data_53109 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53109 _Entry.Title ; Androgen Receptor allTau-5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-05 _Entry.Accession_date 2025-05-05 _Entry.Last_release_date 2025-05-06 _Entry.Original_release_date 2025-05-06 _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 'allTau-5 is the C-terminal fragment of the Androgen Receptor Activation Domain.' _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 Stase Bielskute . . . 0000-0001-8510-6098 53109 2 Borja Mateos . . . 0000-0002-0310-4943 53109 3 Jesus Garcia . . . 0000-0003-2961-9790 53109 4 Xavier Salvatella . . . 0000-0002-8371-4185 53109 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53109 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 458 53109 '15N chemical shifts' 175 53109 '1H chemical shifts' 176 53109 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2026-01-06 . original BMRB . 53109 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53096 'Estrogen Receptor alpha Activation Domain (ERa AD)' 53109 BMRB 53097 'Glucocorticoid receptor Activation Domain (GR AD)' 53109 BMRB 53098 'Mineralocorticoid Receptor Activation Domain (MR AD)' 53109 BMRB 53099 'Mineralocorticoid Receptor Activation Domain (MR AD) 2M urea' 53109 BMRB 53100 'Androgen Receptor Tau-5* noAro' 53109 BMRB 53101 'Androgen Receptor Tau-5* A398P' 53109 BMRB 53102 'Androgen Receptor Tau-5* AAA' 53109 BMRB 53103 'Androgen Receptor Tau-5* G407A' 53109 BMRB 53104 'Androgen Receptor Tau-5* dC448' 53109 BMRB 53105 'Androgen Receptor Tau-5*' 53109 BMRB 53106 'Androgen Receptor Tau-5* C404Y' 53109 BMRB 53108 'Androgen Receptor Nt L26P' 53109 BMRB 53110 'Androgen Receptor allTau-5 4G CtoS' 53109 BMRB 53111 'Androgen Receptor allTau-5 4G CtoS PP' 53109 BMRB 53112 'Progesterone Receptor Activation Domain (PR AD)' 53109 BMRB 53113 'AR Tau-5* C404S covalent dimer' 53109 BMRB 53114 'AR Tau-5* C404S C448-IAM' 53109 BMRB 53115 'AR Tau-5* (dC448) C404 - EPI-001 covalent adduct' 53109 BMRB 53116 'AR Tau-5* h2SA' 53109 BMRB 53117 'AR Tau-5* h3A' 53109 BMRB 53118 'AR Tau-5* L436P' 53109 BMRB 53119 'AR Tau-5* PP' 53109 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53109 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Oligomerization enables the selective targeting of an intrinsically disordered region by a small molecule ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Sci. Adv.' _Citation.Journal_name_full 'Science Advances' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Stase Bielskute . . . . 53109 1 2 Borja Mateos . . . . 53109 1 3 Muhammad Awawdy . . . . 53109 1 4 Carla Garcia-Cabau . . . . 53109 1 5 Henri Niskanen . . . . 53109 1 6 Carolina Sanchez-Zarzalejo . . . . 53109 1 7 Lorenzo Bracaglia . . . . 53109 1 8 Roberta Pierattelli . . . . 53109 1 9 Isabella Felli . C. . . 53109 1 10 Marta Frigole-Vivas . . . . 53109 1 11 Jesus Garcia . . . . 53109 1 12 Antoni Riera . . . . 53109 1 13 Denes Hnisz . . . . 53109 1 14 Xavier Salvatella . . . . 53109 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53109 _Assembly.ID 1 _Assembly.Name 'AR allTau-5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'AR allTau-5' 1 $entity_1 . . yes native no no . . . 53109 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53109 _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 ; PAAGSSGTLELPSTLSLYKS GALDEAAAYQSRDYYNFPLA LAGPPPPPPPPHPHARIKLE NPLDYGSAWAAAAAQCRYGD LASLHGAGAAGPGSGSPSAA ASSSWHTLFTAEEGQLYGPC GGGGEAGAVAPYGYTRPPQG LAGQESDFTAPDVWYPGGMV SRVPYPSPTCVKSEMGPWMD SYSGPYGDMRLETARDHVLP IDYYFPPQKT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 210 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 329 PRO . 53109 1 2 330 ALA . 53109 1 3 331 ALA . 53109 1 4 332 GLY . 53109 1 5 333 SER . 53109 1 6 334 SER . 53109 1 7 335 GLY . 53109 1 8 336 THR . 53109 1 9 337 LEU . 53109 1 10 338 GLU . 53109 1 11 339 LEU . 53109 1 12 340 PRO . 53109 1 13 341 SER . 53109 1 14 342 THR . 53109 1 15 343 LEU . 53109 1 16 344 SER . 53109 1 17 345 LEU . 53109 1 18 346 TYR . 53109 1 19 347 LYS . 53109 1 20 348 SER . 53109 1 21 349 GLY . 53109 1 22 350 ALA . 53109 1 23 351 LEU . 53109 1 24 352 ASP . 53109 1 25 353 GLU . 53109 1 26 354 ALA . 53109 1 27 355 ALA . 53109 1 28 356 ALA . 53109 1 29 357 TYR . 53109 1 30 358 GLN . 53109 1 31 359 SER . 53109 1 32 360 ARG . 53109 1 33 361 ASP . 53109 1 34 362 TYR . 53109 1 35 363 TYR . 53109 1 36 364 ASN . 53109 1 37 365 PHE . 53109 1 38 366 PRO . 53109 1 39 367 LEU . 53109 1 40 368 ALA . 53109 1 41 369 LEU . 53109 1 42 370 ALA . 53109 1 43 371 GLY . 53109 1 44 372 PRO . 53109 1 45 373 PRO . 53109 1 46 374 PRO . 53109 1 47 375 PRO . 53109 1 48 376 PRO . 53109 1 49 377 PRO . 53109 1 50 378 PRO . 53109 1 51 379 PRO . 53109 1 52 380 HIS . 53109 1 53 381 PRO . 53109 1 54 382 HIS . 53109 1 55 383 ALA . 53109 1 56 384 ARG . 53109 1 57 385 ILE . 53109 1 58 386 LYS . 53109 1 59 387 LEU . 53109 1 60 388 GLU . 53109 1 61 389 ASN . 53109 1 62 390 PRO . 53109 1 63 391 LEU . 53109 1 64 392 ASP . 53109 1 65 393 TYR . 53109 1 66 394 GLY . 53109 1 67 395 SER . 53109 1 68 396 ALA . 53109 1 69 397 TRP . 53109 1 70 398 ALA . 53109 1 71 399 ALA . 53109 1 72 400 ALA . 53109 1 73 401 ALA . 53109 1 74 402 ALA . 53109 1 75 403 GLN . 53109 1 76 404 CYS . 53109 1 77 405 ARG . 53109 1 78 406 TYR . 53109 1 79 407 GLY . 53109 1 80 408 ASP . 53109 1 81 409 LEU . 53109 1 82 410 ALA . 53109 1 83 411 SER . 53109 1 84 412 LEU . 53109 1 85 413 HIS . 53109 1 86 414 GLY . 53109 1 87 415 ALA . 53109 1 88 416 GLY . 53109 1 89 417 ALA . 53109 1 90 418 ALA . 53109 1 91 419 GLY . 53109 1 92 420 PRO . 53109 1 93 421 GLY . 53109 1 94 422 SER . 53109 1 95 423 GLY . 53109 1 96 424 SER . 53109 1 97 425 PRO . 53109 1 98 426 SER . 53109 1 99 427 ALA . 53109 1 100 428 ALA . 53109 1 101 429 ALA . 53109 1 102 430 SER . 53109 1 103 431 SER . 53109 1 104 432 SER . 53109 1 105 433 TRP . 53109 1 106 434 HIS . 53109 1 107 435 THR . 53109 1 108 436 LEU . 53109 1 109 437 PHE . 53109 1 110 438 THR . 53109 1 111 439 ALA . 53109 1 112 440 GLU . 53109 1 113 441 GLU . 53109 1 114 442 GLY . 53109 1 115 443 GLN . 53109 1 116 444 LEU . 53109 1 117 445 TYR . 53109 1 118 446 GLY . 53109 1 119 447 PRO . 53109 1 120 448 CYS . 53109 1 121 449 GLY . 53109 1 122 450 GLY . 53109 1 123 451 GLY . 53109 1 124 452 GLY . 53109 1 125 453 GLU . 53109 1 126 454 ALA . 53109 1 127 455 GLY . 53109 1 128 456 ALA . 53109 1 129 457 VAL . 53109 1 130 458 ALA . 53109 1 131 459 PRO . 53109 1 132 460 TYR . 53109 1 133 461 GLY . 53109 1 134 462 TYR . 53109 1 135 463 THR . 53109 1 136 464 ARG . 53109 1 137 465 PRO . 53109 1 138 466 PRO . 53109 1 139 467 GLN . 53109 1 140 468 GLY . 53109 1 141 469 LEU . 53109 1 142 470 ALA . 53109 1 143 471 GLY . 53109 1 144 472 GLN . 53109 1 145 473 GLU . 53109 1 146 474 SER . 53109 1 147 475 ASP . 53109 1 148 476 PHE . 53109 1 149 477 THR . 53109 1 150 478 ALA . 53109 1 151 479 PRO . 53109 1 152 480 ASP . 53109 1 153 481 VAL . 53109 1 154 482 TRP . 53109 1 155 483 TYR . 53109 1 156 484 PRO . 53109 1 157 485 GLY . 53109 1 158 486 GLY . 53109 1 159 487 MET . 53109 1 160 488 VAL . 53109 1 161 489 SER . 53109 1 162 490 ARG . 53109 1 163 491 VAL . 53109 1 164 492 PRO . 53109 1 165 493 TYR . 53109 1 166 494 PRO . 53109 1 167 495 SER . 53109 1 168 496 PRO . 53109 1 169 497 THR . 53109 1 170 498 CYS . 53109 1 171 499 VAL . 53109 1 172 500 LYS . 53109 1 173 501 SER . 53109 1 174 502 GLU . 53109 1 175 503 MET . 53109 1 176 504 GLY . 53109 1 177 505 PRO . 53109 1 178 506 TRP . 53109 1 179 507 MET . 53109 1 180 508 ASP . 53109 1 181 509 SER . 53109 1 182 510 TYR . 53109 1 183 511 SER . 53109 1 184 512 GLY . 53109 1 185 513 PRO . 53109 1 186 514 TYR . 53109 1 187 515 GLY . 53109 1 188 516 ASP . 53109 1 189 517 MET . 53109 1 190 518 ARG . 53109 1 191 519 LEU . 53109 1 192 520 GLU . 53109 1 193 521 THR . 53109 1 194 522 ALA . 53109 1 195 523 ARG . 53109 1 196 524 ASP . 53109 1 197 525 HIS . 53109 1 198 526 VAL . 53109 1 199 527 LEU . 53109 1 200 528 PRO . 53109 1 201 529 ILE . 53109 1 202 530 ASP . 53109 1 203 531 TYR . 53109 1 204 532 TYR . 53109 1 205 533 PHE . 53109 1 206 534 PRO . 53109 1 207 535 PRO . 53109 1 208 536 GLN . 53109 1 209 537 LYS . 53109 1 210 538 THR . 53109 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 . PRO 1 1 53109 1 . ALA 2 2 53109 1 . ALA 3 3 53109 1 . GLY 4 4 53109 1 . SER 5 5 53109 1 . SER 6 6 53109 1 . GLY 7 7 53109 1 . THR 8 8 53109 1 . LEU 9 9 53109 1 . GLU 10 10 53109 1 . LEU 11 11 53109 1 . PRO 12 12 53109 1 . SER 13 13 53109 1 . THR 14 14 53109 1 . LEU 15 15 53109 1 . SER 16 16 53109 1 . LEU 17 17 53109 1 . TYR 18 18 53109 1 . LYS 19 19 53109 1 . SER 20 20 53109 1 . GLY 21 21 53109 1 . ALA 22 22 53109 1 . LEU 23 23 53109 1 . ASP 24 24 53109 1 . GLU 25 25 53109 1 . ALA 26 26 53109 1 . ALA 27 27 53109 1 . ALA 28 28 53109 1 . TYR 29 29 53109 1 . GLN 30 30 53109 1 . SER 31 31 53109 1 . ARG 32 32 53109 1 . ASP 33 33 53109 1 . TYR 34 34 53109 1 . TYR 35 35 53109 1 . ASN 36 36 53109 1 . PHE 37 37 53109 1 . PRO 38 38 53109 1 . LEU 39 39 53109 1 . ALA 40 40 53109 1 . LEU 41 41 53109 1 . ALA 42 42 53109 1 . GLY 43 43 53109 1 . PRO 44 44 53109 1 . PRO 45 45 53109 1 . PRO 46 46 53109 1 . PRO 47 47 53109 1 . PRO 48 48 53109 1 . PRO 49 49 53109 1 . PRO 50 50 53109 1 . PRO 51 51 53109 1 . HIS 52 52 53109 1 . PRO 53 53 53109 1 . HIS 54 54 53109 1 . ALA 55 55 53109 1 . ARG 56 56 53109 1 . ILE 57 57 53109 1 . LYS 58 58 53109 1 . LEU 59 59 53109 1 . GLU 60 60 53109 1 . ASN 61 61 53109 1 . PRO 62 62 53109 1 . LEU 63 63 53109 1 . ASP 64 64 53109 1 . TYR 65 65 53109 1 . GLY 66 66 53109 1 . SER 67 67 53109 1 . ALA 68 68 53109 1 . TRP 69 69 53109 1 . ALA 70 70 53109 1 . ALA 71 71 53109 1 . ALA 72 72 53109 1 . ALA 73 73 53109 1 . ALA 74 74 53109 1 . GLN 75 75 53109 1 . CYS 76 76 53109 1 . ARG 77 77 53109 1 . TYR 78 78 53109 1 . GLY 79 79 53109 1 . ASP 80 80 53109 1 . LEU 81 81 53109 1 . ALA 82 82 53109 1 . SER 83 83 53109 1 . LEU 84 84 53109 1 . HIS 85 85 53109 1 . GLY 86 86 53109 1 . ALA 87 87 53109 1 . GLY 88 88 53109 1 . ALA 89 89 53109 1 . ALA 90 90 53109 1 . GLY 91 91 53109 1 . PRO 92 92 53109 1 . GLY 93 93 53109 1 . SER 94 94 53109 1 . GLY 95 95 53109 1 . SER 96 96 53109 1 . PRO 97 97 53109 1 . SER 98 98 53109 1 . ALA 99 99 53109 1 . ALA 100 100 53109 1 . ALA 101 101 53109 1 . SER 102 102 53109 1 . SER 103 103 53109 1 . SER 104 104 53109 1 . TRP 105 105 53109 1 . HIS 106 106 53109 1 . THR 107 107 53109 1 . LEU 108 108 53109 1 . PHE 109 109 53109 1 . THR 110 110 53109 1 . ALA 111 111 53109 1 . GLU 112 112 53109 1 . GLU 113 113 53109 1 . GLY 114 114 53109 1 . GLN 115 115 53109 1 . LEU 116 116 53109 1 . TYR 117 117 53109 1 . GLY 118 118 53109 1 . PRO 119 119 53109 1 . CYS 120 120 53109 1 . GLY 121 121 53109 1 . GLY 122 122 53109 1 . GLY 123 123 53109 1 . GLY 124 124 53109 1 . GLU 125 125 53109 1 . ALA 126 126 53109 1 . GLY 127 127 53109 1 . ALA 128 128 53109 1 . VAL 129 129 53109 1 . ALA 130 130 53109 1 . PRO 131 131 53109 1 . TYR 132 132 53109 1 . GLY 133 133 53109 1 . TYR 134 134 53109 1 . THR 135 135 53109 1 . ARG 136 136 53109 1 . PRO 137 137 53109 1 . PRO 138 138 53109 1 . GLN 139 139 53109 1 . GLY 140 140 53109 1 . LEU 141 141 53109 1 . ALA 142 142 53109 1 . GLY 143 143 53109 1 . GLN 144 144 53109 1 . GLU 145 145 53109 1 . SER 146 146 53109 1 . ASP 147 147 53109 1 . PHE 148 148 53109 1 . THR 149 149 53109 1 . ALA 150 150 53109 1 . PRO 151 151 53109 1 . ASP 152 152 53109 1 . VAL 153 153 53109 1 . TRP 154 154 53109 1 . TYR 155 155 53109 1 . PRO 156 156 53109 1 . GLY 157 157 53109 1 . GLY 158 158 53109 1 . MET 159 159 53109 1 . VAL 160 160 53109 1 . SER 161 161 53109 1 . ARG 162 162 53109 1 . VAL 163 163 53109 1 . PRO 164 164 53109 1 . TYR 165 165 53109 1 . PRO 166 166 53109 1 . SER 167 167 53109 1 . PRO 168 168 53109 1 . THR 169 169 53109 1 . CYS 170 170 53109 1 . VAL 171 171 53109 1 . LYS 172 172 53109 1 . SER 173 173 53109 1 . GLU 174 174 53109 1 . MET 175 175 53109 1 . GLY 176 176 53109 1 . PRO 177 177 53109 1 . TRP 178 178 53109 1 . MET 179 179 53109 1 . ASP 180 180 53109 1 . SER 181 181 53109 1 . TYR 182 182 53109 1 . SER 183 183 53109 1 . GLY 184 184 53109 1 . PRO 185 185 53109 1 . TYR 186 186 53109 1 . GLY 187 187 53109 1 . ASP 188 188 53109 1 . MET 189 189 53109 1 . ARG 190 190 53109 1 . LEU 191 191 53109 1 . GLU 192 192 53109 1 . THR 193 193 53109 1 . ALA 194 194 53109 1 . ARG 195 195 53109 1 . ASP 196 196 53109 1 . HIS 197 197 53109 1 . VAL 198 198 53109 1 . LEU 199 199 53109 1 . PRO 200 200 53109 1 . ILE 201 201 53109 1 . ASP 202 202 53109 1 . TYR 203 203 53109 1 . TYR 204 204 53109 1 . PHE 205 205 53109 1 . PRO 206 206 53109 1 . PRO 207 207 53109 1 . GLN 208 208 53109 1 . LYS 209 209 53109 1 . THR 210 210 53109 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 53109 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 53109 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 53109 _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 . . pDEST17 . . . 53109 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53109 _Sample.ID 1 _Sample.Name 'AR allTau-5' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'AR allTau-5' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 150 . . uM . . . . 53109 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 53109 1 3 DSS 'natural abundance' . . . . . . 10 . . uM . . . . 53109 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 53109 1 5 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53109 1 6 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 53109 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 53109 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'assignment conditions' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 100 . mM 53109 1 pH 7.4 . pH 53109 1 pressure 1 . atm 53109 1 temperature 278 . K 53109 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53109 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53109 1 'data analysis' . 53109 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53109 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53109 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 53109 _Software.ID 3 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53109 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 53109 _Software.ID 4 _Software.Type . _Software.Name qMDD _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 53109 4 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 53109 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800MHz' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 53109 _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 HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53109 1 2 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53109 1 3 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53109 1 4 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53109 1 5 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53109 1 6 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53109 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 53109 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'AR allTau-5' _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 internal indirect . . . . . . 53109 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 53109 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 53109 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 53109 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'AR allTau-5' _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 HSQC' . . . 53109 1 2 '3D HNCO' . . . 53109 1 3 '3D HNCA' . . . 53109 1 4 '3D HN(CA)CO' . . . 53109 1 5 '3D HNCACB' . . . 53109 1 6 '3D HN(CO)CACB' . . . 53109 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 . . 53109 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 1 1 PRO C C 13 176.7241057 0.006272406097 . . . . . . . 329 PRO C . 53109 1 2 . 1 . 1 1 1 PRO CA C 13 62.89611585 0.07259770312 . . . . . . . 329 PRO CA . 53109 1 3 . 1 . 1 1 1 PRO CB C 13 32.27050887 . . . . . . . . 329 PRO CB . 53109 1 4 . 1 . 1 2 2 ALA H H 1 8.683498413 0.001401262955 . . . . . . . 330 ALA H . 53109 1 5 . 1 . 1 2 2 ALA C C 13 177.7344105 0.0136906069 . . . . . . . 330 ALA C . 53109 1 6 . 1 . 1 2 2 ALA CA C 13 52.36394708 0.04576260966 . . . . . . . 330 ALA CA . 53109 1 7 . 1 . 1 2 2 ALA CB C 13 18.98333025 0.03925533865 . . . . . . . 330 ALA CB . 53109 1 8 . 1 . 1 2 2 ALA N N 15 125.1839128 0.009806043458 . . . . . . . 330 ALA N . 53109 1 9 . 1 . 1 3 3 ALA H H 1 8.576568192 0.0005825559051 . . . . . . . 331 ALA H . 53109 1 10 . 1 . 1 3 3 ALA C C 13 178.4842169 0.007543175129 . . . . . . . 331 ALA C . 53109 1 11 . 1 . 1 3 3 ALA CA C 13 52.76537628 0.06940598733 . . . . . . . 331 ALA CA . 53109 1 12 . 1 . 1 3 3 ALA CB C 13 18.97119832 0.01106344178 . . . . . . . 331 ALA CB . 53109 1 13 . 1 . 1 3 3 ALA N N 15 124.25791 0.01165462108 . . . . . . . 331 ALA N . 53109 1 14 . 1 . 1 4 4 GLY H H 1 8.566733113 0.002220748345 . . . . . . . 332 GLY H . 53109 1 15 . 1 . 1 4 4 GLY C C 13 174.4082904 0.0001650380178 . . . . . . . 332 GLY C . 53109 1 16 . 1 . 1 4 4 GLY CA C 13 45.231112 0.06720837326 . . . . . . . 332 GLY CA . 53109 1 17 . 1 . 1 4 4 GLY N N 15 108.9501577 0.01479736017 . . . . . . . 332 GLY N . 53109 1 18 . 1 . 1 5 5 SER H H 1 8.34937597 0.003313114037 . . . . . . . 333 SER H . 53109 1 19 . 1 . 1 5 5 SER C C 13 174.9539894 . . . . . . . . 333 SER C . 53109 1 20 . 1 . 1 5 5 SER CA C 13 58.48175189 0.023373859 . . . . . . . 333 SER CA . 53109 1 21 . 1 . 1 5 5 SER CB C 13 63.9435639 . . . . . . . . 333 SER CB . 53109 1 22 . 1 . 1 5 5 SER N N 15 115.7030403 0.01922574994 . . . . . . . 333 SER N . 53109 1 23 . 1 . 1 6 6 SER H H 1 8.630468912 0.0000439 . . . . . . . 334 SER H . 53109 1 24 . 1 . 1 6 6 SER C C 13 175.0982518 0.004544738332 . . . . . . . 334 SER C . 53109 1 25 . 1 . 1 6 6 SER CA C 13 58.7875316 0.01507102208 . . . . . . . 334 SER CA . 53109 1 26 . 1 . 1 6 6 SER CB C 13 63.78916172 . . . . . . . . 334 SER CB . 53109 1 27 . 1 . 1 6 6 SER N N 15 117.964227 0.033420089 . . . . . . . 334 SER N . 53109 1 28 . 1 . 1 7 7 GLY H H 1 8.543020271 0.002008165803 . . . . . . . 335 GLY H . 53109 1 29 . 1 . 1 7 7 GLY C C 13 174.2255299 0.004881297562 . . . . . . . 335 GLY C . 53109 1 30 . 1 . 1 7 7 GLY CA C 13 45.31720245 0.03395795217 . . . . . . . 335 GLY CA . 53109 1 31 . 1 . 1 7 7 GLY N N 15 110.9945724 0.008020027914 . . . . . . . 335 GLY N . 53109 1 32 . 1 . 1 8 8 THR H H 1 8.162729923 0.0006566749944 . . . . . . . 336 THR H . 53109 1 33 . 1 . 1 8 8 THR C C 13 174.4237697 0.01476658028 . . . . . . . 336 THR C . 53109 1 34 . 1 . 1 8 8 THR CA C 13 61.88448423 0.04860781829 . . . . . . . 336 THR CA . 53109 1 35 . 1 . 1 8 8 THR CB C 13 69.94039543 0.02282120377 . . . . . . . 336 THR CB . 53109 1 36 . 1 . 1 8 8 THR N N 15 114.3783755 0.004267426488 . . . . . . . 336 THR N . 53109 1 37 . 1 . 1 9 9 LEU H H 1 8.425454274 0.001504487945 . . . . . . . 337 LEU H . 53109 1 38 . 1 . 1 9 9 LEU C C 13 177.0708544 0.003351216433 . . . . . . . 337 LEU C . 53109 1 39 . 1 . 1 9 9 LEU CA C 13 55.15189741 0.02493791681 . . . . . . . 337 LEU CA . 53109 1 40 . 1 . 1 9 9 LEU CB C 13 42.35363724 0.02682923436 . . . . . . . 337 LEU CB . 53109 1 41 . 1 . 1 9 9 LEU N N 15 125.0636989 0.01012255176 . . . . . . . 337 LEU N . 53109 1 42 . 1 . 1 10 10 GLU H H 1 8.468160495 0.0009027896271 . . . . . . . 338 GLU H . 53109 1 43 . 1 . 1 10 10 GLU C C 13 176.0166796 0.009173140774 . . . . . . . 338 GLU C . 53109 1 44 . 1 . 1 10 10 GLU CA C 13 56.10995478 0.03498191205 . . . . . . . 338 GLU CA . 53109 1 45 . 1 . 1 10 10 GLU CB C 13 30.27039503 0.03537626788 . . . . . . . 338 GLU CB . 53109 1 46 . 1 . 1 10 10 GLU N N 15 122.6493066 0.007666659423 . . . . . . . 338 GLU N . 53109 1 47 . 1 . 1 11 11 LEU H H 1 8.487192159 0.001395080341 . . . . . . . 339 LEU H . 53109 1 48 . 1 . 1 11 11 LEU C C 13 175.2641087 0.001612311031 . . . . . . . 339 LEU C . 53109 1 49 . 1 . 1 11 11 LEU CA C 13 52.99905351 0.02445738009 . . . . . . . 339 LEU CA . 53109 1 50 . 1 . 1 11 11 LEU CB C 13 41.56306292 . . . . . . . . 339 LEU CB . 53109 1 51 . 1 . 1 11 11 LEU N N 15 125.4462727 0.008408574408 . . . . . . . 339 LEU N . 53109 1 52 . 1 . 1 12 12 PRO CA C 13 63.28252141 . . . . . . . . 340 PRO CA . 53109 1 53 . 1 . 1 12 12 PRO CB C 13 32.08734476 . . . . . . . . 340 PRO CB . 53109 1 54 . 1 . 1 13 13 SER H H 1 8.577203433 0.001154339006 . . . . . . . 341 SER H . 53109 1 55 . 1 . 1 13 13 SER C C 13 175.3754201 0.005769632512 . . . . . . . 341 SER C . 53109 1 56 . 1 . 1 13 13 SER CA C 13 58.45756548 0.001748360229 . . . . . . . 341 SER CA . 53109 1 57 . 1 . 1 13 13 SER CB C 13 63.80460848 0.04891001247 . . . . . . . 341 SER CB . 53109 1 58 . 1 . 1 13 13 SER N N 15 116.1275061 0.007060789531 . . . . . . . 341 SER N . 53109 1 59 . 1 . 1 14 14 THR H H 1 8.319525762 0.00212745554 . . . . . . . 342 THR H . 53109 1 60 . 1 . 1 14 14 THR C C 13 174.8048498 0.006379563406 . . . . . . . 342 THR C . 53109 1 61 . 1 . 1 14 14 THR CA C 13 62.40874299 0.03032379894 . . . . . . . 342 THR CA . 53109 1 62 . 1 . 1 14 14 THR CB C 13 69.50673862 0.02722889253 . . . . . . . 342 THR CB . 53109 1 63 . 1 . 1 14 14 THR N N 15 116.4518111 0.004420461209 . . . . . . . 342 THR N . 53109 1 64 . 1 . 1 15 15 LEU H H 1 8.222264724 0.002394088074 . . . . . . . 343 LEU H . 53109 1 65 . 1 . 1 15 15 LEU C C 13 177.5915623 0.0186268859 . . . . . . . 343 LEU C . 53109 1 66 . 1 . 1 15 15 LEU CA C 13 55.66159852 0.06950781986 . . . . . . . 343 LEU CA . 53109 1 67 . 1 . 1 15 15 LEU CB C 13 42.29321529 0.04249483573 . . . . . . . 343 LEU CB . 53109 1 68 . 1 . 1 15 15 LEU N N 15 123.9400055 0.01030845269 . . . . . . . 343 LEU N . 53109 1 69 . 1 . 1 16 16 SER H H 1 8.347491997 0.001441672017 . . . . . . . 344 SER H . 53109 1 70 . 1 . 1 16 16 SER C C 13 174.678068 0.0006793508883 . . . . . . . 344 SER C . 53109 1 71 . 1 . 1 16 16 SER CA C 13 58.41817266 0 . . . . . . . 344 SER CA . 53109 1 72 . 1 . 1 16 16 SER CB C 13 63.5488095 0.03444901285 . . . . . . . 344 SER CB . 53109 1 73 . 1 . 1 16 16 SER N N 15 116.6502532 0.01329831391 . . . . . . . 344 SER N . 53109 1 74 . 1 . 1 17 17 LEU H H 1 8.23938316 0.002100597996 . . . . . . . 345 LEU H . 53109 1 75 . 1 . 1 17 17 LEU C C 13 177.2053328 0.005416003346 . . . . . . . 345 LEU C . 53109 1 76 . 1 . 1 17 17 LEU CA C 13 55.43590648 0.0042457783 . . . . . . . 345 LEU CA . 53109 1 77 . 1 . 1 17 17 LEU CB C 13 42.11443348 0.0746314207 . . . . . . . 345 LEU CB . 53109 1 78 . 1 . 1 17 17 LEU N N 15 124.0501898 0.01171486038 . . . . . . . 345 LEU N . 53109 1 79 . 1 . 1 18 18 TYR H H 1 8.174607553 0.001300168958 . . . . . . . 346 TYR H . 53109 1 80 . 1 . 1 18 18 TYR C C 13 175.7894809 0.00625472228 . . . . . . . 346 TYR C . 53109 1 81 . 1 . 1 18 18 TYR CA C 13 58.06624804 0.04772770144 . . . . . . . 346 TYR CA . 53109 1 82 . 1 . 1 18 18 TYR CB C 13 38.64385403 . . . . . . . . 346 TYR CB . 53109 1 83 . 1 . 1 18 18 TYR N N 15 120.5047117 0.01338936257 . . . . . . . 346 TYR N . 53109 1 84 . 1 . 1 19 19 LYS H H 1 8.233419051 0.001000169534 . . . . . . . 347 LYS H . 53109 1 85 . 1 . 1 19 19 LYS C C 13 176.1737706 0.01362357832 . . . . . . . 347 LYS C . 53109 1 86 . 1 . 1 19 19 LYS CA C 13 55.9728954 . . . . . . . . 347 LYS CA . 53109 1 87 . 1 . 1 19 19 LYS CB C 13 32.90841823 . . . . . . . . 347 LYS CB . 53109 1 88 . 1 . 1 19 19 LYS N N 15 123.9548149 0.01056150392 . . . . . . . 347 LYS N . 53109 1 89 . 1 . 1 20 20 SER H H 1 8.443946173 0.001697806223 . . . . . . . 348 SER H . 53109 1 90 . 1 . 1 20 20 SER C C 13 175.2051415 0.01143395897 . . . . . . . 348 SER C . 53109 1 91 . 1 . 1 20 20 SER CA C 13 58.7219907 0.04549365103 . . . . . . . 348 SER CA . 53109 1 92 . 1 . 1 20 20 SER CB C 13 63.81090086 0.05748635065 . . . . . . . 348 SER CB . 53109 1 93 . 1 . 1 20 20 SER N N 15 117.4581972 0.01254403693 . . . . . . . 348 SER N . 53109 1 94 . 1 . 1 21 21 GLY H H 1 8.563224548 0.002390582022 . . . . . . . 349 GLY H . 53109 1 95 . 1 . 1 21 21 GLY C C 13 173.9759246 0.007713717347 . . . . . . . 349 GLY C . 53109 1 96 . 1 . 1 21 21 GLY CA C 13 45.24759579 0.01209428369 . . . . . . . 349 GLY CA . 53109 1 97 . 1 . 1 21 21 GLY N N 15 111.4690402 0.002451719911 . . . . . . . 349 GLY N . 53109 1 98 . 1 . 1 22 22 ALA H H 1 8.203960569 0.001418392414 . . . . . . . 350 ALA H . 53109 1 99 . 1 . 1 22 22 ALA C C 13 178.0743262 0.01252857554 . . . . . . . 350 ALA C . 53109 1 100 . 1 . 1 22 22 ALA CA C 13 52.66776571 0.01243139977 . . . . . . . 350 ALA CA . 53109 1 101 . 1 . 1 22 22 ALA CB C 13 19.29976029 0.01133516488 . . . . . . . 350 ALA CB . 53109 1 102 . 1 . 1 22 22 ALA N N 15 123.7419743 0.0007435944869 . . . . . . . 350 ALA N . 53109 1 103 . 1 . 1 23 23 LEU H H 1 8.385879192 0.001237730403 . . . . . . . 351 LEU H . 53109 1 104 . 1 . 1 23 23 LEU C C 13 177.3835543 0.01276524646 . . . . . . . 351 LEU C . 53109 1 105 . 1 . 1 23 23 LEU CA C 13 55.39458241 0.05359222376 . . . . . . . 351 LEU CA . 53109 1 106 . 1 . 1 23 23 LEU CB C 13 42.13586489 0.002276076174 . . . . . . . 351 LEU CB . 53109 1 107 . 1 . 1 23 23 LEU N N 15 121.1273527 0.008447430583 . . . . . . . 351 LEU N . 53109 1 108 . 1 . 1 24 24 ASP H H 1 8.313019763 0.001077500878 . . . . . . . 352 ASP H . 53109 1 109 . 1 . 1 24 24 ASP C C 13 176.6716049 0.009954097827 . . . . . . . 352 ASP C . 53109 1 110 . 1 . 1 24 24 ASP CA C 13 54.32808683 0.01287221118 . . . . . . . 352 ASP CA . 53109 1 111 . 1 . 1 24 24 ASP CB C 13 40.91038018 0.02926765768 . . . . . . . 352 ASP CB . 53109 1 112 . 1 . 1 24 24 ASP N N 15 121.0830059 0.01197157645 . . . . . . . 352 ASP N . 53109 1 113 . 1 . 1 25 25 GLU H H 1 8.456789368 0.0008224830743 . . . . . . . 353 GLU H . 53109 1 114 . 1 . 1 25 25 GLU C C 13 176.9628812 0.006173035653 . . . . . . . 353 GLU C . 53109 1 115 . 1 . 1 25 25 GLU CA C 13 57.49823102 0.04381762924 . . . . . . . 353 GLU CA . 53109 1 116 . 1 . 1 25 25 GLU CB C 13 29.98641801 0.03973900757 . . . . . . . 353 GLU CB . 53109 1 117 . 1 . 1 25 25 GLU N N 15 122.2752931 0.009274433254 . . . . . . . 353 GLU N . 53109 1 118 . 1 . 1 26 26 ALA H H 1 8.324229312 0.001566959084 . . . . . . . 354 ALA H . 53109 1 119 . 1 . 1 26 26 ALA C C 13 178.3863627 0.006505800389 . . . . . . . 354 ALA C . 53109 1 120 . 1 . 1 26 26 ALA CA C 13 53.10518502 0.05733703528 . . . . . . . 354 ALA CA . 53109 1 121 . 1 . 1 26 26 ALA CB C 13 18.77125133 0.07680320273 . . . . . . . 354 ALA CB . 53109 1 122 . 1 . 1 26 26 ALA N N 15 123.6402322 0.01504316701 . . . . . . . 354 ALA N . 53109 1 123 . 1 . 1 27 27 ALA H H 1 8.089179007 0.001151168483 . . . . . . . 355 ALA H . 53109 1 124 . 1 . 1 27 27 ALA C C 13 178.2498442 0.008602135144 . . . . . . . 355 ALA C . 53109 1 125 . 1 . 1 27 27 ALA CA C 13 52.97084068 0.02845257556 . . . . . . . 355 ALA CA . 53109 1 126 . 1 . 1 27 27 ALA CB C 13 18.8537402 0.003428837392 . . . . . . . 355 ALA CB . 53109 1 127 . 1 . 1 27 27 ALA N N 15 122.1690594 0.007399456327 . . . . . . . 355 ALA N . 53109 1 128 . 1 . 1 28 28 ALA H H 1 8.126478311 0.001314426677 . . . . . . . 356 ALA H . 53109 1 129 . 1 . 1 28 28 ALA C C 13 178.0731538 0.005640116663 . . . . . . . 356 ALA C . 53109 1 130 . 1 . 1 28 28 ALA CA C 13 52.97500177 0.004405454248 . . . . . . . 356 ALA CA . 53109 1 131 . 1 . 1 28 28 ALA CB C 13 18.89929393 . . . . . . . . 356 ALA CB . 53109 1 132 . 1 . 1 28 28 ALA N N 15 122.1617776 0.005074975523 . . . . . . . 356 ALA N . 53109 1 133 . 1 . 1 29 29 TYR H H 1 8.046382194 0.001328126317 . . . . . . . 357 TYR H . 53109 1 134 . 1 . 1 29 29 TYR C C 13 176.0803939 0.006557616886 . . . . . . . 357 TYR C . 53109 1 135 . 1 . 1 29 29 TYR CA C 13 58.44673364 0.02819926017 . . . . . . . 357 TYR CA . 53109 1 136 . 1 . 1 29 29 TYR CB C 13 38.43317756 0.006534313827 . . . . . . . 357 TYR CB . 53109 1 137 . 1 . 1 29 29 TYR N N 15 118.7664339 0.02144171745 . . . . . . . 357 TYR N . 53109 1 138 . 1 . 1 30 30 GLN H H 1 8.104433817 0.002013536455 . . . . . . . 358 GLN H . 53109 1 139 . 1 . 1 30 30 GLN C C 13 175.7665271 0.008898608056 . . . . . . . 358 GLN C . 53109 1 140 . 1 . 1 30 30 GLN CA C 13 55.84205001 0.0265481423 . . . . . . . 358 GLN CA . 53109 1 141 . 1 . 1 30 30 GLN CB C 13 29.49286752 0.0351349726 . . . . . . . 358 GLN CB . 53109 1 142 . 1 . 1 30 30 GLN N N 15 121.4177801 0.009035983777 . . . . . . . 358 GLN N . 53109 1 143 . 1 . 1 31 31 SER H H 1 8.30065831 0.001385802818 . . . . . . . 359 SER H . 53109 1 144 . 1 . 1 31 31 SER C C 13 174.8397685 0.001213592442 . . . . . . . 359 SER C . 53109 1 145 . 1 . 1 31 31 SER CA C 13 58.59198587 0.06869832576 . . . . . . . 359 SER CA . 53109 1 146 . 1 . 1 31 31 SER CB C 13 63.64658937 0.02761915606 . . . . . . . 359 SER CB . 53109 1 147 . 1 . 1 31 31 SER N N 15 116.6708057 0.01527908662 . . . . . . . 359 SER N . 53109 1 148 . 1 . 1 32 32 ARG H H 1 8.353679851 0.002960741747 . . . . . . . 360 ARG H . 53109 1 149 . 1 . 1 32 32 ARG C C 13 175.9285672 0.002652165359 . . . . . . . 360 ARG C . 53109 1 150 . 1 . 1 32 32 ARG CA C 13 56.47262529 0.03284871794 . . . . . . . 360 ARG CA . 53109 1 151 . 1 . 1 32 32 ARG CB C 13 30.42210341 0.005704190459 . . . . . . . 360 ARG CB . 53109 1 152 . 1 . 1 32 32 ARG N N 15 122.7182681 0.009326738032 . . . . . . . 360 ARG N . 53109 1 153 . 1 . 1 33 33 ASP H H 1 8.327906539 0.001292345263 . . . . . . . 361 ASP H . 53109 1 154 . 1 . 1 33 33 ASP C C 13 176.0781913 0.006568066834 . . . . . . . 361 ASP C . 53109 1 155 . 1 . 1 33 33 ASP CA C 13 54.39455427 0.03232932844 . . . . . . . 361 ASP CA . 53109 1 156 . 1 . 1 33 33 ASP CB C 13 40.88408252 0.05729318493 . . . . . . . 361 ASP CB . 53109 1 157 . 1 . 1 33 33 ASP N N 15 120.5941634 0.0000013 . . . . . . . 361 ASP N . 53109 1 158 . 1 . 1 34 34 TYR H H 1 8.007721477 0.002226398923 . . . . . . . 362 TYR H . 53109 1 159 . 1 . 1 34 34 TYR C C 13 175.6326959 0.002868084775 . . . . . . . 362 TYR C . 53109 1 160 . 1 . 1 34 34 TYR CA C 13 58.71696761 0.03045293845 . . . . . . . 362 TYR CA . 53109 1 161 . 1 . 1 34 34 TYR CB C 13 38.52155817 0 . . . . . . . 362 TYR CB . 53109 1 162 . 1 . 1 34 34 TYR N N 15 120.2346853 0.01854352185 . . . . . . . 362 TYR N . 53109 1 163 . 1 . 1 35 35 TYR H H 1 8.006682257 0.002513847363 . . . . . . . 363 TYR H . 53109 1 164 . 1 . 1 35 35 TYR C C 13 175.3184201 0.00290131615 . . . . . . . 363 TYR C . 53109 1 165 . 1 . 1 35 35 TYR CA C 13 58.31880657 . . . . . . . . 363 TYR CA . 53109 1 166 . 1 . 1 35 35 TYR N N 15 119.8903328 0.01931840123 . . . . . . . 363 TYR N . 53109 1 167 . 1 . 1 36 36 ASN H H 1 8.027314132 0.003185555119 . . . . . . . 364 ASN H . 53109 1 168 . 1 . 1 36 36 ASN C C 13 174.1334614 0.0006841056261 . . . . . . . 364 ASN C . 53109 1 169 . 1 . 1 36 36 ASN CA C 13 52.96326277 0.01496419591 . . . . . . . 364 ASN CA . 53109 1 170 . 1 . 1 36 36 ASN CB C 13 38.97733067 0.00985901058 . . . . . . . 364 ASN CB . 53109 1 171 . 1 . 1 36 36 ASN N N 15 119.3089205 0.000007567 . . . . . . . 364 ASN N . 53109 1 172 . 1 . 1 37 37 PHE H H 1 8.050138005 0.001088497523 . . . . . . . 365 PHE H . 53109 1 173 . 1 . 1 37 37 PHE CA C 13 55.94191927 0 . . . . . . . 365 PHE CA . 53109 1 174 . 1 . 1 37 37 PHE CB C 13 38.62177994 . . . . . . . . 365 PHE CB . 53109 1 175 . 1 . 1 37 37 PHE N N 15 121.2906905 0.0000023 . . . . . . . 365 PHE N . 53109 1 176 . 1 . 1 38 38 PRO C C 13 176.9552701 0.002932323199 . . . . . . . 366 PRO C . 53109 1 177 . 1 . 1 38 38 PRO CA C 13 63.31209026 0.003007643562 . . . . . . . 366 PRO CA . 53109 1 178 . 1 . 1 38 38 PRO CB C 13 31.90576993 . . . . . . . . 366 PRO CB . 53109 1 179 . 1 . 1 39 39 LEU H H 1 8.337922074 0.001612569722 . . . . . . . 367 LEU H . 53109 1 180 . 1 . 1 39 39 LEU C C 13 177.3509921 0.0009335745802 . . . . . . . 367 LEU C . 53109 1 181 . 1 . 1 39 39 LEU CA C 13 55.12541559 0.01945266686 . . . . . . . 367 LEU CA . 53109 1 182 . 1 . 1 39 39 LEU CB C 13 42.18896142 . . . . . . . . 367 LEU CB . 53109 1 183 . 1 . 1 39 39 LEU N N 15 122.2316644 0.02722179131 . . . . . . . 367 LEU N . 53109 1 184 . 1 . 1 40 40 ALA H H 1 8.354096523 0.002660333081 . . . . . . . 368 ALA H . 53109 1 185 . 1 . 1 40 40 ALA C C 13 177.6125853 0.008414113654 . . . . . . . 368 ALA C . 53109 1 186 . 1 . 1 40 40 ALA CA C 13 52.39166174 0.0262272712 . . . . . . . 368 ALA CA . 53109 1 187 . 1 . 1 40 40 ALA CB C 13 19.00463721 0.05699475642 . . . . . . . 368 ALA CB . 53109 1 188 . 1 . 1 40 40 ALA N N 15 124.8842536 0.008129500931 . . . . . . . 368 ALA N . 53109 1 189 . 1 . 1 41 41 LEU H H 1 8.24706261 0.001339769308 . . . . . . . 369 LEU H . 53109 1 190 . 1 . 1 41 41 LEU C C 13 177.1066173 0.004779350611 . . . . . . . 369 LEU C . 53109 1 191 . 1 . 1 41 41 LEU CA C 13 54.99340245 0.007611821888 . . . . . . . 369 LEU CA . 53109 1 192 . 1 . 1 41 41 LEU CB C 13 42.43577952 . . . . . . . . 369 LEU CB . 53109 1 193 . 1 . 1 41 41 LEU N N 15 121.5227469 0.005314455699 . . . . . . . 369 LEU N . 53109 1 194 . 1 . 1 42 42 ALA H H 1 8.350576786 0.003828067965 . . . . . . . 370 ALA H . 53109 1 195 . 1 . 1 42 42 ALA C C 13 177.6553993 0.05689210161 . . . . . . . 370 ALA C . 53109 1 196 . 1 . 1 42 42 ALA CA C 13 52.3288085 0.0581931242 . . . . . . . 370 ALA CA . 53109 1 197 . 1 . 1 42 42 ALA CB C 13 19.45193077 . . . . . . . . 370 ALA CB . 53109 1 198 . 1 . 1 42 42 ALA N N 15 124.7836614 0 . . . . . . . 370 ALA N . 53109 1 199 . 1 . 1 43 43 GLY H H 1 8.195238855 0.001939177751 . . . . . . . 371 GLY H . 53109 1 200 . 1 . 1 43 43 GLY C C 13 177.9391211 . . . . . . . . 371 GLY C . 53109 1 201 . 1 . 1 43 43 GLY CA C 13 44.35103997 0.003984595324 . . . . . . . 371 GLY CA . 53109 1 202 . 1 . 1 43 43 GLY N N 15 108.4890991 0.01612549958 . . . . . . . 371 GLY N . 53109 1 203 . 1 . 1 51 51 PRO C C 13 176.3072375 0.004721483106 . . . . . . . 379 PRO C . 53109 1 204 . 1 . 1 51 51 PRO CA C 13 62.85265033 . . . . . . . . 379 PRO CA . 53109 1 205 . 1 . 1 52 52 HIS H H 1 8.40628027 0.003077283276 . . . . . . . 380 HIS H . 53109 1 206 . 1 . 1 52 52 HIS CA C 13 54.53059549 . . . . . . . . 380 HIS CA . 53109 1 207 . 1 . 1 52 52 HIS N N 15 121.4241824 0.006049806947 . . . . . . . 380 HIS N . 53109 1 208 . 1 . 1 53 53 PRO C C 13 176.9237824 0.01204240747 . . . . . . . 381 PRO C . 53109 1 209 . 1 . 1 54 54 HIS H H 1 8.881361292 0.001738980061 . . . . . . . 382 HIS H . 53109 1 210 . 1 . 1 54 54 HIS C C 13 175.4104137 . . . . . . . . 382 HIS C . 53109 1 211 . 1 . 1 54 54 HIS CA C 13 56.04597463 . . . . . . . . 382 HIS CA . 53109 1 212 . 1 . 1 54 54 HIS N N 15 119.7348409 0 . . . . . . . 382 HIS N . 53109 1 213 . 1 . 1 55 55 ALA H H 1 8.263832567 0.004052298428 . . . . . . . 383 ALA H . 53109 1 214 . 1 . 1 55 55 ALA C C 13 177.5737646 0.00222370349 . . . . . . . 383 ALA C . 53109 1 215 . 1 . 1 55 55 ALA CA C 13 52.63161115 0.05534643773 . . . . . . . 383 ALA CA . 53109 1 216 . 1 . 1 55 55 ALA N N 15 124.7853853 0.002959398155 . . . . . . . 383 ALA N . 53109 1 217 . 1 . 1 56 56 ARG H H 1 8.491931263 0.003641313965 . . . . . . . 384 ARG H . 53109 1 218 . 1 . 1 56 56 ARG C C 13 176.3012283 0.006344481509 . . . . . . . 384 ARG C . 53109 1 219 . 1 . 1 56 56 ARG CA C 13 55.96125293 . . . . . . . . 384 ARG CA . 53109 1 220 . 1 . 1 56 56 ARG N N 15 120.6922195 0 . . . . . . . 384 ARG N . 53109 1 221 . 1 . 1 57 57 ILE H H 1 8.249080415 0.005290228562 . . . . . . . 385 ILE H . 53109 1 222 . 1 . 1 57 57 ILE C C 13 175.8941799 . . . . . . . . 385 ILE C . 53109 1 223 . 1 . 1 57 57 ILE N N 15 122.42143 0.04086593776 . . . . . . . 385 ILE N . 53109 1 224 . 1 . 1 58 58 LYS H H 1 8.480661289 0.002185250244 . . . . . . . 386 LYS H . 53109 1 225 . 1 . 1 58 58 LYS C C 13 176.0398141 0.005906883806 . . . . . . . 386 LYS C . 53109 1 226 . 1 . 1 58 58 LYS CA C 13 56.16509023 . . . . . . . . 386 LYS CA . 53109 1 227 . 1 . 1 58 58 LYS N N 15 126.2120773 0.0000013 . . . . . . . 386 LYS N . 53109 1 228 . 1 . 1 59 59 LEU H H 1 8.409834702 0.0003163455414 . . . . . . . 387 LEU H . 53109 1 229 . 1 . 1 59 59 LEU C C 13 177.129861 0.001135953821 . . . . . . . 387 LEU C . 53109 1 230 . 1 . 1 59 59 LEU N N 15 125.067235 0.002624384189 . . . . . . . 387 LEU N . 53109 1 231 . 1 . 1 60 60 GLU H H 1 8.54926578 0.0009784463928 . . . . . . . 388 GLU H . 53109 1 232 . 1 . 1 60 60 GLU C C 13 175.7926225 0.01997658802 . . . . . . . 388 GLU C . 53109 1 233 . 1 . 1 60 60 GLU CA C 13 56.47425454 0.05608329922 . . . . . . . 388 GLU CA . 53109 1 234 . 1 . 1 60 60 GLU N N 15 122.0435786 0.0000019 . . . . . . . 388 GLU N . 53109 1 235 . 1 . 1 61 61 ASN H H 1 8.59365659 0.002078165407 . . . . . . . 389 ASN H . 53109 1 236 . 1 . 1 61 61 ASN CA C 13 50.96097293 . . . . . . . . 389 ASN CA . 53109 1 237 . 1 . 1 61 61 ASN N N 15 120.2880965 0 . . . . . . . 389 ASN N . 53109 1 238 . 1 . 1 63 63 LEU C C 13 177.2578413 0.0114644748 . . . . . . . 391 LEU C . 53109 1 239 . 1 . 1 64 64 ASP H H 1 8.027293131 0.002413604479 . . . . . . . 392 ASP H . 53109 1 240 . 1 . 1 64 64 ASP C C 13 176.1701917 0.04868363168 . . . . . . . 392 ASP C . 53109 1 241 . 1 . 1 64 64 ASP CA C 13 54.0223034 . . . . . . . . 392 ASP CA . 53109 1 242 . 1 . 1 64 64 ASP N N 15 119.9235796 0 . . . . . . . 392 ASP N . 53109 1 243 . 1 . 1 65 65 TYR H H 1 8.098136373 0.003989884035 . . . . . . . 393 TYR H . 53109 1 244 . 1 . 1 65 65 TYR C C 13 176.7981984 0.003993849583 . . . . . . . 393 TYR C . 53109 1 245 . 1 . 1 65 65 TYR CA C 13 55.75467007 . . . . . . . . 393 TYR CA . 53109 1 246 . 1 . 1 65 65 TYR N N 15 121.1983313 0 . . . . . . . 393 TYR N . 53109 1 247 . 1 . 1 66 66 GLY H H 1 8.459609047 0.003353034672 . . . . . . . 394 GLY H . 53109 1 248 . 1 . 1 66 66 GLY C C 13 174.995343 0.004186747121 . . . . . . . 394 GLY C . 53109 1 249 . 1 . 1 66 66 GLY CA C 13 45.69726691 . . . . . . . . 394 GLY CA . 53109 1 250 . 1 . 1 66 66 GLY N N 15 109.423305 0 . . . . . . . 394 GLY N . 53109 1 251 . 1 . 1 67 67 SER H H 1 8.224470808 0.003483855779 . . . . . . . 395 SER H . 53109 1 252 . 1 . 1 67 67 SER C C 13 175.5878329 0.003719972408 . . . . . . . 395 SER C . 53109 1 253 . 1 . 1 67 67 SER N N 15 116.2055324 0 . . . . . . . 395 SER N . 53109 1 254 . 1 . 1 68 68 ALA H H 1 8.525723197 0.004729096268 . . . . . . . 396 ALA H . 53109 1 255 . 1 . 1 68 68 ALA C C 13 179.1774889 . . . . . . . . 396 ALA C . 53109 1 256 . 1 . 1 68 68 ALA CA C 13 54.16961312 . . . . . . . . 396 ALA CA . 53109 1 257 . 1 . 1 68 68 ALA N N 15 125.9166571 0.01166685613 . . . . . . . 396 ALA N . 53109 1 258 . 1 . 1 69 69 TRP H H 1 8.206057228 0.0001426840084 . . . . . . . 397 TRP H . 53109 1 259 . 1 . 1 69 69 TRP C C 13 177.2491992 . . . . . . . . 397 TRP C . 53109 1 260 . 1 . 1 69 69 TRP N N 15 119.9961418 0.002340822313 . . . . . . . 397 TRP N . 53109 1 261 . 1 . 1 70 70 ALA H H 1 7.953871521 0.001601134485 . . . . . . . 398 ALA H . 53109 1 262 . 1 . 1 70 70 ALA C C 13 178.9744349 0.006198775951 . . . . . . . 398 ALA C . 53109 1 263 . 1 . 1 70 70 ALA CA C 13 53.74033792 . . . . . . . . 398 ALA CA . 53109 1 264 . 1 . 1 70 70 ALA N N 15 123.4727836 0.0000019 . . . . . . . 398 ALA N . 53109 1 265 . 1 . 1 71 71 ALA H H 1 7.987641607 0.000661234297 . . . . . . . 399 ALA H . 53109 1 266 . 1 . 1 71 71 ALA C C 13 179.012278 0.006987904069 . . . . . . . 399 ALA C . 53109 1 267 . 1 . 1 71 71 ALA CA C 13 53.7478337 . . . . . . . . 399 ALA CA . 53109 1 268 . 1 . 1 71 71 ALA N N 15 121.6701919 0 . . . . . . . 399 ALA N . 53109 1 269 . 1 . 1 72 72 ALA H H 1 7.942187641 0.00175433729 . . . . . . . 400 ALA H . 53109 1 270 . 1 . 1 72 72 ALA C C 13 179.0881986 0.005011005625 . . . . . . . 400 ALA C . 53109 1 271 . 1 . 1 72 72 ALA CA C 13 53.67221454 . . . . . . . . 400 ALA CA . 53109 1 272 . 1 . 1 72 72 ALA N N 15 121.8218147 0 . . . . . . . 400 ALA N . 53109 1 273 . 1 . 1 73 73 ALA H H 1 8.123951612 0.004254812776 . . . . . . . 401 ALA H . 53109 1 274 . 1 . 1 73 73 ALA C C 13 178.8109221 0.01616935125 . . . . . . . 401 ALA C . 53109 1 275 . 1 . 1 73 73 ALA CA C 13 53.66849703 . . . . . . . . 401 ALA CA . 53109 1 276 . 1 . 1 73 73 ALA N N 15 121.838819 0.01034234061 . . . . . . . 401 ALA N . 53109 1 277 . 1 . 1 74 74 ALA H H 1 7.924165992 0.003942992264 . . . . . . . 402 ALA H . 53109 1 278 . 1 . 1 74 74 ALA C C 13 178.5086215 0.01462343374 . . . . . . . 402 ALA C . 53109 1 279 . 1 . 1 74 74 ALA CA C 13 53.50871177 . . . . . . . . 402 ALA CA . 53109 1 280 . 1 . 1 74 74 ALA N N 15 121.0075807 0 . . . . . . . 402 ALA N . 53109 1 281 . 1 . 1 75 75 GLN H H 1 7.977002285 0.001250475369 . . . . . . . 403 GLN H . 53109 1 282 . 1 . 1 75 75 GLN C C 13 176.4435068 0.007799064597 . . . . . . . 403 GLN C . 53109 1 283 . 1 . 1 75 75 GLN CA C 13 56.379848 . . . . . . . . 403 GLN CA . 53109 1 284 . 1 . 1 75 75 GLN N N 15 117.5479422 0 . . . . . . . 403 GLN N . 53109 1 285 . 1 . 1 76 76 CYS H H 1 8.091376886 0.002326131887 . . . . . . . 404 CYS H . 53109 1 286 . 1 . 1 76 76 CYS CA C 13 59.52888022 . . . . . . . . 404 CYS CA . 53109 1 287 . 1 . 1 76 76 CYS N N 15 119.2132018 0 . . . . . . . 404 CYS N . 53109 1 288 . 1 . 1 77 77 ARG C C 13 176.4946805 0.002259589163 . . . . . . . 405 ARG C . 53109 1 289 . 1 . 1 78 78 TYR H H 1 8.271896756 0.0010148745 . . . . . . . 406 TYR H . 53109 1 290 . 1 . 1 78 78 TYR C C 13 176.61452 0.003445510614 . . . . . . . 406 TYR C . 53109 1 291 . 1 . 1 78 78 TYR N N 15 120.095241 0 . . . . . . . 406 TYR N . 53109 1 292 . 1 . 1 79 79 GLY H H 1 8.332113922 0.006322596603 . . . . . . . 407 GLY H . 53109 1 293 . 1 . 1 79 79 GLY C C 13 173.962818 0.002025521631 . . . . . . . 407 GLY C . 53109 1 294 . 1 . 1 79 79 GLY CA C 13 45.36828624 0.02084877889 . . . . . . . 407 GLY CA . 53109 1 295 . 1 . 1 79 79 GLY N N 15 109.9226358 0 . . . . . . . 407 GLY N . 53109 1 296 . 1 . 1 80 80 ASP H H 1 8.247624962 0.006132069479 . . . . . . . 408 ASP H . 53109 1 297 . 1 . 1 80 80 ASP C C 13 176.8850761 . . . . . . . . 408 ASP C . 53109 1 298 . 1 . 1 80 80 ASP CA C 13 54.36555905 . . . . . . . . 408 ASP CA . 53109 1 299 . 1 . 1 80 80 ASP N N 15 120.5606045 0.01657698308 . . . . . . . 408 ASP N . 53109 1 300 . 1 . 1 81 81 LEU H H 1 8.304421261 0.0001105005171 . . . . . . . 409 LEU H . 53109 1 301 . 1 . 1 81 81 LEU CA C 13 56.33041353 . . . . . . . . 409 LEU CA . 53109 1 302 . 1 . 1 81 81 LEU N N 15 122.6659784 0.0002075901683 . . . . . . . 409 LEU N . 53109 1 303 . 1 . 1 82 82 ALA C C 13 178.656508 0.002886691343 . . . . . . . 410 ALA C . 53109 1 304 . 1 . 1 82 82 ALA CA C 13 53.45661604 . . . . . . . . 410 ALA CA . 53109 1 305 . 1 . 1 82 82 ALA CB C 13 18.5077779 . . . . . . . . 410 ALA CB . 53109 1 306 . 1 . 1 83 83 SER H H 1 8.097370581 0.002179402561 . . . . . . . 411 SER H . 53109 1 307 . 1 . 1 83 83 SER C C 13 175.0738799 0.0003468910852 . . . . . . . 411 SER C . 53109 1 308 . 1 . 1 83 83 SER CA C 13 58.94780706 0.02783896567 . . . . . . . 411 SER CA . 53109 1 309 . 1 . 1 83 83 SER CB C 13 63.50089642 0.01318544995 . . . . . . . 411 SER CB . 53109 1 310 . 1 . 1 83 83 SER N N 15 113.7731082 0.02536879595 . . . . . . . 411 SER N . 53109 1 311 . 1 . 1 84 84 LEU H H 1 8.052267428 0.002354449996 . . . . . . . 412 LEU H . 53109 1 312 . 1 . 1 84 84 LEU C C 13 177.5329276 0.001816404866 . . . . . . . 412 LEU C . 53109 1 313 . 1 . 1 84 84 LEU CA C 13 55.73499251 0.03588687232 . . . . . . . 412 LEU CA . 53109 1 314 . 1 . 1 84 84 LEU N N 15 123.2719559 0.0000030 . . . . . . . 412 LEU N . 53109 1 315 . 1 . 1 85 85 HIS H H 1 8.19480772 0.002947947609 . . . . . . . 413 HIS H . 53109 1 316 . 1 . 1 85 85 HIS C C 13 176.0846479 0.01710394231 . . . . . . . 413 HIS C . 53109 1 317 . 1 . 1 85 85 HIS CA C 13 56.40998085 0.04027215756 . . . . . . . 413 HIS CA . 53109 1 318 . 1 . 1 85 85 HIS CB C 13 30.49174757 0.05334009416 . . . . . . . 413 HIS CB . 53109 1 319 . 1 . 1 85 85 HIS N N 15 118.6911413 0.0000023 . . . . . . . 413 HIS N . 53109 1 320 . 1 . 1 86 86 GLY H H 1 8.305176248 0.001912123756 . . . . . . . 414 GLY H . 53109 1 321 . 1 . 1 86 86 GLY C C 13 174.0954629 0.001803574385 . . . . . . . 414 GLY C . 53109 1 322 . 1 . 1 86 86 GLY CA C 13 45.33140216 0.02091842219 . . . . . . . 414 GLY CA . 53109 1 323 . 1 . 1 86 86 GLY N N 15 109.7507577 0.0004016791992 . . . . . . . 414 GLY N . 53109 1 324 . 1 . 1 87 87 ALA H H 1 8.324334115 0.001597455668 . . . . . . . 415 ALA H . 53109 1 325 . 1 . 1 87 87 ALA C C 13 178.4033923 0.006359734472 . . . . . . . 415 ALA C . 53109 1 326 . 1 . 1 87 87 ALA CA C 13 52.77370355 0.04093937163 . . . . . . . 415 ALA CA . 53109 1 327 . 1 . 1 87 87 ALA CB C 13 19.07155435 0.0274989564 . . . . . . . 415 ALA CB . 53109 1 328 . 1 . 1 87 87 ALA N N 15 123.8837626 0.03798327762 . . . . . . . 415 ALA N . 53109 1 329 . 1 . 1 88 88 GLY H H 1 8.479772092 0.002423627557 . . . . . . . 416 GLY H . 53109 1 330 . 1 . 1 88 88 GLY C C 13 174.029947 0.006796182417 . . . . . . . 416 GLY C . 53109 1 331 . 1 . 1 88 88 GLY CA C 13 45.18288222 0.008607324989 . . . . . . . 416 GLY CA . 53109 1 332 . 1 . 1 88 88 GLY N N 15 108.2240048 0.01011131133 . . . . . . . 416 GLY N . 53109 1 333 . 1 . 1 89 89 ALA H H 1 8.177820261 0.001135914157 . . . . . . . 417 ALA H . 53109 1 334 . 1 . 1 89 89 ALA C C 13 177.4551278 0.01173386633 . . . . . . . 417 ALA C . 53109 1 335 . 1 . 1 89 89 ALA CA C 13 52.47361761 0.002035500933 . . . . . . . 417 ALA CA . 53109 1 336 . 1 . 1 89 89 ALA CB C 13 19.30801186 0.00694196528 . . . . . . . 417 ALA CB . 53109 1 337 . 1 . 1 89 89 ALA N N 15 123.7981318 0.0000023 . . . . . . . 417 ALA N . 53109 1 338 . 1 . 1 90 90 ALA H H 1 8.364255816 0.001218092135 . . . . . . . 418 ALA H . 53109 1 339 . 1 . 1 90 90 ALA C C 13 177.8450508 0.01537978373 . . . . . . . 418 ALA C . 53109 1 340 . 1 . 1 90 90 ALA CA C 13 52.3347238 0.06425936636 . . . . . . . 418 ALA CA . 53109 1 341 . 1 . 1 90 90 ALA CB C 13 19.39942452 0.0023041486 . . . . . . . 418 ALA CB . 53109 1 342 . 1 . 1 90 90 ALA N N 15 123.0138009 0.0000027 . . . . . . . 418 ALA N . 53109 1 343 . 1 . 1 91 91 GLY H H 1 8.209987944 0.001401152039 . . . . . . . 419 GLY H . 53109 1 344 . 1 . 1 91 91 GLY C C 13 178.9936788 0.001374861032 . . . . . . . 419 GLY C . 53109 1 345 . 1 . 1 91 91 GLY CA C 13 44.47595411 0.0085457186 . . . . . . . 419 GLY CA . 53109 1 346 . 1 . 1 91 91 GLY N N 15 108.0434011 0.007856529005 . . . . . . . 419 GLY N . 53109 1 347 . 1 . 1 92 92 PRO C C 13 177.8402792 0.006064073256 . . . . . . . 420 PRO C . 53109 1 348 . 1 . 1 92 92 PRO CA C 13 63.60173394 . . . . . . . . 420 PRO CA . 53109 1 349 . 1 . 1 92 92 PRO CB C 13 32.00018272 . . . . . . . . 420 PRO CB . 53109 1 350 . 1 . 1 93 93 GLY H H 1 8.693494479 0.002080032323 . . . . . . . 421 GLY H . 53109 1 351 . 1 . 1 93 93 GLY C C 13 174.4390292 0.00942505746 . . . . . . . 421 GLY C . 53109 1 352 . 1 . 1 93 93 GLY CA C 13 45.2782077 0.0147802414 . . . . . . . 421 GLY CA . 53109 1 353 . 1 . 1 93 93 GLY N N 15 110.1336986 0.006740295753 . . . . . . . 421 GLY N . 53109 1 354 . 1 . 1 94 94 SER H H 1 8.295342075 0.001293261728 . . . . . . . 422 SER H . 53109 1 355 . 1 . 1 94 94 SER C C 13 175.1186698 0.0161526241 . . . . . . . 422 SER C . 53109 1 356 . 1 . 1 94 94 SER CA C 13 58.7918838 0.0263607482 . . . . . . . 422 SER CA . 53109 1 357 . 1 . 1 94 94 SER CB C 13 63.96938674 0.04842396501 . . . . . . . 422 SER CB . 53109 1 358 . 1 . 1 94 94 SER N N 15 115.618606 0.002897604093 . . . . . . . 422 SER N . 53109 1 359 . 1 . 1 95 95 GLY H H 1 8.588522364 0.003663264851 . . . . . . . 423 GLY H . 53109 1 360 . 1 . 1 95 95 GLY C C 13 173.7961429 0.01042458704 . . . . . . . 423 GLY C . 53109 1 361 . 1 . 1 95 95 GLY CA C 13 45.01423085 0.009346310832 . . . . . . . 423 GLY CA . 53109 1 362 . 1 . 1 95 95 GLY N N 15 110.9158621 0.005794489831 . . . . . . . 423 GLY N . 53109 1 363 . 1 . 1 96 96 SER H H 1 8.26766637 0.001144919269 . . . . . . . 424 SER H . 53109 1 364 . 1 . 1 96 96 SER CA C 13 56.43610986 0.0052469919 . . . . . . . 424 SER CA . 53109 1 365 . 1 . 1 96 96 SER CB C 13 63.44992932 . . . . . . . . 424 SER CB . 53109 1 366 . 1 . 1 96 96 SER N N 15 116.881194 0.01319100044 . . . . . . . 424 SER N . 53109 1 367 . 1 . 1 97 97 PRO C C 13 177.1605662 0.002145157621 . . . . . . . 425 PRO C . 53109 1 368 . 1 . 1 97 97 PRO CA C 13 63.59427482 0 . . . . . . . 425 PRO CA . 53109 1 369 . 1 . 1 97 97 PRO CB C 13 31.9542869 . . . . . . . . 425 PRO CB . 53109 1 370 . 1 . 1 98 98 SER H H 1 8.436280041 0.0008951146774 . . . . . . . 426 SER H . 53109 1 371 . 1 . 1 98 98 SER C C 13 174.581364 0.01261459637 . . . . . . . 426 SER C . 53109 1 372 . 1 . 1 98 98 SER CA C 13 58.38921887 0.05849279 . . . . . . . 426 SER CA . 53109 1 373 . 1 . 1 98 98 SER CB C 13 63.9121986 . . . . . . . . 426 SER CB . 53109 1 374 . 1 . 1 98 98 SER N N 15 115.8690422 0.003937728066 . . . . . . . 426 SER N . 53109 1 375 . 1 . 1 99 99 ALA H H 1 8.402070782 0.002730560091 . . . . . . . 427 ALA H . 53109 1 376 . 1 . 1 99 99 ALA C C 13 177.781971 0.01549179182 . . . . . . . 427 ALA C . 53109 1 377 . 1 . 1 99 99 ALA CA C 13 52.85757383 0.04087246571 . . . . . . . 427 ALA CA . 53109 1 378 . 1 . 1 99 99 ALA CB C 13 18.95106794 0.01640208803 . . . . . . . 427 ALA CB . 53109 1 379 . 1 . 1 99 99 ALA N N 15 126.3429246 0.02511854466 . . . . . . . 427 ALA N . 53109 1 380 . 1 . 1 100 100 ALA H H 1 8.286006476 0.0006286354016 . . . . . . . 428 ALA H . 53109 1 381 . 1 . 1 100 100 ALA C C 13 177.9327393 . . . . . . . . 428 ALA C . 53109 1 382 . 1 . 1 100 100 ALA CA C 13 52.71133171 . . . . . . . . 428 ALA CA . 53109 1 383 . 1 . 1 100 100 ALA CB C 13 18.93977068 0.005104832349 . . . . . . . 428 ALA CB . 53109 1 384 . 1 . 1 100 100 ALA N N 15 122.9204677 0.004223783604 . . . . . . . 428 ALA N . 53109 1 385 . 1 . 1 101 101 ALA H H 1 8.297030855 0.0009406295768 . . . . . . . 429 ALA H . 53109 1 386 . 1 . 1 101 101 ALA C C 13 178.1081536 0.02528807149 . . . . . . . 429 ALA C . 53109 1 387 . 1 . 1 101 101 ALA CA C 13 52.77327349 0.0522494634 . . . . . . . 429 ALA CA . 53109 1 388 . 1 . 1 101 101 ALA CB C 13 18.9324956 0.01237990893 . . . . . . . 429 ALA CB . 53109 1 389 . 1 . 1 101 101 ALA N N 15 123.057491 0.001888851598 . . . . . . . 429 ALA N . 53109 1 390 . 1 . 1 102 102 SER H H 1 8.270681249 0.002245504018 . . . . . . . 430 SER H . 53109 1 391 . 1 . 1 102 102 SER C C 13 174.8769506 0.003342239232 . . . . . . . 430 SER C . 53109 1 392 . 1 . 1 102 102 SER CA C 13 58.54635227 0 . . . . . . . 430 SER CA . 53109 1 393 . 1 . 1 102 102 SER CB C 13 63.64318185 . . . . . . . . 430 SER CB . 53109 1 394 . 1 . 1 102 102 SER N N 15 114.6903745 0.01694245076 . . . . . . . 430 SER N . 53109 1 395 . 1 . 1 103 103 SER H H 1 8.364926942 0.0004849265251 . . . . . . . 431 SER H . 53109 1 396 . 1 . 1 103 103 SER C C 13 174.7008069 0.007042116357 . . . . . . . 431 SER C . 53109 1 397 . 1 . 1 103 103 SER CA C 13 58.67399852 . . . . . . . . 431 SER CA . 53109 1 398 . 1 . 1 103 103 SER N N 15 117.6786961 0 . . . . . . . 431 SER N . 53109 1 399 . 1 . 1 104 104 SER H H 1 8.356204287 0.002861494954 . . . . . . . 432 SER H . 53109 1 400 . 1 . 1 104 104 SER C C 13 174.5475763 0.01092906839 . . . . . . . 432 SER C . 53109 1 401 . 1 . 1 104 104 SER CA C 13 58.44569942 . . . . . . . . 432 SER CA . 53109 1 402 . 1 . 1 104 104 SER CB C 13 63.43483118 . . . . . . . . 432 SER CB . 53109 1 403 . 1 . 1 104 104 SER N N 15 117.4986509 0.0000019 . . . . . . . 432 SER N . 53109 1 404 . 1 . 1 105 105 TRP H H 1 8.105308097 0.001386982395 . . . . . . . 433 TRP H . 53109 1 405 . 1 . 1 105 105 TRP CA C 13 57.95487393 . . . . . . . . 433 TRP CA . 53109 1 406 . 1 . 1 105 105 TRP N N 15 122.6442346 0.005100840104 . . . . . . . 433 TRP N . 53109 1 407 . 1 . 1 106 106 HIS C C 13 175.5632769 0.01081363801 . . . . . . . 434 HIS C . 53109 1 408 . 1 . 1 107 107 THR H H 1 7.950481723 0.002323850083 . . . . . . . 435 THR H . 53109 1 409 . 1 . 1 107 107 THR C C 13 174.3361442 . . . . . . . . 435 THR C . 53109 1 410 . 1 . 1 107 107 THR N N 15 114.727931 0.00540773804 . . . . . . . 435 THR N . 53109 1 411 . 1 . 1 108 108 LEU H H 1 8.173573033 0.0001479356544 . . . . . . . 436 LEU H . 53109 1 412 . 1 . 1 108 108 LEU N N 15 123.8439916 0.001014804477 . . . . . . . 436 LEU N . 53109 1 413 . 1 . 1 109 109 PHE H H 1 8.179341356 . . . . . . . . 437 PHE H . 53109 1 414 . 1 . 1 109 109 PHE C C 13 175.8278 0.01316404784 . . . . . . . 437 PHE C . 53109 1 415 . 1 . 1 110 110 THR H H 1 8.181092209 0.001531196526 . . . . . . . 438 THR H . 53109 1 416 . 1 . 1 110 110 THR C C 13 174.1118768 0.005996134115 . . . . . . . 438 THR C . 53109 1 417 . 1 . 1 110 110 THR CA C 13 61.55001289 . . . . . . . . 438 THR CA . 53109 1 418 . 1 . 1 110 110 THR CB C 13 69.99068569 . . . . . . . . 438 THR CB . 53109 1 419 . 1 . 1 110 110 THR N N 15 115.6875591 0 . . . . . . . 438 THR N . 53109 1 420 . 1 . 1 111 111 ALA H H 1 8.436367353 0.003631283215 . . . . . . . 439 ALA H . 53109 1 421 . 1 . 1 111 111 ALA C C 13 178.104001 0.009119343787 . . . . . . . 439 ALA C . 53109 1 422 . 1 . 1 111 111 ALA CA C 13 52.86131686 0.06600779421 . . . . . . . 439 ALA CA . 53109 1 423 . 1 . 1 111 111 ALA CB C 13 19.33551434 . . . . . . . . 439 ALA CB . 53109 1 424 . 1 . 1 111 111 ALA N N 15 126.194321 0.0000019 . . . . . . . 439 ALA N . 53109 1 425 . 1 . 1 112 112 GLU H H 1 8.488963526 0.002078244363 . . . . . . . 440 GLU H . 53109 1 426 . 1 . 1 112 112 GLU C C 13 177.0166141 0.003718017444 . . . . . . . 440 GLU C . 53109 1 427 . 1 . 1 112 112 GLU CA C 13 57.08394495 0 . . . . . . . 440 GLU CA . 53109 1 428 . 1 . 1 112 112 GLU CB C 13 29.96099702 0.04116315395 . . . . . . . 440 GLU CB . 53109 1 429 . 1 . 1 112 112 GLU N N 15 119.9333932 0.007052187822 . . . . . . . 440 GLU N . 53109 1 430 . 1 . 1 113 113 GLU H H 1 8.481007543 0.002472632437 . . . . . . . 441 GLU H . 53109 1 431 . 1 . 1 113 113 GLU C C 13 177.3502525 0.008780551472 . . . . . . . 441 GLU C . 53109 1 432 . 1 . 1 113 113 GLU CA C 13 57.42431391 0.03433307447 . . . . . . . 441 GLU CA . 53109 1 433 . 1 . 1 113 113 GLU N N 15 121.749215 0.0000023 . . . . . . . 441 GLU N . 53109 1 434 . 1 . 1 114 114 GLY H H 1 8.516738087 0.002562810644 . . . . . . . 442 GLY H . 53109 1 435 . 1 . 1 114 114 GLY C C 13 174.2615688 0.005252078673 . . . . . . . 442 GLY C . 53109 1 436 . 1 . 1 114 114 GLY CA C 13 45.48480497 0.04212358164 . . . . . . . 442 GLY CA . 53109 1 437 . 1 . 1 114 114 GLY N N 15 109.5782825 0.004787693169 . . . . . . . 442 GLY N . 53109 1 438 . 1 . 1 115 115 GLN H H 1 8.100902459 0.001656912391 . . . . . . . 443 GLN H . 53109 1 439 . 1 . 1 115 115 GLN C C 13 175.9057177 0.002785117632 . . . . . . . 443 GLN C . 53109 1 440 . 1 . 1 115 115 GLN CA C 13 55.81701134 0 . . . . . . . 443 GLN CA . 53109 1 441 . 1 . 1 115 115 GLN CB C 13 29.40240274 . . . . . . . . 443 GLN CB . 53109 1 442 . 1 . 1 115 115 GLN N N 15 119.4778469 0.01102783084 . . . . . . . 443 GLN N . 53109 1 443 . 1 . 1 116 116 LEU H H 1 8.226697243 0.001487070528 . . . . . . . 444 LEU H . 53109 1 444 . 1 . 1 116 116 LEU C C 13 177.2475851 0.004552400485 . . . . . . . 444 LEU C . 53109 1 445 . 1 . 1 116 116 LEU CA C 13 55.28829625 . . . . . . . . 444 LEU CA . 53109 1 446 . 1 . 1 116 116 LEU N N 15 122.8263812 0 . . . . . . . 444 LEU N . 53109 1 447 . 1 . 1 117 117 TYR H H 1 8.209647769 0.001203198227 . . . . . . . 445 TYR H . 53109 1 448 . 1 . 1 117 117 TYR C C 13 175.9562998 0.004379071005 . . . . . . . 445 TYR C . 53109 1 449 . 1 . 1 117 117 TYR CB C 13 39.09503933 . . . . . . . . 445 TYR CB . 53109 1 450 . 1 . 1 117 117 TYR N N 15 119.8341156 0.0000019 . . . . . . . 445 TYR N . 53109 1 451 . 1 . 1 118 118 GLY H H 1 8.160772447 0.001305469355 . . . . . . . 446 GLY H . 53109 1 452 . 1 . 1 118 118 GLY CA C 13 44.568291 0 . . . . . . . 446 GLY CA . 53109 1 453 . 1 . 1 118 118 GLY N N 15 109.6623967 0 . . . . . . . 446 GLY N . 53109 1 454 . 1 . 1 119 119 PRO C C 13 177.4244673 0.005328121649 . . . . . . . 447 PRO C . 53109 1 455 . 1 . 1 119 119 PRO CA C 13 63.39568093 0.02775495173 . . . . . . . 447 PRO CA . 53109 1 456 . 1 . 1 119 119 PRO CB C 13 31.98587403 . . . . . . . . 447 PRO CB . 53109 1 457 . 1 . 1 120 120 CYS H H 1 8.666282566 0.001628367561 . . . . . . . 448 CYS H . 53109 1 458 . 1 . 1 120 120 CYS C C 13 175.3632908 0.007515177748 . . . . . . . 448 CYS C . 53109 1 459 . 1 . 1 120 120 CYS CA C 13 58.9880334 . . . . . . . . 448 CYS CA . 53109 1 460 . 1 . 1 120 120 CYS CB C 13 27.92779276 0.05952728997 . . . . . . . 448 CYS CB . 53109 1 461 . 1 . 1 120 120 CYS N N 15 119.3329768 0.02648913685 . . . . . . . 448 CYS N . 53109 1 462 . 1 . 1 121 121 GLY H H 1 8.512143222 0.001604404693 . . . . . . . 449 GLY H . 53109 1 463 . 1 . 1 121 121 GLY C C 13 174.7349456 0.007185952364 . . . . . . . 449 GLY C . 53109 1 464 . 1 . 1 121 121 GLY CA C 13 45.29323511 0.05375776254 . . . . . . . 449 GLY CA . 53109 1 465 . 1 . 1 121 121 GLY N N 15 111.1668182 0.0000013 . . . . . . . 449 GLY N . 53109 1 466 . 1 . 1 122 122 GLY H H 1 8.494580786 0.000812491506 . . . . . . . 450 GLY H . 53109 1 467 . 1 . 1 122 122 GLY C C 13 174.6084254 . . . . . . . . 450 GLY C . 53109 1 468 . 1 . 1 122 122 GLY CA C 13 45.22133423 . . . . . . . . 450 GLY CA . 53109 1 469 . 1 . 1 122 122 GLY N N 15 108.9476201 0.003852000475 . . . . . . . 450 GLY N . 53109 1 470 . 1 . 1 123 123 GLY H H 1 8.420794457 0.001244838935 . . . . . . . 451 GLY H . 53109 1 471 . 1 . 1 123 123 GLY C C 13 174.8113115 0.002205196941 . . . . . . . 451 GLY C . 53109 1 472 . 1 . 1 123 123 GLY CA C 13 45.24726066 0.02780009666 . . . . . . . 451 GLY CA . 53109 1 473 . 1 . 1 123 123 GLY N N 15 108.9282428 0.02231138765 . . . . . . . 451 GLY N . 53109 1 474 . 1 . 1 124 124 GLY H H 1 8.411264231 0.001727254435 . . . . . . . 452 GLY H . 53109 1 475 . 1 . 1 124 124 GLY C C 13 174.3238963 0.002635231139 . . . . . . . 452 GLY C . 53109 1 476 . 1 . 1 124 124 GLY CA C 13 45.07215157 0.0117628536 . . . . . . . 452 GLY CA . 53109 1 477 . 1 . 1 124 124 GLY N N 15 108.9080157 0.0001547893033 . . . . . . . 452 GLY N . 53109 1 478 . 1 . 1 125 125 GLU H H 1 8.552988743 0.002034983032 . . . . . . . 453 GLU H . 53109 1 479 . 1 . 1 125 125 GLU C C 13 176.7017724 0.004196479526 . . . . . . . 453 GLU C . 53109 1 480 . 1 . 1 125 125 GLU CA C 13 56.67363703 0.03200322121 . . . . . . . 453 GLU CA . 53109 1 481 . 1 . 1 125 125 GLU CB C 13 30.02444794 0.003781876081 . . . . . . . 453 GLU CB . 53109 1 482 . 1 . 1 125 125 GLU N N 15 121.0624239 0.01403388227 . . . . . . . 453 GLU N . 53109 1 483 . 1 . 1 126 126 ALA H H 1 8.561001717 0.001338139159 . . . . . . . 454 ALA H . 53109 1 484 . 1 . 1 126 126 ALA C C 13 178.409104 0.008901419514 . . . . . . . 454 ALA C . 53109 1 485 . 1 . 1 126 126 ALA CA C 13 52.94687587 0.03283135117 . . . . . . . 454 ALA CA . 53109 1 486 . 1 . 1 126 126 ALA CB C 13 18.88713812 0.05192342174 . . . . . . . 454 ALA CB . 53109 1 487 . 1 . 1 126 126 ALA N N 15 125.1645808 0.0167638621 . . . . . . . 454 ALA N . 53109 1 488 . 1 . 1 127 127 GLY H H 1 8.405371614 0.001621711534 . . . . . . . 455 GLY H . 53109 1 489 . 1 . 1 127 127 GLY C C 13 173.7607438 0.00335557108 . . . . . . . 455 GLY C . 53109 1 490 . 1 . 1 127 127 GLY CA C 13 45.06998906 0.0403354758 . . . . . . . 455 GLY CA . 53109 1 491 . 1 . 1 127 127 GLY N N 15 108.2813873 0.02266444716 . . . . . . . 455 GLY N . 53109 1 492 . 1 . 1 128 128 ALA H H 1 8.078525303 0.0007533057707 . . . . . . . 456 ALA H . 53109 1 493 . 1 . 1 128 128 ALA C C 13 177.636157 0.01553051992 . . . . . . . 456 ALA C . 53109 1 494 . 1 . 1 128 128 ALA CA C 13 52.42193436 0.05314234 . . . . . . . 456 ALA CA . 53109 1 495 . 1 . 1 128 128 ALA CB C 13 19.3839875 0.0393936472 . . . . . . . 456 ALA CB . 53109 1 496 . 1 . 1 128 128 ALA N N 15 123.5732719 0.008712276359 . . . . . . . 456 ALA N . 53109 1 497 . 1 . 1 129 129 VAL H H 1 8.206291979 0.001818550074 . . . . . . . 457 VAL H . 53109 1 498 . 1 . 1 129 129 VAL C C 13 175.5278477 0.005533933018 . . . . . . . 457 VAL C . 53109 1 499 . 1 . 1 129 129 VAL CA C 13 61.92901332 0.03799022148 . . . . . . . 457 VAL CA . 53109 1 500 . 1 . 1 129 129 VAL CB C 13 32.99302367 0.02518182414 . . . . . . . 457 VAL CB . 53109 1 501 . 1 . 1 129 129 VAL N N 15 119.5595515 0.01908572396 . . . . . . . 457 VAL N . 53109 1 502 . 1 . 1 130 130 ALA H H 1 8.449192393 0.001255213647 . . . . . . . 458 ALA H . 53109 1 503 . 1 . 1 130 130 ALA C C 13 175.3208932 . . . . . . . . 458 ALA C . 53109 1 504 . 1 . 1 130 130 ALA CA C 13 50.41394105 0 . . . . . . . 458 ALA CA . 53109 1 505 . 1 . 1 130 130 ALA CB C 13 18.29492321 . . . . . . . . 458 ALA CB . 53109 1 506 . 1 . 1 130 130 ALA N N 15 129.3154876 0.02419373627 . . . . . . . 458 ALA N . 53109 1 507 . 1 . 1 132 132 TYR C C 13 176.441459 0.01773808254 . . . . . . . 460 TYR C . 53109 1 508 . 1 . 1 133 133 GLY H H 1 8.257742531 0.00182376909 . . . . . . . 461 GLY H . 53109 1 509 . 1 . 1 133 133 GLY C C 13 173.4438121 . . . . . . . . 461 GLY C . 53109 1 510 . 1 . 1 133 133 GLY CA C 13 45.15836196 . . . . . . . . 461 GLY CA . 53109 1 511 . 1 . 1 133 133 GLY N N 15 111.1382834 0 . . . . . . . 461 GLY N . 53109 1 512 . 1 . 1 134 134 TYR H H 1 7.992033432 0.006584971922 . . . . . . . 462 TYR H . 53109 1 513 . 1 . 1 134 134 TYR C C 13 175.6461231 0.0003912529517 . . . . . . . 462 TYR C . 53109 1 514 . 1 . 1 134 134 TYR CA C 13 58.02462855 . . . . . . . . 462 TYR CA . 53109 1 515 . 1 . 1 134 134 TYR N N 15 120.2016954 0.01236119179 . . . . . . . 462 TYR N . 53109 1 516 . 1 . 1 135 135 THR H H 1 8.12000074 0.001911827186 . . . . . . . 463 THR H . 53109 1 517 . 1 . 1 135 135 THR C C 13 173.2932608 0.001015462094 . . . . . . . 463 THR C . 53109 1 518 . 1 . 1 135 135 THR N N 15 117.9370139 0.01512658569 . . . . . . . 463 THR N . 53109 1 519 . 1 . 1 136 136 ARG H H 1 8.406547934 0.001141650257 . . . . . . . 464 ARG H . 53109 1 520 . 1 . 1 136 136 ARG CA C 13 54.09429967 . . . . . . . . 464 ARG CA . 53109 1 521 . 1 . 1 136 136 ARG N N 15 125.3013675 0 . . . . . . . 464 ARG N . 53109 1 522 . 1 . 1 138 138 PRO C C 13 176.8461536 0.002614435826 . . . . . . . 466 PRO C . 53109 1 523 . 1 . 1 138 138 PRO CA C 13 63.05832011 0.0337434004 . . . . . . . 466 PRO CA . 53109 1 524 . 1 . 1 138 138 PRO CB C 13 31.93542857 . . . . . . . . 466 PRO CB . 53109 1 525 . 1 . 1 139 139 GLN H H 1 8.610046044 0.002639872491 . . . . . . . 467 GLN H . 53109 1 526 . 1 . 1 139 139 GLN C C 13 176.472095 0.003243902685 . . . . . . . 467 GLN C . 53109 1 527 . 1 . 1 139 139 GLN CA C 13 55.9071947 0.07345133949 . . . . . . . 467 GLN CA . 53109 1 528 . 1 . 1 139 139 GLN CB C 13 29.73173727 0.06706343458 . . . . . . . 467 GLN CB . 53109 1 529 . 1 . 1 139 139 GLN N N 15 120.5427753 0.02933811136 . . . . . . . 467 GLN N . 53109 1 530 . 1 . 1 140 140 GLY H H 1 8.524368951 0.002535703152 . . . . . . . 468 GLY H . 53109 1 531 . 1 . 1 140 140 GLY C C 13 173.9754091 0.0000956 . . . . . . . 468 GLY C . 53109 1 532 . 1 . 1 140 140 GLY CA C 13 45.13903982 0.0231806946 . . . . . . . 468 GLY CA . 53109 1 533 . 1 . 1 140 140 GLY N N 15 110.3068146 0.01918349438 . . . . . . . 468 GLY N . 53109 1 534 . 1 . 1 141 141 LEU H H 1 8.262821651 0.002424256913 . . . . . . . 469 LEU H . 53109 1 535 . 1 . 1 141 141 LEU C C 13 177.3509081 0.0003875345676 . . . . . . . 469 LEU C . 53109 1 536 . 1 . 1 141 141 LEU CA C 13 54.9979377 0.01770734893 . . . . . . . 469 LEU CA . 53109 1 537 . 1 . 1 141 141 LEU CB C 13 42.47342844 0.005936794987 . . . . . . . 469 LEU CB . 53109 1 538 . 1 . 1 141 141 LEU N N 15 121.8519183 0.01526732683 . . . . . . . 469 LEU N . 53109 1 539 . 1 . 1 142 142 ALA H H 1 8.491526132 0.0009530971017 . . . . . . . 470 ALA H . 53109 1 540 . 1 . 1 142 142 ALA C C 13 178.3662608 0.01098154861 . . . . . . . 470 ALA C . 53109 1 541 . 1 . 1 142 142 ALA CA C 13 52.88926904 0.02404669183 . . . . . . . 470 ALA CA . 53109 1 542 . 1 . 1 142 142 ALA CB C 13 18.93802814 0.01084693874 . . . . . . . 470 ALA CB . 53109 1 543 . 1 . 1 142 142 ALA N N 15 124.9056665 0.01341321089 . . . . . . . 470 ALA N . 53109 1 544 . 1 . 1 143 143 GLY H H 1 8.578985237 0.007067842224 . . . . . . . 471 GLY H . 53109 1 545 . 1 . 1 143 143 GLY C C 13 174.2954263 0.01086452804 . . . . . . . 471 GLY C . 53109 1 546 . 1 . 1 143 143 GLY CA C 13 45.30331878 0.02754754424 . . . . . . . 471 GLY CA . 53109 1 547 . 1 . 1 143 143 GLY N N 15 108.9506653 0.00353697992 . . . . . . . 471 GLY N . 53109 1 548 . 1 . 1 144 144 GLN H H 1 8.276844915 0.001035659469 . . . . . . . 472 GLN H . 53109 1 549 . 1 . 1 144 144 GLN C C 13 176.2303206 0.0123543472 . . . . . . . 472 GLN C . 53109 1 550 . 1 . 1 144 144 GLN CA C 13 55.62321687 0.02627061329 . . . . . . . 472 GLN CA . 53109 1 551 . 1 . 1 144 144 GLN CB C 13 29.44714186 0.01624246941 . . . . . . . 472 GLN CB . 53109 1 552 . 1 . 1 144 144 GLN N N 15 119.6358177 0.00476066558 . . . . . . . 472 GLN N . 53109 1 553 . 1 . 1 145 145 GLU H H 1 8.796109823 0.001042530909 . . . . . . . 473 GLU H . 53109 1 554 . 1 . 1 145 145 GLU C C 13 176.8208269 0.003621691946 . . . . . . . 473 GLU C . 53109 1 555 . 1 . 1 145 145 GLU CA C 13 57.19099332 0.06226501582 . . . . . . . 473 GLU CA . 53109 1 556 . 1 . 1 145 145 GLU CB C 13 29.92473527 0.0349729063 . . . . . . . 473 GLU CB . 53109 1 557 . 1 . 1 145 145 GLU N N 15 122.3402382 0.0129745319 . . . . . . . 473 GLU N . 53109 1 558 . 1 . 1 146 146 SER H H 1 8.415709931 0.001321899196 . . . . . . . 474 SER H . 53109 1 559 . 1 . 1 146 146 SER C C 13 174.0539635 0.001319746054 . . . . . . . 474 SER C . 53109 1 560 . 1 . 1 146 146 SER CA C 13 58.54028576 0.05011259844 . . . . . . . 474 SER CA . 53109 1 561 . 1 . 1 146 146 SER CB C 13 63.94940629 0.003440290643 . . . . . . . 474 SER CB . 53109 1 562 . 1 . 1 146 146 SER N N 15 116.1204849 0.01135995606 . . . . . . . 474 SER N . 53109 1 563 . 1 . 1 147 147 ASP H H 1 8.357656204 0.001450313229 . . . . . . . 475 ASP H . 53109 1 564 . 1 . 1 147 147 ASP C C 13 175.932976 0.01183847676 . . . . . . . 475 ASP C . 53109 1 565 . 1 . 1 147 147 ASP CA C 13 54.34700253 0.04405178279 . . . . . . . 475 ASP CA . 53109 1 566 . 1 . 1 147 147 ASP CB C 13 40.93532156 0.002678877436 . . . . . . . 475 ASP CB . 53109 1 567 . 1 . 1 147 147 ASP N N 15 122.1144175 0.02802668475 . . . . . . . 475 ASP N . 53109 1 568 . 1 . 1 148 148 PHE H H 1 8.232779135 0.001943188063 . . . . . . . 476 PHE H . 53109 1 569 . 1 . 1 148 148 PHE C C 13 175.6706812 0.0003560770105 . . . . . . . 476 PHE C . 53109 1 570 . 1 . 1 148 148 PHE CA C 13 57.97020915 0.02069577674 . . . . . . . 476 PHE CA . 53109 1 571 . 1 . 1 148 148 PHE CB C 13 39.43610284 0.01690033716 . . . . . . . 476 PHE CB . 53109 1 572 . 1 . 1 148 148 PHE N N 15 120.6834827 0.005098789922 . . . . . . . 476 PHE N . 53109 1 573 . 1 . 1 149 149 THR H H 1 8.112952847 0.00272457186 . . . . . . . 477 THR H . 53109 1 574 . 1 . 1 149 149 THR C C 13 173.4525126 0.003091789189 . . . . . . . 477 THR C . 53109 1 575 . 1 . 1 149 149 THR CA C 13 61.69150172 0.03752489891 . . . . . . . 477 THR CA . 53109 1 576 . 1 . 1 149 149 THR CB C 13 69.99338803 0.004415240393 . . . . . . . 477 THR CB . 53109 1 577 . 1 . 1 149 149 THR N N 15 116.9973284 0.01701524153 . . . . . . . 477 THR N . 53109 1 578 . 1 . 1 150 150 ALA H H 1 8.351569084 0.001644906513 . . . . . . . 478 ALA H . 53109 1 579 . 1 . 1 150 150 ALA C C 13 175.4190764 . . . . . . . . 478 ALA C . 53109 1 580 . 1 . 1 150 150 ALA CA C 13 50.58141994 0.04253535463 . . . . . . . 478 ALA CA . 53109 1 581 . 1 . 1 150 150 ALA N N 15 128.4354769 0.03270977062 . . . . . . . 478 ALA N . 53109 1 582 . 1 . 1 151 151 PRO C C 13 176.486661 0.003384785097 . . . . . . . 479 PRO C . 53109 1 583 . 1 . 1 151 151 PRO CA C 13 63.01445733 0.06159689043 . . . . . . . 479 PRO CA . 53109 1 584 . 1 . 1 152 152 ASP H H 1 8.464459525 0.001136116334 . . . . . . . 480 ASP H . 53109 1 585 . 1 . 1 152 152 ASP C C 13 176.0377385 0.01293592065 . . . . . . . 480 ASP C . 53109 1 586 . 1 . 1 152 152 ASP CA C 13 54.39051525 0.07810655238 . . . . . . . 480 ASP CA . 53109 1 587 . 1 . 1 152 152 ASP CB C 13 40.98010374 . . . . . . . . 480 ASP CB . 53109 1 588 . 1 . 1 152 152 ASP N N 15 119.8666703 0.03756081024 . . . . . . . 480 ASP N . 53109 1 589 . 1 . 1 153 153 VAL H H 1 7.967014239 0.001522618317 . . . . . . . 481 VAL H . 53109 1 590 . 1 . 1 153 153 VAL C C 13 175.1001757 0.001046978048 . . . . . . . 481 VAL C . 53109 1 591 . 1 . 1 153 153 VAL CA C 13 62.04586199 . . . . . . . . 481 VAL CA . 53109 1 592 . 1 . 1 153 153 VAL N N 15 119.4936915 0.01035290926 . . . . . . . 481 VAL N . 53109 1 593 . 1 . 1 154 154 TRP H H 1 8.267224602 0.005981071629 . . . . . . . 482 TRP H . 53109 1 594 . 1 . 1 154 154 TRP C C 13 174.8971889 0.01302337353 . . . . . . . 482 TRP C . 53109 1 595 . 1 . 1 154 154 TRP N N 15 124.7627238 0.0000019 . . . . . . . 482 TRP N . 53109 1 596 . 1 . 1 155 155 TYR H H 1 7.838984564 0.000015 . . . . . . . 483 TYR H . 53109 1 597 . 1 . 1 155 155 TYR N N 15 123.3947068 0 . . . . . . . 483 TYR N . 53109 1 598 . 1 . 1 156 156 PRO C C 13 177.5513813 . . . . . . . . 484 PRO C . 53109 1 599 . 1 . 1 157 157 GLY H H 1 8.286427535 0.0002911743451 . . . . . . . 485 GLY H . 53109 1 600 . 1 . 1 157 157 GLY C C 13 174.7665491 0.005888342653 . . . . . . . 485 GLY C . 53109 1 601 . 1 . 1 157 157 GLY N N 15 109.371325 0 . . . . . . . 485 GLY N . 53109 1 602 . 1 . 1 158 158 GLY H H 1 8.204340598 0.002705357866 . . . . . . . 486 GLY H . 53109 1 603 . 1 . 1 158 158 GLY C C 13 173.8644723 0.00016879766 . . . . . . . 486 GLY C . 53109 1 604 . 1 . 1 158 158 GLY CA C 13 45.14752962 . . . . . . . . 486 GLY CA . 53109 1 605 . 1 . 1 158 158 GLY N N 15 108.5206158 0.00447951963 . . . . . . . 486 GLY N . 53109 1 606 . 1 . 1 159 159 MET H H 1 8.271186908 0.0008233479704 . . . . . . . 487 MET H . 53109 1 607 . 1 . 1 159 159 MET C C 13 176.1508816 0.00254139873 . . . . . . . 487 MET C . 53109 1 608 . 1 . 1 159 159 MET CA C 13 54.95733069 . . . . . . . . 487 MET CA . 53109 1 609 . 1 . 1 159 159 MET N N 15 119.7363499 0.004793802349 . . . . . . . 487 MET N . 53109 1 610 . 1 . 1 160 160 VAL H H 1 8.25096802 0.003544357496 . . . . . . . 488 VAL H . 53109 1 611 . 1 . 1 160 160 VAL C C 13 175.9229044 0.003700576847 . . . . . . . 488 VAL C . 53109 1 612 . 1 . 1 160 160 VAL CA C 13 62.25311964 . . . . . . . . 488 VAL CA . 53109 1 613 . 1 . 1 160 160 VAL N N 15 121.3727655 0.04477982198 . . . . . . . 488 VAL N . 53109 1 614 . 1 . 1 161 161 SER H H 1 8.428316193 0.002558133801 . . . . . . . 489 SER H . 53109 1 615 . 1 . 1 161 161 SER C C 13 174.2352159 0.01253122652 . . . . . . . 489 SER C . 53109 1 616 . 1 . 1 161 161 SER CA C 13 58.27575681 . . . . . . . . 489 SER CA . 53109 1 617 . 1 . 1 161 161 SER N N 15 119.545755 0.008702566325 . . . . . . . 489 SER N . 53109 1 618 . 1 . 1 162 162 ARG H H 1 8.48079948 0.002071459013 . . . . . . . 490 ARG H . 53109 1 619 . 1 . 1 162 162 ARG C C 13 175.9412763 . . . . . . . . 490 ARG C . 53109 1 620 . 1 . 1 162 162 ARG CA C 13 55.87675487 . . . . . . . . 490 ARG CA . 53109 1 621 . 1 . 1 162 162 ARG N N 15 123.506725 0 . . . . . . . 490 ARG N . 53109 1 622 . 1 . 1 163 163 VAL H H 1 8.214667125 0.00354979888 . . . . . . . 491 VAL H . 53109 1 623 . 1 . 1 163 163 VAL CA C 13 59.74620844 . . . . . . . . 491 VAL CA . 53109 1 624 . 1 . 1 163 163 VAL N N 15 122.4071571 0.0000023 . . . . . . . 491 VAL N . 53109 1 625 . 1 . 1 164 164 PRO C C 13 176.1395569 0.01144398196 . . . . . . . 492 PRO C . 53109 1 626 . 1 . 1 164 164 PRO CA C 13 62.91977829 . . . . . . . . 492 PRO CA . 53109 1 627 . 1 . 1 165 165 TYR H H 1 8.175139157 0.00627271868 . . . . . . . 493 TYR H . 53109 1 628 . 1 . 1 165 165 TYR CA C 13 55.63663748 0.0401311703 . . . . . . . 493 TYR CA . 53109 1 629 . 1 . 1 165 165 TYR N N 15 121.5432914 0.0002003351746 . . . . . . . 493 TYR N . 53109 1 630 . 1 . 1 166 166 PRO C C 13 176.3424925 0.002751707884 . . . . . . . 494 PRO C . 53109 1 631 . 1 . 1 167 167 SER H H 1 8.452433914 0.001702386293 . . . . . . . 495 SER H . 53109 1 632 . 1 . 1 167 167 SER CA C 13 56.55557946 . . . . . . . . 495 SER CA . 53109 1 633 . 1 . 1 167 167 SER N N 15 117.9348614 0 . . . . . . . 495 SER N . 53109 1 634 . 1 . 1 168 168 PRO C C 13 177.1341722 0.001406744292 . . . . . . . 496 PRO C . 53109 1 635 . 1 . 1 169 169 THR H H 1 8.272942006 0.002690146934 . . . . . . . 497 THR H . 53109 1 636 . 1 . 1 169 169 THR C C 13 174.3753305 0.007747550365 . . . . . . . 497 THR C . 53109 1 637 . 1 . 1 169 169 THR CA C 13 61.93713253 . . . . . . . . 497 THR CA . 53109 1 638 . 1 . 1 169 169 THR N N 15 113.4586636 0 . . . . . . . 497 THR N . 53109 1 639 . 1 . 1 170 170 CYS H H 1 8.302757092 0.0009214308004 . . . . . . . 498 CYS H . 53109 1 640 . 1 . 1 170 170 CYS C C 13 174.4661578 0.0110271411 . . . . . . . 498 CYS C . 53109 1 641 . 1 . 1 170 170 CYS CA C 13 58.48571439 0.05711568464 . . . . . . . 498 CYS CA . 53109 1 642 . 1 . 1 170 170 CYS CB C 13 28.19033182 . . . . . . . . 498 CYS CB . 53109 1 643 . 1 . 1 170 170 CYS N N 15 121.9965424 0.01342563118 . . . . . . . 498 CYS N . 53109 1 644 . 1 . 1 171 171 VAL H H 1 8.36371922 0.003024061631 . . . . . . . 499 VAL H . 53109 1 645 . 1 . 1 171 171 VAL C C 13 176.1302037 0.002209788308 . . . . . . . 499 VAL C . 53109 1 646 . 1 . 1 171 171 VAL CA C 13 62.48094051 0 . . . . . . . 499 VAL CA . 53109 1 647 . 1 . 1 171 171 VAL CB C 13 32.50706234 . . . . . . . . 499 VAL CB . 53109 1 648 . 1 . 1 171 171 VAL N N 15 123.3034526 0.03742120253 . . . . . . . 499 VAL N . 53109 1 649 . 1 . 1 172 172 LYS H H 1 8.564276326 0.001400581511 . . . . . . . 500 LYS H . 53109 1 650 . 1 . 1 172 172 LYS C C 13 176.6278669 0.01413471034 . . . . . . . 500 LYS C . 53109 1 651 . 1 . 1 172 172 LYS CA C 13 56.519446 0 . . . . . . . 500 LYS CA . 53109 1 652 . 1 . 1 172 172 LYS CB C 13 32.92284843 0.01298247854 . . . . . . . 500 LYS CB . 53109 1 653 . 1 . 1 172 172 LYS N N 15 125.9900417 0.02549467312 . . . . . . . 500 LYS N . 53109 1 654 . 1 . 1 173 173 SER H H 1 8.467748494 0.003177248525 . . . . . . . 501 SER H . 53109 1 655 . 1 . 1 173 173 SER C C 13 174.6668611 0.002241115976 . . . . . . . 501 SER C . 53109 1 656 . 1 . 1 173 173 SER CA C 13 58.55779647 0.06570456695 . . . . . . . 501 SER CA . 53109 1 657 . 1 . 1 173 173 SER N N 15 117.596511 0.0000023 . . . . . . . 501 SER N . 53109 1 658 . 1 . 1 174 174 GLU H H 1 8.615051829 0.0008370652813 . . . . . . . 502 GLU H . 53109 1 659 . 1 . 1 174 174 GLU C C 13 176.4266666 0.005904991803 . . . . . . . 502 GLU C . 53109 1 660 . 1 . 1 174 174 GLU CA C 13 56.60448959 0.04026341811 . . . . . . . 502 GLU CA . 53109 1 661 . 1 . 1 174 174 GLU CB C 13 30.08491995 . . . . . . . . 502 GLU CB . 53109 1 662 . 1 . 1 174 174 GLU N N 15 122.9439459 0 . . . . . . . 502 GLU N . 53109 1 663 . 1 . 1 175 175 MET H H 1 8.416112821 0.0005385224866 . . . . . . . 503 MET H . 53109 1 664 . 1 . 1 175 175 MET C C 13 176.1974802 0.002277547584 . . . . . . . 503 MET C . 53109 1 665 . 1 . 1 175 175 MET CA C 13 55.34424252 0.02156875468 . . . . . . . 503 MET CA . 53109 1 666 . 1 . 1 175 175 MET N N 15 120.3934893 0.007283743516 . . . . . . . 503 MET N . 53109 1 667 . 1 . 1 176 176 GLY H H 1 7.986823325 0.00315670046 . . . . . . . 504 GLY H . 53109 1 668 . 1 . 1 176 176 GLY CA C 13 44.73171119 0.0110136311 . . . . . . . 504 GLY CA . 53109 1 669 . 1 . 1 176 176 GLY N N 15 109.6063894 0.004248048228 . . . . . . . 504 GLY N . 53109 1 670 . 1 . 1 177 177 PRO C C 13 176.726763 . . . . . . . . 505 PRO C . 53109 1 671 . 1 . 1 177 177 PRO CA C 13 63.30038394 . . . . . . . . 505 PRO CA . 53109 1 672 . 1 . 1 178 178 TRP H H 1 7.994767277 0.0002700114355 . . . . . . . 506 TRP H . 53109 1 673 . 1 . 1 178 178 TRP C C 13 176.3516176 0.002708991759 . . . . . . . 506 TRP C . 53109 1 674 . 1 . 1 178 178 TRP CA C 13 57.92925928 . . . . . . . . 506 TRP CA . 53109 1 675 . 1 . 1 178 178 TRP N N 15 120.2076867 0.01302598589 . . . . . . . 506 TRP N . 53109 1 676 . 1 . 1 179 179 MET H H 1 7.852369919 0.003775298479 . . . . . . . 507 MET H . 53109 1 677 . 1 . 1 179 179 MET C C 13 175.7431266 0.0143764419 . . . . . . . 507 MET C . 53109 1 678 . 1 . 1 179 179 MET CA C 13 55.47521477 . . . . . . . . 507 MET CA . 53109 1 679 . 1 . 1 179 179 MET N N 15 121.7990283 0.01092640442 . . . . . . . 507 MET N . 53109 1 680 . 1 . 1 180 180 ASP H H 1 8.230061723 0.003089859828 . . . . . . . 508 ASP H . 53109 1 681 . 1 . 1 180 180 ASP C C 13 176.3781161 0.003147292277 . . . . . . . 508 ASP C . 53109 1 682 . 1 . 1 180 180 ASP CA C 13 54.83952501 . . . . . . . . 508 ASP CA . 53109 1 683 . 1 . 1 180 180 ASP CB C 13 41.01127611 . . . . . . . . 508 ASP CB . 53109 1 684 . 1 . 1 180 180 ASP N N 15 121.1531023 0.0000013 . . . . . . . 508 ASP N . 53109 1 685 . 1 . 1 181 181 SER H H 1 8.154903492 0.00143418556 . . . . . . . 509 SER H . 53109 1 686 . 1 . 1 181 181 SER C C 13 174.1880811 0.007600622522 . . . . . . . 509 SER C . 53109 1 687 . 1 . 1 181 181 SER CA C 13 58.53003626 . . . . . . . . 509 SER CA . 53109 1 688 . 1 . 1 181 181 SER N N 15 115.0368543 0.004350582375 . . . . . . . 509 SER N . 53109 1 689 . 1 . 1 182 182 TYR H H 1 8.258944312 0.002155149871 . . . . . . . 510 TYR H . 53109 1 690 . 1 . 1 182 182 TYR C C 13 175.7723483 0.005759818336 . . . . . . . 510 TYR C . 53109 1 691 . 1 . 1 182 182 TYR CA C 13 58.39485462 . . . . . . . . 510 TYR CA . 53109 1 692 . 1 . 1 182 182 TYR N N 15 122.4452026 0.05522805263 . . . . . . . 510 TYR N . 53109 1 693 . 1 . 1 183 183 SER H H 1 8.277968039 0.001280010167 . . . . . . . 511 SER H . 53109 1 694 . 1 . 1 183 183 SER C C 13 174.1582802 0.01022146032 . . . . . . . 511 SER C . 53109 1 695 . 1 . 1 183 183 SER CA C 13 58.1371072 . . . . . . . . 511 SER CA . 53109 1 696 . 1 . 1 183 183 SER N N 15 118.3828149 0.02593365597 . . . . . . . 511 SER N . 53109 1 697 . 1 . 1 184 184 GLY H H 1 7.435760129 0.004852650893 . . . . . . . 512 GLY H . 53109 1 698 . 1 . 1 184 184 GLY CA C 13 44.84038268 0.061915432 . . . . . . . 512 GLY CA . 53109 1 699 . 1 . 1 184 184 GLY N N 15 110.004139 0.0252576871 . . . . . . . 512 GLY N . 53109 1 700 . 1 . 1 185 185 PRO C C 13 177.0964228 0.003704434425 . . . . . . . 513 PRO C . 53109 1 701 . 1 . 1 185 185 PRO CA C 13 63.46623662 . . . . . . . . 513 PRO CA . 53109 1 702 . 1 . 1 186 186 TYR H H 1 8.372844369 0.001484411291 . . . . . . . 514 TYR H . 53109 1 703 . 1 . 1 186 186 TYR C C 13 176.4440372 0.0004090940467 . . . . . . . 514 TYR C . 53109 1 704 . 1 . 1 186 186 TYR CA C 13 57.78963877 0.0755459328 . . . . . . . 514 TYR CA . 53109 1 705 . 1 . 1 186 186 TYR N N 15 119.4631043 0.003029432293 . . . . . . . 514 TYR N . 53109 1 706 . 1 . 1 187 187 GLY H H 1 8.116215407 0.002358839806 . . . . . . . 515 GLY H . 53109 1 707 . 1 . 1 187 187 GLY C C 13 173.7505122 0.005333738377 . . . . . . . 515 GLY C . 53109 1 708 . 1 . 1 187 187 GLY CA C 13 45.43388595 0.02572391782 . . . . . . . 515 GLY CA . 53109 1 709 . 1 . 1 187 187 GLY N N 15 109.7788496 0.02514335197 . . . . . . . 515 GLY N . 53109 1 710 . 1 . 1 188 188 ASP H H 1 8.279211724 0.003425893286 . . . . . . . 516 ASP H . 53109 1 711 . 1 . 1 188 188 ASP C C 13 176.6143737 0.007570157395 . . . . . . . 516 ASP C . 53109 1 712 . 1 . 1 188 188 ASP CA C 13 54.30752958 0.01855975021 . . . . . . . 516 ASP CA . 53109 1 713 . 1 . 1 188 188 ASP CB C 13 40.98244702 . . . . . . . . 516 ASP CB . 53109 1 714 . 1 . 1 188 188 ASP N N 15 120.3366027 0.01068763213 . . . . . . . 516 ASP N . 53109 1 715 . 1 . 1 189 189 MET H H 1 8.444492087 0.0014637271 . . . . . . . 517 MET H . 53109 1 716 . 1 . 1 189 189 MET C C 13 176.4664148 0.001093040578 . . . . . . . 517 MET C . 53109 1 717 . 1 . 1 189 189 MET CA C 13 55.75510194 0.05050741755 . . . . . . . 517 MET CA . 53109 1 718 . 1 . 1 189 189 MET N N 15 121.4846715 0.06328860315 . . . . . . . 517 MET N . 53109 1 719 . 1 . 1 190 190 ARG H H 1 8.378076558 0.00276105984 . . . . . . . 518 ARG H . 53109 1 720 . 1 . 1 190 190 ARG C C 13 176.4827887 0.01154107012 . . . . . . . 518 ARG C . 53109 1 721 . 1 . 1 190 190 ARG CA C 13 56.52374009 0.04346229962 . . . . . . . 518 ARG CA . 53109 1 722 . 1 . 1 190 190 ARG CB C 13 30.41130522 . . . . . . . . 518 ARG CB . 53109 1 723 . 1 . 1 190 190 ARG N N 15 121.5344945 0.005407070813 . . . . . . . 518 ARG N . 53109 1 724 . 1 . 1 191 191 LEU H H 1 8.28809525 0.002819696894 . . . . . . . 519 LEU H . 53109 1 725 . 1 . 1 191 191 LEU C C 13 177.6682298 0.0003426279879 . . . . . . . 519 LEU C . 53109 1 726 . 1 . 1 191 191 LEU CA C 13 55.31086714 0 . . . . . . . 519 LEU CA . 53109 1 727 . 1 . 1 191 191 LEU CB C 13 42.42857317 . . . . . . . . 519 LEU CB . 53109 1 728 . 1 . 1 191 191 LEU N N 15 122.5621124 0.03086388718 . . . . . . . 519 LEU N . 53109 1 729 . 1 . 1 192 192 GLU H H 1 8.559214476 0.001160399966 . . . . . . . 520 GLU H . 53109 1 730 . 1 . 1 192 192 GLU C C 13 176.7893618 0.01104415981 . . . . . . . 520 GLU C . 53109 1 731 . 1 . 1 192 192 GLU CA C 13 56.95198048 0.004300071596 . . . . . . . 520 GLU CA . 53109 1 732 . 1 . 1 192 192 GLU CB C 13 29.98365985 0.02841893851 . . . . . . . 520 GLU CB . 53109 1 733 . 1 . 1 192 192 GLU N N 15 121.6319983 0.0000027 . . . . . . . 520 GLU N . 53109 1 734 . 1 . 1 193 193 THR H H 1 8.146245103 0.003441545909 . . . . . . . 521 THR H . 53109 1 735 . 1 . 1 193 193 THR C C 13 174.4985856 0.0003871588857 . . . . . . . 521 THR C . 53109 1 736 . 1 . 1 193 193 THR CA C 13 62.00980032 0.02666044077 . . . . . . . 521 THR CA . 53109 1 737 . 1 . 1 193 193 THR CB C 13 69.81262416 0.02810637279 . . . . . . . 521 THR CB . 53109 1 738 . 1 . 1 193 193 THR N N 15 114.5996817 0.03939929511 . . . . . . . 521 THR N . 53109 1 739 . 1 . 1 194 194 ALA H H 1 8.350666893 0.001206450087 . . . . . . . 522 ALA H . 53109 1 740 . 1 . 1 194 194 ALA C C 13 177.8455807 0.01099928185 . . . . . . . 522 ALA C . 53109 1 741 . 1 . 1 194 194 ALA CA C 13 52.77191555 0.0654156436 . . . . . . . 522 ALA CA . 53109 1 742 . 1 . 1 194 194 ALA CB C 13 19.00303617 0.02684411593 . . . . . . . 522 ALA CB . 53109 1 743 . 1 . 1 194 194 ALA N N 15 126.3352848 0.01459290289 . . . . . . . 522 ALA N . 53109 1 744 . 1 . 1 195 195 ARG H H 1 8.32106057 0.00227710605 . . . . . . . 523 ARG H . 53109 1 745 . 1 . 1 195 195 ARG C C 13 176.1011235 0.0195300086 . . . . . . . 523 ARG C . 53109 1 746 . 1 . 1 195 195 ARG CA C 13 56.17760886 0.02752155566 . . . . . . . 523 ARG CA . 53109 1 747 . 1 . 1 195 195 ARG CB C 13 30.83500687 0.006440602154 . . . . . . . 523 ARG CB . 53109 1 748 . 1 . 1 195 195 ARG N N 15 120.125472 0.0000013 . . . . . . . 523 ARG N . 53109 1 749 . 1 . 1 196 196 ASP H H 1 8.323118665 0.002616814334 . . . . . . . 524 ASP H . 53109 1 750 . 1 . 1 196 196 ASP C C 13 175.8156275 0.00521615356 . . . . . . . 524 ASP C . 53109 1 751 . 1 . 1 196 196 ASP CA C 13 54.38402325 0.0119931811 . . . . . . . 524 ASP CA . 53109 1 752 . 1 . 1 196 196 ASP CB C 13 41.0294455 0.04038333706 . . . . . . . 524 ASP CB . 53109 1 753 . 1 . 1 196 196 ASP N N 15 120.2782035 0.0509719214 . . . . . . . 524 ASP N . 53109 1 754 . 1 . 1 197 197 HIS H H 1 8.208312673 0.00269645742 . . . . . . . 525 HIS H . 53109 1 755 . 1 . 1 197 197 HIS C C 13 174.7924683 0.001603493827 . . . . . . . 525 HIS C . 53109 1 756 . 1 . 1 197 197 HIS CA C 13 55.97065195 0.06924110901 . . . . . . . 525 HIS CA . 53109 1 757 . 1 . 1 197 197 HIS CB C 13 30.40167041 0.03596984037 . . . . . . . 525 HIS CB . 53109 1 758 . 1 . 1 197 197 HIS N N 15 119.3649052 0.003865245181 . . . . . . . 525 HIS N . 53109 1 759 . 1 . 1 198 198 VAL H H 1 8.1374956 0.002544737716 . . . . . . . 526 VAL H . 53109 1 760 . 1 . 1 198 198 VAL C C 13 175.8135514 0.001722135141 . . . . . . . 526 VAL C . 53109 1 761 . 1 . 1 198 198 VAL CA C 13 62.24990313 0.04925930917 . . . . . . . 526 VAL CA . 53109 1 762 . 1 . 1 198 198 VAL CB C 13 32.49411273 0.006127059462 . . . . . . . 526 VAL CB . 53109 1 763 . 1 . 1 198 198 VAL N N 15 122.0112245 0.007402840351 . . . . . . . 526 VAL N . 53109 1 764 . 1 . 1 199 199 LEU H H 1 8.451017525 0.001385123078 . . . . . . . 527 LEU H . 53109 1 765 . 1 . 1 199 199 LEU CA C 13 52.80375699 0 . . . . . . . 527 LEU CA . 53109 1 766 . 1 . 1 199 199 LEU CB C 13 41.49630231 . . . . . . . . 527 LEU CB . 53109 1 767 . 1 . 1 199 199 LEU N N 15 127.7892157 0.0120203243 . . . . . . . 527 LEU N . 53109 1 768 . 1 . 1 200 200 PRO C C 13 177.1299899 0.0008064837512 . . . . . . . 528 PRO C . 53109 1 769 . 1 . 1 200 200 PRO CA C 13 63.03518467 . . . . . . . . 528 PRO CA . 53109 1 770 . 1 . 1 201 201 ILE H H 1 8.309309962 0.004541882752 . . . . . . . 529 ILE H . 53109 1 771 . 1 . 1 201 201 ILE C C 13 175.8449236 0.004632852851 . . . . . . . 529 ILE C . 53109 1 772 . 1 . 1 201 201 ILE CA C 13 61.88416688 . . . . . . . . 529 ILE CA . 53109 1 773 . 1 . 1 201 201 ILE N N 15 120.639306 0.01528312739 . . . . . . . 529 ILE N . 53109 1 774 . 1 . 1 202 202 ASP H H 1 8.313369237 0.0006493215103 . . . . . . . 530 ASP H . 53109 1 775 . 1 . 1 202 202 ASP C C 13 175.8039358 0.002887707563 . . . . . . . 530 ASP C . 53109 1 776 . 1 . 1 202 202 ASP CA C 13 54.06542025 . . . . . . . . 530 ASP CA . 53109 1 777 . 1 . 1 202 202 ASP CB C 13 40.92299727 0.01006875746 . . . . . . . 530 ASP CB . 53109 1 778 . 1 . 1 202 202 ASP N N 15 122.015573 0.01263273163 . . . . . . . 530 ASP N . 53109 1 779 . 1 . 1 203 203 TYR H H 1 7.959709407 0.001085878541 . . . . . . . 531 TYR H . 53109 1 780 . 1 . 1 203 203 TYR C C 13 173.3474954 0.001346005808 . . . . . . . 531 TYR C . 53109 1 781 . 1 . 1 203 203 TYR CA C 13 58.75065741 . . . . . . . . 531 TYR CA . 53109 1 782 . 1 . 1 203 203 TYR CB C 13 39.02752157 . . . . . . . . 531 TYR CB . 53109 1 783 . 1 . 1 203 203 TYR N N 15 120.580829 0.0000013 . . . . . . . 531 TYR N . 53109 1 784 . 1 . 1 204 204 TYR H H 1 7.984504458 0.001721619144 . . . . . . . 532 TYR H . 53109 1 785 . 1 . 1 204 204 TYR C C 13 174.3272827 0.002581779388 . . . . . . . 532 TYR C . 53109 1 786 . 1 . 1 204 204 TYR CB C 13 38.94759277 . . . . . . . . 532 TYR CB . 53109 1 787 . 1 . 1 204 204 TYR N N 15 120.9602948 0.0000013 . . . . . . . 532 TYR N . 53109 1 788 . 1 . 1 205 205 PHE H H 1 7.954499414 0.0009277013664 . . . . . . . 533 PHE H . 53109 1 789 . 1 . 1 205 205 PHE CA C 13 54.98486426 0.02259818836 . . . . . . . 533 PHE CA . 53109 1 790 . 1 . 1 205 205 PHE CB C 13 39.47234733 . . . . . . . . 533 PHE CB . 53109 1 791 . 1 . 1 205 205 PHE N N 15 123.8193508 0.006540228236 . . . . . . . 533 PHE N . 53109 1 792 . 1 . 1 207 207 PRO C C 13 176.9571268 0.002041874394 . . . . . . . 535 PRO C . 53109 1 793 . 1 . 1 207 207 PRO CA C 13 62.84729135 0.0206941201 . . . . . . . 535 PRO CA . 53109 1 794 . 1 . 1 207 207 PRO CB C 13 32.01566889 . . . . . . . . 535 PRO CB . 53109 1 795 . 1 . 1 208 208 GLN H H 1 8.628994304 0.001345313958 . . . . . . . 536 GLN H . 53109 1 796 . 1 . 1 208 208 GLN C C 13 175.9270417 0.009393351011 . . . . . . . 536 GLN C . 53109 1 797 . 1 . 1 208 208 GLN CA C 13 55.53597715 0.008371228616 . . . . . . . 536 GLN CA . 53109 1 798 . 1 . 1 208 208 GLN CB C 13 29.6478598 0.01767554541 . . . . . . . 536 GLN CB . 53109 1 799 . 1 . 1 208 208 GLN N N 15 121.1965567 0.009624326412 . . . . . . . 536 GLN N . 53109 1 800 . 1 . 1 209 209 LYS H H 1 8.592573065 0.0007637893332 . . . . . . . 537 LYS H . 53109 1 801 . 1 . 1 209 209 LYS C C 13 175.9715486 0.00118976977 . . . . . . . 537 LYS C . 53109 1 802 . 1 . 1 209 209 LYS CA C 13 56.44199241 0.05319931938 . . . . . . . 537 LYS CA . 53109 1 803 . 1 . 1 209 209 LYS CB C 13 33.05993726 0.008813856794 . . . . . . . 537 LYS CB . 53109 1 804 . 1 . 1 209 209 LYS N N 15 124.2683142 0.01207956205 . . . . . . . 537 LYS N . 53109 1 805 . 1 . 1 210 210 THR H H 1 7.999775877 0.001026193697 . . . . . . . 538 THR H . 53109 1 806 . 1 . 1 210 210 THR C C 13 179.2780192 . . . . . . . . 538 THR C . 53109 1 807 . 1 . 1 210 210 THR CA C 13 63.33022832 0.0331888746 . . . . . . . 538 THR CA . 53109 1 808 . 1 . 1 210 210 THR CB C 13 70.69727603 . . . . . . . . 538 THR CB . 53109 1 809 . 1 . 1 210 210 THR N N 15 121.6610862 0.01158430057 . . . . . . . 538 THR N . 53109 1 stop_ save_