51423 1 210 . 1 . 1 47 47 SER C C 13 175.302 0.3 . 1 . . . . . 276 SER C . 51423 1 211 . 1 . 1 47 47 SER CA C 13 61.738 0.3 . 1 . . . . . 276 SER CA . 51423 1 212 . 1 . 1 47 47 SER N N 15 113.986 0.3 . 1 . . . . . 276 SER N . 51423 1 213 . 1 . 1 48 48 PHE H H 1 7.369 0.02 . 1 . . . . . 277 PHE H . 51423 1 214 . 1 . 1 48 48 PHE C C 13 178.298 0.3 . 1 . . . . . 277 PHE C . 51423 1 215 . 1 . 1 48 48 PHE CA C 13 60.952 0.3 . 1 . . . . . 277 PHE CA . 51423 1 216 . 1 . 1 48 48 PHE CB C 13 39.584 0.3 . 1 . . . . . 277 PHE CB . 51423 1 217 . 1 . 1 48 48 PHE N N 15 123.487 0.3 . 1 . . . . . 277 PHE N . 51423 1 218 . 1 . 1 49 49 LEU H H 1 8.049 0.02 . 1 . . . . . 278 LEU H . 51423 1 219 . 1 . 1 49 49 LEU C C 13 177.068 0.3 . 1 . . . . . 278 LEU C . 51423 1 220 . 1 . 1 49 49 LEU CA C 13 57.774 0.3 . 1 . . . . . 278 LEU CA . 51423 1 221 . 1 . 1 49 49 LEU CB C 13 38.094 0.3 . 1 . . . . . 278 LEU CB . 51423 1 222 . 1 . 1 49 49 LEU N N 15 122.596 0.3 . 1 . . . . . 278 LEU N . 51423 1 223 . 1 . 1 50 50 TYR H H 1 7.753 0.02 . 1 . . . . . 279 TYR H . 51423 1 224 . 1 . 1 50 50 TYR C C 13 177.382 0.3 . 1 . . . . . 279 TYR C . 51423 1 225 . 1 . 1 50 50 TYR CA C 13 59.809 0.3 . 1 . . . . . 279 TYR CA . 51423 1 226 . 1 . 1 50 50 TYR CB C 13 37.781 0.3 . 1 . . . . . 279 TYR CB . 51423 1 227 . 1 . 1 50 50 TYR N N 15 120.369 0.3 . 1 . . . . . 279 TYR N . 51423 1 228 . 1 . 1 51 51 GLU H H 1 7.909 0.02 . 1 . . . . . 280 GLU H . 51423 1 229 . 1 . 1 51 51 GLU C C 13 179.225 0.3 . 1 . . . . . 280 GLU C . 51423 1 230 . 1 . 1 51 51 GLU CA C 13 58.631 0.3 . 1 . . . . . 280 GLU CA . 51423 1 231 . 1 . 1 51 51 GLU CB C 13 27.976 0.3 . 1 . . . . . 280 GLU CB . 51423 1 232 . 1 . 1 51 51 GLU N N 15 117.548 0.3 . 1 . . . . . 280 GLU N . 51423 1 233 . 1 . 1 52 52 ALA H H 1 7.961 0.02 . 1 . . . . . 281 ALA H . 51423 1 234 . 1 . 1 52 52 ALA C C 13 180.023 0.3 . 1 . . . . . 281 ALA C . 51423 1 235 . 1 . 1 52 52 ALA CA C 13 54.381 0.3 . 1 . . . . . 281 ALA CA . 51423 1 236 . 1 . 1 52 52 ALA CB C 13 17.78 0.3 . 1 . . . . . 281 ALA CB . 51423 1 237 . 1 . 1 52 52 ALA N N 15 122.596 0.3 . 1 . . . . . 281 ALA N . 51423 1 238 . 1 . 1 53 53 LEU H H 1 8.634 0.02 . 1 . . . . . 282 LEU H . 51423 1 239 . 1 . 1 53 53 LEU C C 13 180.598 0.3 . 1 . . . . . 282 LEU C . 51423 1 240 . 1 . 1 53 53 LEU CA C 13 57.024 0.3 . 1 . . . . . 282 LEU CA . 51423 1 241 . 1 . 1 53 53 LEU CB C 13 41.075 0.3 . 1 . . . . . 282 LEU CB . 51423 1 242 . 1 . 1 53 53 LEU N N 15 122.002 0.3 . 1 . . . . . 282 LEU N . 51423 1 243 . 1 . 1 54 54 LYS H H 1 7.9 0.02 . 1 . . . . . 283 LYS H . 51423 1 244 . 1 . 1 54 54 LYS C C 13 179.177 0.3 . 1 . . . . . 283 LYS C . 51423 1 245 . 1 . 1 54 54 LYS CA C 13 60.524 0.3 . 1 . . . . . 283 LYS CA . 51423 1 246 . 1 . 1 54 54 LYS CB C 13 30.643 0.3 . 1 . . . . . 283 LYS CB . 51423 1 247 . 1 . 1 54 54 LYS N N 15 119.184 0.3 . 1 . . . . . 283 LYS N . 51423 1 248 . 1 . 1 55 55 LYS H H 1 7.88 0.02 . 1 . . . . . 284 LYS H . 51423 1 249 . 1 . 1 55 55 LYS C C 13 177.143 0.3 . 1 . . . . . 284 LYS C . 51423 1 250 . 1 . 1 55 55 LYS CA C 13 56.845 0.3 . 1 . . . . . 284 LYS CA . 51423 1 251 . 1 . 1 55 55 LYS CB C 13 32.17 0.3 . 1 . . . . . 284 LYS CB . 51423 1 252 . 1 . 1 55 55 LYS N N 15 116.199 0.3 . 1 . . . . . 284 LYS N . 51423 1 253 . 1 . 1 56 56 GLY H H 1 7.598 0.02 . 1 . . . . . 285 GLY H . 51423 1 254 . 1 . 1 56 56 GLY C C 13 174.511 0.3 . 1 . . . . . 285 GLY C . 51423 1 255 . 1 . 1 56 56 GLY CA C 13 44.524 0.3 . 1 . . . . . 285 GLY CA . 51423 1 256 . 1 . 1 56 56 GLY N N 15 106.266 0.3 . 1 . . . . . 285 GLY N . 51423 1 257 . 1 . 1 57 57 ASP H H 1 8.136 0.02 . 1 . . . . . 286 ASP H . 51423 1 258 . 1 . 1 57 57 ASP C C 13 176.142 0.3 . 1 . . . . . 286 ASP C . 51423 1 259 . 1 . 1 57 57 ASP CA C 13 56.238 0.3 . 1 . . . . . 286 ASP CA . 51423 1 260 . 1 . 1 57 57 ASP CB C 13 41.075 0.3 . 1 . . . . . 286 ASP CB . 51423 1 261 . 1 . 1 57 57 ASP N N 15 121.554 0.3 . 1 . . . . . 286 ASP N . 51423 1 262 . 1 . 1 58 58 ILE H H 1 6.961 0.02 . 1 . . . . . 287 ILE H . 51423 1 263 . 1 . 1 58 58 ILE C C 13 173.23 0.3 . 1 . . . . . 287 ILE C . 51423 1 264 . 1 . 1 58 58 ILE CA C 13 58.417 0.3 . 1 . . . . . 287 ILE CA . 51423 1 265 . 1 . 1 58 58 ILE CB C 13 40.526 0.3 . 1 . . . . . 287 ILE CB . 51423 1 266 . 1 . 1 58 58 ILE N N 15 107.454 0.3 . 1 . . . . . 287 ILE N . 51423 1 267 . 1 . 1 59 59 ASP H H 1 9.062 0.02 . 1 . . . . . 288 ASP H . 51423 1 268 . 1 . 1 59 59 ASP C C 13 175.629 0.3 . 1 . . . . . 288 ASP C . 51423 1 269 . 1 . 1 59 59 ASP CA C 13 56.274 0.3 . 1 . . . . . 288 ASP CA . 51423 1 270 . 1 . 1 59 59 ASP CB C 13 43.977 0.3 . 1 . . . . . 288 ASP CB . 51423 1 271 . 1 . 1 59 59 ASP N N 15 118.307 0.3 . 1 . . . . . 288 ASP N . 51423 1 272 . 1 . 1 60 60 ILE H H 1 7.702 0.02 . 1 . . . . . 289 ILE H . 51423 1 273 . 1 . 1 60 60 ILE C C 13 174.735 0.3 . 1 . . . . . 289 ILE C . 51423 1 274 . 1 . 1 60 60 ILE CA C 13 59.667 0.3 . 1 . . . . . 289 ILE CA . 51423 1 275 . 1 . 1 60 60 ILE CB C 13 43.977 0.3 . 1 . . . . . 289 ILE CB . 51423 1 276 . 1 . 1 60 60 ILE N N 15 116.509 0.3 . 1 . . . . . 289 ILE N . 51423 1 277 . 1 . 1 61 61 TYR H H 1 8.62 0.02 . 1 . . . . . 290 TYR H . 51423 1 278 . 1 . 1 61 61 TYR C C 13 170.948 0.3 . 1 . . . . . 290 TYR C . 51423 1 279 . 1 . 1 61 61 TYR CA C 13 56.524 0.3 . 1 . . . . . 290 TYR CA . 51423 1 280 . 1 . 1 61 61 TYR CB C 13 39.898 0.3 . 1 . . . . . 290 TYR CB . 51423 1 281 . 1 . 1 61 61 TYR N N 15 123.168 0.3 . 1 . . . . . 290 TYR N . 51423 1 282 . 1 . 1 62 62 PRO C C 13 174.949 0.3 . 1 . . . . . 291 PRO C . 51423 1 283 . 1 . 1 62 62 PRO CA C 13 60.918 0.3 . 1 . . . . . 291 PRO CA . 51423 1 284 . 1 . 1 62 62 PRO CB C 13 29.388 0.3 . 1 . . . . . 291 PRO CB . 51423 1 285 . 1 . 1 63 63 GLU H H 1 8.989 0.02 . 1 . . . . . 292 GLU H . 51423 1 286 . 1 . 1 63 63 GLU C C 13 176.644 0.3 . 1 . . . . . 292 GLU C . 51423 1 287 . 1 . 1 63 63 GLU CA C 13 52.202 0.3 . 1 . . . . . 292 GLU CA . 51423 1 288 . 1 . 1 63 63 GLU CB C 13 32.29 0.3 . 1 . . . . . 292 GLU CB . 51423 1 289 . 1 . 1 63 63 GLU N N 15 124.823 0.3 . 1 . . . . . 292 GLU N . 51423 1 290 . 1 . 1 64 64 PHE H H 1 11.594 0.02 . 1 . . . . . 293 PHE H . 51423 1 291 . 1 . 1 64 64 PHE C C 13 180.267 0.3 . 1 . . . . . 293 PHE C . 51423 1 292 . 1 . 1 64 64 PHE CA C 13 57.232 0.3 . 1 . . . . . 293 PHE CA . 51423 1 293 . 1 . 1 64 64 PHE CB C 13 41.702 0.3 . 1 . . . . . 293 PHE CB . 51423 1 294 . 1 . 1 64 64 PHE N N 15 132.839 0.3 . 1 . . . . . 293 PHE N . 51423 1 295 . 1 . 1 65 65 THR H H 1 9.796 0.02 . 1 . . . . . 294 THR H . 51423 1 296 . 1 . 1 65 65 THR C C 13 177.97 0.3 . 1 . . . . . 294 THR C . 51423 1 297 . 1 . 1 65 65 THR CA C 13 65.095 0.3 . 1 . . . . . 294 THR CA . 51423 1 298 . 1 . 1 65 65 THR CB C 13 68.056 0.3 . 1 . . . . . 294 THR CB . 51423 1 299 . 1 . 1 65 65 THR N N 15 117.697 0.3 . 1 . . . . . 294 THR N . 51423 1 300 . 1 . 1 66 66 GLY H H 1 7.05 0.02 . 1 . . . . . 295 GLY H . 51423 1 301 . 1 . 1 66 66 GLY C C 13 175.614 0.3 . 1 . . . . . 295 GLY C . 51423 1 302 . 1 . 1 66 66 GLY CA C 13 46.452 0.3 . 1 . . . . . 295 GLY CA . 51423 1 303 . 1 . 1 66 66 GLY N N 15 104.336 0.3 . 1 . . . . . 295 GLY N . 51423 1 304 . 1 . 1 67 67 THR H H 1 7.561 0.02 . 1 . . . . . 296 THR H . 51423 1 305 . 1 . 1 67 67 THR C C 13 177.31 0.3 . 1 . . . . . 296 THR C . 51423 1 306 . 1 . 1 67 67 THR CA C 13 66.024 0.3 . 1 . . . . . 296 THR CA . 51423 1 307 . 1 . 1 67 67 THR CB C 13 68.134 0.3 . 1 . . . . . 296 THR CB . 51423 1 308 . 1 . 1 67 67 THR N N 15 120.518 0.3 . 1 . . . . . 296 THR N . 51423 1 309 . 1 . 1 68 68 VAL H H 1 8.013 0.02 . 1 . . . . . 297 VAL H . 51423 1 310 . 1 . 1 68 68 VAL C C 13 178.506 0.3 . 1 . . . . . 297 VAL C . 51423 1 311 . 1 . 1 68 68 VAL CA C 13 66.274 0.3 . 1 . . . . . 297 VAL CA . 51423 1 312 . 1 . 1 68 68 VAL CB C 13 30.173 0.3 . 1 . . . . . 297 VAL CB . 51423 1 313 . 1 . 1 68 68 VAL N N 15 122.562 0.3 . 1 . . . . . 297 VAL N . 51423 1 314 . 1 . 1 69 69 THR H H 1 7.598 0.02 . 1 . . . . . 298 THR H . 51423 1 315 . 1 . 1 69 69 THR C C 13 176.222 0.3 . 1 . . . . . 298 THR C . 51423 1 316 . 1 . 1 69 69 THR CA C 13 65.524 0.3 . 1 . . . . . 298 THR CA . 51423 1 317 . 1 . 1 69 69 THR CB C 13 66.58 0.3 . 1 . . . . . 298 THR CB . 51423 1 318 . 1 . 1 69 69 THR N N 15 107.157 0.3 . 1 . . . . . 298 THR N . 51423 1 319 . 1 . 1 70 70 GLU H H 1 7.968 0.02 . 1 . . . . . 299 GLU H . 51423 1 320 . 1 . 1 70 70 GLU C C 13 178.213 0.3 . 1 . . . . . 299 GLU C . 51423 1 321 . 1 . 1 70 70 GLU CA C 13 57.738 0.3 . 1 . . . . . 299 GLU CA . 51423 1 322 . 1 . 1 70 70 GLU CB C 13 29.702 0.3 . 1 . . . . . 299 GLU CB . 51423 1 323 . 1 . 1 70 70 GLU N N 15 119.48 0.3 . 1 . . . . . 299 GLU N . 51423 1 324 . 1 . 1 71 71 SER H H 1 8.16 0.02 . 1 . . . . . 300 SER H . 51423 1 325 . 1 . 1 71 71 SER C C 13 174.108 0.3 . 1 . . . . . 300 SER C . 51423 1 326 . 1 . 1 71 71 SER CA C 13 59.702 0.3 . 1 . . . . . 300 SER CA . 51423 1 327 . 1 . 1 71 71 SER CB C 13 64.448 0.3 . 1 . . . . . 300 SER CB . 51423 1 328 . 1 . 1 71 71 SER N N 15 111.907 0.3 . 1 . . . . . 300 SER N . 51423 1 329 . 1 . 1 72 72 LEU H H 1 7.235 0.02 . 1 . . . . . 301 LEU H . 51423 1 330 . 1 . 1 72 72 LEU C C 13 177.963 0.3 . 1 . . . . . 301 LEU C . 51423 1 331 . 1 . 1 72 72 LEU CA C 13 55.738 0.3 . 1 . . . . . 301 LEU CA . 51423 1 332 . 1 . 1 72 72 LEU CB C 13 40.526 0.3 . 1 . . . . . 301 LEU CB . 51423 1 333 . 1 . 1 72 72 LEU N N 15 118.588 0.3 . 1 . . . . . 301 LEU N . 51423 1 334 . 1 . 1 73 73 LEU H H 1 7.36 0.02 . 1 . . . . . 302 LEU H . 51423 1 335 . 1 . 1 73 73 LEU C C 13 175.359 0.3 . 1 . . . . . 302 LEU C . 51423 1 336 . 1 . 1 73 73 LEU CA C 13 54.131 0.3 . 1 . . . . . 302 LEU CA . 51423 1 337 . 1 . 1 73 73 LEU CB C 13 40.133 0.3 . 1 . . . . . 302 LEU CB . 51423 1 338 . 1 . 1 73 73 LEU N N 15 119.627 0.3 . 1 . . . . . 302 LEU N . 51423 1 339 . 1 . 1 74 74 GLN H H 1 8.271 0.02 . 1 . . . . . 303 GLN H . 51423 1 340 . 1 . 1 74 74 GLN C C 13 174.001 0.3 . 1 . . . . . 303 GLN C . 51423 1 341 . 1 . 1 74 74 GLN CA C 13 51.417 0.3 . 1 . . . . . 303 GLN CA . 51423 1 342 . 1 . 1 74 74 GLN CB C 13 30.408 0.3 . 1 . . . . . 303 GLN CB . 51423 1 343 . 1 . 1 74 74 GLN N N 15 121.557 0.3 . 1 . . . . . 303 GLN N . 51423 1 344 . 1 . 1 75 75 PRO C C 13 176.027 0.3 . 1 . . . . . 304 PRO C . 51423 1 345 . 1 . 1 75 75 PRO CA C 13 62.408 0.3 . 1 . . . . . 304 PRO CA . 51423 1 346 . 1 . 1 75 75 PRO CB C 13 33.545 0.3 . 1 . . . . . 304 PRO CB . 51423 1 347 . 1 . 1 76 76 SER H H 1 8.412 0.02 . 1 . . . . . 305 SER H . 51423 1 348 . 1 . 1 76 76 SER C C 13 173.92 0.3 . 1 . . . . . 305 SER C . 51423 1 349 . 1 . 1 76 76 SER CA C 13 56.202 0.3 . 1 . . . . . 305 SER CA . 51423 1 350 . 1 . 1 76 76 SER CB C 13 62.606 0.3 . 1 . . . . . 305 SER CB . 51423 1 351 . 1 . 1 76 76 SER N N 15 117.845 0.3 . 1 . . . . . 305 SER N . 51423 1 352 . 1 . 1 77 77 PRO C C 13 175.614 0.3 . 1 . . . . . 306 PRO C . 51423 1 353 . 1 . 1 77 77 PRO CA C 13 61.467 0.3 . 1 . . . . . 306 PRO CA . 51423 1 354 . 1 . 1 77 77 PRO CB C 13 31.192 0.3 . 1 . . . . . 306 PRO CB . 51423 1 355 . 1 . 1 78 78 LYS H H 1 8.164 0.02 . 1 . . . . . 307 LYS H . 51423 1 356 . 1 . 1 78 78 LYS C C 13 176.406 0.3 . 1 . . . . . 307 LYS C . 51423 1 357 . 1 . 1 78 78 LYS CA C 13 55.631 0.3 . 1 . . . . . 307 LYS CA . 51423 1 358 . 1 . 1 78 78 LYS CB C 13 30.8 0.3 . 1 . . . . . 307 LYS CB . 51423 1 359 . 1 . 1 78 78 LYS N N 15 121.949 0.3 . 1 . . . . . 307 LYS N . 51423 1 360 . 1 . 1 79 79 VAL H H 1 8.19 0.02 . 1 . . . . . 308 VAL H . 51423 1 361 . 1 . 1 79 79 VAL C C 13 174.968 0.3 . 1 . . . . . 308 VAL C . 51423 1 362 . 1 . 1 79 79 VAL CA C 13 59.559 0.3 . 1 . . . . . 308 VAL CA . 51423 1 363 . 1 . 1 79 79 VAL CB C 13 34.094 0.3 . 1 . . . . . 308 VAL CB . 51423 1 364 . 1 . 1 79 79 VAL N N 15 121.408 0.3 . 1 . . . . . 308 VAL N . 51423 1 365 . 1 . 1 80 80 SER H H 1 7.916 0.02 . 1 . . . . . 309 SER H . 51423 1 366 . 1 . 1 80 80 SER C C 13 172.618 0.3 . 1 . . . . . 309 SER C . 51423 1 367 . 1 . 1 80 80 SER CA C 13 56.952 0.3 . 1 . . . . . 309 SER CA . 51423 1 368 . 1 . 1 80 80 SER CB C 13 63.977 0.3 . 1 . . . . . 309 SER CB . 51423 1 369 . 1 . 1 80 80 SER N N 15 118.885 0.3 . 1 . . . . . 309 SER N . 51423 1 370 . 1 . 1 81 81 HIS H H 1 8.308 0.02 . 1 . . . . . 310 HIS H . 51423 1 371 . 1 . 1 81 81 HIS C C 13 173.531 0.3 . 1 . . . . . 310 HIS C . 51423 1 372 . 1 . 1 81 81 HIS CA C 13 53.024 0.3 . 1 . . . . . 310 HIS CA . 51423 1 373 . 1 . 1 81 81 HIS CB C 13 28.183 0.3 . 1 . . . . . 310 HIS CB . 51423 1 374 . 1 . 1 81 81 HIS N N 15 114.282 0.3 . 1 . . . . . 310 HIS N . 51423 1 375 . 1 . 1 82 82 GLU H H 1 8.091 0.02 . 1 . . . . . 311 GLU H . 51423 1 376 . 1 . 1 82 82 GLU C C 13 175.697 0.3 . 1 . . . . . 311 GLU C . 51423 1 377 . 1 . 1 82 82 GLU CA C 13 53.559 0.3 . 1 . . . . . 311 GLU CA . 51423 1 378 . 1 . 1 82 82 GLU CB C 13 29.153 0.3 . 1 . . . . . 311 GLU CB . 51423 1 379 . 1 . 1 82 82 GLU N N 15 123.284 0.3 . 1 . . . . . 311 GLU N . 51423 1 380 . 1 . 1 83 83 PRO C C 13 179.427 0.3 . 1 . . . . . 312 PRO C . 51423 1 381 . 1 . 1 83 83 PRO CA C 13 66.095 0.3 . 1 . . . . . 312 PRO CA . 51423 1 382 . 1 . 1 83 83 PRO CB C 13 31.349 0.3 . 1 . . . . . 312 PRO CB . 51423 1 383 . 1 . 1 84 84 GLU H H 1 9.248 0.02 . 1 . . . . . 313 GLU H . 51423 1 384 . 1 . 1 84 84 GLU C C 13 178.941 0.3 . 1 . . . . . 313 GLU C . 51423 1 385 . 1 . 1 84 84 GLU CA C 13 59.309 0.3 . 1 . . . . . 313 GLU CA . 51423 1 386 . 1 . 1 84 84 GLU CB C 13 28.29 0.3 . 1 . . . . . 313 GLU CB . 51423 1 387 . 1 . 1 84 84 GLU N N 15 118.439 0.3 . 1 . . . . . 313 GLU N . 51423 1 388 . 1 . 1 85 85 GLN H H 1 7.243 0.02 . 1 . . . . . 314 GLN H . 51423 1 389 . 1 . 1 85 85 GLN C C 13 177.707 0.3 . 1 . . . . . 314 GLN C . 51423 1 390 . 1 . 1 85 85 GLN CA C 13 58.309 0.3 . 1 . . . . . 314 GLN CA . 51423 1 391 . 1 . 1 85 85 GLN CB C 13 27.584 0.3 . 1 . . . . . 314 GLN CB . 51423 1 392 . 1 . 1 85 85 GLN N N 15 120.518 0.3 . 1 . . . . . 314 GLN N . 51423 1 393 . 1 . 1 86 86 VAL H H 1 7.672 0.02 . 1 . . . . . 315 VAL H . 51423 1 394 . 1 . 1 86 86 VAL C C 13 177.765 0.3 . 1 . . . . . 315 VAL C . 51423 1 395 . 1 . 1 86 86 VAL CA C 13 66.881 0.3 . 1 . . . . . 315 VAL CA . 51423 1 396 . 1 . 1 86 86 VAL CB C 13 30.8 0.3 . 1 . . . . . 315 VAL CB . 51423 1 397 . 1 . 1 86 86 VAL N N 15 118.885 0.3 . 1 . . . . . 315 VAL N . 51423 1 398 . 1 . 1 87 87 TYR H H 1 7.872 0.02 . 1 . . . . . 316 TYR H . 51423 1 399 . 1 . 1 87 87 TYR C C 13 175.414 0.3 . 1 . . . . . 316 TYR C . 51423 1 400 . 1 . 1 87 87 TYR CA C 13 61.417 0.3 . 1 . . . . . 316 TYR CA . 51423 1 401 . 1 . 1 87 87 TYR CB C 13 36.522 0.3 . 1 . . . . . 316 TYR CB . 51423 1 402 . 1 . 1 87 87 TYR N N 15 116.212 0.3 . 1 . . . . . 316 TYR N . 51423 1 403 . 1 . 1 88 88 GLN H H 1 7.923 0.02 . 1 . . . . . 317 GLN H . 51423 1 404 . 1 . 1 88 88 GLN C C 13 177.872 0.3 . 1 . . . . . 317 GLN C . 51423 1 405 . 1 . 1 88 88 GLN CA C 13 59.508 0.3 . 1 . . . . . 317 GLN CA . 51423 1 406 . 1 . 1 88 88 GLN CB C 13 27.114 0.3 . 1 . . . . . 317 GLN CB . 51423 1 407 . 1 . 1 88 88 GLN N N 15 118.862 0.3 . 1 . . . . . 317 GLN N . 51423 1 408 . 1 . 1 89 89 VAL H H 1 8.064 0.02 . 1 . . . . . 318 VAL H . 51423 1 409 . 1 . 1 89 89 VAL C C 13 179.64 0.3 . 1 . . . . . 318 VAL C . 51423 1 410 . 1 . 1 89 89 VAL CA C 13 65.559 0.3 . 1 . . . . . 318 VAL CA . 51423 1 411 . 1 . 1 89 89 VAL CB C 13 30.722 0.3 . 1 . . . . . 318 VAL CB . 51423 1 412 . 1 . 1 89 89 VAL N N 15 118.439 0.3 . 1 . . . . . 318 VAL N . 51423 1 413 . 1 . 1 90 90 ALA H H 1 8.178 0.02 . 1 . . . . . 319 ALA H . 51423 1 414 . 1 . 1 90 90 ALA C C 13 178.106 0.3 . 1 . . . . . 319 ALA C . 51423 1 415 . 1 . 1 90 90 ALA CA C 13 55.238 0.3 . 1 . . . . . 319 ALA CA . 51423 1 416 . 1 . 1 90 90 ALA CB C 13 18.486 0.3 . 1 . . . . . 319 ALA CB . 51423 1 417 . 1 . 1 90 90 ALA N N 15 123.773 0.3 . 1 . . . . . 319 ALA N . 51423 1 418 . 1 . 1 91 91 ARG H H 1 9.044 0.02 . 1 . . . . . 320 ARG H . 51423 1 419 . 1 . 1 91 91 ARG C C 13 179.784 0.3 . 1 . . . . . 320 ARG C . 51423 1 420 . 1 . 1 91 91 ARG CA C 13 58.702 0.3 . 1 . . . . . 320 ARG CA . 51423 1 421 . 1 . 1 91 91 ARG CB C 13 28.447 0.3 . 1 . . . . . 320 ARG CB . 51423 1 422 . 1 . 1 91 91 ARG N N 15 117.842 0.3 . 1 . . . . . 320 ARG N . 51423 1 423 . 1 . 1 92 92 ASP H H 1 8.604 0.02 . 1 . . . . . 321 ASP H . 51423 1 424 . 1 . 1 92 92 ASP C C 13 179.384 0.3 . 1 . . . . . 321 ASP C . 51423 1 425 . 1 . 1 92 92 ASP CA C 13 56.559 0.3 . 1 . . . . . 321 ASP CA . 51423 1 426 . 1 . 1 92 92 ASP CB C 13 39.114 0.3 . 1 . . . . . 321 ASP CB . 51423 1 427 . 1 . 1 92 92 ASP N N 15 120.666 0.3 . 1 . . . . . 321 ASP N . 51423 1 428 . 1 . 1 93 93 GLY H H 1 8.449 0.02 . 1 . . . . . 322 GLY H . 51423 1 429 . 1 . 1 93 93 GLY C C 13 176.542 0.3 . 1 . . . . . 322 GLY C . 51423 1 430 . 1 . 1 93 93 GLY CA C 13 46.917 0.3 . 1 . . . . . 322 GLY CA . 51423 1 431 . 1 . 1 93 93 GLY N N 15 108.79 0.3 . 1 . . . . . 322 GLY N . 51423 1 432 . 1 . 1 94 94 ILE H H 1 8.701 0.02 . 1 . . . . . 323 ILE H . 51423 1 433 . 1 . 1 94 94 ILE C C 13 178.244 0.3 . 1 . . . . . 323 ILE C . 51423 1 434 . 1 . 1 94 94 ILE CA C 13 60.738 0.3 . 1 . . . . . 323 ILE CA . 51423 1 435 . 1 . 1 94 94 ILE CB C 13 38.722 0.3 . 1 . . . . . 323 ILE CB . 51423 1 436 . 1 . 1 94 94 ILE N N 15 125.417 0.3 . 1 . . . . . 323 ILE N . 51423 1 437 . 1 . 1 95 95 ALA H H 1 7.383 0.02 . 1 . . . . . 324 ALA H . 51423 1 438 . 1 . 1 95 95 ALA C C 13 180.079 0.3 . 1 . . . . . 324 ALA C . 51423 1 439 . 1 . 1 95 95 ALA CA C 13 55.238 0.3 . 1 . . . . . 324 ALA CA . 51423 1 440 . 1 . 1 95 95 ALA CB C 13 17.466 0.3 . 1 . . . . . 324 ALA CB . 51423 1 441 . 1 . 1 95 95 ALA N N 15 128.534 0.3 . 1 . . . . . 324 ALA N . 51423 1 442 . 1 . 1 96 96 LYS H H 1 7.213 0.02 . 1 . . . . . 325 LYS H . 51423 1 443 . 1 . 1 96 96 LYS C C 13 177.901 0.3 . 1 . . . . . 325 LYS C . 51423 1 444 . 1 . 1 96 96 LYS CA C 13 58.059 0.3 . 1 . . . . . 325 LYS CA . 51423 1 445 . 1 . 1 96 96 LYS CB C 13 31.584 0.3 . 1 . . . . . 325 LYS CB . 51423 1 446 . 1 . 1 96 96 LYS N N 15 117.994 0.3 . 1 . . . . . 325 LYS N . 51423 1 447 . 1 . 1 97 97 GLN H H 1 8.175 0.02 . 1 . . . . . 326 GLN H . 51423 1 448 . 1 . 1 97 97 GLN C C 13 176.347 0.3 . 1 . . . . . 326 GLN C . 51423 1 449 . 1 . 1 97 97 GLN CA C 13 58.702 0.3 . 1 . . . . . 326 GLN CA . 51423 1 450 . 1 . 1 97 97 GLN CB C 13 31.593 0.3 . 1 . . . . . 326 GLN CB . 51423 1 451 . 1 . 1 97 97 GLN N N 15 115.619 0.3 . 1 . . . . . 326 GLN N . 51423 1 452 . 1 . 1 98 98 ASP H H 1 7.183 0.02 . 1 . . . . . 327 ASP H . 51423 1 453 . 1 . 1 98 98 ASP C C 13 174.91 0.3 . 1 . . . . . 327 ASP C . 51423 1 454 . 1 . 1 98 98 ASP CA C 13 53.702 0.3 . 1 . . . . . 327 ASP CA . 51423 1 455 . 1 . 1 98 98 ASP CB C 13 45.781 0.3 . 1 . . . . . 327 ASP CB . 51423 1 456 . 1 . 1 98 98 ASP N N 15 112.649 0.3 . 1 . . . . . 327 ASP N . 51423 1 457 . 1 . 1 99 99 HIS H H 1 7.724 0.02 . 1 . . . . . 328 HIS H . 51423 1 458 . 1 . 1 99 99 HIS C C 13 174.677 0.3 . 1 . . . . . 328 HIS C . 51423 1 459 . 1 . 1 99 99 HIS CA C 13 56.774 0.3 . 1 . . . . . 328 HIS CA . 51423 1 460 . 1 . 1 99 99 HIS CB C 13 25.31 0.3 . 1 . . . . . 328 HIS CB . 51423 1 461 . 1 . 1 99 99 HIS N N 15 116.806 0.3 . 1 . . . . . 328 HIS N . 51423 1 462 . 1 . 1 100 100 LEU H H 1 6.984 0.02 . 1 . . . . . 329 LEU H . 51423 1 463 . 1 . 1 100 100 LEU C C 13 175.104 0.3 . 1 . . . . . 329 LEU C . 51423 1 464 . 1 . 1 100 100 LEU CA C 13 52.952 0.3 . 1 . . . . . 329 LEU CA . 51423 1 465 . 1 . 1 100 100 LEU CB C 13 40.683 0.3 . 1 . . . . . 329 LEU CB . 51423 1 466 . 1 . 1 100 100 LEU N N 15 116.509 0.3 . 1 . . . . . 329 LEU N . 51423 1 467 . 1 . 1 101 101 ALA H H 1 9.374 0.02 . 1 . . . . . 330 ALA H . 51423 1 468 . 1 . 1 101 101 ALA C C 13 173.381 0.3 . 1 . . . . . 330 ALA C . 51423 1 469 . 1 . 1 101 101 ALA CA C 13 50.738 0.3 . 1 . . . . . 330 ALA CA . 51423 1 470 . 1 . 1 101 101 ALA CB C 13 19.976 0.3 . 1 . . . . . 330 ALA CB . 51423 1 471 . 1 . 1 101 101 ALA N N 15 127.792 0.3 . 1 . . . . . 330 ALA N . 51423 1 472 . 1 . 1 102 102 TYR H H 1 7.724 0.02 . 1 . . . . . 331 TYR H . 51423 1 473 . 1 . 1 102 102 TYR C C 13 177.067 0.3 . 1 . . . . . 331 TYR C . 51423 1 474 . 1 . 1 102 102 TYR CA C 13 52.095 0.3 . 1 . . . . . 331 TYR CA . 51423 1 475 . 1 . 1 102 102 TYR CB C 13 39.349 0.3 . 1 . . . . . 331 TYR CB . 51423 1 476 . 1 . 1 102 102 TYR N N 15 126.456 0.3 . 1 . . . . . 331 TYR N . 51423 1 477 . 1 . 1 103 103 LEU H H 1 8.094 0.02 . 1 . . . . . 332 LEU H . 51423 1 478 . 1 . 1 103 103 LEU C C 13 171.969 0.3 . 1 . . . . . 332 LEU C . 51423 1 479 . 1 . 1 103 103 LEU CA C 13 54.917 0.3 . 1 . . . . . 332 LEU CA . 51423 1 480 . 1 . 1 103 103 LEU CB C 13 38.094 0.3 . 1 . . . . . 332 LEU CB . 51423 1 481 . 1 . 1 103 103 LEU N N 15 129.573 0.3 . 1 . . . . . 332 LEU N . 51423 1 482 . 1 . 1 104 104 LYS H H 1 7.035 0.02 . 1 . . . . . 333 LYS H . 51423 1 483 . 1 . 1 104 104 LYS C C 13 175.263 0.3 . 1 . . . . . 333 LYS C . 51423 1 484 . 1 . 1 104 104 LYS CA C 13 54.952 0.3 . 1 . . . . . 333 LYS CA . 51423 1 485 . 1 . 1 104 104 LYS CB C 13 31.82 0.3 . 1 . . . . . 333 LYS CB . 51423 1 486 . 1 . 1 104 104 LYS N N 15 113.243 0.3 . 1 . . . . . 333 LYS N . 51423 1 487 . 1 . 1 105 105 PRO C C 13 179.77 0.3 . 1 . . . . . 334 PRO C . 51423 1 488 . 1 . 1 105 105 PRO CA C 13 61.31 0.3 . 1 . . . . . 334 PRO CA . 51423 1 489 . 1 . 1 105 105 PRO CB C 13 31.663 0.3 . 1 . . . . . 334 PRO CB . 51423 1 490 . 1 . 1 106 106 MET H H 1 7.946 0.02 . 1 . . . . . 335 MET H . 51423 1 491 . 1 . 1 106 106 MET C C 13 174.337 0.3 . 1 . . . . . 335 MET C . 51423 1 492 . 1 . 1 106 106 MET CA C 13 56.202 0.3 . 1 . . . . . 335 MET CA . 51423 1 493 . 1 . 1 106 106 MET CB C 13 31.663 0.3 . 1 . . . . . 335 MET CB . 51423 1 494 . 1 . 1 106 106 MET N N 15 120.963 0.3 . 1 . . . . . 335 MET N . 51423 1 495 . 1 . 1 107 107 SER H H 1 8.508 0.02 . 1 . . . . . 336 SER H . 51423 1 496 . 1 . 1 107 107 SER C C 13 177.989 0.3 . 1 . . . . . 336 SER C . 51423 1 497 . 1 . 1 107 107 SER CA C 13 60.274 0.3 . 1 . . . . . 336 SER CA . 51423 1 498 . 1 . 1 107 107 SER CB C 13 62.408 0.3 . 1 . . . . . 336 SER CB . 51423 1 499 . 1 . 1 107 107 SER N N 15 111.016 0.3 . 1 . . . . . 336 SER N . 51423 1 500 . 1 . 1 108 108 TYR H H 1 7.413 0.02 . 1 . . . . . 337 TYR H . 51423 1 501 . 1 . 1 108 108 TYR C C 13 173.803 0.3 . 1 . . . . . 337 TYR C . 51423 1 502 . 1 . 1 108 108 TYR CA C 13 57.809 0.3 . 1 . . . . . 337 TYR CA . 51423 1 503 . 1 . 1 108 108 TYR CB C 13 36.682 0.3 . 1 . . . . . 337 TYR CB . 51423 1 504 . 1 . 1 108 108 TYR N N 15 115.767 0.3 . 1 . . . . . 337 TYR N . 51423 1 505 . 1 . 1 109 109 GLN H H 1 9.048 0.02 . 1 . . . . . 338 GLN H . 51423 1 506 . 1 . 1 109 109 GLN C C 13 177.299 0.3 . 1 . . . . . 338 GLN C . 51423 1 507 . 1 . 1 109 109 GLN CA C 13 53.095 0.3 . 1 . . . . . 338 GLN CA . 51423 1 508 . 1 . 1 109 109 GLN CB C 13 30.016 0.3 . 1 . . . . . 338 GLN CB . 51423 1 509 . 1 . 1 109 109 GLN N N 15 118.291 0.3 . 1 . . . . . 338 GLN N . 51423 1 510 . 1 . 1 110 110 ASN H H 1 8.834 0.02 . 1 . . . . . 339 ASN H . 51423 1 511 . 1 . 1 110 110 ASN C C 13 172.847 0.3 . 1 . . . . . 339 ASN C . 51423 1 512 . 1 . 1 110 110 ASN CA C 13 51.024 0.3 . 1 . . . . . 339 ASN CA . 51423 1 513 . 1 . 1 110 110 ASN CB C 13 37.781 0.3 . 1 . . . . . 339 ASN CB . 51423 1 514 . 1 . 1 110 110 ASN N N 15 123.784 0.3 . 1 . . . . . 339 ASN N . 51423 1 515 . 1 . 1 111 111 THR H H 1 8.382 0.02 . 1 . . . . . 340 THR H . 51423 1 516 . 1 . 1 111 111 THR C C 13 172.968 0.3 . 1 . . . . . 340 THR C . 51423 1 517 . 1 . 1 111 111 THR CA C 13 58.059 0.3 . 1 . . . . . 340 THR CA . 51423 1 518 . 1 . 1 111 111 THR CB C 13 70.173 0.3 . 1 . . . . . 340 THR CB . 51423 1 519 . 1 . 1 111 111 THR N N 15 115.619 0.3 . 1 . . . . . 340 THR N . 51423 1 520 . 1 . 1 112 112 TYR H H 1 7.117 0.02 . 1 . . . . . 341 TYR H . 51423 1 521 . 1 . 1 112 112 TYR C C 13 173.052 0.3 . 1 . . . . . 341 TYR C . 51423 1 522 . 1 . 1 112 112 TYR CA C 13 56.917 0.3 . 1 . . . . . 341 TYR CA . 51423 1 523 . 1 . 1 112 112 TYR CB C 13 37.31 0.3 . 1 . . . . . 341 TYR CB . 51423 1 524 . 1 . 1 112 112 TYR N N 15 121.26 0.3 . 1 . . . . . 341 TYR N . 51423 1 525 . 1 . 1 113 113 ALA H H 1 7.753 0.02 . 1 . . . . . 342 ALA H . 51423 1 526 . 1 . 1 113 113 ALA C C 13 175.279 0.3 . 1 . . . . . 342 ALA C . 51423 1 527 . 1 . 1 113 113 ALA CA C 13 49.845 0.3 . 1 . . . . . 342 ALA CA . 51423 1 528 . 1 . 1 113 113 ALA CB C 13 22.094 0.3 . 1 . . . . . 342 ALA CB . 51423 1 529 . 1 . 1 113 113 ALA N N 15 117.697 0.3 . 1 . . . . . 342 ALA N . 51423 1 530 . 1 . 1 114 114 VAL H H 1 8.775 0.02 . 1 . . . . . 343 VAL H . 51423 1 531 . 1 . 1 114 114 VAL C C 13 173.514 0.3 . 1 . . . . . 343 VAL C . 51423 1 532 . 1 . 1 114 114 VAL CA C 13 61.238 0.3 . 1 . . . . . 343 VAL CA . 51423 1 533 . 1 . 1 114 114 VAL CB C 13 31.898 0.3 . 1 . . . . . 343 VAL CB . 51423 1 534 . 1 . 1 114 114 VAL N N 15 119.775 0.3 . 1 . . . . . 343 VAL N . 51423 1 535 . 1 . 1 115 115 ALA H H 1 8.908 0.02 . 1 . . . . . 344 ALA H . 51423 1 536 . 1 . 1 115 115 ALA C C 13 175.342 0.3 . 1 . . . . . 344 ALA C . 51423 1 537 . 1 . 1 115 115 ALA CA C 13 49.167 0.3 . 1 . . . . . 344 ALA CA . 51423 1 538 . 1 . 1 115 115 ALA CB C 13 22.565 0.3 . 1 . . . . . 344 ALA CB . 51423 1 539 . 1 . 1 115 115 ALA N N 15 128.831 0.3 . 1 . . . . . 344 ALA N . 51423 1 540 . 1 . 1 116 116 VAL H H 1 8.234 0.02 . 1 . . . . . 345 VAL H . 51423 1 541 . 1 . 1 116 116 VAL C C 13 173.444 0.3 . 1 . . . . . 345 VAL C . 51423 1 542 . 1 . 1 116 116 VAL CA C 13 56.274 0.3 . 1 . . . . . 345 VAL CA . 51423 1 543 . 1 . 1 116 116 VAL CB C 13 33.467 0.3 . 1 . . . . . 345 VAL CB . 51423 1 544 . 1 . 1 116 116 VAL N N 15 110.868 0.3 . 1 . . . . . 345 VAL N . 51423 1 545 . 1 . 1 117 117 PRO C C 13 178.018 0.3 . 1 . . . . . 346 PRO C . 51423 1 546 . 1 . 1 117 117 PRO CA C 13 63.114 0.3 . 1 . . . . . 346 PRO CA . 51423 1 547 . 1 . 1 117 117 PRO CB C 13 31.584 0.3 . 1 . . . . . 346 PRO CB . 51423 1 548 . 1 . 1 118 118 LYS H H 1 9.078 0.02 . 1 . . . . . 347 LYS H . 51423 1 549 . 1 . 1 118 118 LYS C C 13 179.216 0.3 . 1 . . . . . 347 LYS C . 51423 1 550 . 1 . 1 118 118 LYS CA C 13 60.452 0.3 . 1 . . . . . 347 LYS CA . 51423 1 551 . 1 . 1 118 118 LYS CB C 13 31.584 0.3 . 1 . . . . . 347 LYS CB . 51423 1 552 . 1 . 1 118 118 LYS N N 15 128.683 0.3 . 1 . . . . . 347 LYS N . 51423 1 553 . 1 . 1 119 119 LYS H H 1 8.908 0.02 . 1 . . . . . 348 LYS H . 51423 1 554 . 1 . 1 119 119 LYS C C 13 179.397 0.3 . 1 . . . . . 348 LYS C . 51423 1 555 . 1 . 1 119 119 LYS CA C 13 58.952 0.3 . 1 . . . . . 348 LYS CA . 51423 1 556 . 1 . 1 119 119 LYS CB C 13 31.349 0.3 . 1 . . . . . 348 LYS CB . 51423 1 557 . 1 . 1 119 119 LYS N N 15 116.658 0.3 . 1 . . . . . 348 LYS N . 51423 1 558 . 1 . 1 120 120 ILE H H 1 6.91 0.02 . 1 . . . . . 349 ILE H . 51423 1 559 . 1 . 1 120 120 ILE C C 13 177.629 0.3 . 1 . . . . . 349 ILE C . 51423 1 560 . 1 . 1 120 120 ILE CA C 13 61.345 0.3 . 1 . . . . . 349 ILE CA . 51423 1 561 . 1 . 1 120 120 ILE CB C 13 35.506 0.3 . 1 . . . . . 349 ILE CB . 51423 1 562 . 1 . 1 120 120 ILE N N 15 120.369 0.3 . 1 . . . . . 349 ILE N . 51423 1 563 . 1 . 1 121 121 ALA H H 1 8.101 0.02 . 1 . . . . . 350 ALA H . 51423 1 564 . 1 . 1 121 121 ALA C C 13 180.543 0.3 . 1 . . . . . 350 ALA C . 51423 1 565 . 1 . 1 121 121 ALA CA C 13 55.309 0.3 . 1 . . . . . 350 ALA CA . 51423 1 566 . 1 . 1 121 121 ALA CB C 13 16.133 0.3 . 1 . . . . . 350 ALA CB . 51423 1 567 . 1 . 1 121 121 ALA N N 15 123.19 0.3 . 1 . . . . . 350 ALA N . 51423 1 568 . 1 . 1 122 122 GLN H H 1 8.086 0.02 . 1 . . . . . 351 GLN H . 51423 1 569 . 1 . 1 122 122 GLN C C 13 178.434 0.3 . 1 . . . . . 351 GLN C . 51423 1 570 . 1 . 1 122 122 GLN CA C 13 57.809 0.3 . 1 . . . . . 351 GLN CA . 51423 1 571 . 1 . 1 122 122 GLN CB C 13 27.741 0.3 . 1 . . . . . 351 GLN CB . 51423 1 572 . 1 . 1 122 122 GLN N N 15 115.767 0.3 . 1 . . . . . 351 GLN N . 51423 1 573 . 1 . 1 123 123 GLU H H 1 7.902 0.02 . 1 . . . . . 352 GLU H . 51423 1 574 . 1 . 1 123 123 GLU C C 13 178.185 0.3 . 1 . . . . . 352 GLU C . 51423 1 575 . 1 . 1 123 123 GLU CA C 13 58.738 0.3 . 1 . . . . . 352 GLU CA . 51423 1 576 . 1 . 1 123 123 GLU CB C 13 28.918 0.3 . 1 . . . . . 352 GLU CB . 51423 1 577 . 1 . 1 123 123 GLU N N 15 120.961 0.3 . 1 . . . . . 352 GLU N . 51423 1 578 . 1 . 1 124 124 TYR H H 1 7.82 0.02 . 1 . . . . . 353 TYR H . 51423 1 579 . 1 . 1 124 124 TYR C C 13 175.415 0.3 . 1 . . . . . 353 TYR C . 51423 1 580 . 1 . 1 124 124 TYR CA C 13 57.702 0.3 . 1 . . . . . 353 TYR CA . 51423 1 581 . 1 . 1 124 124 TYR CB C 13 37.615 0.3 . 1 . . . . . 353 TYR CB . 51423 1 582 . 1 . 1 124 124 TYR N N 15 112.649 0.3 . 1 . . . . . 353 TYR N . 51423 1 583 . 1 . 1 125 125 GLY H H 1 7.42 0.02 . 1 . . . . . 354 GLY H . 51423 1 584 . 1 . 1 125 125 GLY C C 13 174.988 0.3 . 1 . . . . . 354 GLY C . 51423 1 585 . 1 . 1 125 125 GLY CA C 13 47.238 0.3 . 1 . . . . . 354 GLY CA . 51423 1 586 . 1 . 1 125 125 GLY N N 15 111.462 0.3 . 1 . . . . . 354 GLY N . 51423 1 587 . 1 . 1 126 126 LEU H H 1 8.56 0.02 . 1 . . . . . 355 LEU H . 51423 1 588 . 1 . 1 126 126 LEU C C 13 174.751 0.3 . 1 . . . . . 355 LEU C . 51423 1 589 . 1 . 1 126 126 LEU CA C 13 53.488 0.3 . 1 . . . . . 355 LEU CA . 51423 1 590 . 1 . 1 126 126 LEU CB C 13 42.094 0.3 . 1 . . . . . 355 LEU CB . 51423 1 591 . 1 . 1 126 126 LEU N N 15 119.181 0.3 . 1 . . . . . 355 LEU N . 51423 1 592 . 1 . 1 127 127 LYS H H 1 9.811 0.02 . 1 . . . . . 356 LYS H . 51423 1 593 . 1 . 1 127 127 LYS C C 13 177.066 0.3 . 1 . . . . . 356 LYS C . 51423 1 594 . 1 . 1 127 127 LYS CA C 13 57.131 0.3 . 1 . . . . . 356 LYS CA . 51423 1 595 . 1 . 1 127 127 LYS CB C 13 35.192 0.3 . 1 . . . . . 356 LYS CB . 51423 1 596 . 1 . 1 127 127 LYS N N 15 123.635 0.3 . 1 . . . . . 356 LYS N . 51423 1 597 . 1 . 1 128 128 THR H H 1 8.849 0.02 . 1 . . . . . 357 THR H . 51423 1 598 . 1 . 1 128 128 THR C C 13 174.93 0.3 . 1 . . . . . 357 THR C . 51423 1 599 . 1 . 1 128 128 THR CA C 13 59.095 0.3 . 1 . . . . . 357 THR CA . 51423 1 600 . 1 . 1 128 128 THR CB C 13 70.722 0.3 . 1 . . . . . 357 THR CB . 51423 1 601 . 1 . 1 128 128 THR N N 15 114.134 0.3 . 1 . . . . . 357 THR N . 51423 1 602 . 1 . 1 129 129 ILE H H 1 9.122 0.02 . 1 . . . . . 358 ILE H . 51423 1 603 . 1 . 1 129 129 ILE C C 13 178.989 0.3 . 1 . . . . . 358 ILE C . 51423 1 604 . 1 . 1 129 129 ILE CA C 13 65.845 0.3 . 1 . . . . . 358 ILE CA . 51423 1 605 . 1 . 1 129 129 ILE CB C 13 36.604 0.3 . 1 . . . . . 358 ILE CB . 51423 1 606 . 1 . 1 129 129 ILE N N 15 122.151 0.3 . 1 . . . . . 358 ILE N . 51423 1 607 . 1 . 1 130 130 SER H H 1 8.406 0.02 . 1 . . . . . 359 SER H . 51423 1 608 . 1 . 1 130 130 SER C C 13 177.489 0.3 . 1 . . . . . 359 SER C . 51423 1 609 . 1 . 1 130 130 SER CA C 13 63.059 0.3 . 1 . . . . . 359 SER CA . 51423 1 610 . 1 . 1 130 130 SER CB C 13 61.546 0.3 . 1 . . . . . 359 SER CB . 51423 1 611 . 1 . 1 130 130 SER N N 15 116.656 0.3 . 1 . . . . . 359 SER N . 51423 1 612 . 1 . 1 131 131 ASP H H 1 7.85 0.02 . 1 . . . . . 360 ASP H . 51423 1 613 . 1 . 1 131 131 ASP C C 13 177.183 0.3 . 1 . . . . . 360 ASP C . 51423 1 614 . 1 . 1 131 131 ASP CA C 13 56.702 0.3 . 1 . . . . . 360 ASP CA . 51423 1 615 . 1 . 1 131 131 ASP CB C 13 40.839 0.3 . 1 . . . . . 360 ASP CB . 51423 1 616 . 1 . 1 131 131 ASP N N 15 122.893 0.3 . 1 . . . . . 360 ASP N . 51423 1 617 . 1 . 1 132 132 LEU H H 1 8.153 0.02 . 1 . . . . . 361 LEU H . 51423 1 618 . 1 . 1 132 132 LEU C C 13 178.697 0.3 . 1 . . . . . 361 LEU C . 51423 1 619 . 1 . 1 132 132 LEU CA C 13 55.952 0.3 . 1 . . . . . 361 LEU CA . 51423 1 620 . 1 . 1 132 132 LEU CB C 13 40.761 0.3 . 1 . . . . . 361 LEU CB . 51423 1 621 . 1 . 1 132 132 LEU N N 15 117.252 0.3 . 1 . . . . . 361 LEU N . 51423 1 622 . 1 . 1 133 133 LYS H H 1 7.517 0.02 . 1 . . . . . 362 LYS H . 51423 1 623 . 1 . 1 133 133 LYS C C 13 178.503 0.3 . 1 . . . . . 362 LYS C . 51423 1 624 . 1 . 1 133 133 LYS CA C 13 57.667 0.3 . 1 . . . . . 362 LYS CA . 51423 1 625 . 1 . 1 133 133 LYS CB C 13 30.8 0.3 . 1 . . . . . 362 LYS CB . 51423 1 626 . 1 . 1 133 133 LYS N N 15 119.775 0.3 . 1 . . . . . 362 LYS N . 51423 1 627 . 1 . 1 134 134 LYS H H 1 7.554 0.02 . 1 . . . . . 363 LYS H . 51423 1 628 . 1 . 1 134 134 LYS C C 13 177.77 0.3 . 1 . . . . . 363 LYS C . 51423 1 629 . 1 . 1 134 134 LYS CA C 13 58.167 0.3 . 1 . . . . . 363 LYS CA . 51423 1 630 . 1 . 1 134 134 LYS CB C 13 31.976 0.3 . 1 . . . . . 363 LYS CB . 51423 1 631 . 1 . 1 134 134 LYS N N 15 114.728 0.3 . 1 . . . . . 363 LYS N . 51423 1 632 . 1 . 1 135 135 VAL H H 1 7.109 0.02 . 1 . . . . . 364 VAL H . 51423 1 633 . 1 . 1 135 135 VAL C C 13 176.949 0.3 . 1 . . . . . 364 VAL C . 51423 1 634 . 1 . 1 135 135 VAL CA C 13 59.381 0.3 . 1 . . . . . 364 VAL CA . 51423 1 635 . 1 . 1 135 135 VAL CB C 13 31.349 0.3 . 1 . . . . . 364 VAL CB . 51423 1 636 . 1 . 1 135 135 VAL N N 15 107.157 0.3 . 1 . . . . . 364 VAL N . 51423 1 637 . 1 . 1 136 136 GLU H H 1 7.176 0.02 . 1 . . . . . 365 GLU H . 51423 1 638 . 1 . 1 136 136 GLU C C 13 177.171 0.3 . 1 . . . . . 365 GLU C . 51423 1 639 . 1 . 1 136 136 GLU CA C 13 58.309 0.3 . 1 . . . . . 365 GLU CA . 51423 1 640 . 1 . 1 136 136 GLU CB C 13 28.839 0.3 . 1 . . . . . 365 GLU CB . 51423 1 641 . 1 . 1 136 136 GLU N N 15 123.784 0.3 . 1 . . . . . 365 GLU N . 51423 1 642 . 1 . 1 137 137 GLY H H 1 8.59 0.02 . 1 . . . . . 366 GLY H . 51423 1 643 . 1 . 1 137 137 GLY C C 13 174.592 0.3 . 1 . . . . . 366 GLY C . 51423 1 644 . 1 . 1 137 137 GLY CA C 13 44.881 0.3 . 1 . . . . . 366 GLY CA . 51423 1 645 . 1 . 1 137 137 GLY N N 15 106.711 0.3 . 1 . . . . . 366 GLY N . 51423 1 646 . 1 . 1 138 138 GLN H H 1 7.665 0.02 . 1 . . . . . 367 GLN H . 51423 1 647 . 1 . 1 138 138 GLN C C 13 175.247 0.3 . 1 . . . . . 367 GLN C . 51423 1 648 . 1 . 1 138 138 GLN CA C 13 55.952 0.3 . 1 . . . . . 367 GLN CA . 51423 1 649 . 1 . 1 138 138 GLN CB C 13 30.957 0.3 . 1 . . . . . 367 GLN CB . 51423 1 650 . 1 . 1 138 138 GLN N N 15 117.697 0.3 . 1 . . . . . 367 GLN N . 51423 1 651 . 1 . 1 139 139 LEU H H 1 6.961 0.02 . 1 . . . . . 368 LEU H . 51423 1 652 . 1 . 1 139 139 LEU C C 13 175.996 0.3 . 1 . . . . . 368 LEU C . 51423 1 653 . 1 . 1 139 139 LEU CA C 13 53.131 0.3 . 1 . . . . . 368 LEU CA . 51423 1 654 . 1 . 1 139 139 LEU CB C 13 42.486 0.3 . 1 . . . . . 368 LEU CB . 51423 1 655 . 1 . 1 139 139 LEU N N 15 116.955 0.3 . 1 . . . . . 368 LEU N . 51423 1 656 . 1 . 1 140 140 LYS H H 1 8.826 0.02 . 1 . . . . . 369 LYS H . 51423 1 657 . 1 . 1 140 140 LYS C C 13 174.656 0.3 . 1 . . . . . 369 LYS C . 51423 1 658 . 1 . 1 140 140 LYS CA C 13 55.202 0.3 . 1 . . . . . 369 LYS CA . 51423 1 659 . 1 . 1 140 140 LYS CB C 13 34.173 0.3 . 1 . . . . . 369 LYS CB . 51423 1 660 . 1 . 1 140 140 LYS N N 15 122.299 0.3 . 1 . . . . . 369 LYS N . 51423 1 661 . 1 . 1 141 141 ALA H H 1 8.686 0.02 . 1 . . . . . 370 ALA H . 51423 1 662 . 1 . 1 141 141 ALA C C 13 175.985 0.3 . 1 . . . . . 370 ALA C . 51423 1 663 . 1 . 1 141 141 ALA CA C 13 48.952 0.3 . 1 . . . . . 370 ALA CA . 51423 1 664 . 1 . 1 141 141 ALA CB C 13 20.839 0.3 . 1 . . . . . 370 ALA CB . 51423 1 665 . 1 . 1 141 141 ALA N N 15 126.307 0.3 . 1 . . . . . 370 ALA N . 51423 1 666 . 1 . 1 142 142 GLY H H 1 8.101 0.02 . 1 . . . . . 371 GLY H . 51423 1 667 . 1 . 1 142 142 GLY C C 13 171.733 0.3 . 1 . . . . . 371 GLY C . 51423 1 668 . 1 . 1 142 142 GLY CA C 13 44.595 0.3 . 1 . . . . . 371 GLY CA . 51423 1 669 . 1 . 1 142 142 GLY N N 15 111.462 0.3 . 1 . . . . . 371 GLY N . 51423 1 670 . 1 . 1 143 143 PHE H H 1 8.005 0.02 . 1 . . . . . 372 PHE H . 51423 1 671 . 1 . 1 143 143 PHE C C 13 176.879 0.3 . 1 . . . . . 372 PHE C . 51423 1 672 . 1 . 1 143 143 PHE CA C 13 51.238 0.3 . 1 . . . . . 372 PHE CA . 51423 1 673 . 1 . 1 143 143 PHE CB C 13 42.016 0.3 . 1 . . . . . 372 PHE CB . 51423 1 674 . 1 . 1 143 143 PHE N N 15 123.919 0.3 . 1 . . . . . 372 PHE N . 51423 1 675 . 1 . 1 144 144 THR H H 1 10.307 0.02 . 1 . . . . . 373 THR H . 51423 1 676 . 1 . 1 144 144 THR C C 13 175.79 0.3 . 1 . . . . . 373 THR C . 51423 1 677 . 1 . 1 144 144 THR CA C 13 61.702 0.3 . 1 . . . . . 373 THR CA . 51423 1 678 . 1 . 1 144 144 THR CB C 13 70.409 0.3 . 1 . . . . . 373 THR CB . 51423 1 679 . 1 . 1 144 144 THR N N 15 114.579 0.3 . 1 . . . . . 373 THR N . 51423 1 680 . 1 . 1 145 145 LEU H H 1 8.619 0.02 . 1 . . . . . 374 LEU H . 51423 1 681 . 1 . 1 145 145 LEU C C 13 179.059 0.3 . 1 . . . . . 374 LEU C . 51423 1 682 . 1 . 1 145 145 LEU CA C 13 58.167 0.3 . 1 . . . . . 374 LEU CA . 51423 1 683 . 1 . 1 145 145 LEU CB C 13 40.839 0.3 . 1 . . . . . 374 LEU CB . 51423 1 684 . 1 . 1 145 145 LEU N N 15 123.932 0.3 . 1 . . . . . 374 LEU N . 51423 1 685 . 1 . 1 146 146 GLU H H 1 8.612 0.02 . 1 . . . . . 375 GLU H . 51423 1 686 . 1 . 1 146 146 GLU C C 13 178.506 0.3 . 1 . . . . . 375 GLU C . 51423 1 687 . 1 . 1 146 146 GLU CA C 13 59.452 0.3 . 1 . . . . . 375 GLU CA . 51423 1 688 . 1 . 1 146 146 GLU CB C 13 28.133 0.3 . 1 . . . . . 375 GLU CB . 51423 1 689 . 1 . 1 146 146 GLU N N 15 116.064 0.3 . 1 . . . . . 375 GLU N . 51423 1 690 . 1 . 1 147 147 PHE H H 1 7.198 0.02 . 1 . . . . . 376 PHE H . 51423 1 691 . 1 . 1 147 147 PHE C C 13 178.478 0.3 . 1 . . . . . 376 PHE C . 51423 1 692 . 1 . 1 147 147 PHE CA C 13 60.881 0.3 . 1 . . . . . 376 PHE CA . 51423 1 693 . 1 . 1 147 147 PHE CB C 13 39.192 0.3 . 1 . . . . . 376 PHE CB . 51423 1 694 . 1 . 1 147 147 PHE N N 15 118.736 0.3 . 1 . . . . . 376 PHE N . 51423 1 695 . 1 . 1 148 148 ASN H H 1 8.501 0.02 . 1 . . . . . 377 ASN H . 51423 1 696 . 1 . 1 148 148 ASN C C 13 176.206 0.3 . 1 . . . . . 377 ASN C . 51423 1 697 . 1 . 1 148 148 ASN CA C 13 55.881 0.3 . 1 . . . . . 377 ASN CA . 51423 1 698 . 1 . 1 148 148 ASN CB C 13 39.271 0.3 . 1 . . . . . 377 ASN CB . 51423 1 699 . 1 . 1 148 148 ASN N N 15 117.994 0.3 . 1 . . . . . 377 ASN N . 51423 1 700 . 1 . 1 149 149 ASP H H 1 7.555 0.02 . 1 . . . . . 378 ASP H . 51423 1 701 . 1 . 1 149 149 ASP C C 13 176.365 0.3 . 1 . . . . . 378 ASP C . 51423 1 702 . 1 . 1 149 149 ASP CA C 13 54.488 0.3 . 1 . . . . . 378 ASP CA . 51423 1 703 . 1 . 1 149 149 ASP CB C 13 41.31 0.3 . 1 . . . . . 378 ASP CB . 51423 1 704 . 1 . 1 149 149 ASP N N 15 115.578 0.3 . 1 . . . . . 378 ASP N . 51423 1 705 . 1 . 1 150 150 ARG H H 1 7.013 0.02 . 1 . . . . . 379 ARG H . 51423 1 706 . 1 . 1 150 150 ARG C C 13 178.024 0.3 . 1 . . . . . 379 ARG C . 51423 1 707 . 1 . 1 150 150 ARG CA C 13 56.167 0.3 . 1 . . . . . 379 ARG CA . 51423 1 708 . 1 . 1 150 150 ARG CB C 13 31.271 0.3 . 1 . . . . . 379 ARG CB . 51423 1 709 . 1 . 1 150 150 ARG N N 15 119.627 0.3 . 1 . . . . . 379 ARG N . 51423 1 710 . 1 . 1 151 151 GLU H H 1 8.863 0.02 . 1 . . . . . 380 GLU H . 51423 1 711 . 1 . 1 151 151 GLU C C 13 176.925 0.3 . 1 . . . . . 380 GLU C . 51423 1 712 . 1 . 1 151 151 GLU CA C 13 58.917 0.3 . 1 . . . . . 380 GLU CA . 51423 1 713 . 1 . 1 151 151 GLU CB C 13 28.525 0.3 . 1 . . . . . 380 GLU CB . 51423 1 714 . 1 . 1 151 151 GLU N N 15 123.487 0.3 . 1 . . . . . 380 GLU N . 51423 1 715 . 1 . 1 152 152 ASP H H 1 8.405 0.02 . 1 . . . . . 381 ASP H . 51423 1 716 . 1 . 1 152 152 ASP C C 13 173.253 0.3 . 1 . . . . . 381 ASP C . 51423 1 717 . 1 . 1 152 152 ASP CA C 13 51.559 0.3 . 1 . . . . . 381 ASP CA . 51423 1 718 . 1 . 1 152 152 ASP CB C 13 37.388 0.3 . 1 . . . . . 381 ASP CB . 51423 1 719 . 1 . 1 152 152 ASP N N 15 115.915 0.3 . 1 . . . . . 381 ASP N . 51423 1 720 . 1 . 1 153 153 GLY H H 1 6.91 0.02 . 1 . . . . . 382 GLY H . 51423 1 721 . 1 . 1 153 153 GLY C C 13 175.998 0.3 . 1 . . . . . 382 GLY C . 51423 1 722 . 1 . 1 153 153 GLY CA C 13 42.917 0.3 . 1 . . . . . 382 GLY CA . 51423 1 723 . 1 . 1 153 153 GLY N N 15 105.078 0.3 . 1 . . . . . 382 GLY N . 51423 1 724 . 1 . 1 154 154 ASN H H 1 7.702 0.02 . 1 . . . . . 383 ASN H . 51423 1 725 . 1 . 1 154 154 ASN C C 13 177.208 0.3 . 1 . . . . . 383 ASN C . 51423 1 726 . 1 . 1 154 154 ASN CA C 13 56.381 0.3 . 1 . . . . . 383 ASN CA . 51423 1 727 . 1 . 1 154 154 ASN CB C 13 38.8 0.3 . 1 . . . . . 383 ASN CB . 51423 1 728 . 1 . 1 154 154 ASN N N 15 124.08 0.3 . 1 . . . . . 383 ASN N . 51423 1 729 . 1 . 1 155 155 LYS H H 1 7.58 0.02 . 1 . . . . . 384 LYS H . 51423 1 730 . 1 . 1 155 155 LYS C C 13 179.432 0.3 . 1 . . . . . 384 LYS C . 51423 1 731 . 1 . 1 155 155 LYS CA C 13 59.238 0.3 . 1 . . . . . 384 LYS CA . 51423 1 732 . 1 . 1 155 155 LYS CB C 13 30.408 0.3 . 1 . . . . . 384 LYS CB . 51423 1 733 . 1 . 1 155 155 LYS N N 15 116.043 0.3 . 1 . . . . . 384 LYS N . 51423 1 734 . 1 . 1 156 156 GLY H H 1 6.998 0.02 . 1 . . . . . 385 GLY H . 51423 1 735 . 1 . 1 156 156 GLY C C 13 177.19 0.3 . 1 . . . . . 385 GLY C . 51423 1 736 . 1 . 1 156 156 GLY CA C 13 46.381 0.3 . 1 . . . . . 385 GLY CA . 51423 1 737 . 1 . 1 156 156 GLY N N 15 109.532 0.3 . 1 . . . . . 385 GLY N . 51423 1 738 . 1 . 1 157 157 LEU H H 1 8.22 0.02 . 1 . . . . . 386 LEU H . 51423 1 739 . 1 . 1 157 157 LEU C C 13 180.032 0.3 . 1 . . . . . 386 LEU C . 51423 1 740 . 1 . 1 157 157 LEU CA C 13 58.238 0.3 . 1 . . . . . 386 LEU CA . 51423 1 741 . 1 . 1 157 157 LEU CB C 13 38.486 0.3 . 1 . . . . . 386 LEU CB . 51423 1 742 . 1 . 1 157 157 LEU N N 15 124.229 0.3 . 1 . . . . . 386 LEU N . 51423 1 743 . 1 . 1 158 158 GLN H H 1 7.676 0.02 . 1 . . . . . 387 GLN H . 51423 1 744 . 1 . 1 158 158 GLN C C 13 178.985 0.3 . 1 . . . . . 387 GLN C . 51423 1 745 . 1 . 1 158 158 GLN CA C 13 58.173 0.3 . 1 . . . . . 387 GLN CA . 51423 1 746 . 1 . 1 158 158 GLN CB C 13 28.29 0.3 . 1 . . . . . 387 GLN CB . 51423 1 747 . 1 . 1 158 158 GLN N N 15 117.567 0.3 . 1 . . . . . 387 GLN N . 51423 1 748 . 1 . 1 159 159 SER H H 1 8.412 0.02 . 1 . . . . . 388 SER H . 51423 1 749 . 1 . 1 159 159 SER C C 13 175.895 0.3 . 1 . . . . . 388 SER C . 51423 1 750 . 1 . 1 159 159 SER CA C 13 60.524 0.3 . 1 . . . . . 388 SER CA . 51423 1 751 . 1 . 1 159 159 SER CB C 13 62.408 0.3 . 1 . . . . . 388 SER CB . 51423 1 752 . 1 . 1 159 159 SER N N 15 114.876 0.3 . 1 . . . . . 388 SER N . 51423 1 753 . 1 . 1 160 160 MET H H 1 9.149 0.02 . 1 . . . . . 389 MET H . 51423 1 754 . 1 . 1 160 160 MET C C 13 177.468 0.3 . 1 . . . . . 389 MET C . 51423 1 755 . 1 . 1 160 160 MET CA C 13 56.702 0.3 . 1 . . . . . 389 MET CA . 51423 1 756 . 1 . 1 160 160 MET CB C 13 32.212 0.3 . 1 . . . . . 389 MET CB . 51423 1 757 . 1 . 1 160 160 MET N N 15 122.151 0.3 . 1 . . . . . 389 MET N . 51423 1 758 . 1 . 1 161 161 TYR H H 1 6.865 0.02 . 1 . . . . . 390 TYR H . 51423 1 759 . 1 . 1 161 161 TYR C C 13 176.484 0.3 . 1 . . . . . 390 TYR C . 51423 1 760 . 1 . 1 161 161 TYR CA C 13 59.238 0.3 . 1 . . . . . 390 TYR CA . 51423 1 761 . 1 . 1 161 161 TYR CB C 13 39.428 0.3 . 1 . . . . . 390 TYR CB . 51423 1 762 . 1 . 1 161 161 TYR N N 15 112.649 0.3 . 1 . . . . . 390 TYR N . 51423 1 763 . 1 . 1 162 162 GLY H H 1 7.011 0.02 . 1 . . . . . 391 GLY H . 51423 1 764 . 1 . 1 162 162 GLY C C 13 174.486 0.3 . 1 . . . . . 391 GLY C . 51423 1 765 . 1 . 1 162 162 GLY CA C 13 46.452 0.3 . 1 . . . . . 391 GLY CA . 51423 1 766 . 1 . 1 162 162 GLY N N 15 109.427 0.3 . 1 . . . . . 391 GLY N . 51423 1 767 . 1 . 1 163 163 LEU H H 1 7.85 0.02 . 1 . . . . . 392 LEU H . 51423 1 768 . 1 . 1 163 163 LEU C C 13 175.817 0.3 . 1 . . . . . 392 LEU C . 51423 1 769 . 1 . 1 163 163 LEU CA C 13 53.702 0.3 . 1 . . . . . 392 LEU CA . 51423 1 770 . 1 . 1 163 163 LEU CB C 13 42.565 0.3 . 1 . . . . . 392 LEU CB . 51423 1 771 . 1 . 1 163 163 LEU N N 15 120.072 0.3 . 1 . . . . . 392 LEU N . 51423 1 772 . 1 . 1 164 164 ASN H H 1 9.574 0.02 . 1 . . . . . 393 ASN H . 51423 1 773 . 1 . 1 164 164 ASN C C 13 173.977 0.3 . 1 . . . . . 393 ASN C . 51423 1 774 . 1 . 1 164 164 ASN CA C 13 50.881 0.3 . 1 . . . . . 393 ASN CA . 51423 1 775 . 1 . 1 164 164 ASN CB C 13 38.173 0.3 . 1 . . . . . 393 ASN CB . 51423 1 776 . 1 . 1 164 164 ASN N N 15 127.05 0.3 . 1 . . . . . 393 ASN N . 51423 1 777 . 1 . 1 165 165 LEU H H 1 7.968 0.02 . 1 . . . . . 394 LEU H . 51423 1 778 . 1 . 1 165 165 LEU C C 13 176.982 0.3 . 1 . . . . . 394 LEU C . 51423 1 779 . 1 . 1 165 165 LEU CA C 13 54.024 0.3 . 1 . . . . . 394 LEU CA . 51423 1 780 . 1 . 1 165 165 LEU CB C 13 41.232 0.3 . 1 . . . . . 394 LEU CB . 51423 1 781 . 1 . 1 165 165 LEU N N 15 118.588 0.3 . 1 . . . . . 394 LEU N . 51423 1 782 . 1 . 1 166 166 ASN H H 1 9.604 0.02 . 1 . . . . . 395 ASN H . 51423 1 783 . 1 . 1 166 166 ASN C C 13 173.65 0.3 . 1 . . . . . 395 ASN C . 51423 1 784 . 1 . 1 166 166 ASN CA C 13 52.274 0.3 . 1 . . . . . 395 ASN CA . 51423 1 785 . 1 . 1 166 166 ASN CB C 13 37.075 0.3 . 1 . . . . . 395 ASN CB . 51423 1 786 . 1 . 1 166 166 ASN N N 15 123.338 0.3 . 1 . . . . . 395 ASN N . 51423 1 787 . 1 . 1 167 167 VAL H H 1 7.872 0.02 . 1 . . . . . 396 VAL H . 51423 1 788 . 1 . 1 167 167 VAL C C 13 175.64 0.3 . 1 . . . . . 396 VAL C . 51423 1 789 . 1 . 1 167 167 VAL CA C 13 61.131 0.3 . 1 . . . . . 396 VAL CA . 51423 1 790 . 1 . 1 167 167 VAL CB C 13 34.565 0.3 . 1 . . . . . 396 VAL CB . 51423 1 791 . 1 . 1 167 167 VAL N N 15 125.417 0.3 . 1 . . . . . 396 VAL N . 51423 1 792 . 1 . 1 168 168 ALA H H 1 8.279 0.02 . 1 . . . . . 397 ALA H . 51423 1 793 . 1 . 1 168 168 ALA C C 13 176.785 0.3 . 1 . . . . . 397 ALA C . 51423 1 794 . 1 . 1 168 168 ALA CA C 13 49.881 0.3 . 1 . . . . . 397 ALA CA . 51423 1 795 . 1 . 1 168 168 ALA CB C 13 20.133 0.3 . 1 . . . . . 397 ALA CB . 51423 1 796 . 1 . 1 168 168 ALA N N 15 130.613 0.3 . 1 . . . . . 397 ALA N . 51423 1 797 . 1 . 1 169 169 THR H H 1 8.36 0.02 . 1 . . . . . 398 THR H . 51423 1 798 . 1 . 1 169 169 THR C C 13 175.439 0.3 . 1 . . . . . 398 THR C . 51423 1 799 . 1 . 1 169 169 THR CA C 13 60.238 0.3 . 1 . . . . . 398 THR CA . 51423 1 800 . 1 . 1 169 169 THR CB C 13 68.605 0.3 . 1 . . . . . 398 THR CB . 51423 1 801 . 1 . 1 169 169 THR N N 15 116.806 0.3 . 1 . . . . . 398 THR N . 51423 1 802 . 1 . 1 170 170 MET H H 1 8.315 0.02 . 1 . . . . . 399 MET H . 51423 1 803 . 1 . 1 170 170 MET C C 13 175.391 0.3 . 1 . . . . . 399 MET C . 51423 1 804 . 1 . 1 170 170 MET CA C 13 53.702 0.3 . 1 . . . . . 399 MET CA . 51423 1 805 . 1 . 1 170 170 MET CB C 13 36.761 0.3 . 1 . . . . . 399 MET CB . 51423 1 806 . 1 . 1 170 170 MET N N 15 122.598 0.3 . 1 . . . . . 399 MET N . 51423 1 807 . 1 . 1 171 171 GLN H H 1 8.317 0.02 . 1 . . . . . 400 GLN H . 51423 1 808 . 1 . 1 171 171 GLN C C 13 175.677 0.3 . 1 . . . . . 400 GLN C . 51423 1 809 . 1 . 1 171 171 GLN CA C 13 54.309 0.3 . 1 . . . . . 400 GLN CA . 51423 1 810 . 1 . 1 171 171 GLN CB C 13 27.035 0.3 . 1 . . . . . 400 GLN CB . 51423 1 811 . 1 . 1 171 171 GLN N N 15 122.002 0.3 . 1 . . . . . 400 GLN N . 51423 1 812 . 1 . 1 172 172 PRO C C 13 179.38 0.3 . 1 . . . . . 401 PRO C . 51423 1 813 . 1 . 1 172 172 PRO CA C 13 65.952 0.3 . 1 . . . . . 401 PRO CA . 51423 1 814 . 1 . 1 172 172 PRO CB C 13 39.192 0.3 . 1 . . . . . 401 PRO CB . 51423 1 815 . 1 . 1 173 173 ALA H H 1 8.656 0.02 . 1 . . . . . 402 ALA H . 51423 1 816 . 1 . 1 173 173 ALA C C 13 180.474 0.3 . 1 . . . . . 402 ALA C . 51423 1 817 . 1 . 1 173 173 ALA CA C 13 54.417 0.3 . 1 . . . . . 402 ALA CA . 51423 1 818 . 1 . 1 173 173 ALA CB C 13 17.466 0.3 . 1 . . . . . 402 ALA CB . 51423 1 819 . 1 . 1 173 173 ALA N N 15 118.165 0.3 . 1 . . . . . 402 ALA N . 51423 1 820 . 1 . 1 174 174 LEU H H 1 7.087 0.02 . 1 . . . . . 403 LEU H . 51423 1 821 . 1 . 1 174 174 LEU C C 13 179.4 0.3 . 1 . . . . . 403 LEU C . 51423 1 822 . 1 . 1 174 174 LEU CA C 13 55.881 0.3 . 1 . . . . . 403 LEU CA . 51423 1 823 . 1 . 1 174 174 LEU CB C 13 40.369 0.3 . 1 . . . . . 403 LEU CB . 51423 1 824 . 1 . 1 174 174 LEU N N 15 117.4 0.3 . 1 . . . . . 403 LEU N . 51423 1 825 . 1 . 1 175 175 ARG H H 1 7.369 0.02 . 1 . . . . . 404 ARG H . 51423 1 826 . 1 . 1 175 175 ARG C C 13 177.278 0.3 . 1 . . . . . 404 ARG C . 51423 1 827 . 1 . 1 175 175 ARG CA C 13 57.488 0.3 . 1 . . . . . 404 ARG CA . 51423 1 828 . 1 . 1 175 175 ARG CB C 13 27.976 0.3 . 1 . . . . . 404 ARG CB . 51423 1 829 . 1 . 1 175 175 ARG N N 15 118.885 0.3 . 1 . . . . . 404 ARG N . 51423 1 830 . 1 . 1 176 176 TYR H H 1 6.799 0.02 . 1 . . . . . 405 TYR H . 51423 1 831 . 1 . 1 176 176 TYR C C 13 177.856 0.3 . 1 . . . . . 405 TYR C . 51423 1 832 . 1 . 1 176 176 TYR CA C 13 59.881 0.3 . 1 . . . . . 405 TYR CA . 51423 1 833 . 1 . 1 176 176 TYR CB C 13 35.82 0.3 . 1 . . . . . 405 TYR CB . 51423 1 834 . 1 . 1 176 176 TYR N N 15 119.775 0.3 . 1 . . . . . 405 TYR N . 51423 1 835 . 1 . 1 177 177 GLN H H 1 7.309 0.02 . 1 . . . . . 406 GLN H . 51423 1 836 . 1 . 1 177 177 GLN C C 13 178.729 0.3 . 1 . . . . . 406 GLN C . 51423 1 837 . 1 . 1 177 177 GLN CA C 13 58.381 0.3 . 1 . . . . . 406 GLN CA . 51423 1 838 . 1 . 1 177 177 GLN CB C 13 27.349 0.3 . 1 . . . . . 406 GLN CB . 51423 1 839 . 1 . 1 177 177 GLN N N 15 119.627 0.3 . 1 . . . . . 406 GLN N . 51423 1 840 . 1 . 1 178 178 ALA H H 1 8.107 0.02 . 1 . . . . . 407 ALA H . 51423 1 841 . 1 . 1 178 178 ALA C C 13 179.94 0.3 . 1 . . . . . 407 ALA C . 51423 1 842 . 1 . 1 178 178 ALA CA C 13 53.845 0.3 . 1 . . . . . 407 ALA CA . 51423 1 843 . 1 . 1 178 178 ALA CB C 13 17.702 0.3 . 1 . . . . . 407 ALA CB . 51423 1 844 . 1 . 1 178 178 ALA N N 15 121.854 0.3 . 1 . . . . . 407 ALA N . 51423 1 845 . 1 . 1 179 179 ILE H H 1 7.798 0.02 . 1 . . . . . 408 ILE H . 51423 1 846 . 1 . 1 179 179 ILE C C 13 178.659 0.3 . 1 . . . . . 408 ILE C . 51423 1 847 . 1 . 1 179 179 ILE CA C 13 62.024 0.3 . 1 . . . . . 408 ILE CA . 51423 1 848 . 1 . 1 179 179 ILE CB C 13 36.29 0.3 . 1 . . . . . 408 ILE CB . 51423 1 849 . 1 . 1 179 179 ILE N N 15 121.408 0.3 . 1 . . . . . 408 ILE N . 51423 1 850 . 1 . 1 180 180 HIS H H 1 8.009 0.02 . 1 . . . . . 409 HIS H . 51423 1 851 . 1 . 1 180 180 HIS C C 13 177.522 0.3 . 1 . . . . . 409 HIS C . 51423 1 852 . 1 . 1 180 180 HIS CA C 13 58.524 0.3 . 1 . . . . . 409 HIS CA . 51423 1 853 . 1 . 1 180 180 HIS CB C 13 30.094 0.3 . 1 . . . . . 409 HIS CB . 51423 1 854 . 1 . 1 180 180 HIS N N 15 124.074 0.3 . 1 . . . . . 409 HIS N . 51423 1 855 . 1 . 1 181 181 SER H H 1 8.234 0.02 . 1 . . . . . 410 SER H . 51423 1 856 . 1 . 1 181 181 SER C C 13 175.172 0.3 . 1 . . . . . 410 SER C . 51423 1 857 . 1 . 1 181 181 SER CA C 13 58.952 0.3 . 1 . . . . . 410 SER CA . 51423 1 858 . 1 . 1 181 181 SER CB C 13 63.114 0.3 . 1 . . . . . 410 SER CB . 51423 1 859 . 1 . 1 181 181 SER N N 15 112.056 0.3 . 1 . . . . . 410 SER N . 51423 1 860 . 1 . 1 182 182 GLY H H 1 7.488 0.02 . 1 . . . . . 411 GLY H . 51423 1 861 . 1 . 1 182 182 GLY C C 13 174.264 0.3 . 1 . . . . . 411 GLY C . 51423 1 862 . 1 . 1 182 182 GLY CA C 13 44.702 0.3 . 1 . . . . . 411 GLY CA . 51423 1 863 . 1 . 1 182 182 GLY N N 15 109.286 0.3 . 1 . . . . . 411 GLY N . 51423 1 864 . 1 . 1 183 183 ASP H H 1 8.081 0.02 . 1 . . . . . 412 ASP H . 51423 1 865 . 1 . 1 183 183 ASP C C 13 176.972 0.3 . 1 . . . . . 412 ASP C . 51423 1 866 . 1 . 1 183 183 ASP CA C 13 56.631 0.3 . 1 . . . . . 412 ASP CA . 51423 1 867 . 1 . 1 183 183 ASP CB C 13 41.388 0.3 . 1 . . . . . 412 ASP CB . 51423 1 868 . 1 . 1 183 183 ASP N N 15 121.808 0.3 . 1 . . . . . 412 ASP N . 51423 1 869 . 1 . 1 184 184 ILE H H 1 7.028 0.02 . 1 . . . . . 413 ILE H . 51423 1 870 . 1 . 1 184 184 ILE C C 13 174.908 0.3 . 1 . . . . . 413 ILE C . 51423 1 871 . 1 . 1 184 184 ILE CA C 13 59.024 0.3 . 1 . . . . . 413 ILE CA . 51423 1 872 . 1 . 1 184 184 ILE CB C 13 40.526 0.3 . 1 . . . . . 413 ILE CB . 51423 1 873 . 1 . 1 184 184 ILE N N 15 107.899 0.3 . 1 . . . . . 413 ILE N . 51423 1 874 . 1 . 1 185 185 GLN H H 1 8.479 0.02 . 1 . . . . . 414 GLN H . 51423 1 875 . 1 . 1 185 185 GLN C C 13 171.489 0.3 . 1 . . . . . 414 GLN C . 51423 1 876 . 1 . 1 185 185 GLN CA C 13 56.199 0.3 . 1 . . . . . 414 GLN CA . 51423 1 877 . 1 . 1 185 185 GLN CB C 13 31.133 0.3 . 1 . . . . . 414 GLN CB . 51423 1 878 . 1 . 1 185 185 GLN N N 15 117.632 0.3 . 1 . . . . . 414 GLN N . 51423 1 879 . 1 . 1 186 186 ILE H H 1 7.095 0.02 . 1 . . . . . 415 ILE H . 51423 1 880 . 1 . 1 186 186 ILE C C 13 174.832 0.3 . 1 . . . . . 415 ILE C . 51423 1 881 . 1 . 1 186 186 ILE CA C 13 58.988 0.3 . 1 . . . . . 415 ILE CA . 51423 1 882 . 1 . 1 186 186 ILE CB C 13 41.702 0.3 . 1 . . . . . 415 ILE CB . 51423 1 883 . 1 . 1 186 186 ILE N N 15 115.47 0.3 . 1 . . . . . 415 ILE N . 51423 1 884 . 1 . 1 187 187 THR H H 1 8.9 0.02 . 1 . . . . . 416 THR H . 51423 1 885 . 1 . 1 187 187 THR C C 13 170.458 0.3 . 1 . . . . . 416 THR C . 51423 1 886 . 1 . 1 187 187 THR CA C 13 60.024 0.3 . 1 . . . . . 416 THR CA . 51423 1 887 . 1 . 1 187 187 THR CB C 13 70.173 0.3 . 1 . . . . . 416 THR CB . 51423 1 888 . 1 . 1 187 187 THR N N 15 121.111 0.3 . 1 . . . . . 416 THR N . 51423 1 889 . 1 . 1 188 188 ASP H H 1 8.826 0.02 . 1 . . . . . 417 ASP H . 51423 1 890 . 1 . 1 188 188 ASP C C 13 174.638 0.3 . 1 . . . . . 417 ASP C . 51423 1 891 . 1 . 1 188 188 ASP CA C 13 50.952 0.3 . 1 . . . . . 417 ASP CA . 51423 1 892 . 1 . 1 188 188 ASP CB C 13 40.683 0.3 . 1 . . . . . 417 ASP CB . 51423 1 893 . 1 . 1 188 188 ASP N N 15 120.963 0.3 . 1 . . . . . 417 ASP N . 51423 1 894 . 1 . 1 189 189 ALA H H 1 8.538 0.02 . 1 . . . . . 418 ALA H . 51423 1 895 . 1 . 1 189 189 ALA C C 13 176.27 0.3 . 1 . . . . . 418 ALA C . 51423 1 896 . 1 . 1 189 189 ALA CA C 13 50.957 0.3 . 1 . . . . . 418 ALA CA . 51423 1 897 . 1 . 1 189 189 ALA CB C 13 21.466 0.3 . 1 . . . . . 418 ALA CB . 51423 1 898 . 1 . 1 189 189 ALA N N 15 123.041 0.3 . 1 . . . . . 418 ALA N . 51423 1 899 . 1 . 1 190 190 TYR H H 1 8.042 0.02 . 1 . . . . . 419 TYR H . 51423 1 900 . 1 . 1 190 190 TYR C C 13 179.225 0.3 . 1 . . . . . 419 TYR C . 51423 1 901 . 1 . 1 190 190 TYR CA C 13 57.881 0.3 . 1 . . . . . 419 TYR CA . 51423 1 902 . 1 . 1 190 190 TYR CB C 13 38.173 0.3 . 1 . . . . . 419 TYR CB . 51423 1 903 . 1 . 1 190 190 TYR N N 15 119.627 0.3 . 1 . . . . . 419 TYR N . 51423 1 904 . 1 . 1 191 191 SER H H 1 9.071 0.02 . 1 . . . . . 420 SER H . 51423 1 905 . 1 . 1 191 191 SER C C 13 173.645 0.3 . 1 . . . . . 420 SER C . 51423 1 906 . 1 . 1 191 191 SER CA C 13 61.524 0.3 . 1 . . . . . 420 SER CA . 51423 1 907 . 1 . 1 191 191 SER CB C 13 63.35 0.3 . 1 . . . . . 420 SER CB . 51423 1 908 . 1 . 1 191 191 SER N N 15 113.54 0.3 . 1 . . . . . 420 SER N . 51423 1 909 . 1 . 1 192 192 THR H H 1 7.198 0.02 . 1 . . . . . 421 THR H . 51423 1 910 . 1 . 1 192 192 THR C C 13 174.114 0.3 . 1 . . . . . 421 THR C . 51423 1 911 . 1 . 1 192 192 THR CA C 13 59.309 0.3 . 1 . . . . . 421 THR CA . 51423 1 912 . 1 . 1 192 192 THR CB C 13 66.879 0.3 . 1 . . . . . 421 THR CB . 51423 1 913 . 1 . 1 192 192 THR N N 15 106.711 0.3 . 1 . . . . . 421 THR N . 51423 1 914 . 1 . 1 193 193 ASP H H 1 7.406 0.02 . 1 . . . . . 422 ASP H . 51423 1 915 . 1 . 1 193 193 ASP C C 13 178.857 0.3 . 1 . . . . . 422 ASP C . 51423 1 916 . 1 . 1 193 193 ASP CA C 13 55.452 0.3 . 1 . . . . . 422 ASP CA . 51423 1 917 . 1 . 1 193 193 ASP CB C 13 40.526 0.3 . 1 . . . . . 422 ASP CB . 51423 1 918 . 1 . 1 193 193 ASP N N 15 123.338 0.3 . 1 . . . . . 422 ASP N . 51423 1 919 . 1 . 1 194 194 ALA H H 1 9.026 0.02 . 1 . . . . . 423 ALA H . 51423 1 920 . 1 . 1 194 194 ALA C C 13 180 0.3 . 1 . . . . . 423 ALA C . 51423 1 921 . 1 . 1 194 194 ALA CA C 13 54.309 0.3 . 1 . . . . . 423 ALA CA . 51423 1 922 . 1 . 1 194 194 ALA CB C 13 18.329 0.3 . 1 . . . . . 423 ALA CB . 51423 1 923 . 1 . 1 194 194 ALA N N 15 129.573 0.3 . 1 . . . . . 423 ALA N . 51423 1 924 . 1 . 1 195 195 GLU H H 1 9.285 0.02 . 1 . . . . . 424 GLU H . 51423 1 925 . 1 . 1 195 195 GLU C C 13 178.21 0.3 . 1 . . . . . 424 GLU C . 51423 1 926 . 1 . 1 195 195 GLU CA C 13 59.024 0.3 . 1 . . . . . 424 GLU CA . 51423 1 927 . 1 . 1 195 195 GLU CB C 13 27.741 0.3 . 1 . . . . . 424 GLU CB . 51423 1 928 . 1 . 1 195 195 GLU N N 15 115.767 0.3 . 1 . . . . . 424 GLU N . 51423 1 929 . 1 . 1 196 196 LEU H H 1 7.544 0.02 . 1 . . . . . 425 LEU H . 51423 1 930 . 1 . 1 196 196 LEU C C 13 178.841 0.3 . 1 . . . . . 425 LEU C . 51423 1 931 . 1 . 1 196 196 LEU CA C 13 57.809 0.3 . 1 . . . . . 425 LEU CA . 51423 1 932 . 1 . 1 196 196 LEU CB C 13 40.055 0.3 . 1 . . . . . 425 LEU CB . 51423 1 933 . 1 . 1 196 196 LEU N N 15 116.676 0.3 . 1 . . . . . 425 LEU N . 51423 1 934 . 1 . 1 197 197 GLU H H 1 6.747 0.02 . 1 . . . . . 426 GLU H . 51423 1 935 . 1 . 1 197 197 GLU C C 13 179.135 0.3 . 1 . . . . . 426 GLU C . 51423 1 936 . 1 . 1 197 197 GLU CA C 13 56.488 0.3 . 1 . . . . . 426 GLU CA . 51423 1 937 . 1 . 1 197 197 GLU CB C 13 28.055 0.3 . 1 . . . . . 426 GLU CB . 51423 1 938 . 1 . 1 197 197 GLU N N 15 116.361 0.3 . 1 . . . . . 426 GLU N . 51423 1 939 . 1 . 1 198 198 ARG H H 1 7.303 0.02 . 1 . . . . . 427 ARG H . 51423 1 940 . 1 . 1 198 198 ARG C C 13 177.244 0.3 . 1 . . . . . 427 ARG C . 51423 1 941 . 1 . 1 198 198 ARG CA C 13 58.345 0.3 . 1 . . . . . 427 ARG CA . 51423 1 942 . 1 . 1 198 198 ARG CB C 13 30.016 0.3 . 1 . . . . . 427 ARG CB . 51423 1 943 . 1 . 1 198 198 ARG N N 15 119.924 0.3 . 1 . . . . . 427 ARG N . 51423 1 944 . 1 . 1 199 199 TYR H H 1 7.435 0.02 . 1 . . . . . 428 TYR H . 51423 1 945 . 1 . 1 199 199 TYR C C 13 173.7 0.3 . 1 . . . . . 428 TYR C . 51423 1 946 . 1 . 1 199 199 TYR CA C 13 57.131 0.3 . 1 . . . . . 428 TYR CA . 51423 1 947 . 1 . 1 199 199 TYR CB C 13 36.526 0.3 . 1 . . . . . 428 TYR CB . 51423 1 948 . 1 . 1 199 199 TYR N N 15 112.649 0.3 . 1 . . . . . 428 TYR N . 51423 1 949 . 1 . 1 200 200 ASP H H 1 7.42 0.02 . 1 . . . . . 429 ASP H . 51423 1 950 . 1 . 1 200 200 ASP C C 13 174.51 0.3 . 1 . . . . . 429 ASP C . 51423 1 951 . 1 . 1 200 200 ASP CA C 13 54.988 0.3 . 1 . . . . . 429 ASP CA . 51423 1 952 . 1 . 1 200 200 ASP CB C 13 39.192 0.3 . 1 . . . . . 429 ASP CB . 51423 1 953 . 1 . 1 200 200 ASP N N 15 120.518 0.3 . 1 . . . . . 429 ASP N . 51423 1 954 . 1 . 1 201 201 LEU H H 1 8.634 0.02 . 1 . . . . . 430 LEU H . 51423 1 955 . 1 . 1 201 201 LEU C C 13 175.103 0.3 . 1 . . . . . 430 LEU C . 51423 1 956 . 1 . 1 201 201 LEU CA C 13 53.202 0.3 . 1 . . . . . 430 LEU CA . 51423 1 957 . 1 . 1 201 201 LEU CB C 13 43.192 0.3 . 1 . . . . . 430 LEU CB . 51423 1 958 . 1 . 1 201 201 LEU N N 15 117.252 0.3 . 1 . . . . . 430 LEU N . 51423 1 959 . 1 . 1 202 202 GLN H H 1 9.33 0.02 . 1 . . . . . 431 GLN H . 51423 1 960 . 1 . 1 202 202 GLN C C 13 174.67 0.3 . 1 . . . . . 431 GLN C . 51423 1 961 . 1 . 1 202 202 GLN CA C 13 53.274 0.3 . 1 . . . . . 431 GLN CA . 51423 1 962 . 1 . 1 202 202 GLN CB C 13 31.663 0.3 . 1 . . . . . 431 GLN CB . 51423 1 963 . 1 . 1 202 202 GLN N N 15 121.408 0.3 . 1 . . . . . 431 GLN N . 51423 1 964 . 1 . 1 203 203 VAL H H 1 8.516 0.02 . 1 . . . . . 432 VAL H . 51423 1 965 . 1 . 1 203 203 VAL C C 13 177.318 0.3 . 1 . . . . . 432 VAL C . 51423 1 966 . 1 . 1 203 203 VAL CA C 13 61.845 0.3 . 1 . . . . . 432 VAL CA . 51423 1 967 . 1 . 1 203 203 VAL CB C 13 31.595 0.3 . 1 . . . . . 432 VAL CB . 51423 1 968 . 1 . 1 203 203 VAL N N 15 124.674 0.3 . 1 . . . . . 432 VAL N . 51423 1 969 . 1 . 1 204 204 LEU H H 1 8.612 0.02 . 1 . . . . . 433 LEU H . 51423 1 970 . 1 . 1 204 204 LEU C C 13 175.765 0.3 . 1 . . . . . 433 LEU C . 51423 1 971 . 1 . 1 204 204 LEU CA C 13 52.952 0.3 . 1 . . . . . 433 LEU CA . 51423 1 972 . 1 . 1 204 204 LEU CB C 13 41.31 0.3 . 1 . . . . . 433 LEU CB . 51423 1 973 . 1 . 1 204 204 LEU N N 15 128.386 0.3 . 1 . . . . . 433 LEU N . 51423 1 974 . 1 . 1 205 205 GLU H H 1 8.523 0.02 . 1 . . . . . 434 GLU H . 51423 1 975 . 1 . 1 205 205 GLU C C 13 176.173 0.3 . 1 . . . . . 434 GLU C . 51423 1 976 . 1 . 1 205 205 GLU CA C 13 56.702 0.3 . 1 . . . . . 434 GLU CA . 51423 1 977 . 1 . 1 205 205 GLU CB C 13 29.624 0.3 . 1 . . . . . 434 GLU CB . 51423 1 978 . 1 . 1 205 205 GLU N N 15 122.299 0.3 . 1 . . . . . 434 GLU N . 51423 1 979 . 1 . 1 206 206 ASP H H 1 8.797 0.02 . 1 . . . . . 435 ASP H . 51423 1 980 . 1 . 1 206 206 ASP C C 13 177.036 0.3 . 1 . . . . . 435 ASP C . 51423 1 981 . 1 . 1 206 206 ASP CA C 13 51.631 0.3 . 1 . . . . . 435 ASP CA . 51423 1 982 . 1 . 1 206 206 ASP CB C 13 39.271 0.3 . 1 . . . . . 435 ASP CB . 51423 1 983 . 1 . 1 206 206 ASP N N 15 126.753 0.3 . 1 . . . . . 435 ASP N . 51423 1 984 . 1 . 1 207 207 ASP H H 1 9.648 0.02 . 1 . . . . . 436 ASP H . 51423 1 985 . 1 . 1 207 207 ASP C C 13 177.616 0.3 . 1 . . . . . 436 ASP C . 51423 1 986 . 1 . 1 207 207 ASP CA C 13 56.202 0.3 . 1 . . . . . 436 ASP CA . 51423 1 987 . 1 . 1 207 207 ASP CB C 13 39.192 0.3 . 1 . . . . . 436 ASP CB . 51423 1 988 . 1 . 1 207 207 ASP N N 15 125.417 0.3 . 1 . . . . . 436 ASP N . 51423 1 989 . 1 . 1 208 208 LYS H H 1 8.671 0.02 . 1 . . . . . 437 LYS H . 51423 1 990 . 1 . 1 208 208 LYS C C 13 174.289 0.3 . 1 . . . . . 437 LYS C . 51423 1 991 . 1 . 1 208 208 LYS CA C 13 55.167 0.3 . 1 . . . . . 437 LYS CA . 51423 1 992 . 1 . 1 208 208 LYS CB C 13 30.408 0.3 . 1 . . . . . 437 LYS CB . 51423 1 993 . 1 . 1 208 208 LYS N N 15 118.142 0.3 . 1 . . . . . 437 LYS N . 51423 1 994 . 1 . 1 209 209 GLN H H 1 7.612 0.02 . 1 . . . . . 438 GLN H . 51423 1 995 . 1 . 1 209 209 GLN C C 13 176.134 0.3 . 1 . . . . . 438 GLN C . 51423 1 996 . 1 . 1 209 209 GLN CA C 13 56.452 0.3 . 1 . . . . . 438 GLN CA . 51423 1 997 . 1 . 1 209 209 GLN CB C 13 24.604 0.3 . 1 . . . . . 438 GLN CB . 51423 1 998 . 1 . 1 209 209 GLN N N 15 116.485 0.3 . 1 . . . . . 438 GLN N . 51423 1 999 . 1 . 1 210 210 LEU H H 1 10.107 0.02 . 1 . . . . . 439 LEU H . 51423 1 1000 . 1 . 1 210 210 LEU C C 13 177.867 0.3 . 1 . . . . . 439 LEU C . 51423 1 1001 . 1 . 1 210 210 LEU CA C 13 57.238 0.3 . 1 . . . . . 439 LEU CA . 51423 1 1002 . 1 . 1 210 210 LEU CB C 13 42.722 0.3 . 1 . . . . . 439 LEU CB . 51423 1 1003 . 1 . 1 210 210 LEU N N 15 126.604 0.3 . 1 . . . . . 439 LEU N . 51423 1 1004 . 1 . 1 211 211 PHE H H 1 9.493 0.02 . 1 . . . . . 440 PHE H . 51423 1 1005 . 1 . 1 211 211 PHE C C 13 174.425 0.3 . 1 . . . . . 440 PHE C . 51423 1 1006 . 1 . 1 211 211 PHE CA C 13 53.559 0.3 . 1 . . . . . 440 PHE CA . 51423 1 1007 . 1 . 1 211 211 PHE CB C 13 36.29 0.3 . 1 . . . . . 440 PHE CB . 51423 1 1008 . 1 . 1 211 211 PHE N N 15 119.924 0.3 . 1 . . . . . 440 PHE N . 51423 1 1009 . 1 . 1 213 213 PRO C C 13 176.161 0.3 . 1 . . . . . 442 PRO C . 51423 1 1010 . 1 . 1 213 213 PRO CA C 13 62.33 0.3 . 1 . . . . . 442 PRO CA . 51423 1 1011 . 1 . 1 213 213 PRO CB C 13 31.506 0.3 . 1 . . . . . 442 PRO CB . 51423 1 1012 . 1 . 1 214 214 TYR H H 1 7.229 0.02 . 1 . . . . . 443 TYR H . 51423 1 1013 . 1 . 1 214 214 TYR C C 13 174.289 0.3 . 1 . . . . . 443 TYR C . 51423 1 1014 . 1 . 1 214 214 TYR CA C 13 58.024 0.3 . 1 . . . . . 443 TYR CA . 51423 1 1015 . 1 . 1 214 214 TYR CB C 13 40.133 0.3 . 1 . . . . . 443 TYR CB . 51423 1 1016 . 1 . 1 214 214 TYR N N 15 117.537 0.3 . 1 . . . . . 443 TYR N . 51423 1 1017 . 1 . 1 215 215 GLN H H 1 8.327 0.02 . 1 . . . . . 444 GLN H . 51423 1 1018 . 1 . 1 215 215 GLN C C 13 175.52 0.3 . 1 . . . . . 444 GLN C . 51423 1 1019 . 1 . 1 215 215 GLN CA C 13 53.381 0.3 . 1 . . . . . 444 GLN CA . 51423 1 1020 . 1 . 1 215 215 GLN CB C 13 33.31 0.3 . 1 . . . . . 444 GLN CB . 51423 1 1021 . 1 . 1 215 215 GLN N N 15 122.38 0.3 . 1 . . . . . 444 GLN N . 51423 1 1022 . 1 . 1 216 216 GLY H H 1 9.848 0.02 . 1 . . . . . 445 GLY H . 51423 1 1023 . 1 . 1 216 216 GLY C C 13 171.02 0.3 . 1 . . . . . 445 GLY C . 51423 1 1024 . 1 . 1 216 216 GLY CA C 13 43.202 0.3 . 1 . . . . . 445 GLY CA . 51423 1 1025 . 1 . 1 216 216 GLY N N 15 114.431 0.3 . 1 . . . . . 445 GLY N . 51423 1 1026 . 1 . 1 217 217 ALA H H 1 8.331 0.02 . 1 . . . . . 446 ALA H . 51423 1 1027 . 1 . 1 217 217 ALA C C 13 173.538 0.3 . 1 . . . . . 446 ALA C . 51423 1 1028 . 1 . 1 217 217 ALA CA C 13 49.559 0.3 . 1 . . . . . 446 ALA CA . 51423 1 1029 . 1 . 1 217 217 ALA CB C 13 20.839 0.3 . 1 . . . . . 446 ALA CB . 51423 1 1030 . 1 . 1 217 217 ALA N N 15 123.635 0.3 . 1 . . . . . 446 ALA N . 51423 1 1031 . 1 . 1 218 218 PRO C C 13 174.63 0.3 . 1 . . . . . 447 PRO C . 51423 1 1032 . 1 . 1 218 218 PRO CA C 13 62.487 0.3 . 1 . . . . . 447 PRO CA . 51423 1 1033 . 1 . 1 218 218 PRO CB C 13 30.565 0.3 . 1 . . . . . 447 PRO CB . 51423 1 1034 . 1 . 1 219 219 LEU H H 1 8.53 0.02 . 1 . . . . . 448 LEU H . 51423 1 1035 . 1 . 1 219 219 LEU C C 13 174.149 0.3 . 1 . . . . . 448 LEU C . 51423 1 1036 . 1 . 1 219 219 LEU CA C 13 53.024 0.3 . 1 . . . . . 448 LEU CA . 51423 1 1037 . 1 . 1 219 219 LEU CB C 13 44.134 0.3 . 1 . . . . . 448 LEU CB . 51423 1 1038 . 1 . 1 219 219 LEU N N 15 126.901 0.3 . 1 . . . . . 448 LEU N . 51423 1 1039 . 1 . 1 220 220 MET H H 1 8.227 0.02 . 1 . . . . . 449 MET H . 51423 1 1040 . 1 . 1 220 220 MET C C 13 174.673 0.3 . 1 . . . . . 449 MET C . 51423 1 1041 . 1 . 1 220 220 MET CA C 13 53.738 0.3 . 1 . . . . . 449 MET CA . 51423 1 1042 . 1 . 1 220 220 MET CB C 13 36.604 0.3 . 1 . . . . . 449 MET CB . 51423 1 1043 . 1 . 1 220 220 MET N N 15 118.291 0.3 . 1 . . . . . 449 MET N . 51423 1 1044 . 1 . 1 221 221 LYS H H 1 9.974 0.02 . 1 . . . . . 450 LYS H . 51423 1 1045 . 1 . 1 221 221 LYS C C 13 178.659 0.3 . 1 . . . . . 450 LYS C . 51423 1 1046 . 1 . 1 221 221 LYS CA C 13 58.167 0.3 . 1 . . . . . 450 LYS CA . 51423 1 1047 . 1 . 1 221 221 LYS CB C 13 31.192 0.3 . 1 . . . . . 450 LYS CB . 51423 1 1048 . 1 . 1 221 221 LYS N N 15 121.26 0.3 . 1 . . . . . 450 LYS N . 51423 1 1049 . 1 . 1 222 222 GLU H H 1 8.639 0.02 . 1 . . . . . 451 GLU H . 51423 1 1050 . 1 . 1 222 222 GLU C C 13 179.202 0.3 . 1 . . . . . 451 GLU C . 51423 1 1051 . 1 . 1 222 222 GLU CA C 13 59.488 0.3 . 1 . . . . . 451 GLU CA . 51423 1 1052 . 1 . 1 222 222 GLU CB C 13 28.682 0.3 . 1 . . . . . 451 GLU CB . 51423 1 1053 . 1 . 1 222 222 GLU N N 15 123.928 0.3 . 1 . . . . . 451 GLU N . 51423 1 1054 . 1 . 1 223 223 ALA H H 1 8.514 0.02 . 1 . . . . . 452 ALA H . 51423 1 1055 . 1 . 1 223 223 ALA C C 13 179.939 0.3 . 1 . . . . . 452 ALA C . 51423 1 1056 . 1 . 1 223 223 ALA CA C 13 54.452 0.3 . 1 . . . . . 452 ALA CA . 51423 1 1057 . 1 . 1 223 223 ALA CB C 13 18.094 0.3 . 1 . . . . . 452 ALA CB . 51423 1 1058 . 1 . 1 223 223 ALA N N 15 118.579 0.3 . 1 . . . . . 452 ALA N . 51423 1 1059 . 1 . 1 224 224 LEU H H 1 7.158 0.02 . 1 . . . . . 453 LEU H . 51423 1 1060 . 1 . 1 224 224 LEU C C 13 178.218 0.3 . 1 . . . . . 453 LEU C . 51423 1 1061 . 1 . 1 224 224 LEU CA C 13 57.202 0.3 . 1 . . . . . 453 LEU CA . 51423 1 1062 . 1 . 1 224 224 LEU CB C 13 39.82 0.3 . 1 . . . . . 453 LEU CB . 51423 1 1063 . 1 . 1 224 224 LEU N N 15 119.761 0.3 . 1 . . . . . 453 LEU N . 51423 1 1064 . 1 . 1 225 225 LEU H H 1 6.717 0.02 . 1 . . . . . 454 LEU H . 51423 1 1065 . 1 . 1 225 225 LEU C C 13 178.406 0.3 . 1 . . . . . 454 LEU C . 51423 1 1066 . 1 . 1 225 225 LEU CA C 13 55.631 0.3 . 1 . . . . . 454 LEU CA . 51423 1 1067 . 1 . 1 225 225 LEU CB C 13 40.526 0.3 . 1 . . . . . 454 LEU CB . 51423 1 1068 . 1 . 1 225 225 LEU N N 15 118.736 0.3 . 1 . . . . . 454 LEU N . 51423 1 1069 . 1 . 1 226 226 LYS H H 1 7.628 0.02 . 1 . . . . . 455 LYS H . 51423 1 1070 . 1 . 1 226 226 LYS C C 13 178.571 0.3 . 1 . . . . . 455 LYS C . 51423 1 1071 . 1 . 1 226 226 LYS CA C 13 57.702 0.3 . 1 . . . . . 455 LYS CA . 51423 1 1072 . 1 . 1 226 226 LYS CB C 13 30.957 0.3 . 1 . . . . . 455 LYS CB . 51423 1 1073 . 1 . 1 226 226 LYS N N 15 116.658 0.3 . 1 . . . . . 455 LYS N . 51423 1 1074 . 1 . 1 227 227 LYS H H 1 7.109 0.02 . 1 . . . . . 456 LYS H . 51423 1 1075 . 1 . 1 227 227 LYS C C 13 176.532 0.3 . 1 . . . . . 456 LYS C . 51423 1 1076 . 1 . 1 227 227 LYS CA C 13 57.702 0.3 . 1 . . . . . 456 LYS CA . 51423 1 1077 . 1 . 1 227 227 LYS CB C 13 32.761 0.3 . 1 . . . . . 456 LYS CB . 51423 1 1078 . 1 . 1 227 227 LYS N N 15 118.439 0.3 . 1 . . . . . 456 LYS N . 51423 1 1079 . 1 . 1 228 228 HIS H H 1 7.998 0.02 . 1 . . . . . 457 HIS H . 51423 1 1080 . 1 . 1 228 228 HIS C C 13 171.919 0.3 . 1 . . . . . 457 HIS C . 51423 1 1081 . 1 . 1 228 228 HIS CA C 13 52.488 0.3 . 1 . . . . . 457 HIS CA . 51423 1 1082 . 1 . 1 228 228 HIS CB C 13 28.447 0.3 . 1 . . . . . 457 HIS CB . 51423 1 1083 . 1 . 1 228 228 HIS N N 15 115.025 0.3 . 1 . . . . . 457 HIS N . 51423 1 1084 . 1 . 1 229 229 PRO C C 13 180.106 0.3 . 1 . . . . . 458 PRO C . 51423 1 1085 . 1 . 1 229 229 PRO CA C 13 64.448 0.3 . 1 . . . . . 458 PRO CA . 51423 1 1086 . 1 . 1 229 229 PRO CB C 13 30.878 0.3 . 1 . . . . . 458 PRO CB . 51423 1 1087 . 1 . 1 230 230 GLU H H 1 10.647 0.02 . 1 . . . . . 459 GLU H . 51423 1 1088 . 1 . 1 230 230 GLU C C 13 176.637 0.3 . 1 . . . . . 459 GLU C . 51423 1 1089 . 1 . 1 230 230 GLU CA C 13 57.774 0.3 . 1 . . . . . 459 GLU CA . 51423 1 1090 . 1 . 1 230 230 GLU CB C 13 26.721 0.3 . 1 . . . . . 459 GLU CB . 51423 1 1091 . 1 . 1 230 230 GLU N N 15 122.151 0.3 . 1 . . . . . 459 GLU N . 51423 1 1092 . 1 . 1 231 231 LEU H H 1 8.101 0.02 . 1 . . . . . 460 LEU H . 51423 1 1093 . 1 . 1 231 231 LEU C C 13 177.835 0.3 . 1 . . . . . 460 LEU C . 51423 1 1094 . 1 . 1 231 231 LEU CA C 13 57.024 0.3 . 1 . . . . . 460 LEU CA . 51423 1 1095 . 1 . 1 231 231 LEU CB C 13 41.545 0.3 . 1 . . . . . 460 LEU CB . 51423 1 1096 . 1 . 1 231 231 LEU N N 15 119.775 0.3 . 1 . . . . . 460 LEU N . 51423 1 1097 . 1 . 1 232 232 GLU H H 1 7.169 0.02 . 1 . . . . . 461 GLU H . 51423 1 1098 . 1 . 1 232 232 GLU C C 13 176.323 0.3 . 1 . . . . . 461 GLU C . 51423 1 1099 . 1 . 1 232 232 GLU CA C 13 59.024 0.3 . 1 . . . . . 461 GLU CA . 51423 1 1100 . 1 . 1 232 232 GLU CB C 13 29.074 0.3 . 1 . . . . . 461 GLU CB . 51423 1 1101 . 1 . 1 232 232 GLU N N 15 118.588 0.3 . 1 . . . . . 461 GLU N . 51423 1 1102 . 1 . 1 233 233 ARG H H 1 7.443 0.02 . 1 . . . . . 462 ARG H . 51423 1 1103 . 1 . 1 233 233 ARG C C 13 178.951 0.3 . 1 . . . . . 462 ARG C . 51423 1 1104 . 1 . 1 233 233 ARG CA C 13 58.274 0.3 . 1 . . . . . 462 ARG CA . 51423 1 1105 . 1 . 1 233 233 ARG CB C 13 28.682 0.3 . 1 . . . . . 462 ARG CB . 51423 1 1106 . 1 . 1 233 233 ARG N N 15 117.252 0.3 . 1 . . . . . 462 ARG N . 51423 1 1107 . 1 . 1 234 234 VAL H H 1 7.549 0.02 . 1 . . . . . 463 VAL H . 51423 1 1108 . 1 . 1 234 234 VAL C C 13 178.864 0.3 . 1 . . . . . 463 VAL C . 51423 1 1109 . 1 . 1 234 234 VAL CA C 13 65.524 0.3 . 1 . . . . . 463 VAL CA . 51423 1 1110 . 1 . 1 234 234 VAL CB C 13 31.349 0.3 . 1 . . . . . 463 VAL CB . 51423 1 1111 . 1 . 1 234 234 VAL N N 15 116.806 0.3 . 1 . . . . . 463 VAL N . 51423 1 1112 . 1 . 1 235 235 LEU H H 1 8.16 0.02 . 1 . . . . . 464 LEU H . 51423 1 1113 . 1 . 1 235 235 LEU C C 13 178.95 0.3 . 1 . . . . . 464 LEU C . 51423 1 1114 . 1 . 1 235 235 LEU CA C 13 56.988 0.3 . 1 . . . . . 464 LEU CA . 51423 1 1115 . 1 . 1 235 235 LEU CB C 13 38.957 0.3 . 1 . . . . . 464 LEU CB . 51423 1 1116 . 1 . 1 235 235 LEU N N 15 118.885 0.3 . 1 . . . . . 464 LEU N . 51423 1 1117 . 1 . 1 236 236 ASN H H 1 8.035 0.02 . 1 . . . . . 465 ASN H . 51423 1 1118 . 1 . 1 236 236 ASN C C 13 177.521 0.3 . 1 . . . . . 465 ASN C . 51423 1 1119 . 1 . 1 236 236 ASN CA C 13 53.738 0.3 . 1 . . . . . 465 ASN CA . 51423 1 1120 . 1 . 1 236 236 ASN CB C 13 36.212 0.3 . 1 . . . . . 465 ASN CB . 51423 1 1121 . 1 . 1 236 236 ASN N N 15 116.361 0.3 . 1 . . . . . 465 ASN N . 51423 1 1122 . 1 . 1 237 237 THR H H 1 7.398 0.02 . 1 . . . . . 466 THR H . 51423 1 1123 . 1 . 1 237 237 THR C C 13 175.201 0.3 . 1 . . . . . 466 THR C . 51423 1 1124 . 1 . 1 237 237 THR CA C 13 65.881 0.3 . 1 . . . . . 466 THR CA . 51423 1 1125 . 1 . 1 237 237 THR CB C 13 68.605 0.3 . 1 . . . . . 466 THR CB . 51423 1 1126 . 1 . 1 237 237 THR N N 15 118.291 0.3 . 1 . . . . . 466 THR N . 51423 1 1127 . 1 . 1 238 238 LEU H H 1 6.961 0.02 . 1 . . . . . 467 LEU H . 51423 1 1128 . 1 . 1 238 238 LEU C C 13 175.966 0.3 . 1 . . . . . 467 LEU C . 51423 1 1129 . 1 . 1 238 238 LEU CA C 13 54.167 0.3 . 1 . . . . . 467 LEU CA . 51423 1 1130 . 1 . 1 238 238 LEU CB C 13 41.388 0.3 . 1 . . . . . 467 LEU CB . 51423 1 1131 . 1 . 1 238 238 LEU N N 15 116.778 0.3 . 1 . . . . . 467 LEU N . 51423 1 1132 . 1 . 1 239 239 ALA H H 1 7.206 0.02 . 1 . . . . . 468 ALA H . 51423 1 1133 . 1 . 1 239 239 ALA C C 13 179.932 0.3 . 1 . . . . . 468 ALA C . 51423 1 1134 . 1 . 1 239 239 ALA CA C 13 52.202 0.3 . 1 . . . . . 468 ALA CA . 51423 1 1135 . 1 . 1 239 239 ALA CB C 13 18.329 0.3 . 1 . . . . . 468 ALA CB . 51423 1 1136 . 1 . 1 239 239 ALA N N 15 120.666 0.3 . 1 . . . . . 468 ALA N . 51423 1 1137 . 1 . 1 240 240 GLY H H 1 8.915 0.02 . 1 . . . . . 469 GLY H . 51423 1 1138 . 1 . 1 240 240 GLY C C 13 173.282 0.3 . 1 . . . . . 469 GLY C . 51423 1 1139 . 1 . 1 240 240 GLY CA C 13 45.774 0.3 . 1 . . . . . 469 GLY CA . 51423 1 1140 . 1 . 1 240 240 GLY N N 15 109.68 0.3 . 1 . . . . . 469 GLY N . 51423 1 1141 . 1 . 1 241 241 LYS H H 1 7.768 0.02 . 1 . . . . . 470 LYS H . 51423 1 1142 . 1 . 1 241 241 LYS C C 13 175.171 0.3 . 1 . . . . . 470 LYS C . 51423 1 1143 . 1 . 1 241 241 LYS CA C 13 53.952 0.3 . 1 . . . . . 470 LYS CA . 51423 1 1144 . 1 . 1 241 241 LYS CB C 13 34.251 0.3 . 1 . . . . . 470 LYS CB . 51423 1 1145 . 1 . 1 241 241 LYS N N 15 119.627 0.3 . 1 . . . . . 470 LYS N . 51423 1 1146 . 1 . 1 242 242 ILE H H 1 8.331 0.02 . 1 . . . . . 471 ILE H . 51423 1 1147 . 1 . 1 242 242 ILE C C 13 175.286 0.3 . 1 . . . . . 471 ILE C . 51423 1 1148 . 1 . 1 242 242 ILE CA C 13 65.274 0.3 . 1 . . . . . 471 ILE CA . 51423 1 1149 . 1 . 1 242 242 ILE CB C 13 33.545 0.3 . 1 . . . . . 471 ILE CB . 51423 1 1150 . 1 . 1 242 242 ILE N N 15 112.946 0.3 . 1 . . . . . 471 ILE N . 51423 1 1151 . 1 . 1 243 243 THR H H 1 8.368 0.02 . 1 . . . . . 472 THR H . 51423 1 1152 . 1 . 1 243 243 THR C C 13 175.561 0.3 . 1 . . . . . 472 THR C . 51423 1 1153 . 1 . 1 243 243 THR CA C 13 60.131 0.3 . 1 . . . . . 472 THR CA . 51423 1 1154 . 1 . 1 243 243 THR CB C 13 71.036 0.3 . 1 . . . . . 472 THR CB . 51423 1 1155 . 1 . 1 243 243 THR N N 15 117.102 0.3 . 1 . . . . . 472 THR N . 51423 1 1156 . 1 . 1 244 244 GLU H H 1 9.855 0.02 . 1 . . . . . 473 GLU H . 51423 1 1157 . 1 . 1 244 244 GLU C C 13 178.538 0.3 . 1 . . . . . 473 GLU C . 51423 1 1158 . 1 . 1 244 244 GLU CA C 13 61.702 0.3 . 1 . . . . . 473 GLU CA . 51423 1 1159 . 1 . 1 244 244 GLU CB C 13 27.035 0.3 . 1 . . . . . 473 GLU CB . 51423 1 1160 . 1 . 1 244 244 GLU N N 15 121.854 0.3 . 1 . . . . . 473 GLU N . 51423 1 1161 . 1 . 1 245 245 SER H H 1 8.183 0.02 . 1 . . . . . 474 SER H . 51423 1 1162 . 1 . 1 245 245 SER C C 13 177.771 0.3 . 1 . . . . . 474 SER C . 51423 1 1163 . 1 . 1 245 245 SER CA C 13 60.238 0.3 . 1 . . . . . 474 SER CA . 51423 1 1164 . 1 . 1 245 245 SER CB C 13 61.914 0.3 . 1 . . . . . 474 SER CB . 51423 1 1165 . 1 . 1 245 245 SER N N 15 112.501 0.3 . 1 . . . . . 474 SER N . 51423 1 1166 . 1 . 1 246 246 GLN H H 1 7.42 0.02 . 1 . . . . . 475 GLN H . 51423 1 1167 . 1 . 1 246 246 GLN C C 13 178.41 0.3 . 1 . . . . . 475 GLN C . 51423 1 1168 . 1 . 1 246 246 GLN CA C 13 58.167 0.3 . 1 . . . . . 475 GLN CA . 51423 1 1169 . 1 . 1 246 246 GLN CB C 13 27.114 0.3 . 1 . . . . . 475 GLN CB . 51423 1 1170 . 1 . 1 246 246 GLN N N 15 121.557 0.3 . 1 . . . . . 475 GLN N . 51423 1 1171 . 1 . 1 247 247 MET H H 1 7.939 0.02 . 1 . . . . . 476 MET H . 51423 1 1172 . 1 . 1 247 247 MET C C 13 177.819 0.3 . 1 . . . . . 476 MET C . 51423 1 1173 . 1 . 1 247 247 MET CA C 13 55.917 0.3 . 1 . . . . . 476 MET CA . 51423 1 1174 . 1 . 1 247 247 MET CB C 13 29.78 0.3 . 1 . . . . . 476 MET CB . 51423 1 1175 . 1 . 1 247 247 MET N N 15 118.862 0.3 . 1 . . . . . 476 MET N . 51423 1 1176 . 1 . 1 248 248 SER H H 1 8.516 0.02 . 1 . . . . . 477 SER H . 51423 1 1177 . 1 . 1 248 248 SER C C 13 177.095 0.3 . 1 . . . . . 477 SER C . 51423 1 1178 . 1 . 1 248 248 SER CA C 13 61.368 0.3 . 1 . . . . . 477 SER CA . 51423 1 1179 . 1 . 1 248 248 SER CB C 13 62.095 0.3 . 1 . . . . . 477 SER CB . 51423 1 1180 . 1 . 1 248 248 SER N N 15 115.173 0.3 . 1 . . . . . 477 SER N . 51423 1 1181 . 1 . 1 249 249 GLN H H 1 7.295 0.02 . 1 . . . . . 478 GLN H . 51423 1 1182 . 1 . 1 249 249 GLN C C 13 178.729 0.3 . 1 . . . . . 478 GLN C . 51423 1 1183 . 1 . 1 249 249 GLN CA C 13 59.238 0.3 . 1 . . . . . 478 GLN CA . 51423 1 1184 . 1 . 1 249 249 GLN CB C 13 27.506 0.3 . 1 . . . . . 478 GLN CB . 51423 1 1185 . 1 . 1 249 249 GLN N N 15 119.924 0.3 . 1 . . . . . 478 GLN N . 51423 1 1186 . 1 . 1 250 250 LEU H H 1 7.702 0.02 . 1 . . . . . 479 LEU H . 51423 1 1187 . 1 . 1 250 250 LEU C C 13 178.682 0.3 . 1 . . . . . 479 LEU C . 51423 1 1188 . 1 . 1 250 250 LEU CA C 13 58.024 0.3 . 1 . . . . . 479 LEU CA . 51423 1 1189 . 1 . 1 250 250 LEU CB C 13 39.035 0.3 . 1 . . . . . 479 LEU CB . 51423 1 1190 . 1 . 1 250 250 LEU N N 15 121.111 0.3 . 1 . . . . . 479 LEU N . 51423 1 1191 . 1 . 1 251 251 ASN H H 1 8.715 0.02 . 1 . . . . . 480 ASN H . 51423 1 1192 . 1 . 1 251 251 ASN C C 13 179.72 0.3 . 1 . . . . . 480 ASN C . 51423 1 1193 . 1 . 1 251 251 ASN CA C 13 55.667 0.3 . 1 . . . . . 480 ASN CA . 51423 1 1194 . 1 . 1 251 251 ASN CB C 13 36.996 0.3 . 1 . . . . . 480 ASN CB . 51423 1 1195 . 1 . 1 251 251 ASN N N 15 119.033 0.3 . 1 . . . . . 480 ASN N . 51423 1 1196 . 1 . 1 252 252 TYR H H 1 8.456 0.02 . 1 . . . . . 481 TYR H . 51423 1 1197 . 1 . 1 252 252 TYR C C 13 177.627 0.3 . 1 . . . . . 481 TYR C . 51423 1 1198 . 1 . 1 252 252 TYR CA C 13 61.738 0.3 . 1 . . . . . 481 TYR CA . 51423 1 1199 . 1 . 1 252 252 TYR CB C 13 37.388 0.3 . 1 . . . . . 481 TYR CB . 51423 1 1200 . 1 . 1 252 252 TYR N N 15 123.041 0.3 . 1 . . . . . 481 TYR N . 51423 1 1201 . 1 . 1 253 253 GLN H H 1 8.234 0.02 . 1 . . . . . 482 GLN H . 51423 1 1202 . 1 . 1 253 253 GLN C C 13 177.292 0.3 . 1 . . . . . 482 GLN C . 51423 1 1203 . 1 . 1 253 253 GLN CA C 13 59.238 0.3 . 1 . . . . . 482 GLN CA . 51423 1 1204 . 1 . 1 253 253 GLN CB C 13 29.153 0.3 . 1 . . . . . 482 GLN CB . 51423 1 1205 . 1 . 1 253 253 GLN N N 15 122.299 0.3 . 1 . . . . . 482 GLN N . 51423 1 1206 . 1 . 1 254 254 VAL H H 1 7.64 0.02 . 1 . . . . . 483 VAL H . 51423 1 1207 . 1 . 1 254 254 VAL C C 13 178.631 0.3 . 1 . . . . . 483 VAL C . 51423 1 1208 . 1 . 1 254 254 VAL CA C 13 63.952 0.3 . 1 . . . . . 483 VAL CA . 51423 1 1209 . 1 . 1 254 254 VAL CB C 13 32.447 0.3 . 1 . . . . . 483 VAL CB . 51423 1 1210 . 1 . 1 254 254 VAL N N 15 116.521 0.3 . 1 . . . . . 483 VAL N . 51423 1 1211 . 1 . 1 255 255 GLY H H 1 8.878 0.02 . 1 . . . . . 484 GLY H . 51423 1 1212 . 1 . 1 255 255 GLY C C 13 174.544 0.3 . 1 . . . . . 484 GLY C . 51423 1 1213 . 1 . 1 255 255 GLY CA C 13 45.738 0.3 . 1 . . . . . 484 GLY CA . 51423 1 1214 . 1 . 1 255 255 GLY N N 15 106.711 0.3 . 1 . . . . . 484 GLY N . 51423 1 1215 . 1 . 1 256 256 VAL H H 1 7.766 0.02 . 1 . . . . . 485 VAL H . 51423 1 1216 . 1 . 1 256 256 VAL C C 13 177.627 0.3 . 1 . . . . . 485 VAL C . 51423 1 1217 . 1 . 1 256 256 VAL CA C 13 63.631 0.3 . 1 . . . . . 485 VAL CA . 51423 1 1218 . 1 . 1 256 256 VAL CB C 13 30.016 0.3 . 1 . . . . . 485 VAL CB . 51423 1 1219 . 1 . 1 256 256 VAL N N 15 119.335 0.3 . 1 . . . . . 485 VAL N . 51423 1 1220 . 1 . 1 257 257 GLU H H 1 7.243 0.02 . 1 . . . . . 486 GLU H . 51423 1 1221 . 1 . 1 257 257 GLU C C 13 177.563 0.3 . 1 . . . . . 486 GLU C . 51423 1 1222 . 1 . 1 257 257 GLU CA C 13 57.202 0.3 . 1 . . . . . 486 GLU CA . 51423 1 1223 . 1 . 1 257 257 GLU CB C 13 28.761 0.3 . 1 . . . . . 486 GLU CB . 51423 1 1224 . 1 . 1 257 257 GLU N N 15 115.619 0.3 . 1 . . . . . 486 GLU N . 51423 1 1225 . 1 . 1 258 258 GLY H H 1 6.665 0.02 . 1 . . . . . 487 GLY H . 51423 1 1226 . 1 . 1 258 258 GLY C C 13 175.252 0.3 . 1 . . . . . 487 GLY C . 51423 1 1227 . 1 . 1 258 258 GLY CA C 13 45.881 0.3 . 1 . . . . . 487 GLY CA . 51423 1 1228 . 1 . 1 258 258 GLY N N 15 105.969 0.3 . 1 . . . . . 487 GLY N . 51423 1 1229 . 1 . 1 259 259 LYS H H 1 8.035 0.02 . 1 . . . . . 488 LYS H . 51423 1 1230 . 1 . 1 259 259 LYS C C 13 176.11 0.3 . 1 . . . . . 488 LYS C . 51423 1 1231 . 1 . 1 259 259 LYS CA C 13 55.881 0.3 . 1 . . . . . 488 LYS CA . 51423 1 1232 . 1 . 1 259 259 LYS CB C 13 32.918 0.3 . 1 . . . . . 488 LYS CB . 51423 1 1233 . 1 . 1 259 259 LYS N N 15 121.26 0.3 . 1 . . . . . 488 LYS N . 51423 1 1234 . 1 . 1 260 260 SER H H 1 8.294 0.02 . 1 . . . . . 489 SER H . 51423 1 1235 . 1 . 1 260 260 SER C C 13 175.618 0.3 . 1 . . . . . 489 SER C . 51423 1 1236 . 1 . 1 260 260 SER CA C 13 56.988 0.3 . 1 . . . . . 489 SER CA . 51423 1 1237 . 1 . 1 260 260 SER CB C 13 63.036 0.3 . 1 . . . . . 489 SER CB . 51423 1 1238 . 1 . 1 260 260 SER N N 15 115.767 0.3 . 1 . . . . . 489 SER N . 51423 1 1239 . 1 . 1 261 261 ALA H H 1 9.108 0.02 . 1 . . . . . 490 ALA H . 51423 1 1240 . 1 . 1 261 261 ALA C C 13 178.542 0.3 . 1 . . . . . 490 ALA C . 51423 1 1241 . 1 . 1 261 261 ALA CA C 13 54.595 0.3 . 1 . . . . . 490 ALA CA . 51423 1 1242 . 1 . 1 261 261 ALA CB C 13 17.937 0.3 . 1 . . . . . 490 ALA CB . 51423 1 1243 . 1 . 1 261 261 ALA N N 15 129.573 0.3 . 1 . . . . . 490 ALA N . 51423 1 1244 . 1 . 1 262 262 LYS H H 1 8.249 0.02 . 1 . . . . . 491 LYS H . 51423 1 1245 . 1 . 1 262 262 LYS C C 13 177.416 0.3 . 1 . . . . . 491 LYS C . 51423 1 1246 . 1 . 1 262 262 LYS CA C 13 59.952 0.3 . 1 . . . . . 491 LYS CA . 51423 1 1247 . 1 . 1 262 262 LYS CB C 13 31.035 0.3 . 1 . . . . . 491 LYS CB . 51423 1 1248 . 1 . 1 262 262 LYS N N 15 117.697 0.3 . 1 . . . . . 491 LYS N . 51423 1 1249 . 1 . 1 263 263 GLN H H 1 7.095 0.02 . 1 . . . . . 492 GLN H . 51423 1 1250 . 1 . 1 263 263 GLN C C 13 178.027 0.3 . 1 . . . . . 492 GLN C . 51423 1 1251 . 1 . 1 263 263 GLN CA C 13 57.881 0.3 . 1 . . . . . 492 GLN CA . 51423 1 1252 . 1 . 1 263 263 GLN CB C 13 27.506 0.3 . 1 . . . . . 492 GLN CB . 51423 1 1253 . 1 . 1 263 263 GLN N N 15 119.033 0.3 . 1 . . . . . 492 GLN N . 51423 1 1254 . 1 . 1 264 264 VAL H H 1 8.146 0.02 . 1 . . . . . 493 VAL H . 51423 1 1255 . 1 . 1 264 264 VAL C C 13 178.704 0.3 . 1 . . . . . 493 VAL C . 51423 1 1256 . 1 . 1 264 264 VAL CA C 13 65.238 0.3 . 1 . . . . . 493 VAL CA . 51423 1 1257 . 1 . 1 264 264 VAL CB C 13 31.271 0.3 . 1 . . . . . 493 VAL CB . 51423 1 1258 . 1 . 1 264 264 VAL N N 15 119.627 0.3 . 1 . . . . . 493 VAL N . 51423 1 1259 . 1 . 1 265 265 ALA H H 1 8.333 0.02 . 1 . . . . . 494 ALA H . 51423 1 1260 . 1 . 1 265 265 ALA C C 13 178.122 0.3 . 1 . . . . . 494 ALA C . 51423 1 1261 . 1 . 1 265 265 ALA CA C 13 54.774 0.3 . 1 . . . . . 494 ALA CA . 51423 1 1262 . 1 . 1 265 265 ALA CB C 13 18.408 0.3 . 1 . . . . . 494 ALA CB . 51423 1 1263 . 1 . 1 265 265 ALA N N 15 121.228 0.3 . 1 . . . . . 494 ALA N . 51423 1 1264 . 1 . 1 266 266 LYS H H 1 7.974 0.02 . 1 . . . . . 495 LYS H . 51423 1 1265 . 1 . 1 266 266 LYS C C 13 177.899 0.3 . 1 . . . . . 495 LYS C . 51423 1 1266 . 1 . 1 266 266 LYS CA C 13 59.917 0.3 . 1 . . . . . 495 LYS CA . 51423 1 1267 . 1 . 1 266 266 LYS CB C 13 31.741 0.3 . 1 . . . . . 495 LYS CB . 51423 1 1268 . 1 . 1 266 266 LYS N N 15 118.619 0.3 . 1 . . . . . 495 LYS N . 51423 1 1269 . 1 . 1 267 267 GLU H H 1 8.345 0.02 . 1 . . . . . 496 GLU H . 51423 1 1270 . 1 . 1 267 267 GLU C C 13 179.495 0.3 . 1 . . . . . 496 GLU C . 51423 1 1271 . 1 . 1 267 267 GLU CA C 13 59.167 0.3 . 1 . . . . . 496 GLU CA . 51423 1 1272 . 1 . 1 267 267 GLU CB C 13 28.369 0.3 . 1 . . . . . 496 GLU CB . 51423 1 1273 . 1 . 1 267 267 GLU N N 15 117.697 0.3 . 1 . . . . . 496 GLU N . 51423 1 1274 . 1 . 1 268 268 PHE H H 1 7.961 0.02 . 1 . . . . . 497 PHE H . 51423 1 1275 . 1 . 1 268 268 PHE C C 13 177.308 0.3 . 1 . . . . . 497 PHE C . 51423 1 1276 . 1 . 1 268 268 PHE CA C 13 61.131 0.3 . 1 . . . . . 497 PHE CA . 51423 1 1277 . 1 . 1 268 268 PHE CB C 13 38.643 0.3 . 1 . . . . . 497 PHE CB . 51423 1 1278 . 1 . 1 268 268 PHE N N 15 119.775 0.3 . 1 . . . . . 497 PHE N . 51423 1 1279 . 1 . 1 269 269 LEU H H 1 8.479 0.02 . 1 . . . . . 498 LEU H . 51423 1 1280 . 1 . 1 269 269 LEU C C 13 180.359 0.3 . 1 . . . . . 498 LEU C . 51423 1 1281 . 1 . 1 269 269 LEU CA C 13 57.624 0.3 . 1 . . . . . 498 LEU CA . 51423 1 1282 . 1 . 1 269 269 LEU CB C 13 40.649 0.3 . 1 . . . . . 498 LEU CB . 51423 1 1283 . 1 . 1 269 269 LEU N N 15 117.697 0.3 . 1 . . . . . 498 LEU N . 51423 1 1284 . 1 . 1 270 270 GLN H H 1 8.619 0.02 . 1 . . . . . 499 GLN H . 51423 1 1285 . 1 . 1 270 270 GLN C C 13 180.135 0.3 . 1 . . . . . 499 GLN C . 51423 1 1286 . 1 . 1 270 270 GLN CA C 13 58.631 0.3 . 1 . . . . . 499 GLN CA . 51423 1 1287 . 1 . 1 270 270 GLN CB C 13 27.741 0.3 . 1 . . . . . 499 GLN CB . 51423 1 1288 . 1 . 1 270 270 GLN N N 15 118.736 0.3 . 1 . . . . . 499 GLN N . 51423 1 1289 . 1 . 1 271 271 GLU H H 1 8.234 0.02 . 1 . . . . . 500 GLU H . 51423 1 1290 . 1 . 1 271 271 GLU C C 13 178.698 0.3 . 1 . . . . . 500 GLU C . 51423 1 1291 . 1 . 1 271 271 GLU CA C 13 58.809 0.3 . 1 . . . . . 500 GLU CA . 51423 1 1292 . 1 . 1 271 271 GLU CB C 13 28.212 0.3 . 1 . . . . . 500 GLU CB . 51423 1 1293 . 1 . 1 271 271 GLU N N 15 123.338 0.3 . 1 . . . . . 500 GLU N . 51423 1 1294 . 1 . 1 272 272 GLN H H 1 7.583 0.02 . 1 . . . . . 501 GLN H . 51423 1 1295 . 1 . 1 272 272 GLN C C 13 175.918 0.3 . 1 . . . . . 501 GLN C . 51423 1 1296 . 1 . 1 272 272 GLN CA C 13 54.167 0.3 . 1 . . . . . 501 GLN CA . 51423 1 1297 . 1 . 1 272 272 GLN CB C 13 28.055 0.3 . 1 . . . . . 501 GLN CB . 51423 1 1298 . 1 . 1 272 272 GLN N N 15 113.837 0.3 . 1 . . . . . 501 GLN N . 51423 1 1299 . 1 . 1 273 273 GLY H H 1 7.62 0.02 . 1 . . . . . 502 GLY H . 51423 1 1300 . 1 . 1 273 273 GLY C C 13 174.732 0.3 . 1 . . . . . 502 GLY C . 51423 1 1301 . 1 . 1 273 273 GLY CA C 13 45.381 0.3 . 1 . . . . . 502 GLY CA . 51423 1 1302 . 1 . 1 273 273 GLY N N 15 107.899 0.3 . 1 . . . . . 502 GLY N . 51423 1 1303 . 1 . 1 274 274 LEU H H 1 8.086 0.02 . 1 . . . . . 503 LEU H . 51423 1 1304 . 1 . 1 274 274 LEU C C 13 175.017 0.3 . 1 . . . . . 503 LEU C . 51423 1 1305 . 1 . 1 274 274 LEU CA C 13 54.452 0.3 . 1 . . . . . 503 LEU CA . 51423 1 1306 . 1 . 1 274 274 LEU CB C 13 42.016 0.3 . 1 . . . . . 503 LEU CB . 51423 1 1307 . 1 . 1 274 274 LEU N N 15 118.885 0.3 . 1 . . . . . 503 LEU N . 51423 1 1308 . 1 . 1 275 275 LEU H H 1 6.828 0.02 . 1 . . . . . 504 LEU H . 51423 1 1309 . 1 . 1 275 275 LEU C C 13 175.829 0.3 . 1 . . . . . 504 LEU C . 51423 1 1310 . 1 . 1 275 275 LEU CA C 13 52.702 0.3 . 1 . . . . . 504 LEU CA . 51423 1 1311 . 1 . 1 275 275 LEU CB C 13 46.094 0.3 . 1 . . . . . 504 LEU CB . 51423 1 1312 . 1 . 1 275 275 LEU N N 15 118.736 0.3 . 1 . . . . . 504 LEU N . 51423 1 1313 . 1 . 1 276 276 LYS H H 1 9.574 0.02 . 1 . . . . . 505 LYS H . 51423 1 1314 . 1 . 1 276 276 LYS C C 13 176.393 0.3 . 1 . . . . . 505 LYS C . 51423 1 1315 . 1 . 1 276 276 LYS CA C 13 56.845 0.3 . 1 . . . . . 505 LYS CA . 51423 1 1316 . 1 . 1 276 276 LYS CB C 13 31.898 0.3 . 1 . . . . . 505 LYS CB . 51423 1 1317 . 1 . 1 276 276 LYS N N 15 125.268 0.3 . 1 . . . . . 505 LYS N . 51423 1 1318 . 1 . 1 277 277 LYS H H 1 7.931 0.02 . 1 . . . . . 506 LYS H . 51423 1 1319 . 1 . 1 277 277 LYS C C 13 181.255 0.3 . 1 . . . . . 506 LYS C . 51423 1 1320 . 1 . 1 277 277 LYS CA C 13 57.595 0.3 . 1 . . . . . 506 LYS CA . 51423 1 1321 . 1 . 1 277 277 LYS CB C 13 33.153 0.3 . 1 . . . . . 506 LYS CB . 51423 1 1322 . 1 . 1 277 277 LYS N N 15 127.94 0.3 . 1 . . . . . 506 LYS N . 51423 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOEs_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOEs_1 _Heteronucl_NOE_list.Entry_ID 51423 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Name 'apo EgtU hNOE' _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'peak height' _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID 11 '1H-15N heteronoe' . . . 51423 1 stop_ loop_ _Heteronucl_NOE_software.Software_ID _Heteronucl_NOE_software.Software_label _Heteronucl_NOE_software.Method_ID _Heteronucl_NOE_software.Method_label _Heteronucl_NOE_software.Entry_ID _Heteronucl_NOE_software.Heteronucl_NOE_list_ID 1 $software_1 . . 51423 1 2 $software_2 . . 51423 1 3 $software_3 . . 51423 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 4 4 GLU N N 15 . 1 1 4 4 GLU H H 1 -5.820820821 0.591200674 . . . 233 GLU N . 233 GLU H 51423 1 2 . 1 1 5 5 LYS N N 15 . 1 1 5 5 LYS H H 1 -0.39801348 0.015272036 . . . 234 LYS N . 234 LYS H 51423 1 3 . 1 1 8 8 LEU N N 15 . 1 1 8 8 LEU H H 1 0.848728677 0.016885967 . . . 237 LEU N . 237 LEU H 51423 1 4 . 1 1 9 9 ILE N N 15 . 1 1 9 9 ILE H H 1 0.869578686 0.01642137 . . . 238 ILE N . 238 ILE H 51423 1 5 . 1 1 10 10 ILE N N 15 . 1 1 10 10 ILE H H 1 0.841092835 0.01457139 . . . 239 ILE N . 239 ILE H 51423 1 6 . 1 1 11 11 ALA N N 15 . 1 1 11 11 ALA H H 1 0.83510518 0.01178777 . . . 240 ALA N . 240 ALA H 51423 1 7 . 1 1 12 12 GLY N N 15 . 1 1 12 12 GLY H H 1 0.836730123 0.011680945 . . . 241 GLY N . 241 GLY H 51423 1 8 . 1 1 13 13 LYS N N 15 . 1 1 13 13 LYS H H 1 0.812372072 0.011720626 . . . 242 LYS N . 242 LYS H 51423 1 9 . 1 1 17 17 GLU N N 15 . 1 1 17 17 GLU H H 1 0.866752082 0.011303451 . . . 246 GLU N . 246 GLU H 51423 1 10 . 1 1 19 19 GLU N N 15 . 1 1 19 19 GLU H H 1 0.840176715 0.013576922 . . . 248 GLU N . 248 GLU H 51423 1 11 . 1 1 20 20 ILE N N 15 . 1 1 20 20 ILE H H 1 0.840464548 0.015969255 . . . 249 ILE N . 249 ILE H 51423 1 12 . 1 1 21 21 LEU N N 15 . 1 1 21 21 LEU H H 1 0.845392232 0.013297395 . . . 250 LEU N . 250 LEU H 51423 1 13 . 1 1 22 22 ALA N N 15 . 1 1 22 22 ALA H H 1 0.840054682 0.008927009 . . . 251 ALA N . 251 ALA H 51423 1 14 . 1 1 23 23 ASN N N 15 . 1 1 23 23 ASN H H 1 0.783268314 0.011012049 . . . 252 ASN N . 252 ASN H 51423 1 15 . 1 1 24 24 MET N N 15 . 1 1 24 24 MET H H 1 0.837899026 0.011814679 . . . 253 MET N . 253 MET H 51423 1 16 . 1 1 25 25 TYR N N 15 . 1 1 25 25 TYR H H 1 0.845465636 0.010650739 . . . 254 TYR N . 254 TYR H 51423 1 17 . 1 1 26 26 LYS N N 15 . 1 1 26 26 LYS H H 1 0.86889332 0.013207925 . . . 255 LYS N . 255 LYS H 51423 1 18 . 1 1 29 29 ILE N N 15 . 1 1 29 29 ILE H H 1 0.875979112 0.013884211 . . . 258 ILE N . 258 ILE H 51423 1 19 . 1 1 30 30 GLU N N 15 . 1 1 30 30 GLU H H 1 0.866171004 0.013114954 . . . 259 GLU N . 259 GLU H 51423 1 20 . 1 1 31 31 GLU N N 15 . 1 1 31 31 GLU H H 1 0.880983668 0.010007254 . . . 260 GLU N . 260 GLU H 51423 1 21 . 1 1 32 32 ASN N N 15 . 1 1 32 32 ASN H H 1 0.855687606 0.012768675 . . . 261 ASN N . 261 ASN H 51423 1 22 . 1 1 33 33 THR N N 15 . 1 1 33 33 THR H H 1 0.848396501 0.008496291 . . . 262 THR N . 262 THR H 51423 1 23 . 1 1 34 34 SER N N 15 . 1 1 34 34 SER H H 1 0.865107914 0.031709237 . . . 263 SER N . 263 SER H 51423 1 24 . 1 1 36 36 THR N N 15 . 1 1 36 36 THR H H 1 0.854716488 0.013749673 . . . 265 THR N . 265 THR H 51423 1 25 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.87010919 0.012061444 . . . 266 ALA N . 266 ALA H 51423 1 26 . 1 1 38 38 THR N N 15 . 1 1 38 38 THR H H 1 0.859630033 0.011479415 . . . 267 THR N . 267 THR H 51423 1 27 . 1 1 39 39 VAL N N 15 . 1 1 39 39 VAL H H 1 0.830646992 0.011804678 . . . 268 VAL N . 268 VAL H 51423 1 28 . 1 1 40 40 LYS N N 15 . 1 1 40 40 LYS H H 1 0.832494821 0.015403038 . . . 269 LYS N . 269 LYS H 51423 1 29 . 1 1 42 42 ASN N N 15 . 1 1 42 42 ASN H H 1 0.865663475 0.014474843 . . . 271 ASN N . 271 ASN H 51423 1 30 . 1 1 43 43 PHE N N 15 . 1 1 43 43 PHE H H 1 0.875387597 0.010302508 . . . 272 PHE N . 272 PHE H 51423 1 31 . 1 1 44 44 GLY N N 15 . 1 1 44 44 GLY H H 1 0.854451422 0.009717974 . . . 273 GLY N . 273 GLY H 51423 1 32 . 1 1 46 46 THR N N 15 . 1 1 46 46 THR H H 1 0.843171296 0.015139216 . . . 275 THR N . 275 THR H 51423 1 33 . 1 1 47 47 SER N N 15 . 1 1 47 47 SER H H 1 0.808711006 0.030278624 . . . 276 SER N . 276 SER H 51423 1 34 . 1 1 48 48 PHE N N 15 . 1 1 48 48 PHE H H 1 0.92380584 0.010531059 . . . 277 PHE N . 277 PHE H 51423 1 35 . 1 1 50 50 TYR N N 15 . 1 1 50 50 TYR H H 1 0.836920739 0.013208486 . . . 279 TYR N . 279 TYR H 51423 1 36 . 1 1 51 51 GLU N N 15 . 1 1 51 51 GLU H H 1 0.874060894 0.010503361 . . . 280 GLU N . 280 GLU H 51423 1 37 . 1 1 52 52 ALA N N 15 . 1 1 52 52 ALA H H 1 0.881746032 0.00846489 . . . 281 ALA N . 281 ALA H 51423 1 38 . 1 1 53 53 LEU N N 15 . 1 1 53 53 LEU H H 1 0.903204565 0.011830626 . . . 282 LEU N . 282 LEU H 51423 1 39 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.828558836 0.011446954 . . . 283 LYS N . 283 LYS H 51423 1 40 . 1 1 56 56 GLY N N 15 . 1 1 56 56 GLY H H 1 0.816477159 0.010301075 . . . 285 GLY N . 285 GLY H 51423 1 41 . 1 1 57 57 ASP N N 15 . 1 1 57 57 ASP H H 1 0.852547453 0.010502232 . . . 286 ASP N . 286 ASP H 51423 1 42 . 1 1 58 58 ILE N N 15 . 1 1 58 58 ILE H H 1 0.916601101 0.010672888 . . . 287 ILE N . 287 ILE H 51423 1 43 . 1 1 60 60 ILE N N 15 . 1 1 60 60 ILE H H 1 0.869067103 0.009637162 . . . 289 ILE N . 289 ILE H 51423 1 44 . 1 1 61 61 TYR N N 15 . 1 1 61 61 TYR H H 1 0.853116407 0.012048221 . . . 290 TYR N . 290 TYR H 51423 1 45 . 1 1 63 63 GLU N N 15 . 1 1 63 63 GLU H H 1 0.879363572 0.012649211 . . . 292 GLU N . 292 GLU H 51423 1 46 . 1 1 64 64 PHE N N 15 . 1 1 64 64 PHE H H 1 0.90584166 0.020742156 . . . 293 PHE N . 293 PHE H 51423 1 47 . 1 1 65 65 THR N N 15 . 1 1 65 65 THR H H 1 0.868193766 0.019891794 . . . 294 THR N . 294 THR H 51423 1 48 . 1 1 66 66 GLY N N 15 . 1 1 66 66 GLY H H 1 0.831481003 0.013445575 . . . 295 GLY N . 295 GLY H 51423 1 49 . 1 1 67 67 THR N N 15 . 1 1 67 67 THR H H 1 0.892337747 0.011636629 . . . 296 THR N . 296 THR H 51423 1 50 . 1 1 69 69 THR N N 15 . 1 1 69 69 THR H H 1 0.862326574 0.011273914 . . . 298 THR N . 298 THR H 51423 1 51 . 1 1 71 71 SER N N 15 . 1 1 71 71 SER H H 1 0.827627484 0.012430576 . . . 300 SER N . 300 SER H 51423 1 52 . 1 1 72 72 LEU N N 15 . 1 1 72 72 LEU H H 1 0.819090136 0.010991805 . . . 301 LEU N . 301 LEU H 51423 1 53 . 1 1 73 73 LEU N N 15 . 1 1 73 73 LEU H H 1 0.891972673 0.01144326 . . . 302 LEU N . 302 LEU H 51423 1 54 . 1 1 74 74 GLN N N 15 . 1 1 74 74 GLN H H 1 0.80291411 0.013112958 . . . 303 GLN N . 303 GLN H 51423 1 55 . 1 1 76 76 SER N N 15 . 1 1 76 76 SER H H 1 0.812664908 0.012363392 . . . 305 SER N . 305 SER H 51423 1 56 . 1 1 79 79 VAL N N 15 . 1 1 79 79 VAL H H 1 0.507171001 0.007068617 . . . 308 VAL N . 308 VAL H 51423 1 57 . 1 1 81 81 HIS N N 15 . 1 1 81 81 HIS H H 1 0.763904382 0.040108105 . . . 310 HIS N . 310 HIS H 51423 1 58 . 1 1 84 84 GLU N N 15 . 1 1 84 84 GLU H H 1 0.797774159 0.013889637 . . . 313 GLU N . 313 GLU H 51423 1 59 . 1 1 85 85 GLN N N 15 . 1 1 85 85 GLN H H 1 0.799409485 0.009450128 . . . 314 GLN N . 314 GLN H 51423 1 60 . 1 1 86 86 VAL N N 15 . 1 1 86 86 VAL H H 1 0.86541471 0.013797349 . . . 315 VAL N . 315 VAL H 51423 1 61 . 1 1 90 90 ALA N N 15 . 1 1 90 90 ALA H H 1 0.818470742 0.009663443 . . . 319 ALA N . 319 ALA H 51423 1 62 . 1 1 91 91 ARG N N 15 . 1 1 91 91 ARG H H 1 0.84566389 0.012833281 . . . 320 ARG N . 320 ARG H 51423 1 63 . 1 1 92 92 ASP N N 15 . 1 1 92 92 ASP H H 1 0.888915039 0.012595644 . . . 321 ASP N . 321 ASP H 51423 1 64 . 1 1 93 93 GLY N N 15 . 1 1 93 93 GLY H H 1 0.875462392 0.010925382 . . . 322 GLY N . 322 GLY H 51423 1 65 . 1 1 94 94 ILE N N 15 . 1 1 94 94 ILE H H 1 0.911041466 0.013045069 . . . 323 ILE N . 323 ILE H 51423 1 66 . 1 1 95 95 ALA N N 15 . 1 1 95 95 ALA H H 1 0.882659965 0.010313743 . . . 324 ALA N . 324 ALA H 51423 1 67 . 1 1 96 96 LYS N N 15 . 1 1 96 96 LYS H H 1 0.844392445 0.00875023 . . . 325 LYS N . 325 LYS H 51423 1 68 . 1 1 97 97 GLN N N 15 . 1 1 97 97 GLN H H 1 0.83153789 0.009662404 . . . 326 GLN N . 326 GLN H 51423 1 69 . 1 1 98 98 ASP N N 15 . 1 1 98 98 ASP H H 1 0.847769784 0.015090615 . . . 327 ASP N . 327 ASP H 51423 1 70 . 1 1 99 99 HIS N N 15 . 1 1 99 99 HIS H H 1 0.90180564 0.010927742 . . . 328 HIS N . 328 HIS H 51423 1 71 . 1 1 101 101 ALA N N 15 . 1 1 101 101 ALA H H 1 0.88254693 0.013533739 . . . 330 ALA N . 330 ALA H 51423 1 72 . 1 1 102 102 TYR N N 15 . 1 1 102 102 TYR H H 1 0.884365281 0.015097019 . . . 331 TYR N . 331 TYR H 51423 1 73 . 1 1 103 103 LEU N N 15 . 1 1 103 103 LEU H H 1 0.892058824 0.015765448 . . . 332 LEU N . 332 LEU H 51423 1 74 . 1 1 104 104 LYS N N 15 . 1 1 104 104 LYS H H 1 0.828307692 0.015981498 . . . 333 LYS N . 333 LYS H 51423 1 75 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.887649847 0.014910868 . . . 336 SER N . 336 SER H 51423 1 76 . 1 1 108 108 TYR N N 15 . 1 1 108 108 TYR H H 1 0.791432942 0.013006533 . . . 337 TYR N . 337 TYR H 51423 1 77 . 1 1 110 110 ASN N N 15 . 1 1 110 110 ASN H H 1 0.843631179 0.012436547 . . . 339 ASN N . 339 ASN H 51423 1 78 . 1 1 112 112 TYR N N 15 . 1 1 112 112 TYR H H 1 0.892143001 0.010827058 . . . 341 TYR N . 341 TYR H 51423 1 79 . 1 1 113 113 ALA N N 15 . 1 1 113 113 ALA H H 1 0.801318267 0.012066373 . . . 342 ALA N . 342 ALA H 51423 1 80 . 1 1 114 114 VAL N N 15 . 1 1 114 114 VAL H H 1 0.884448884 0.017782342 . . . 343 VAL N . 343 VAL H 51423 1 81 . 1 1 115 115 ALA N N 15 . 1 1 115 115 ALA H H 1 0.826877809 0.011107084 . . . 344 ALA N . 344 ALA H 51423 1 82 . 1 1 116 116 VAL N N 15 . 1 1 116 116 VAL H H 1 0.813324819 0.010974805 . . . 345 VAL N . 345 VAL H 51423 1 83 . 1 1 118 118 LYS N N 15 . 1 1 118 118 LYS H H 1 0.792923812 0.011080672 . . . 347 LYS N . 347 LYS H 51423 1 84 . 1 1 119 119 LYS N N 15 . 1 1 119 119 LYS H H 1 0.863886703 0.013862854 . . . 348 LYS N . 348 LYS H 51423 1 85 . 1 1 120 120 ILE N N 15 . 1 1 120 120 ILE H H 1 0.789163391 0.01430526 . . . 349 ILE N . 349 ILE H 51423 1 86 . 1 1 122 122 GLN N N 15 . 1 1 122 122 GLN H H 1 0.809379728 0.008650228 . . . 351 GLN N . 351 GLN H 51423 1 87 . 1 1 124 124 TYR N N 15 . 1 1 124 124 TYR H H 1 0.762427506 0.010418358 . . . 353 TYR N . 353 TYR H 51423 1 88 . 1 1 125 125 GLY N N 15 . 1 1 125 125 GLY H H 1 0.778811623 0.008276177 . . . 354 GLY N . 354 GLY H 51423 1 89 . 1 1 126 126 LEU N N 15 . 1 1 126 126 LEU H H 1 0.778062734 0.009998316 . . . 355 LEU N . 355 LEU H 51423 1 90 . 1 1 127 127 LYS N N 15 . 1 1 127 127 LYS H H 1 0.857033051 0.020246062 . . . 356 LYS N . 356 LYS H 51423 1 91 . 1 1 128 128 THR N N 15 . 1 1 128 128 THR H H 1 0.816234498 0.014552748 . . . 357 THR N . 357 THR H 51423 1 92 . 1 1 131 131 ASP N N 15 . 1 1 131 131 ASP H H 1 0.824493732 0.009998589 . . . 360 ASP N . 360 ASP H 51423 1 93 . 1 1 132 132 LEU N N 15 . 1 1 132 132 LEU H H 1 0.852591171 0.010089214 . . . 361 LEU N . 361 LEU H 51423 1 94 . 1 1 133 133 LYS N N 15 . 1 1 133 133 LYS H H 1 0.81400918 0.010292738 . . . 362 LYS N . 362 LYS H 51423 1 95 . 1 1 134 134 LYS N N 15 . 1 1 134 134 LYS H H 1 0.778472457 0.008565652 . . . 363 LYS N . 363 LYS H 51423 1 96 . 1 1 135 135 VAL N N 15 . 1 1 135 135 VAL H H 1 0.743142784 0.012775163 . . . 364 VAL N . 364 VAL H 51423 1 97 . 1 1 136 136 GLU N N 15 . 1 1 136 136 GLU H H 1 0.775622318 0.008690399 . . . 365 GLU N . 365 GLU H 51423 1 98 . 1 1 137 137 GLY N N 15 . 1 1 137 137 GLY H H 1 0.846499679 0.033658991 . . . 366 GLY N . 366 GLY H 51423 1 99 . 1 1 140 140 LYS N N 15 . 1 1 140 140 LYS H H 1 0.854312835 0.010856276 . . . 369 LYS N . 369 LYS H 51423 1 100 . 1 1 141 141 ALA N N 15 . 1 1 141 141 ALA H H 1 0.829772727 0.011813016 . . . 370 ALA N . 370 ALA H 51423 1 101 . 1 1 142 142 GLY N N 15 . 1 1 142 142 GLY H H 1 0.85061696 0.013786717 . . . 371 GLY N . 371 GLY H 51423 1 102 . 1 1 144 144 THR N N 15 . 1 1 144 144 THR H H 1 0.861522563 0.018187148 . . . 373 THR N . 373 THR H 51423 1 103 . 1 1 146 146 GLU N N 15 . 1 1 146 146 GLU H H 1 0.80756435 0.009002723 . . . 375 GLU N . 375 GLU H 51423 1 104 . 1 1 147 147 PHE N N 15 . 1 1 147 147 PHE H H 1 0.854586808 0.007978261 . . . 376 PHE N . 376 PHE H 51423 1 105 . 1 1 149 149 ASP N N 15 . 1 1 149 149 ASP H H 1 0.796858265 0.009130058 . . . 378 ASP N . 378 ASP H 51423 1 106 . 1 1 150 150 ARG N N 15 . 1 1 150 150 ARG H H 1 0.80009073 0.007746448 . . . 379 ARG N . 379 ARG H 51423 1 107 . 1 1 151 151 GLU N N 15 . 1 1 151 151 GLU H H 1 0.814850071 0.024558853 . . . 380 GLU N . 380 GLU H 51423 1 108 . 1 1 152 152 ASP N N 15 . 1 1 152 152 ASP H H 1 0.72900097 0.009602441 . . . 381 ASP N . 381 ASP H 51423 1 109 . 1 1 153 153 GLY N N 15 . 1 1 153 153 GLY H H 1 0.363594786 0.009732901 . . . 382 GLY N . 382 GLY H 51423 1 110 . 1 1 154 154 ASN N N 15 . 1 1 154 154 ASN H H 1 0.867973856 0.013847342 . . . 383 ASN N . 383 ASN H 51423 1 111 . 1 1 155 155 LYS N N 15 . 1 1 155 155 LYS H H 1 0.801642178 0.011077367 . . . 384 LYS N . 384 LYS H 51423 1 112 . 1 1 157 157 LEU N N 15 . 1 1 157 157 LEU H H 1 0.825889275 0.01387489 . . . 386 LEU N . 386 LEU H 51423 1 113 . 1 1 159 159 SER N N 15 . 1 1 159 159 SER H H 1 0.811568081 0.008440983 . . . 388 SER N . 388 SER H 51423 1 114 . 1 1 161 161 TYR N N 15 . 1 1 161 161 TYR H H 1 0.712719298 0.013464844 . . . 390 TYR N . 390 TYR H 51423 1 115 . 1 1 163 163 LEU N N 15 . 1 1 163 163 LEU H H 1 0.834323583 0.01190441 . . . 392 LEU N . 392 LEU H 51423 1 116 . 1 1 164 164 ASN N N 15 . 1 1 164 164 ASN H H 1 0.708105538 0.011650314 . . . 393 ASN N . 393 ASN H 51423 1 117 . 1 1 166 166 ASN N N 15 . 1 1 166 166 ASN H H 1 0.854787234 0.01399517 . . . 395 ASN N . 395 ASN H 51423 1 118 . 1 1 167 167 VAL N N 15 . 1 1 167 167 VAL H H 1 0.857028112 0.010578338 . . . 396 VAL N . 396 VAL H 51423 1 119 . 1 1 168 168 ALA N N 15 . 1 1 168 168 ALA H H 1 0.786914631 0.011404808 . . . 397 ALA N . 397 ALA H 51423 1 120 . 1 1 174 174 LEU N N 15 . 1 1 174 174 LEU H H 1 0.640944257 0.009424916 . . . 403 LEU N . 403 LEU H 51423 1 121 . 1 1 175 175 ARG N N 15 . 1 1 175 175 ARG H H 1 0.812789994 0.010398656 . . . 404 ARG N . 404 ARG H 51423 1 122 . 1 1 176 176 TYR N N 15 . 1 1 176 176 TYR H H 1 0.806957886 0.01344476 . . . 405 TYR N . 405 TYR H 51423 1 123 . 1 1 178 178 ALA N N 15 . 1 1 178 178 ALA H H 1 0.759054583 0.008539049 . . . 407 ALA N . 407 ALA H 51423 1 124 . 1 1 179 179 ILE N N 15 . 1 1 179 179 ILE H H 1 0.777939042 0.010507656 . . . 408 ILE N . 408 ILE H 51423 1 125 . 1 1 181 181 SER N N 15 . 1 1 181 181 SER H H 1 0.804986974 0.009555237 . . . 410 SER N . 410 SER H 51423 1 126 . 1 1 183 183 ASP N N 15 . 1 1 183 183 ASP H H 1 0.833474792 0.008839238 . . . 412 ASP N . 412 ASP H 51423 1 127 . 1 1 184 184 ILE N N 15 . 1 1 184 184 ILE H H 1 0.795432172 0.010063212 . . . 413 ILE N . 413 ILE H 51423 1 128 . 1 1 186 186 ILE N N 15 . 1 1 186 186 ILE H H 1 0.848719938 0.013567228 . . . 415 ILE N . 415 ILE H 51423 1 129 . 1 1 187 187 THR N N 15 . 1 1 187 187 THR H H 1 0.830116606 0.010451559 . . . 416 THR N . 416 THR H 51423 1 130 . 1 1 188 188 ASP N N 15 . 1 1 188 188 ASP H H 1 0.840319845 0.012659966 . . . 417 ASP N . 417 ASP H 51423 1 131 . 1 1 189 189 ALA N N 15 . 1 1 189 189 ALA H H 1 0.804269753 0.010241791 . . . 418 ALA N . 418 ALA H 51423 1 132 . 1 1 190 190 TYR N N 15 . 1 1 190 190 TYR H H 1 0.76904571 0.010116435 . . . 419 TYR N . 419 TYR H 51423 1 133 . 1 1 191 191 SER N N 15 . 1 1 191 191 SER H H 1 0.87318362 0.011691527 . . . 420 SER N . 420 SER H 51423 1 134 . 1 1 192 192 THR N N 15 . 1 1 192 192 THR H H 1 0.840110746 0.009040024 . . . 421 THR N . 421 THR H 51423 1 135 . 1 1 193 193 ASP N N 15 . 1 1 193 193 ASP H H 1 0.907086103 0.008757017 . . . 422 ASP N . 422 ASP H 51423 1 136 . 1 1 194 194 ALA N N 15 . 1 1 194 194 ALA H H 1 0.886953079 0.010585386 . . . 423 ALA N . 423 ALA H 51423 1 137 . 1 1 195 195 GLU N N 15 . 1 1 195 195 GLU H H 1 0.863240947 0.010690305 . . . 424 GLU N . 424 GLU H 51423 1 138 . 1 1 197 197 GLU N N 15 . 1 1 197 197 GLU H H 1 0.875 0.016445151 . . . 426 GLU N . 426 GLU H 51423 1 139 . 1 1 199 199 TYR N N 15 . 1 1 199 199 TYR H H 1 0.760042965 0.010793138 . . . 428 TYR N . 428 TYR H 51423 1 140 . 1 1 200 200 ASP N N 15 . 1 1 200 200 ASP H H 1 0.837005887 0.00877418 . . . 429 ASP N . 429 ASP H 51423 1 141 . 1 1 201 201 LEU N N 15 . 1 1 201 201 LEU H H 1 0.815693037 0.011127281 . . . 430 LEU N . 430 LEU H 51423 1 142 . 1 1 202 202 GLN N N 15 . 1 1 202 202 GLN H H 1 0.752310062 0.01284792 . . . 431 GLN N . 431 GLN H 51423 1 143 . 1 1 204 204 LEU N N 15 . 1 1 204 204 LEU H H 1 0.805857488 0.015510775 . . . 433 LEU N . 433 LEU H 51423 1 144 . 1 1 205 205 GLU N N 15 . 1 1 205 205 GLU H H 1 0.783408834 0.014386484 . . . 434 GLU N . 434 GLU H 51423 1 145 . 1 1 206 206 ASP N N 15 . 1 1 206 206 ASP H H 1 0.820142234 0.011867889 . . . 435 ASP N . 435 ASP H 51423 1 146 . 1 1 207 207 ASP N N 15 . 1 1 207 207 ASP H H 1 0.820484822 0.01129959 . . . 436 ASP N . 436 ASP H 51423 1 147 . 1 1 210 210 LEU N N 15 . 1 1 210 210 LEU H H 1 0.826505362 0.014268328 . . . 439 LEU N . 439 LEU H 51423 1 148 . 1 1 211 211 PHE N N 15 . 1 1 211 211 PHE H H 1 0.87081843 0.011159422 . . . 440 PHE N . 440 PHE H 51423 1 149 . 1 1 216 216 GLY N N 15 . 1 1 216 216 GLY H H 1 0.869128604 0.017167596 . . . 445 GLY N . 445 GLY H 51423 1 150 . 1 1 217 217 ALA N N 15 . 1 1 217 217 ALA H H 1 0.881422925 0.011708445 . . . 446 ALA N . 446 ALA H 51423 1 151 . 1 1 219 219 LEU N N 15 . 1 1 219 219 LEU H H 1 0.856317508 0.013228242 . . . 448 LEU N . 448 LEU H 51423 1 152 . 1 1 221 221 LYS N N 15 . 1 1 221 221 LYS H H 1 0.907159717 0.021245673 . . . 450 LYS N . 450 LYS H 51423 1 153 . 1 1 223 223 ALA N N 15 . 1 1 223 223 ALA H H 1 0.893514812 0.042947405 . . . 452 ALA N . 452 ALA H 51423 1 154 . 1 1 224 224 LEU N N 15 . 1 1 224 224 LEU H H 1 0.840448136 0.010092907 . . . 453 LEU N . 453 LEU H 51423 1 155 . 1 1 225 225 LEU N N 15 . 1 1 225 225 LEU H H 1 0.859214342 0.013903789 . . . 454 LEU N . 454 LEU H 51423 1 156 . 1 1 227 227 LYS N N 15 . 1 1 227 227 LYS H H 1 0.799591382 0.009512404 . . . 456 LYS N . 456 LYS H 51423 1 157 . 1 1 228 228 HIS N N 15 . 1 1 228 228 HIS H H 1 0.863754325 0.011430709 . . . 457 HIS N . 457 HIS H 51423 1 158 . 1 1 230 230 GLU N N 15 . 1 1 230 230 GLU H H 1 0.869011093 0.012507266 . . . 459 GLU N . 459 GLU H 51423 1 159 . 1 1 231 231 LEU N N 15 . 1 1 231 231 LEU H H 1 0.833673886 0.010641 . . . 460 LEU N . 460 LEU H 51423 1 160 . 1 1 232 232 GLU N N 15 . 1 1 232 232 GLU H H 1 0.857731619 0.008687511 . . . 461 GLU N . 461 GLU H 51423 1 161 . 1 1 233 233 ARG N N 15 . 1 1 233 233 ARG H H 1 0.764820847 0.01093549 . . . 462 ARG N . 462 ARG H 51423 1 162 . 1 1 235 235 LEU N N 15 . 1 1 235 235 LEU H H 1 0.81017562 0.013295517 . . . 464 LEU N . 464 LEU H 51423 1 163 . 1 1 236 236 ASN N N 15 . 1 1 236 236 ASN H H 1 0.834687246 0.010581441 . . . 465 ASN N . 465 ASN H 51423 1 164 . 1 1 237 237 THR N N 15 . 1 1 237 237 THR H H 1 0.879832239 0.00971521 . . . 466 THR N . 466 THR H 51423 1 165 . 1 1 239 239 ALA N N 15 . 1 1 239 239 ALA H H 1 0.831942483 0.006680284 . . . 468 ALA N . 468 ALA H 51423 1 166 . 1 1 240 240 GLY N N 15 . 1 1 240 240 GLY H H 1 0.83788122 0.013960668 . . . 469 GLY N . 469 GLY H 51423 1 167 . 1 1 241 241 LYS N N 15 . 1 1 241 241 LYS H H 1 0.826430801 0.010799586 . . . 470 LYS N . 470 LYS H 51423 1 168 . 1 1 242 242 ILE N N 15 . 1 1 242 242 ILE H H 1 0.852676457 0.012450739 . . . 471 ILE N . 471 ILE H 51423 1 169 . 1 1 243 243 THR N N 15 . 1 1 243 243 THR H H 1 0.815153494 0.016853631 . . . 472 THR N . 472 THR H 51423 1 170 . 1 1 244 244 GLU N N 15 . 1 1 244 244 GLU H H 1 0.867314647 0.011968535 . . . 473 GLU N . 473 GLU H 51423 1 171 . 1 1 245 245 SER N N 15 . 1 1 245 245 SER H H 1 0.860465116 0.010059034 . . . 474 SER N . 474 SER H 51423 1 172 . 1 1 246 246 GLN N N 15 . 1 1 246 246 GLN H H 1 0.902764306 0.013067053 . . . 475 GLN N . 475 GLN H 51423 1 173 . 1 1 248 248 SER N N 15 . 1 1 248 248 SER H H 1 0.912373311 0.011433032 . . . 477 SER N . 477 SER H 51423 1 174 . 1 1 250 250 LEU N N 15 . 1 1 250 250 LEU H H 1 0.877736707 0.015133033 . . . 479 LEU N . 479 LEU H 51423 1 175 . 1 1 251 251 ASN N N 15 . 1 1 251 251 ASN H H 1 0.894074235 0.011646673 . . . 480 ASN N . 480 ASN H 51423 1 176 . 1 1 252 252 TYR N N 15 . 1 1 252 252 TYR H H 1 0.887439945 0.01223512 . . . 481 TYR N . 481 TYR H 51423 1 177 . 1 1 253 253 GLN N N 15 . 1 1 253 253 GLN H H 1 0.80787037 0.013225886 . . . 482 GLN N . 482 GLN H 51423 1 178 . 1 1 255 255 GLY N N 15 . 1 1 255 255 GLY H H 1 0.846710051 0.012632559 . . . 484 GLY N . 484 GLY H 51423 1 179 . 1 1 256 256 VAL N N 15 . 1 1 256 256 VAL H H 1 0.834721849 0.014002662 . . . 485 VAL N . 485 VAL H 51423 1 180 . 1 1 257 257 GLU N N 15 . 1 1 257 257 GLU H H 1 0.832178771 0.011628777 . . . 486 GLU N . 486 GLU H 51423 1 181 . 1 1 258 258 GLY N N 15 . 1 1 258 258 GLY H H 1 0.872282035 0.011205235 . . . 487 GLY N . 487 GLY H 51423 1 182 . 1 1 259 259 LYS N N 15 . 1 1 259 259 LYS H H 1 0.848417954 0.009649863 . . . 488 LYS N . 488 LYS H 51423 1 183 . 1 1 260 260 SER N N 15 . 1 1 260 260 SER H H 1 0.751263335 0.009363716 . . . 489 SER N . 489 SER H 51423 1 184 . 1 1 261 261 ALA N N 15 . 1 1 261 261 ALA H H 1 0.80269372 0.008971904 . . . 490 ALA N . 490 ALA H 51423 1 185 . 1 1 262 262 LYS N N 15 . 1 1 262 262 LYS H H 1 0.84052341 0.010683483 . . . 491 LYS N . 491 LYS H 51423 1 186 . 1 1 263 263 GLN N N 15 . 1 1 263 263 GLN H H 1 0.813366961 0.009288542 . . . 492 GLN N . 492 GLN H 51423 1 187 . 1 1 264 264 VAL N N 15 . 1 1 264 264 VAL H H 1 0.840470026 0.010406601 . . . 493 VAL N . 493 VAL H 51423 1 188 . 1 1 265 265 ALA N N 15 . 1 1 265 265 ALA H H 1 0.83925672 0.009420951 . . . 494 ALA N . 494 ALA H 51423 1 189 . 1 1 267 267 GLU N N 15 . 1 1 267 267 GLU H H 1 0.839580544 0.011652981 . . . 496 GLU N . 496 GLU H 51423 1 190 . 1 1 270 270 GLN N N 15 . 1 1 270 270 GLN H H 1 0.852462482 0.011110012 . . . 499 GLN N . 499 GLN H 51423 1 191 . 1 1 271 271 GLU N N 15 . 1 1 271 271 GLU H H 1 0.82667109 0.008608083 . . . 500 GLU N . 500 GLU H 51423 1 192 . 1 1 272 272 GLN N N 15 . 1 1 272 272 GLN H H 1 0.869799526 0.011427889 . . . 501 GLN N . 501 GLN H 51423 1 193 . 1 1 273 273 GLY N N 15 . 1 1 273 273 GLY H H 1 0.841209488 0.009464164 . . . 502 GLY N . 502 GLY H 51423 1 194 . 1 1 275 275 LEU N N 15 . 1 1 275 275 LEU H H 1 0.786276715 0.011447443 . . . 504 LEU N . 504 LEU H 51423 1 195 . 1 1 276 276 LYS N N 15 . 1 1 276 276 LYS H H 1 0.676272613 0.010157386 . . . 505 LYS N . 505 LYS H 51423 1 196 . 1 1 277 277 LYS N N 15 . 1 1 277 277 LYS H H 1 0.512880259 0.005819305 . . . 506 LYS N . 506 LYS H 51423 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode heteronucl_T1_relaxation_1 _Heteronucl_T1_list.Entry_ID 51423 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Name 'apo EgtU R1' _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type Sz _Heteronucl_T1_list.T1_val_units s-1 _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID 9 'T1/R1 relaxation' . . . 51423 1 stop_ loop_ _Heteronucl_T1_software.Software_ID _Heteronucl_T1_software.Software_label _Heteronucl_T1_software.Method_ID _Heteronucl_T1_software.Method_label _Heteronucl_T1_software.Entry_ID _Heteronucl_T1_software.Heteronucl_T1_list_ID 1 $software_1 . . 51423 1 2 $software_2 . . 51423 1 3 $software_3 . . 51423 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 4 4 GLU N N 15 0.950570342 0.116562333 . . 233 GLU N 51423 1 2 . 1 1 5 5 LYS N N 15 1.067691651 0.103166874 . . 234 LYS N 51423 1 3 . 1 1 8 8 LEU N N 15 0.877963126 0.024203724 . . 237 LEU N 51423 1 4 . 1 1 9 9 ILE N N 15 0.836820084 0.026119991 . . 238 ILE N 51423 1 5 . 1 1 10 10 ILE N N 15 0.922509225 0.047742405 . . 239 ILE N 51423 1 6 . 1 1 11 11 ALA N N 15 0.916590284 0.045955535 . . 240 ALA N 51423 1 7 . 1 1 12 12 GLY N N 15 0.829187396 0.015401159 . . 241 GLY N 51423 1 8 . 1 1 13 13 LYS N N 15 0.866551127 0.049860481 . . 242 LYS N 51423 1 9 . 1 1 17 17 GLU N N 15 0.82781457 0.032687711 . . 246 GLU N 51423 1 10 . 1 1 19 19 GLU N N 15 0.737463127 0.031652178 . . 248 GLU N 51423 1 11 . 1 1 20 20 ILE N N 15 0.791765637 0.030968506 . . 249 ILE N 51423 1 12 . 1 1 21 21 LEU N N 15 0.863557858 0.027144651 . . 250 LEU N 51423 1 13 . 1 1 22 22 ALA N N 15 0.852514919 0.029216624 . . 251 ALA N 51423 1 14 . 1 1 23 23 ASN N N 15 0.755287009 0.031888628 . . 252 ASN N 51423 1 15 . 1 1 24 24 MET N N 15 0.823723229 0.038879194 . . 253 MET N 51423 1 16 . 1 1 25 25 TYR N N 15 0.822368421 0.034017378 . . 254 TYR N 51423 1 17 . 1 1 26 26 LYS N N 15 0.851788756 0.014728545 . . 255 LYS N 51423 1 18 . 1 1 29 29 ILE N N 15 0.861326443 0.031233284 . . 258 ILE N 51423 1 19 . 1 1 30 30 GLU N N 15 0.820344545 0.0328407 . . 259 GLU N 51423 1 20 . 1 1 31 31 GLU N N 15 0.796812749 0.033205822 . . 260 GLU N 51423 1 21 . 1 1 32 32 ASN N N 15 0.86281277 0.024120046 . . 261 ASN N 51423 1 22 . 1 1 33 33 THR N N 15 0.841042893 0.074979434 . . 262 THR N 51423 1 23 . 1 1 34 34 SER N N 15 0.835421888 0.134700438 . . 263 SER N 51423 1 24 . 1 1 36 36 THR N N 15 0.851788756 0.066242175 . . 265 THR N 51423 1 25 . 1 1 37 37 ALA N N 15 0.874890639 0.031688952 . . 266 ALA N 51423 1 26 . 1 1 38 38 THR N N 15 0.857632933 0.061711323 . . 267 THR N 51423 1 27 . 1 1 39 39 VAL N N 15 0.853970965 0.048860849 . . 268 VAL N 51423 1 28 . 1 1 40 40 LYS N N 15 0.914076782 0.010861973 . . 269 LYS N 51423 1 29 . 1 1 42 42 ASN N N 15 0.852514919 0.035539625 . . 271 ASN N 51423 1 30 . 1 1 43 43 PHE N N 15 0.931966449 0.030920788 . . 272 PHE N 51423 1 31 . 1 1 44 44 GLY N N 15 0.874125874 0.072130667 . . 273 GLY N 51423 1 32 . 1 1 46 46 THR N N 15 0.818330606 0.053640165 . . 275 THR N 51423 1 33 . 1 1 47 47 SER N N 15 0.803212851 0.16773923 . . 276 SER N 51423 1 34 . 1 1 48 48 PHE N N 15 0.801282051 0.051235823 . . 277 PHE N 51423 1 35 . 1 1 50 50 TYR N N 15 0.764525994 0.0497994 . . 279 TYR N 51423 1 36 . 1 1 51 51 GLU N N 15 0.832639467 0.030504693 . . 280 GLU N 51423 1 37 . 1 1 52 52 ALA N N 15 0.776397516 0.051357972 . . 281 ALA N 51423 1 38 . 1 1 53 53 LEU N N 15 0.787401575 0.029326059 . . 282 LEU N 51423 1 39 . 1 1 54 54 LYS N N 15 0.778816199 0.025657263 . . 283 LYS N 51423 1 40 . 1 1 56 56 GLY N N 15 0.782472613 0.028347795 . . 285 GLY N 51423 1 41 . 1 1 57 57 ASP N N 15 0.842459983 0.027041049 . . 286 ASP N 51423 1 42 . 1 1 58 58 ILE N N 15 0.922509225 0.028253973 . . 287 ILE N 51423 1 43 . 1 1 60 60 ILE N N 15 0.891265597 0.022877406 . . 289 ILE N 51423 1 44 . 1 1 61 61 TYR N N 15 0.917431193 0.063041831 . . 290 TYR N 51423 1 45 . 1 1 63 63 GLU N N 15 0.918273646 0.038619773 . . 292 GLU N 51423 1 46 . 1 1 64 64 PHE N N 15 0.913242009 0.062884427 . . 293 PHE N 51423 1 47 . 1 1 65 65 THR N N 15 0.899280576 0.067769525 . . 294 THR N 51423 1 48 . 1 1 66 66 GLY N N 15 0.865051903 0.05260653 . . 295 GLY N 51423 1 49 . 1 1 67 67 THR N N 15 0.916590284 0.053264733 . . 296 THR N 51423 1 50 . 1 1 69 69 THR N N 15 0.904159132 0.043000697 . . 298 THR N 51423 1 51 . 1 1 71 71 SER N N 15 0.921658986 0.044426511 . . 300 SER N 51423 1 52 . 1 1 72 72 LEU N N 15 0.86281277 0.023450045 . . 301 LEU N 51423 1 53 . 1 1 73 73 LEU N N 15 0.809061489 0.041500403 . . 302 LEU N 51423 1 54 . 1 1 74 74 GLN N N 15 0.749625187 0.011182565 . . 303 GLN N 51423 1 55 . 1 1 76 76 SER N N 15 0.811688312 0.053497639 . . 305 SER N 51423 1 56 . 1 1 79 79 VAL N N 15 0.860585198 0.041473985 . . 308 VAL N 51423 1 57 . 1 1 81 81 HIS N N 15 0.847457627 0.110600402 . . 310 HIS N 51423 1 58 . 1 1 84 84 GLU N N 15 0.837520938 0.054501991 . . 313 GLU N 51423 1 59 . 1 1 85 85 GLN N N 15 0.770416025 0.070631361 . . 314 GLN N 51423 1 60 . 1 1 86 86 VAL N N 15 0.821018062 0.055813051 . . 315 VAL N 51423 1 61 . 1 1 90 90 ALA N N 15 0.852514919 0.034231417 . . 319 ALA N 51423 1 62 . 1 1 91 91 ARG N N 15 0.816993464 0.042451621 . . 320 ARG N 51423 1 63 . 1 1 92 92 ASP N N 15 0.803212851 0.042386413 . . 321 ASP N 51423 1 64 . 1 1 93 93 GLY N N 15 0.850340136 0.027187746 . . 322 GLY N 51423 1 65 . 1 1 94 94 ILE N N 15 0.940733772 0.046284456 . . 323 ILE N 51423 1 66 . 1 1 95 95 ALA N N 15 0.874125874 0.014899873 . . 324 ALA N 51423 1 67 . 1 1 96 96 LYS N N 15 0.760456274 0.051005508 . . 325 LYS N 51423 1 68 . 1 1 97 97 GLN N N 15 0.805801773 0.042530231 . . 326 GLN N 51423 1 69 . 1 1 98 98 ASP N N 15 0.846740051 0.036637101 . . 327 ASP N 51423 1 70 . 1 1 99 99 HIS N N 15 0.898472597 0.019454797 . . 328 HIS N 51423 1 71 . 1 1 101 101 ALA N N 15 0.872600349 0.023985088 . . 330 ALA N 51423 1 72 . 1 1 102 102 TYR N N 15 0.867302689 0.065066507 . . 331 TYR N 51423 1 73 . 1 1 103 103 LEU N N 15 0.956937799 0.04770953 . . 332 LEU N 51423 1 74 . 1 1 104 104 LYS N N 15 0.777000777 0.042925218 . . 333 LYS N 51423 1 75 . 1 1 107 107 SER N N 15 0.878734622 0.057527003 . . 336 SER N 51423 1 76 . 1 1 108 108 TYR N N 15 0.81366965 0.046542698 . . 337 TYR N 51423 1 77 . 1 1 110 110 ASN N N 15 0.831946755 0.063676457 . . 339 ASN N 51423 1 78 . 1 1 112 112 TYR N N 15 0.860585198 0.052434967 . . 341 TYR N 51423 1 79 . 1 1 113 113 ALA N N 15 0.892857143 0.042091837 . . 342 ALA N 51423 1 80 . 1 1 114 114 VAL N N 15 0.853970965 0.023190672 . . 343 VAL N 51423 1 81 . 1 1 115 115 ALA N N 15 0.954198473 0.023946011 . . 344 ALA N 51423 1 82 . 1 1 116 116 VAL N N 15 0.835421888 0.018564931 . . 345 VAL N 51423 1 83 . 1 1 118 118 LYS N N 15 0.892857143 0.034438776 . . 347 LYS N 51423 1 84 . 1 1 119 119 LYS N N 15 0.895255148 0.073255435 . . 348 LYS N 51423 1 85 . 1 1 120 120 ILE N N 15 0.844594595 0.030673621 . . 349 ILE N 51423 1 86 . 1 1 122 122 GLN N N 15 0.912408759 0.021727982 . . 351 GLN N 51423 1 87 . 1 1 124 124 TYR N N 15 0.868055556 0.014166184 . . 353 TYR N 51423 1 88 . 1 1 125 125 GLY N N 15 0.853970965 0.018815073 . . 354 GLY N 51423 1 89 . 1 1 126 126 LEU N N 15 0.894454383 0.013360812 . . 355 LEU N 51423 1 90 . 1 1 127 127 LYS N N 15 0.838222967 0.010750051 . . 356 LYS N 51423 1 91 . 1 1 128 128 THR N N 15 0.793650794 0.019022424 . . 357 THR N 51423 1 92 . 1 1 131 131 ASP N N 15 0.751314801 0.045157914 . . 360 ASP N 51423 1 93 . 1 1 132 132 LEU N N 15 0.874890639 0.022580292 . . 361 LEU N 51423 1 94 . 1 1 133 133 LYS N N 15 0.846740051 0.031546623 . . 362 LYS N 51423 1 95 . 1 1 134 134 LYS N N 15 0.847457627 0.013717323 . . 363 LYS N 51423 1 96 . 1 1 135 135 VAL N N 15 0.818330606 0.013995998 . . 364 VAL N 51423 1 97 . 1 1 136 136 GLU N N 15 0.923361034 0.047063277 . . 365 GLU N 51423 1 98 . 1 1 137 137 GLY N N 15 0.856898029 0.044937583 . . 366 GLY N 51423 1 99 . 1 1 140 140 LYS N N 15 0.891265597 0.005878222 . . 369 LYS N 51423 1 100 . 1 1 141 141 ALA N N 15 0.838222967 0.034498531 . . 370 ALA N 51423 1 101 . 1 1 142 142 GLY N N 15 0.853970965 0.024211645 . . 371 GLY N 51423 1 102 . 1 1 144 144 THR N N 15 0.894454383 0.030801873 . . 373 THR N 51423 1 103 . 1 1 146 146 GLU N N 15 0.894454383 0.033202019 . . 375 GLU N 51423 1 104 . 1 1 147 147 PHE N N 15 0.885739593 0.045659915 . . 376 PHE N 51423 1 105 . 1 1 149 149 ASP N N 15 0.910746812 0.0391505 . . 378 ASP N 51423 1 106 . 1 1 150 150 ARG N N 15 0.845308538 0.053662444 . . 379 ARG N 51423 1 107 . 1 1 151 151 GLU N N 15 0.881057269 0.034698907 . . 380 GLU N 51423 1 108 . 1 1 152 152 ASP N N 15 0.975609756 0.042070196 . . 381 ASP N 51423 1 109 . 1 1 153 153 GLY N N 15 1.026694045 0.030252689 . . 382 GLY N 51423 1 110 . 1 1 154 154 ASN N N 15 0.982318271 0.036571574 . . 383 ASN N 51423 1 111 . 1 1 155 155 LYS N N 15 0.901713255 0.045207626 . . 384 LYS N 51423 1 112 . 1 1 157 157 LEU N N 15 0.958772771 0.035390941 . . 386 LEU N 51423 1 113 . 1 1 159 159 SER N N 15 0.861326443 0.044216241 . . 388 SER N 51423 1 114 . 1 1 161 161 TYR N N 15 0.914076782 0.052221023 . . 390 TYR N 51423 1 115 . 1 1 163 163 LEU N N 15 0.797448166 0.031923364 . . 392 LEU N 51423 1 116 . 1 1 164 164 ASN N N 15 0.896860987 0.018822015 . . 393 ASN N 51423 1 117 . 1 1 166 166 ASN N N 15 0.957854406 0.027065809 . . 395 ASN N 51423 1 118 . 1 1 167 167 VAL N N 15 0.806451613 0.022112383 . . 396 VAL N 51423 1 119 . 1 1 168 168 ALA N N 15 0.854700855 0.033603623 . . 397 ALA N 51423 1 120 . 1 1 174 174 LEU N N 15 0.888888889 0.040375309 . . 403 LEU N 51423 1 121 . 1 1 175 175 ARG N N 15 0.874890639 0.039649462 . . 404 ARG N 51423 1 122 . 1 1 176 176 TYR N N 15 0.884955752 0.025295638 . . 405 TYR N 51423 1 123 . 1 1 178 178 ALA N N 15 0.862068966 0.028165874 . . 407 ALA N 51423 1 124 . 1 1 179 179 ILE N N 15 0.841042893 0.025464713 . . 408 ILE N 51423 1 125 . 1 1 181 181 SER N N 15 0.862068966 0.033368014 . . 410 SER N 51423 1 126 . 1 1 183 183 ASP N N 15 0.831255195 0.05368955 . . 412 ASP N 51423 1 127 . 1 1 184 184 ILE N N 15 0.842459983 0.013768933 . . 413 ILE N 51423 1 128 . 1 1 186 186 ILE N N 15 0.844594595 0.016335487 . . 415 ILE N 51423 1 129 . 1 1 187 187 THR N N 15 0.926784059 0.018466967 . . 416 THR N 51423 1 130 . 1 1 188 188 ASP N N 15 0.909918107 0.059198494 . . 417 ASP N 51423 1 131 . 1 1 189 189 ALA N N 15 0.881057269 0.059772167 . . 418 ALA N 51423 1 132 . 1 1 190 190 TYR N N 15 0.861326443 0.019437341 . . 419 TYR N 51423 1 133 . 1 1 191 191 SER N N 15 0.895255148 0.054821354 . . 420 SER N 51423 1 134 . 1 1 192 192 THR N N 15 0.923361034 0.031716556 . . 421 THR N 51423 1 135 . 1 1 193 193 ASP N N 15 0.871080139 0.031717029 . . 422 ASP N 51423 1 136 . 1 1 194 194 ALA N N 15 0.937207123 0.023012958 . . 423 ALA N 51423 1 137 . 1 1 195 195 GLU N N 15 0.92936803 0.03498086 . . 424 GLU N 51423 1 138 . 1 1 197 197 GLU N N 15 0.849617672 0.034648809 . . 426 GLU N 51423 1 139 . 1 1 199 199 TYR N N 15 0.887311446 0.042200438 . . 428 TYR N 51423 1 140 . 1 1 200 200 ASP N N 15 0.786163522 0.035229026 . . 429 ASP N 51423 1 141 . 1 1 201 201 LEU N N 15 0.84317032 0.034622592 . . 430 LEU N 51423 1 142 . 1 1 202 202 GLN N N 15 0.780031201 0.025007241 . . 431 GLN N 51423 1 143 . 1 1 204 204 LEU N N 15 0.979431929 0.039906335 . . 433 LEU N 51423 1 144 . 1 1 205 205 GLU N N 15 0.886524823 0.026564308 . . 434 GLU N 51423 1 145 . 1 1 206 206 ASP N N 15 0.761035008 0.039847191 . . 435 ASP N 51423 1 146 . 1 1 207 207 ASP N N 15 0.801282051 0.033643573 . . 436 ASP N 51423 1 147 . 1 1 210 210 LEU N N 15 0.909090909 0.038677686 . . 439 LEU N 51423 1 148 . 1 1 211 211 PHE N N 15 0.946969697 0.042775052 . . 440 PHE N 51423 1 149 . 1 1 216 216 GLY N N 15 0.839630563 0.058936285 . . 445 GLY N 51423 1 150 . 1 1 217 217 ALA N N 15 0.898472597 0.052632896 . . 446 ALA N 51423 1 151 . 1 1 219 219 LEU N N 15 0.928505107 0.041899116 . . 448 LEU N 51423 1 152 . 1 1 221 221 LYS N N 15 0.854700855 0.049163562 . . 450 LYS N 51423 1 153 . 1 1 223 223 ALA N N 15 0.886524823 0.10924375 . . 452 ALA N 51423 1 154 . 1 1 224 224 LEU N N 15 0.829875519 0.033883714 . . 453 LEU N 51423 1 155 . 1 1 225 225 LEU N N 15 0.88028169 0.035722699 . . 454 LEU N 51423 1 156 . 1 1 227 227 LYS N N 15 0.829187396 0.03362128 . . 456 LYS N 51423 1 157 . 1 1 228 228 HIS N N 15 0.809061489 0.032925399 . . 457 HIS N 51423 1 158 . 1 1 230 230 GLU N N 15 0.845308538 0.025437856 . . 459 GLU N 51423 1 159 . 1 1 231 231 LEU N N 15 0.844594595 0.041231054 . . 460 LEU N 51423 1 160 . 1 1 232 232 GLU N N 15 0.791765637 0.025765295 . . 461 GLU N 51423 1 161 . 1 1 233 233 ARG N N 15 0.780640125 0.020292987 . . 462 ARG N 51423 1 162 . 1 1 235 235 LEU N N 15 0.824402308 0.037719974 . . 464 LEU N 51423 1 163 . 1 1 236 236 ASN N N 15 0.747943156 0.076080979 . . 465 ASN N 51423 1 164 . 1 1 237 237 THR N N 15 0.815660685 0.05076257 . . 466 THR N 51423 1 165 . 1 1 239 239 ALA N N 15 0.74682599 0.049137692 . . 468 ALA N 51423 1 166 . 1 1 240 240 GLY N N 15 0.922509225 0.068677578 . . 469 GLY N 51423 1 167 . 1 1 241 241 LYS N N 15 0.867302689 0.024973503 . . 470 LYS N 51423 1 168 . 1 1 242 242 ILE N N 15 0.905797101 0.030767565 . . 471 ILE N 51423 1 169 . 1 1 243 243 THR N N 15 0.891265597 0.049647148 . . 472 THR N 51423 1 170 . 1 1 244 244 GLU N N 15 0.883392226 0.037614404 . . 473 GLU N 51423 1 171 . 1 1 245 245 SER N N 15 0.946969697 0.08393595 . . 474 SER N 51423 1 172 . 1 1 246 246 GLN N N 15 0.917431193 0.043009848 . . 475 GLN N 51423 1 173 . 1 1 248 248 SER N N 15 0.925925926 0.049554184 . . 477 SER N 51423 1 174 . 1 1 250 250 LEU N N 15 0.919963201 0.029283097 . . 479 LEU N 51423 1 175 . 1 1 251 251 ASN N N 15 0.931098696 0.036671764 . . 480 ASN N 51423 1 176 . 1 1 252 252 TYR N N 15 0.964320154 0.042497041 . . 481 TYR N 51423 1 177 . 1 1 253 253 GLN N N 15 0.946969697 0.03057923 . . 482 GLN N 51423 1 178 . 1 1 255 255 GLY N N 15 0.936329588 0.021041114 . . 484 GLY N 51423 1 179 . 1 1 256 256 VAL N N 15 0.886524823 0.020669861 . . 485 VAL N 51423 1 180 . 1 1 257 257 GLU N N 15 0.891265597 0.012391928 . . 486 GLU N 51423 1 181 . 1 1 258 258 GLY N N 15 0.846740051 0.042372851 . . 487 GLY N 51423 1 182 . 1 1 259 259 LYS N N 15 0.833333333 0.023333333 . . 488 LYS N 51423 1 183 . 1 1 260 260 SER N N 15 0.834724541 0.024386777 . . 489 SER N 51423 1 184 . 1 1 261 261 ALA N N 15 0.964320154 0.029850219 . . 490 ALA N 51423 1 185 . 1 1 262 262 LYS N N 15 0.938967136 0.050871741 . . 491 LYS N 51423 1 186 . 1 1 263 263 GLN N N 15 0.896860987 0.051076836 . . 492 GLN N 51423 1 187 . 1 1 264 264 VAL N N 15 0.919963201 0.012017919 . . 493 VAL N 51423 1 188 . 1 1 265 265 ALA N N 15 0.965250965 0.040436189 . . 494 ALA N 51423 1 189 . 1 1 267 267 GLU N N 15 0.927643785 0.026762265 . . 496 GLU N 51423 1 190 . 1 1 270 270 GLN N N 15 0.951474786 0.018377677 . . 499 GLN N 51423 1 191 . 1 1 271 271 GLU N N 15 0.918273646 0.017960724 . . 500 GLU N 51423 1 192 . 1 1 272 272 GLN N N 15 0.92506938 0.02036693 . . 501 GLN N 51423 1 193 . 1 1 273 273 GLY N N 15 0.903342367 0.035578796 . . 502 GLY N 51423 1 194 . 1 1 275 275 LEU N N 15 0.779423227 0.017131516 . . 504 LEU N 51423 1 195 . 1 1 276 276 LYS N N 15 0.947867299 0.02246131 . . 505 LYS N 51423 1 196 . 1 1 277 277 LYS N N 15 1.029972191 0.011351017 . . 506 LYS N 51423 1 stop_ save_ ######################################## # Heteronuclear T2 relaxation values # ######################################## save_heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Sf_category heteronucl_T2_relaxation _Heteronucl_T2_list.Sf_framecode heteronucl_T2_relaxation_1 _Heteronucl_T2_list.Entry_ID 51423 _Heteronucl_T2_list.ID 1 _Heteronucl_T2_list.Name 'apo EgtU R2' _Heteronucl_T2_list.Sample_condition_list_ID 1 _Heteronucl_T2_list.Sample_condition_list_label $sample_conditions_1 _Heteronucl_T2_list.Temp_calibration_method methanol _Heteronucl_T2_list.Temp_control_method 'single scan interleaving' _Heteronucl_T2_list.Spectrometer_frequency_1H 600 _Heteronucl_T2_list.T2_coherence_type S(+,-) _Heteronucl_T2_list.T2_val_units s-1 _Heteronucl_T2_list.Rex_units . _Heteronucl_T2_list.Details . _Heteronucl_T2_list.Text_data_format . _Heteronucl_T2_list.Text_data . loop_ _Heteronucl_T2_experiment.Experiment_ID _Heteronucl_T2_experiment.Experiment_name _Heteronucl_T2_experiment.Sample_ID _Heteronucl_T2_experiment.Sample_label _Heteronucl_T2_experiment.Sample_state _Heteronucl_T2_experiment.Entry_ID _Heteronucl_T2_experiment.Heteronucl_T2_list_ID 10 'T2/R2 relaxation' . . . 51423 1 stop_ loop_ _Heteronucl_T2_software.Software_ID _Heteronucl_T2_software.Software_label _Heteronucl_T2_software.Method_ID _Heteronucl_T2_software.Method_label _Heteronucl_T2_software.Entry_ID _Heteronucl_T2_software.Heteronucl_T2_list_ID 1 $software_1 . . 51423 1 2 $software_2 . . 51423 1 3 $software_3 . . 51423 1 stop_ loop_ _T2.ID _T2.Assembly_atom_ID _T2.Entity_assembly_ID _T2.Entity_ID _T2.Comp_index_ID _T2.Seq_ID _T2.Comp_ID _T2.Atom_ID _T2.Atom_type _T2.Atom_isotope_number _T2.T2_val _T2.T2_val_err _T2.Rex_val _T2.Rex_err _T2.Resonance_ID _T2.Auth_entity_assembly_ID _T2.Auth_seq_ID _T2.Auth_comp_ID _T2.Auth_atom_ID _T2.Entry_ID _T2.Heteronucl_T2_list_ID 1 . 1 1 4 4 GLU N N 15 3.581661891 0.068631415 . . . . 233 GLU N 51423 1 2 . 1 1 5 5 LYS N N 15 5.385029618 0.032188384 . . . . 234 LYS N 51423 1 3 . 1 1 8 8 LEU N N 15 15.75547503 0.142735121 . . . . 237 LEU N 51423 1 4 . 1 1 9 9 ILE N N 15 15.49186677 0.209758196 . . . . 238 ILE N 51423 1 5 . 1 1 10 10 ILE N N 15 16.41766541 0.350401659 . . . . 239 ILE N 51423 1 6 . 1 1 11 11 ALA N N 15 16.63893511 0.096622102 . . . . 240 ALA N 51423 1 7 . 1 1 12 12 GLY N N 15 14.09840688 0.550579262 . . . . 241 GLY N 51423 1 8 . 1 1 13 13 LYS N N 15 16.47717911 0.196835638 . . . . 242 LYS N 51423 1 9 . 1 1 17 17 GLU N N 15 18.4501845 0.092250923 . . . . 246 GLU N 51423 1 10 . 1 1 19 19 GLU N N 15 20.20610224 0.052260681 . . . . 248 GLU N 51423 1 11 . 1 1 20 20 ILE N N 15 18.86792453 0.33748665 . . . . 249 ILE N 51423 1 12 . 1 1 21 21 LEU N N 15 18.43317972 0.35677122 . . . . 250 LEU N 51423 1 13 . 1 1 22 22 ALA N N 15 19.53888238 0.077498889 . . . . 251 ALA N 51423 1 14 . 1 1 23 23 ASN N N 15 20.18570852 0.1556508 . . . . 252 ASN N 51423 1 15 . 1 1 24 24 MET N N 15 18.99335233 0.163418587 . . . . 253 MET N 51423 1 16 . 1 1 25 25 TYR N N 15 18.97173212 0.154048593 . . . . 254 TYR N 51423 1 17 . 1 1 26 26 LYS N N 15 19.26782274 0.250964319 . . . . 255 LYS N 51423 1 18 . 1 1 29 29 ILE N N 15 19.50078003 0.28825256 . . . . 258 ILE N 51423 1 19 . 1 1 30 30 GLU N N 15 20.17756255 0.176289035 . . . . 259 GLU N 51423 1 20 . 1 1 31 31 GLU N N 15 20.32107295 0.071026713 . . . . 260 GLU N 51423 1 21 . 1 1 32 32 ASN N N 15 17.31901628 0.268153802 . . . . 261 ASN N 51423 1 22 . 1 1 33 33 THR N N 15 16.46361541 0.072099468 . . . . 262 THR N 51423 1 23 . 1 1 34 34 SER N N 15 16.41497045 0.336814069 . . . . 263 SER N 51423 1 24 . 1 1 36 36 THR N N 15 16.66666667 0.276666667 . . . . 265 THR N 51423 1 25 . 1 1 37 37 ALA N N 15 15.94387755 0.057450834 . . . . 266 ALA N 51423 1 26 . 1 1 38 38 THR N N 15 15.51109043 0.109470236 . . . . 267 THR N 51423 1 27 . 1 1 39 39 VAL N N 15 16.07200257 0.189082383 . . . . 268 VAL N 51423 1 28 . 1 1 40 40 LYS N N 15 15.7803377 0.241548486 . . . . 269 LYS N 51423 1 29 . 1 1 42 42 ASN N N 15 16.23640201 0.12996503 . . . . 271 ASN N 51423 1 30 . 1 1 43 43 PHE N N 15 17.73678609 0.030798712 . . . . 272 PHE N 51423 1 31 . 1 1 44 44 GLY N N 15 15.44401544 0.224206556 . . . . 273 GLY N 51423 1 32 . 1 1 46 46 THR N N 15 19.26411096 0.169224323 . . . . 275 THR N 51423 1 33 . 1 1 47 47 SER N N 15 19.3986421 0.354105184 . . . . 276 SER N 51423 1 34 . 1 1 48 48 PHE N N 15 18.96813354 0.08203214 . . . . 277 PHE N 51423 1 35 . 1 1 50 50 TYR N N 15 19.09490166 0.37919988 . . . . 279 TYR N 51423 1 36 . 1 1 51 51 GLU N N 15 20.25931929 0.123542445 . . . . 280 GLU N 51423 1 37 . 1 1 52 52 ALA N N 15 19.52743605 0.080840001 . . . . 281 ALA N 51423 1 38 . 1 1 53 53 LEU N N 15 20.64835846 0.179068977 . . . . 282 LEU N 51423 1 39 . 1 1 54 54 LYS N N 15 19.9920032 0.139088707 . . . . 283 LYS N 51423 1 40 . 1 1 56 56 GLY N N 15 18.74062969 0.148562338 . . . . 285 GLY N 51423 1 41 . 1 1 57 57 ASP N N 15 17.00969553 0.241879664 . . . . 286 ASP N 51423 1 42 . 1 1 58 58 ILE N N 15 16.04878832 0.430131223 . . . . 287 ILE N 51423 1 43 . 1 1 60 60 ILE N N 15 16.97792869 0.071486016 . . . . 289 ILE N 51423 1 44 . 1 1 61 61 TYR N N 15 16.7196121 0.224754525 . . . . 290 TYR N 51423 1 45 . 1 1 63 63 GLU N N 15 17.17032967 0.113800605 . . . . 292 GLU N 51423 1 46 . 1 1 64 64 PHE N N 15 15.09661836 0.156116902 . . . . 293 PHE N 51423 1 47 . 1 1 65 65 THR N N 15 16.76727029 0.172339649 . . . . 294 THR N 51423 1 48 . 1 1 66 66 GLY N N 15 17.20578114 0.256073653 . . . . 295 GLY N 51423 1 49 . 1 1 67 67 THR N N 15 16.46090535 0.125726092 . . . . 296 THR N 51423 1 50 . 1 1 69 69 THR N N 15 16.51800463 0.346512486 . . . . 298 THR N 51423 1 51 . 1 1 71 71 SER N N 15 15.28117359 0.112787391 . . . . 300 SER N 51423 1 52 . 1 1 72 72 LEU N N 15 17.11449598 0.138544525 . . . . 301 LEU N 51423 1 53 . 1 1 73 73 LEU N N 15 17.63357433 0.184389165 . . . . 302 LEU N 51423 1 54 . 1 1 74 74 GLN N N 15 16.01794009 0.292494821 . . . . 303 GLN N 51423 1 55 . 1 1 76 76 SER N N 15 15.3704273 0.109147516 . . . . 305 SER N 51423 1 56 . 1 1 79 79 VAL N N 15 11.21453404 0.049048652 . . . . 308 VAL N 51423 1 57 . 1 1 81 81 HIS N N 15 15.56420233 0.254356614 . . . . 310 HIS N 51423 1 58 . 1 1 84 84 GLU N N 15 18.74414246 0.143347894 . . . . 313 GLU N 51423 1 59 . 1 1 85 85 GLN N N 15 18.73009927 0.117172751 . . . . 314 GLN N 51423 1 60 . 1 1 86 86 VAL N N 15 18.92505678 0.115326803 . . . . 315 VAL N 51423 1 61 . 1 1 90 90 ALA N N 15 17.59324419 0.167451533 . . . . 319 ALA N 51423 1 62 . 1 1 91 91 ARG N N 15 19.19754271 0.149260987 . . . . 320 ARG N 51423 1 63 . 1 1 92 92 ASP N N 15 20.3998368 0.367463401 . . . . 321 ASP N 51423 1 64 . 1 1 93 93 GLY N N 15 18.31837333 0.102682217 . . . . 322 GLY N 51423 1 65 . 1 1 94 94 ILE N N 15 17.49169145 0.133398242 . . . . 323 ILE N 51423 1 66 . 1 1 95 95 ALA N N 15 19.59247649 0.29826321 . . . . 324 ALA N 51423 1 67 . 1 1 96 96 LYS N N 15 19.31993818 0.134373604 . . . . 325 LYS N 51423 1 68 . 1 1 97 97 GLN N N 15 18.97533207 0.106218652 . . . . 326 GLN N 51423 1 69 . 1 1 98 98 ASP N N 15 17.49781277 0.123081728 . . . . 327 ASP N 51423 1 70 . 1 1 99 99 HIS N N 15 18.7090739 0.168714193 . . . . 328 HIS N 51423 1 71 . 1 1 101 101 ALA N N 15 16.73080141 0.077537761 . . . . 330 ALA N 51423 1 72 . 1 1 102 102 TYR N N 15 16.35590448 0.074636856 . . . . 331 TYR N 51423 1 73 . 1 1 103 103 LEU N N 15 16.44736842 0.348965547 . . . . 332 LEU N 51423 1 74 . 1 1 104 104 LYS N N 15 18.15211472 0.150581166 . . . . 333 LYS N 51423 1 75 . 1 1 107 107 SER N N 15 16.86909582 0.137161002 . . . . 336 SER N 51423 1 76 . 1 1 108 108 TYR N N 15 18.13894431 0.20498027 . . . . 337 TYR N 51423 1 77 . 1 1 110 110 ASN N N 15 15.91343094 0.139027269 . . . . 339 ASN N 51423 1 78 . 1 1 112 112 TYR N N 15 16.50165017 0.14595519 . . . . 341 TYR N 51423 1 79 . 1 1 113 113 ALA N N 15 16.18908855 0.095137432 . . . . 342 ALA N 51423 1 80 . 1 1 114 114 VAL N N 15 16.05909748 0.047194714 . . . . 343 VAL N 51423 1 81 . 1 1 115 115 ALA N N 15 16.01794009 0.330980982 . . . . 344 ALA N 51423 1 82 . 1 1 116 116 VAL N N 15 17.40341107 0.11327664 . . . . 345 VAL N 51423 1 83 . 1 1 118 118 LYS N N 15 17.43679163 0.070841717 . . . . 347 LYS N 51423 1 84 . 1 1 119 119 LYS N N 15 17.19690456 0.097592064 . . . . 348 LYS N 51423 1 85 . 1 1 120 120 ILE N N 15 17.88588803 0.135319811 . . . . 349 ILE N 51423 1 86 . 1 1 122 122 GLN N N 15 16.88903901 0.031091121 . . . . 351 GLN N 51423 1 87 . 1 1 124 124 TYR N N 15 17.19394773 0.107018726 . . . . 353 TYR N 51423 1 88 . 1 1 125 125 GLY N N 15 15.50147264 0.295563654 . . . . 354 GLY N 51423 1 89 . 1 1 126 126 LEU N N 15 16.19695497 0.072406213 . . . . 355 LEU N 51423 1 90 . 1 1 127 127 LYS N N 15 16.34253963 0.129266043 . . . . 356 LYS N 51423 1 91 . 1 1 128 128 THR N N 15 18.3722212 0.2085988 . . . . 357 THR N 51423 1 92 . 1 1 131 131 ASP N N 15 20.06018054 0.179475236 . . . . 360 ASP N 51423 1 93 . 1 1 132 132 LEU N N 15 20.31281739 0.068493351 . . . . 361 LEU N 51423 1 94 . 1 1 133 133 LYS N N 15 19.87281399 0.108210474 . . . . 362 LYS N 51423 1 95 . 1 1 134 134 LYS N N 15 19.31993818 0.134746864 . . . . 363 LYS N 51423 1 96 . 1 1 135 135 VAL N N 15 19.1828122 0.276721174 . . . . 364 VAL N 51423 1 97 . 1 1 136 136 GLU N N 15 14.94991778 0.075543014 . . . . 365 GLU N 51423 1 98 . 1 1 137 137 GLY N N 15 15.25087693 0.37679458 . . . . 366 GLY N 51423 1 99 . 1 1 140 140 LYS N N 15 14.97230124 0.10311811 . . . . 369 LYS N 51423 1 100 . 1 1 141 141 ALA N N 15 18.90359168 0.195468141 . . . . 370 ALA N 51423 1 101 . 1 1 142 142 GLY N N 15 17.1762281 0.153116839 . . . . 371 GLY N 51423 1 102 . 1 1 144 144 THR N N 15 16.61681622 0.065992341 . . . . 373 THR N 51423 1 103 . 1 1 146 146 GLU N N 15 17.37317582 0.045575913 . . . . 375 GLU N 51423 1 104 . 1 1 147 147 PHE N N 15 16.92620176 0.054147802 . . . . 376 PHE N 51423 1 105 . 1 1 149 149 ASP N N 15 17.61493747 0.079122936 . . . . 378 ASP N 51423 1 106 . 1 1 150 150 ARG N N 15 15.1194436 0.058292382 . . . . 379 ARG N 51423 1 107 . 1 1 151 151 GLU N N 15 17.73678609 0.163588662 . . . . 380 GLU N 51423 1 108 . 1 1 152 152 ASP N N 15 15.93879503 0.103650436 . . . . 381 ASP N 51423 1 109 . 1 1 153 153 GLY N N 15 10.93972213 0.115967517 . . . . 382 GLY N 51423 1 110 . 1 1 154 154 ASN N N 15 18.14882033 0.106719016 . . . . 383 ASN N 51423 1 111 . 1 1 155 155 LYS N N 15 18.76876877 0.235314143 . . . . 384 LYS N 51423 1 112 . 1 1 157 157 LEU N N 15 16.46903821 0.11825594 . . . . 386 LEU N 51423 1 113 . 1 1 159 159 SER N N 15 16.60302175 0.049343199 . . . . 388 SER N 51423 1 114 . 1 1 161 161 TYR N N 15 15.2975371 0.130346155 . . . . 390 TYR N 51423 1 115 . 1 1 163 163 LEU N N 15 19.41747573 0.22584598 . . . . 392 LEU N 51423 1 116 . 1 1 164 164 ASN N N 15 14.46131598 0.142208169 . . . . 393 ASN N 51423 1 117 . 1 1 166 166 ASN N N 15 14.41961067 0.05426847 . . . . 395 ASN N 51423 1 118 . 1 1 167 167 VAL N N 15 15.05117399 0.183042574 . . . . 396 VAL N 51423 1 119 . 1 1 168 168 ALA N N 15 16.31853786 0.098262736 . . . . 397 ALA N 51423 1 120 . 1 1 174 174 LEU N N 15 15.55451859 0.056130787 . . . . 403 LEU N 51423 1 121 . 1 1 175 175 ARG N N 15 18.70207593 0.08604284 . . . . 404 ARG N 51423 1 122 . 1 1 176 176 TYR N N 15 17.24137931 0.21313912 . . . . 405 TYR N 51423 1 123 . 1 1 178 178 ALA N N 15 16.38001638 0.231815465 . . . . 407 ALA N 51423 1 124 . 1 1 179 179 ILE N N 15 17.56234633 0.094072983 . . . . 408 ILE N 51423 1 125 . 1 1 181 181 SER N N 15 15.86546089 0.21999703 . . . . 410 SER N 51423 1 126 . 1 1 183 183 ASP N N 15 17.56543123 0.184200991 . . . . 412 ASP N 51423 1 127 . 1 1 184 184 ILE N N 15 16.69449082 0.120401002 . . . . 413 ILE N 51423 1 128 . 1 1 186 186 ILE N N 15 17.1203561 0.174105316 . . . . 415 ILE N 51423 1 129 . 1 1 187 187 THR N N 15 17.27414061 0.151286738 . . . . 416 THR N 51423 1 130 . 1 1 188 188 ASP N N 15 16.72240803 0.016834264 . . . . 417 ASP N 51423 1 131 . 1 1 189 189 ALA N N 15 15.30690341 0.062324144 . . . . 418 ALA N 51423 1 132 . 1 1 190 190 TYR N N 15 15.1998784 0.112052607 . . . . 419 TYR N 51423 1 133 . 1 1 191 191 SER N N 15 16.47717911 0.073032809 . . . . 420 SER N 51423 1 134 . 1 1 192 192 THR N N 15 16.52892562 0.192609794 . . . . 421 THR N 51423 1 135 . 1 1 193 193 ASP N N 15 18.04728388 0.132561713 . . . . 422 ASP N 51423 1 136 . 1 1 194 194 ALA N N 15 16.91474966 0.164798644 . . . . 423 ALA N 51423 1 137 . 1 1 195 195 GLU N N 15 17.40644038 0.143008527 . . . . 424 GLU N 51423 1 138 . 1 1 197 197 GLU N N 15 17.47640685 0.32985878 . . . . 426 GLU N 51423 1 139 . 1 1 199 199 TYR N N 15 15.10802236 0.068019197 . . . . 428 TYR N 51423 1 140 . 1 1 200 200 ASP N N 15 19.30501931 0.226219049 . . . . 429 ASP N 51423 1 141 . 1 1 201 201 LEU N N 15 19.3162063 0.052982447 . . . . 430 LEU N 51423 1 142 . 1 1 202 202 GLN N N 15 17.97914419 0.093419142 . . . . 431 GLN N 51423 1 143 . 1 1 204 204 LEU N N 15 17.07650273 0.168548815 . . . . 433 LEU N 51423 1 144 . 1 1 205 205 GLU N N 15 16.39881929 0.136612007 . . . . 434 GLU N 51423 1 145 . 1 1 206 206 ASP N N 15 17.42160279 0.239167648 . . . . 435 ASP N 51423 1 146 . 1 1 207 207 ASP N N 15 18.25150575 0.20086983 . . . . 436 ASP N 51423 1 147 . 1 1 210 210 LEU N N 15 17.54693806 0.196129137 . . . . 439 LEU N 51423 1 148 . 1 1 211 211 PHE N N 15 16.66666667 0.104444444 . . . . 440 PHE N 51423 1 149 . 1 1 216 216 GLY N N 15 17.62735766 0.131125417 . . . . 445 GLY N 51423 1 150 . 1 1 217 217 ALA N N 15 15.92863969 0.096667915 . . . . 446 ALA N 51423 1 151 . 1 1 219 219 LEU N N 15 17.00102006 0.151454174 . . . . 448 LEU N 51423 1 152 . 1 1 221 221 LYS N N 15 16.62510391 0.22222084 . . . . 450 LYS N 51423 1 153 . 1 1 223 223 ALA N N 15 18.4501845 0.507209869 . . . . 452 ALA N 51423 1 154 . 1 1 224 224 LEU N N 15 19.30874686 0.06338071 . . . . 453 LEU N 51423 1 155 . 1 1 225 225 LEU N N 15 17.90510295 0.151960945 . . . . 454 LEU N 51423 1 156 . 1 1 227 227 LYS N N 15 18.35535977 0.049190208 . . . . 456 LYS N 51423 1 157 . 1 1 228 228 HIS N N 15 17.35809755 0.065081567 . . . . 457 HIS N 51423 1 158 . 1 1 230 230 GLU N N 15 18.77581675 0.105759388 . . . . 459 GLU N 51423 1 159 . 1 1 231 231 LEU N N 15 19.77848101 0.252707649 . . . . 460 LEU N 51423 1 160 . 1 1 232 232 GLU N N 15 20.74258453 0.059805419 . . . . 461 GLU N 51423 1 161 . 1 1 233 233 ARG N N 15 18.80052641 0.080235373 . . . . 462 ARG N 51423 1 162 . 1 1 235 235 LEU N N 15 19.1424196 0.112128262 . . . . 464 LEU N 51423 1 163 . 1 1 236 236 ASN N N 15 20.82032063 0.12137601 . . . . 465 ASN N 51423 1 164 . 1 1 237 237 THR N N 15 20.70393375 0.105448607 . . . . 466 THR N 51423 1 165 . 1 1 239 239 ALA N N 15 20.07226014 0.059225657 . . . . 468 ALA N 51423 1 166 . 1 1 240 240 GLY N N 15 15.76789656 0.083538525 . . . . 469 GLY N 51423 1 167 . 1 1 241 241 LYS N N 15 18.40603718 0.168713538 . . . . 470 LYS N 51423 1 168 . 1 1 242 242 ILE N N 15 15.09661836 0.088200352 . . . . 471 ILE N 51423 1 169 . 1 1 243 243 THR N N 15 18.06358382 0.404603395 . . . . 472 THR N 51423 1 170 . 1 1 244 244 GLU N N 15 16.59751037 0.061706927 . . . . 473 GLU N 51423 1 171 . 1 1 245 245 SER N N 15 16.39881929 0.103803612 . . . . 474 SER N 51423 1 172 . 1 1 246 246 GLN N N 15 16.71402307 0.084925004 . . . . 475 GLN N 51423 1 173 . 1 1 248 248 SER N N 15 17.76830135 0.162591954 . . . . 477 SER N 51423 1 174 . 1 1 250 250 LEU N N 15 17.09109554 0.1790607 . . . . 479 LEU N 51423 1 175 . 1 1 251 251 ASN N N 15 17.49169145 0.068840836 . . . . 480 ASN N 51423 1 176 . 1 1 252 252 TYR N N 15 16.48804617 0.085090824 . . . . 481 TYR N 51423 1 177 . 1 1 253 253 GLN N N 15 15.52795031 0.162754138 . . . . 482 GLN N 51423 1 178 . 1 1 255 255 GLY N N 15 16.753225 0.184961891 . . . . 484 GLY N 51423 1 179 . 1 1 256 256 VAL N N 15 17.00102006 0.108966076 . . . . 485 VAL N 51423 1 180 . 1 1 257 257 GLU N N 15 16.80107527 0.254330793 . . . . 486 GLU N 51423 1 181 . 1 1 258 258 GLY N N 15 17.2860847 0.137750822 . . . . 487 GLY N 51423 1 182 . 1 1 259 259 LYS N N 15 18.40942563 0.052191671 . . . . 488 LYS N 51423 1 183 . 1 1 260 260 SER N N 15 15.63477173 0.099489557 . . . . 489 SER N 51423 1 184 . 1 1 261 261 ALA N N 15 16.32120124 0.119338961 . . . . 490 ALA N 51423 1 185 . 1 1 262 262 LYS N N 15 16.97216565 0.090449084 . . . . 491 LYS N 51423 1 186 . 1 1 263 263 GLN N N 15 16.22060016 0.040518612 . . . . 492 GLN N 51423 1 187 . 1 1 264 264 VAL N N 15 17.43679163 0.152932976 . . . . 493 VAL N 51423 1 188 . 1 1 265 265 ALA N N 15 17.41856819 0.388360343 . . . . 494 ALA N 51423 1 189 . 1 1 267 267 GLU N N 15 17.47946163 0.096547979 . . . . 496 GLU N 51423 1 190 . 1 1 270 270 GLN N N 15 16.89189189 0.13667595 . . . . 499 GLN N 51423 1 191 . 1 1 271 271 GLU N N 15 15.97954618 0.140695589 . . . . 500 GLU N 51423 1 192 . 1 1 272 272 GLN N N 15 16.30789302 0.092815634 . . . . 501 GLN N 51423 1 193 . 1 1 273 273 GLY N N 15 15.90330789 0.075874561 . . . . 502 GLY N 51423 1 194 . 1 1 275 275 LEU N N 15 17.7999288 0.029846089 . . . . 504 LEU N 51423 1 195 . 1 1 276 276 LYS N N 15 14.08252359 0.271694935 . . . . 505 LYS N 51423 1 196 . 1 1 277 277 LYS N N 15 10.47888505 0.120787735 . . . . 506 LYS N 51423 1 stop_ save_