data_51741 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51741 _Entry.Title ; EWS RRM-RG2-ZnF ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-12-15 _Entry.Accession_date 2022-12-15 _Entry.Last_release_date 2022-12-19 _Entry.Original_release_date 2022-12-19 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Emily Selig . E. . 0000-0002-3012-6814 51741 2 Xiaoping Xu . . . . 51741 3 David Libich . S. . 0000-0001-6492-2803 51741 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51741 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 382 51741 '15N chemical shifts' 132 51741 '1H chemical shifts' 132 51741 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 . . 2023-05-24 . original BMRB . 51741 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51741 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36929870 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Biochemical and biophysical characterization of the nucleic acid binding properties of the RNA/DNA binding protein EWS ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biopolymers _Citation.Journal_name_full . _Citation.Journal_volume 114 _Citation.Journal_issue 5 _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 e23536 _Citation.Page_last e23536 _Citation.Year 2023 _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 Emily Selig . E. . . 51741 1 2 Roohi Bhura . . . . 51741 1 3 Matthew White . R. . . 51741 1 4 Shivani Akula . . . . 51741 1 5 Renee Hoffman . D. . . 51741 1 6 Carmel Tovar . N. . . 51741 1 7 Xiaoping Xu . . . . 51741 1 8 Rachell Booth . E. . . 51741 1 9 David Libich . S. . . 51741 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51741 _Assembly.ID 1 _Assembly.Name 'EWS RRM-RG2-ZnF monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _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 RRM-RG2-ZnF 1 $entity_1 . . yes native no no . . . 51741 1 2 'zinc ion' 2 $entity_ZN . . no native no no . . . 51741 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51741 _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 ; GADNSAIYVQGLNDSVTLDD LADFFKQCGVVKMNKRTGQP MIHIYLDKETGKPKGDATVS YEDPPTAKAAVEWFDGKDFQ GSKLKVSLARKKPPMNSMRG GLPPREGRGMPPPLRGGPGG PGGPGGPMGRMGGRGGDRGG FPPRGPRGSRGNPSGGGNVQ HRAGDWQCPNPGCGNQNFAW RTECNQCKAPKPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites yes _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 193 _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 1 357 GLY . 51741 1 2 358 ALA . 51741 1 3 359 ASP . 51741 1 4 360 ASN . 51741 1 5 361 SER . 51741 1 6 362 ALA . 51741 1 7 363 ILE . 51741 1 8 364 TYR . 51741 1 9 365 VAL . 51741 1 10 366 GLN . 51741 1 11 367 GLY . 51741 1 12 368 LEU . 51741 1 13 369 ASN . 51741 1 14 370 ASP . 51741 1 15 371 SER . 51741 1 16 372 VAL . 51741 1 17 373 THR . 51741 1 18 374 LEU . 51741 1 19 375 ASP . 51741 1 20 376 ASP . 51741 1 21 377 LEU . 51741 1 22 378 ALA . 51741 1 23 379 ASP . 51741 1 24 380 PHE . 51741 1 25 381 PHE . 51741 1 26 382 LYS . 51741 1 27 383 GLN . 51741 1 28 384 CYS . 51741 1 29 385 GLY . 51741 1 30 386 VAL . 51741 1 31 387 VAL . 51741 1 32 388 LYS . 51741 1 33 389 MET . 51741 1 34 390 ASN . 51741 1 35 391 LYS . 51741 1 36 392 ARG . 51741 1 37 393 THR . 51741 1 38 394 GLY . 51741 1 39 395 GLN . 51741 1 40 396 PRO . 51741 1 41 397 MET . 51741 1 42 398 ILE . 51741 1 43 399 HIS . 51741 1 44 400 ILE . 51741 1 45 401 TYR . 51741 1 46 402 LEU . 51741 1 47 403 ASP . 51741 1 48 404 LYS . 51741 1 49 405 GLU . 51741 1 50 406 THR . 51741 1 51 407 GLY . 51741 1 52 408 LYS . 51741 1 53 409 PRO . 51741 1 54 410 LYS . 51741 1 55 411 GLY . 51741 1 56 412 ASP . 51741 1 57 413 ALA . 51741 1 58 414 THR . 51741 1 59 415 VAL . 51741 1 60 416 SER . 51741 1 61 417 TYR . 51741 1 62 418 GLU . 51741 1 63 419 ASP . 51741 1 64 420 PRO . 51741 1 65 421 PRO . 51741 1 66 422 THR . 51741 1 67 423 ALA . 51741 1 68 424 LYS . 51741 1 69 425 ALA . 51741 1 70 426 ALA . 51741 1 71 427 VAL . 51741 1 72 428 GLU . 51741 1 73 429 TRP . 51741 1 74 430 PHE . 51741 1 75 431 ASP . 51741 1 76 432 GLY . 51741 1 77 433 LYS . 51741 1 78 434 ASP . 51741 1 79 435 PHE . 51741 1 80 436 GLN . 51741 1 81 437 GLY . 51741 1 82 438 SER . 51741 1 83 439 LYS . 51741 1 84 440 LEU . 51741 1 85 441 LYS . 51741 1 86 442 VAL . 51741 1 87 443 SER . 51741 1 88 444 LEU . 51741 1 89 445 ALA . 51741 1 90 446 ARG . 51741 1 91 447 LYS . 51741 1 92 448 LYS . 51741 1 93 449 PRO . 51741 1 94 450 PRO . 51741 1 95 451 MET . 51741 1 96 452 ASN . 51741 1 97 453 SER . 51741 1 98 454 MET . 51741 1 99 455 ARG . 51741 1 100 456 GLY . 51741 1 101 457 GLY . 51741 1 102 458 LEU . 51741 1 103 459 PRO . 51741 1 104 460 PRO . 51741 1 105 461 ARG . 51741 1 106 462 GLU . 51741 1 107 463 GLY . 51741 1 108 464 ARG . 51741 1 109 465 GLY . 51741 1 110 466 MET . 51741 1 111 467 PRO . 51741 1 112 468 PRO . 51741 1 113 469 PRO . 51741 1 114 470 LEU . 51741 1 115 471 ARG . 51741 1 116 472 GLY . 51741 1 117 473 GLY . 51741 1 118 474 PRO . 51741 1 119 475 GLY . 51741 1 120 476 GLY . 51741 1 121 477 PRO . 51741 1 122 478 GLY . 51741 1 123 479 GLY . 51741 1 124 480 PRO . 51741 1 125 481 GLY . 51741 1 126 482 GLY . 51741 1 127 483 PRO . 51741 1 128 484 MET . 51741 1 129 485 GLY . 51741 1 130 486 ARG . 51741 1 131 487 MET . 51741 1 132 488 GLY . 51741 1 133 489 GLY . 51741 1 134 490 ARG . 51741 1 135 491 GLY . 51741 1 136 492 GLY . 51741 1 137 493 ASP . 51741 1 138 494 ARG . 51741 1 139 495 GLY . 51741 1 140 496 GLY . 51741 1 141 497 PHE . 51741 1 142 498 PRO . 51741 1 143 499 PRO . 51741 1 144 500 ARG . 51741 1 145 501 GLY . 51741 1 146 502 PRO . 51741 1 147 503 ARG . 51741 1 148 504 GLY . 51741 1 149 505 SER . 51741 1 150 506 ARG . 51741 1 151 507 GLY . 51741 1 152 508 ASN . 51741 1 153 509 PRO . 51741 1 154 510 SER . 51741 1 155 511 GLY . 51741 1 156 512 GLY . 51741 1 157 513 GLY . 51741 1 158 514 ASN . 51741 1 159 515 VAL . 51741 1 160 516 GLN . 51741 1 161 517 HIS . 51741 1 162 518 ARG . 51741 1 163 519 ALA . 51741 1 164 520 GLY . 51741 1 165 521 ASP . 51741 1 166 522 TRP . 51741 1 167 523 GLN . 51741 1 168 524 CYS . 51741 1 169 525 PRO . 51741 1 170 526 ASN . 51741 1 171 527 PRO . 51741 1 172 528 GLY . 51741 1 173 529 CYS . 51741 1 174 530 GLY . 51741 1 175 531 ASN . 51741 1 176 532 GLN . 51741 1 177 533 ASN . 51741 1 178 534 PHE . 51741 1 179 535 ALA . 51741 1 180 536 TRP . 51741 1 181 537 ARG . 51741 1 182 538 THR . 51741 1 183 539 GLU . 51741 1 184 540 CYS . 51741 1 185 541 ASN . 51741 1 186 542 GLN . 51741 1 187 543 CYS . 51741 1 188 544 LYS . 51741 1 189 545 ALA . 51741 1 190 546 PRO . 51741 1 191 547 LYS . 51741 1 192 548 PRO . 51741 1 193 549 GLU . 51741 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 51741 1 . ALA 2 2 51741 1 . ASP 3 3 51741 1 . ASN 4 4 51741 1 . SER 5 5 51741 1 . ALA 6 6 51741 1 . ILE 7 7 51741 1 . TYR 8 8 51741 1 . VAL 9 9 51741 1 . GLN 10 10 51741 1 . GLY 11 11 51741 1 . LEU 12 12 51741 1 . ASN 13 13 51741 1 . ASP 14 14 51741 1 . SER 15 15 51741 1 . VAL 16 16 51741 1 . THR 17 17 51741 1 . LEU 18 18 51741 1 . ASP 19 19 51741 1 . ASP 20 20 51741 1 . LEU 21 21 51741 1 . ALA 22 22 51741 1 . ASP 23 23 51741 1 . PHE 24 24 51741 1 . PHE 25 25 51741 1 . LYS 26 26 51741 1 . GLN 27 27 51741 1 . CYS 28 28 51741 1 . GLY 29 29 51741 1 . VAL 30 30 51741 1 . VAL 31 31 51741 1 . LYS 32 32 51741 1 . MET 33 33 51741 1 . ASN 34 34 51741 1 . LYS 35 35 51741 1 . ARG 36 36 51741 1 . THR 37 37 51741 1 . GLY 38 38 51741 1 . GLN 39 39 51741 1 . PRO 40 40 51741 1 . MET 41 41 51741 1 . ILE 42 42 51741 1 . HIS 43 43 51741 1 . ILE 44 44 51741 1 . TYR 45 45 51741 1 . LEU 46 46 51741 1 . ASP 47 47 51741 1 . LYS 48 48 51741 1 . GLU 49 49 51741 1 . THR 50 50 51741 1 . GLY 51 51 51741 1 . LYS 52 52 51741 1 . PRO 53 53 51741 1 . LYS 54 54 51741 1 . GLY 55 55 51741 1 . ASP 56 56 51741 1 . ALA 57 57 51741 1 . THR 58 58 51741 1 . VAL 59 59 51741 1 . SER 60 60 51741 1 . TYR 61 61 51741 1 . GLU 62 62 51741 1 . ASP 63 63 51741 1 . PRO 64 64 51741 1 . PRO 65 65 51741 1 . THR 66 66 51741 1 . ALA 67 67 51741 1 . LYS 68 68 51741 1 . ALA 69 69 51741 1 . ALA 70 70 51741 1 . VAL 71 71 51741 1 . GLU 72 72 51741 1 . TRP 73 73 51741 1 . PHE 74 74 51741 1 . ASP 75 75 51741 1 . GLY 76 76 51741 1 . LYS 77 77 51741 1 . ASP 78 78 51741 1 . PHE 79 79 51741 1 . GLN 80 80 51741 1 . GLY 81 81 51741 1 . SER 82 82 51741 1 . LYS 83 83 51741 1 . LEU 84 84 51741 1 . LYS 85 85 51741 1 . VAL 86 86 51741 1 . SER 87 87 51741 1 . LEU 88 88 51741 1 . ALA 89 89 51741 1 . ARG 90 90 51741 1 . LYS 91 91 51741 1 . LYS 92 92 51741 1 . PRO 93 93 51741 1 . PRO 94 94 51741 1 . MET 95 95 51741 1 . ASN 96 96 51741 1 . SER 97 97 51741 1 . MET 98 98 51741 1 . ARG 99 99 51741 1 . GLY 100 100 51741 1 . GLY 101 101 51741 1 . LEU 102 102 51741 1 . PRO 103 103 51741 1 . PRO 104 104 51741 1 . ARG 105 105 51741 1 . GLU 106 106 51741 1 . GLY 107 107 51741 1 . ARG 108 108 51741 1 . GLY 109 109 51741 1 . MET 110 110 51741 1 . PRO 111 111 51741 1 . PRO 112 112 51741 1 . PRO 113 113 51741 1 . LEU 114 114 51741 1 . ARG 115 115 51741 1 . GLY 116 116 51741 1 . GLY 117 117 51741 1 . PRO 118 118 51741 1 . GLY 119 119 51741 1 . GLY 120 120 51741 1 . PRO 121 121 51741 1 . GLY 122 122 51741 1 . GLY 123 123 51741 1 . PRO 124 124 51741 1 . GLY 125 125 51741 1 . GLY 126 126 51741 1 . PRO 127 127 51741 1 . MET 128 128 51741 1 . GLY 129 129 51741 1 . ARG 130 130 51741 1 . MET 131 131 51741 1 . GLY 132 132 51741 1 . GLY 133 133 51741 1 . ARG 134 134 51741 1 . GLY 135 135 51741 1 . GLY 136 136 51741 1 . ASP 137 137 51741 1 . ARG 138 138 51741 1 . GLY 139 139 51741 1 . GLY 140 140 51741 1 . PHE 141 141 51741 1 . PRO 142 142 51741 1 . PRO 143 143 51741 1 . ARG 144 144 51741 1 . GLY 145 145 51741 1 . PRO 146 146 51741 1 . ARG 147 147 51741 1 . GLY 148 148 51741 1 . SER 149 149 51741 1 . ARG 150 150 51741 1 . GLY 151 151 51741 1 . ASN 152 152 51741 1 . PRO 153 153 51741 1 . SER 154 154 51741 1 . GLY 155 155 51741 1 . GLY 156 156 51741 1 . GLY 157 157 51741 1 . ASN 158 158 51741 1 . VAL 159 159 51741 1 . GLN 160 160 51741 1 . HIS 161 161 51741 1 . ARG 162 162 51741 1 . ALA 163 163 51741 1 . GLY 164 164 51741 1 . ASP 165 165 51741 1 . TRP 166 166 51741 1 . GLN 167 167 51741 1 . CYS 168 168 51741 1 . PRO 169 169 51741 1 . ASN 170 170 51741 1 . PRO 171 171 51741 1 . GLY 172 172 51741 1 . CYS 173 173 51741 1 . GLY 174 174 51741 1 . ASN 175 175 51741 1 . GLN 176 176 51741 1 . ASN 177 177 51741 1 . PHE 178 178 51741 1 . ALA 179 179 51741 1 . TRP 180 180 51741 1 . ARG 181 181 51741 1 . THR 182 182 51741 1 . GLU 183 183 51741 1 . CYS 184 184 51741 1 . ASN 185 185 51741 1 . GLN 186 186 51741 1 . CYS 187 187 51741 1 . LYS 188 188 51741 1 . ALA 189 189 51741 1 . PRO 190 190 51741 1 . LYS 191 191 51741 1 . PRO 192 192 51741 1 . GLU 193 193 51741 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 51741 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name entity_ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 65.409 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ZINC ION' BMRB 51741 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'ZINC ION' BMRB 51741 2 ZN 'Three letter code' 51741 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ZN $chem_comp_ZN 51741 2 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 51741 _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 . . . . . . . . . . . . . 51741 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 51741 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . plasmid . . pET . . . 51741 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 51741 _Chem_comp.ID ZN _Chem_comp.Provenance PDB _Chem_comp.Name 'ZINC ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code ZN _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Zn/q+2 _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/Zn/q+2 InChI InChI 1.03 51741 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 51741 ZN [Zn++] SMILES CACTVS 3.341 51741 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 51741 ZN [Zn+2] SMILES ACDLabs 10.04 51741 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 51741 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 51741 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 51741 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 51741 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN ZN ZN ZN . ZN . . N 2 . . . 0 N N . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 51741 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51741 _Sample.ID 1 _Sample.Name 'EWS RRM-RG2-ZnF' _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 'EWS RRM-RG2-ZnF monomer' '[U-99% 15N]' . . 1 $entity_1 . . 400 . . uM . . . . 51741 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 51741 1 3 'potassium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 51741 1 4 'zinc chloride' 'natural abundance' . . . . . . 0.5 . . mM . . . . 51741 1 5 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 51741 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 51741 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'sample conditions 1' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 51741 1 pH 6 . pH 51741 1 pressure 1 . atm 51741 1 temperature 298 . K 51741 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51741 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version 3.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51741 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 51741 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51741 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 51741 _Software.ID 3 _Software.Type . _Software.Name SMILE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51741 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 51741 _Software.ID 4 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 51741 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 51741 _Software.ID 5 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.1 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 51741 5 processing . 51741 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51741 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance NEO' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 51741 _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 . . . . . . . . . . . . . . . . . 51741 1 2 '3D CBCACONH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51741 1 3 '3D CBCANH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51741 1 4 '3D HNCO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51741 1 5 '3D HN(CA)CO' no yes . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51741 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 51741 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name Water _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 water protons . . . . ppm 4.706 internal indirect 0.251449530 . . . . . 51741 1 H 1 water protons . . . . ppm 4.706 internal indirect 1 . . . . . 51741 1 N 15 water protons . . . . ppm 4.706 internal indirect 0.101329118 . . . . . 51741 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 51741 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'EWS RRM-RG2-ZnF' _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D CBCACONH' . . . 51741 1 3 '3D CBCANH' . . . 51741 1 4 '3D HNCO' . . . 51741 1 5 '3D HN(CA)CO' . . . 51741 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 51741 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 ASP H H 1 8.357888764 0.0010257218 . 1 . . . . . 359 ASP H . 51741 1 2 . 1 . 1 3 3 ASP C C 13 173.4316782 0.0020402658 . 1 . . . . . 359 ASP C . 51741 1 3 . 1 . 1 3 3 ASP CA C 13 51.42849858 0 . 1 . . . . . 359 ASP CA . 51741 1 4 . 1 . 1 3 3 ASP CB C 13 38.405645 0 . 1 . . . . . 359 ASP CB . 51741 1 5 . 1 . 1 3 3 ASP N N 15 119.6359687 0.0000013487 . 1 . . . . . 359 ASP N . 51741 1 6 . 1 . 1 4 4 ASN H H 1 8.327423131 0.0006412254 . 1 . . . . . 360 ASN H . 51741 1 7 . 1 . 1 4 4 ASN C C 13 172.0571192 0.0166438152 . 1 . . . . . 360 ASN C . 51741 1 8 . 1 . 1 4 4 ASN CA C 13 51.15005712 . . 1 . . . . . 360 ASN CA . 51741 1 9 . 1 . 1 4 4 ASN CB C 13 36.03758355 . . 1 . . . . . 360 ASN CB . 51741 1 10 . 1 . 1 4 4 ASN N N 15 119.098907 0.0564833376 . 1 . . . . . 360 ASN N . 51741 1 11 . 1 . 1 5 5 SER H H 1 8.191097053 0.001242589 . 1 . . . . . 361 SER H . 51741 1 12 . 1 . 1 5 5 SER C C 13 169.2448781 0.0041177064 . 1 . . . . . 361 SER C . 51741 1 13 . 1 . 1 5 5 SER CA C 13 54.91328917 . . 1 . . . . . 361 SER CA . 51741 1 14 . 1 . 1 5 5 SER CB C 13 61.01872727 . . 1 . . . . . 361 SER CB . 51741 1 15 . 1 . 1 5 5 SER N N 15 114.3230127 0.0258310935 . 1 . . . . . 361 SER N . 51741 1 16 . 1 . 1 6 6 ALA H H 1 7.60749257 0.0011053684 . 1 . . . . . 362 ALA H . 51741 1 17 . 1 . 1 6 6 ALA C C 13 174.3007036 0.0228140636 . 1 . . . . . 362 ALA C . 51741 1 18 . 1 . 1 6 6 ALA CA C 13 47.25441584 . . 1 . . . . . 362 ALA CA . 51741 1 19 . 1 . 1 6 6 ALA CB C 13 19.29492609 . . 1 . . . . . 362 ALA CB . 51741 1 20 . 1 . 1 6 6 ALA N N 15 122.7406854 0.0041580036 . 1 . . . . . 362 ALA N . 51741 1 21 . 1 . 1 7 7 ILE H H 1 8.944650181 0.0032544692 . 1 . . . . . 363 ILE H . 51741 1 22 . 1 . 1 7 7 ILE C C 13 170.6986856 0.022653032 . 1 . . . . . 363 ILE C . 51741 1 23 . 1 . 1 7 7 ILE CA C 13 56.83054717 . . 1 . . . . . 363 ILE CA . 51741 1 24 . 1 . 1 7 7 ILE CB C 13 37.52034572 . . 1 . . . . . 363 ILE CB . 51741 1 25 . 1 . 1 7 7 ILE N N 15 112.5565448 0.0129053162 . 1 . . . . . 363 ILE N . 51741 1 26 . 1 . 1 8 8 TYR H H 1 9.548116519 0.0018137364 . 1 . . . . . 364 TYR H . 51741 1 27 . 1 . 1 8 8 TYR C C 13 170.939406 0.0396571225 . 1 . . . . . 364 TYR C . 51741 1 28 . 1 . 1 8 8 TYR CA C 13 53.29459511 . . 1 . . . . . 364 TYR CA . 51741 1 29 . 1 . 1 8 8 TYR CB C 13 38.15839964 . . 1 . . . . . 364 TYR CB . 51741 1 30 . 1 . 1 8 8 TYR N N 15 124.3780001 0.007182375 . 1 . . . . . 364 TYR N . 51741 1 31 . 1 . 1 9 9 VAL H H 1 8.8441877 0.001925287 . 1 . . . . . 365 VAL H . 51741 1 32 . 1 . 1 9 9 VAL C C 13 170.8296517 0.003242822 . 1 . . . . . 365 VAL C . 51741 1 33 . 1 . 1 9 9 VAL CA C 13 57.9270492 0 . 1 . . . . . 365 VAL CA . 51741 1 34 . 1 . 1 9 9 VAL CB C 13 32.47396905 0 . 1 . . . . . 365 VAL CB . 51741 1 35 . 1 . 1 9 9 VAL N N 15 128.4664442 0.0000019073 . 1 . . . . . 365 VAL N . 51741 1 36 . 1 . 1 10 10 GLN H H 1 8.918630156 0.0012072515 . 1 . . . . . 366 GLN H . 51741 1 37 . 1 . 1 10 10 GLN C C 13 172.066168 0.0099754133 . 1 . . . . . 366 GLN C . 51741 1 38 . 1 . 1 10 10 GLN CA C 13 51.61126424 . . 1 . . . . . 366 GLN CA . 51741 1 39 . 1 . 1 10 10 GLN CB C 13 31.19958144 . . 1 . . . . . 366 GLN CB . 51741 1 40 . 1 . 1 10 10 GLN N N 15 122.0823566 0.0430812457 . 1 . . . . . 366 GLN N . 51741 1 41 . 1 . 1 11 11 GLY H H 1 8.032364739 0.0019878679 . 1 . . . . . 367 GLY H . 51741 1 42 . 1 . 1 11 11 GLY C C 13 172.501668 0.0015925973 . 1 . . . . . 367 GLY C . 51741 1 43 . 1 . 1 11 11 GLY CA C 13 42.53566314 0 . 1 . . . . . 367 GLY CA . 51741 1 44 . 1 . 1 11 11 GLY N N 15 108.3581023 0.0392122532 . 1 . . . . . 367 GLY N . 51741 1 45 . 1 . 1 12 12 LEU H H 1 8.642754294 0.0008499371 . 1 . . . . . 368 LEU H . 51741 1 46 . 1 . 1 12 12 LEU C C 13 174.1132023 0.0057884647 . 1 . . . . . 368 LEU C . 51741 1 47 . 1 . 1 12 12 LEU CA C 13 51.31181847 . . 1 . . . . . 368 LEU CA . 51741 1 48 . 1 . 1 12 12 LEU CB C 13 38.95607137 . . 1 . . . . . 368 LEU CB . 51741 1 49 . 1 . 1 12 12 LEU N N 15 120.4511138 0.0070155769 . 1 . . . . . 368 LEU N . 51741 1 50 . 1 . 1 13 13 ASN H H 1 8.717242185 0.0021663226 . 1 . . . . . 369 ASN H . 51741 1 51 . 1 . 1 13 13 ASN C C 13 172.3316473 0.0052701158 . 1 . . . . . 369 ASN C . 51741 1 52 . 1 . 1 13 13 ASN CA C 13 49.4409782 . . 1 . . . . . 369 ASN CA . 51741 1 53 . 1 . 1 13 13 ASN CB C 13 37.11343172 . . 1 . . . . . 369 ASN CB . 51741 1 54 . 1 . 1 13 13 ASN N N 15 120.0483467 0.0115299008 . 1 . . . . . 369 ASN N . 51741 1 55 . 1 . 1 14 14 ASP H H 1 8.181501812 0.0014012209 . 1 . . . . . 370 ASP H . 51741 1 56 . 1 . 1 14 14 ASP C C 13 174.0123176 0.0071622214 . 1 . . . . . 370 ASP C . 51741 1 57 . 1 . 1 14 14 ASP CA C 13 52.55291964 . . 1 . . . . . 370 ASP CA . 51741 1 58 . 1 . 1 14 14 ASP CB C 13 37.68067379 . . 1 . . . . . 370 ASP CB . 51741 1 59 . 1 . 1 14 14 ASP N N 15 115.1208026 0.0142639555 . 1 . . . . . 370 ASP N . 51741 1 60 . 1 . 1 15 15 SER H H 1 8.042987186 0.001354954 . 1 . . . . . 371 SER H . 51741 1 61 . 1 . 1 15 15 SER C C 13 171.9482903 0.0211446612 . 1 . . . . . 371 SER C . 51741 1 62 . 1 . 1 15 15 SER CA C 13 54.74957915 . . 1 . . . . . 371 SER CA . 51741 1 63 . 1 . 1 15 15 SER CB C 13 61.436729 . . 1 . . . . . 371 SER CB . 51741 1 64 . 1 . 1 15 15 SER N N 15 111.9089493 0.0157291993 . 1 . . . . . 371 SER N . 51741 1 65 . 1 . 1 16 16 VAL H H 1 7.16109533 0.0010366015 . 1 . . . . . 372 VAL H . 51741 1 66 . 1 . 1 16 16 VAL C C 13 170.8717809 0.0043815696 . 1 . . . . . 372 VAL C . 51741 1 67 . 1 . 1 16 16 VAL CA C 13 59.94830951 . . 1 . . . . . 372 VAL CA . 51741 1 68 . 1 . 1 16 16 VAL CB C 13 29.42497993 . . 1 . . . . . 372 VAL CB . 51741 1 69 . 1 . 1 16 16 VAL N N 15 123.0513812 0.0176143193 . 1 . . . . . 372 VAL N . 51741 1 70 . 1 . 1 17 17 THR H H 1 7.939276354 0.0012060958 . 1 . . . . . 373 THR H . 51741 1 71 . 1 . 1 17 17 THR C C 13 172.4719273 0.0001340583 . 1 . . . . . 373 THR C . 51741 1 72 . 1 . 1 17 17 THR CA C 13 56.23851534 . . 1 . . . . . 373 THR CA . 51741 1 73 . 1 . 1 17 17 THR CB C 13 70.23731807 . . 1 . . . . . 373 THR CB . 51741 1 74 . 1 . 1 17 17 THR N N 15 113.771095 0.0111913935 . 1 . . . . . 373 THR N . 51741 1 75 . 1 . 1 18 18 LEU H H 1 8.733668421 0.0013019136 . 1 . . . . . 374 LEU H . 51741 1 76 . 1 . 1 18 18 LEU C C 13 175.8844453 0.0138090711 . 1 . . . . . 374 LEU C . 51741 1 77 . 1 . 1 18 18 LEU CA C 13 56.33625989 . . 1 . . . . . 374 LEU CA . 51741 1 78 . 1 . 1 18 18 LEU CB C 13 39.18664048 . . 1 . . . . . 374 LEU CB . 51741 1 79 . 1 . 1 18 18 LEU N N 15 122.4470523 0.0086861041 . 1 . . . . . 374 LEU N . 51741 1 80 . 1 . 1 19 19 ASP H H 1 8.170412346 0.0020138995 . 1 . . . . . 375 ASP H . 51741 1 81 . 1 . 1 19 19 ASP C C 13 175.7575166 0.0004205044 . 1 . . . . . 375 ASP C . 51741 1 82 . 1 . 1 19 19 ASP CA C 13 54.82137095 . . 1 . . . . . 375 ASP CA . 51741 1 83 . 1 . 1 19 19 ASP CB C 13 37.72162177 . . 1 . . . . . 375 ASP CB . 51741 1 84 . 1 . 1 19 19 ASP N N 15 116.899544 0.0790907207 . 1 . . . . . 375 ASP N . 51741 1 85 . 1 . 1 20 20 ASP H H 1 7.657924212 0.0011462364 . 1 . . . . . 376 ASP H . 51741 1 86 . 1 . 1 20 20 ASP C C 13 177.2556827 0.0191211234 . 1 . . . . . 376 ASP C . 51741 1 87 . 1 . 1 20 20 ASP CA C 13 54.54318537 . . 1 . . . . . 376 ASP CA . 51741 1 88 . 1 . 1 20 20 ASP CB C 13 38.26483644 . . 1 . . . . . 376 ASP CB . 51741 1 89 . 1 . 1 20 20 ASP N N 15 118.5555669 0.0066281249 . 1 . . . . . 376 ASP N . 51741 1 90 . 1 . 1 21 21 LEU H H 1 7.815546446 0.00125976 . 1 . . . . . 377 LEU H . 51741 1 91 . 1 . 1 21 21 LEU C C 13 175.6345939 0.0014864574 . 1 . . . . . 377 LEU C . 51741 1 92 . 1 . 1 21 21 LEU CA C 13 54.98134803 0 . 1 . . . . . 377 LEU CA . 51741 1 93 . 1 . 1 21 21 LEU CB C 13 39.77289154 0 . 1 . . . . . 377 LEU CB . 51741 1 94 . 1 . 1 21 21 LEU N N 15 119.1785154 0.0000013487 . 1 . . . . . 377 LEU N . 51741 1 95 . 1 . 1 22 22 ALA H H 1 8.947360742 0.0017534942 . 1 . . . . . 378 ALA H . 51741 1 96 . 1 . 1 22 22 ALA C C 13 176.6194949 0.0008444882 . 1 . . . . . 378 ALA C . 51741 1 97 . 1 . 1 22 22 ALA CA C 13 53.24204792 . . 1 . . . . . 378 ALA CA . 51741 1 98 . 1 . 1 22 22 ALA CB C 13 15.22977012 . . 1 . . . . . 378 ALA CB . 51741 1 99 . 1 . 1 22 22 ALA N N 15 123.0951058 0.0403927577 . 1 . . . . . 378 ALA N . 51741 1 100 . 1 . 1 23 23 ASP H H 1 7.700310481 0.0013597102 . 1 . . . . . 379 ASP H . 51741 1 101 . 1 . 1 23 23 ASP C C 13 174.5404616 0.0015014311 . 1 . . . . . 379 ASP C . 51741 1 102 . 1 . 1 23 23 ASP CA C 13 54.36403165 . . 1 . . . . . 379 ASP CA . 51741 1 103 . 1 . 1 23 23 ASP CB C 13 38.6003031 . . 1 . . . . . 379 ASP CB . 51741 1 104 . 1 . 1 23 23 ASP N N 15 114.9334167 0.0066942 . 1 . . . . . 379 ASP N . 51741 1 105 . 1 . 1 24 24 PHE H H 1 7.471922502 0.0020354853 . 1 . . . . . 380 PHE H . 51741 1 106 . 1 . 1 24 24 PHE C C 13 175.280004 0.0194848539 . 1 . . . . . 380 PHE C . 51741 1 107 . 1 . 1 24 24 PHE CA C 13 58.00829241 . . 1 . . . . . 380 PHE CA . 51741 1 108 . 1 . 1 24 24 PHE CB C 13 38.31222261 . . 1 . . . . . 380 PHE CB . 51741 1 109 . 1 . 1 24 24 PHE N N 15 118.9896089 0.0040416319 . 1 . . . . . 380 PHE N . 51741 1 110 . 1 . 1 25 25 PHE H H 1 8.527726713 0.0022833084 . 1 . . . . . 381 PHE H . 51741 1 111 . 1 . 1 25 25 PHE C C 13 174.8571506 0.0016720541 . 1 . . . . . 381 PHE C . 51741 1 112 . 1 . 1 25 25 PHE CA C 13 59.29924854 . . 1 . . . . . 381 PHE CA . 51741 1 113 . 1 . 1 25 25 PHE CB C 13 34.01814307 . . 1 . . . . . 381 PHE CB . 51741 1 114 . 1 . 1 25 25 PHE N N 15 113.5346396 0.0069010251 . 1 . . . . . 381 PHE N . 51741 1 115 . 1 . 1 26 26 LYS H H 1 7.448969678 0.000870122 . 1 . . . . . 382 LYS H . 51741 1 116 . 1 . 1 26 26 LYS C C 13 174.5643317 0.0196857577 . 1 . . . . . 382 LYS C . 51741 1 117 . 1 . 1 26 26 LYS CA C 13 54.10699407 . . 1 . . . . . 382 LYS CA . 51741 1 118 . 1 . 1 26 26 LYS CB C 13 29.07975417 . . 1 . . . . . 382 LYS CB . 51741 1 119 . 1 . 1 26 26 LYS N N 15 117.318145 0.0142288557 . 1 . . . . . 382 LYS N . 51741 1 120 . 1 . 1 27 27 GLN H H 1 7.275827959 0.0008964418 . 1 . . . . . 383 GLN H . 51741 1 121 . 1 . 1 27 27 GLN C C 13 173.1837511 0 . 1 . . . . . 383 GLN C . 51741 1 122 . 1 . 1 27 27 GLN CA C 13 55.87283247 . . 1 . . . . . 383 GLN CA . 51741 1 123 . 1 . 1 27 27 GLN CB C 13 27.45121638 . . 1 . . . . . 383 GLN CB . 51741 1 124 . 1 . 1 27 27 GLN N N 15 116.9599083 0.023569216 . 1 . . . . . 383 GLN N . 51741 1 125 . 1 . 1 29 29 GLY H H 1 7.323017699 0.0014649115 . 1 . . . . . 385 GLY H . 51741 1 126 . 1 . 1 29 29 GLY C C 13 168.0708246 0.0214310245 . 1 . . . . . 385 GLY C . 51741 1 127 . 1 . 1 29 29 GLY CA C 13 41.9544166 . . 1 . . . . . 385 GLY CA . 51741 1 128 . 1 . 1 29 29 GLY N N 15 110.2298637 0.0081896251 . 1 . . . . . 385 GLY N . 51741 1 129 . 1 . 1 30 30 VAL H H 1 7.833034566 0.0007719798 . 1 . . . . . 386 VAL H . 51741 1 130 . 1 . 1 30 30 VAL C C 13 173.5216415 0.020276534 . 1 . . . . . 386 VAL C . 51741 1 131 . 1 . 1 30 30 VAL CA C 13 60.698 9.373636364 . 1 . . . . . 386 VAL CA . 51741 1 132 . 1 . 1 30 30 VAL CB C 13 30.03179214 . . 1 . . . . . 386 VAL CB . 51741 1 133 . 1 . 1 30 30 VAL N N 15 117.1095303 0.0039650289 . 1 . . . . . 386 VAL N . 51741 1 134 . 1 . 1 31 31 VAL H H 1 8.062901336 0.0011648606 . 1 . . . . . 387 VAL H . 51741 1 135 . 1 . 1 31 31 VAL C C 13 173.2502379 0.0116963276 . 1 . . . . . 387 VAL C . 51741 1 136 . 1 . 1 31 31 VAL CA C 13 59.80623368 . . 1 . . . . . 387 VAL CA . 51741 1 137 . 1 . 1 31 31 VAL CB C 13 29.34624387 0 . 1 . . . . . 387 VAL CB . 51741 1 138 . 1 . 1 31 31 VAL N N 15 129.5353776 0.0091870547 . 1 . . . . . 387 VAL N . 51741 1 139 . 1 . 1 32 32 LYS H H 1 8.32190728 0.0019623873 . 1 . . . . . 388 LYS H . 51741 1 140 . 1 . 1 32 32 LYS C C 13 171.9679649 0.0088739386 . 1 . . . . . 388 LYS C . 51741 1 141 . 1 . 1 32 32 LYS CA C 13 54.66418209 . . 1 . . . . . 388 LYS CA . 51741 1 142 . 1 . 1 32 32 LYS CB C 13 31.02603556 . . 1 . . . . . 388 LYS CB . 51741 1 143 . 1 . 1 32 32 LYS N N 15 128.5792577 0.0299909829 . 1 . . . . . 388 LYS N . 51741 1 144 . 1 . 1 33 33 MET H H 1 8.271843873 0.0015380945 . 1 . . . . . 389 MET H . 51741 1 145 . 1 . 1 33 33 MET C C 13 173.3701789 0.0134425884 . 1 . . . . . 389 MET C . 51741 1 146 . 1 . 1 33 33 MET CA C 13 50.57405406 0 . 1 . . . . . 389 MET CA . 51741 1 147 . 1 . 1 33 33 MET CB C 13 30.54800658 0 . 1 . . . . . 389 MET CB . 51741 1 148 . 1 . 1 33 33 MET N N 15 122.4487891 0.0104717852 . 1 . . . . . 389 MET N . 51741 1 149 . 1 . 1 34 34 ASN H H 1 8.627080413 0.0017954956 . 1 . . . . . 390 ASN H . 51741 1 150 . 1 . 1 34 34 ASN C C 13 173.6732775 0.0266170413 . 1 . . . . . 390 ASN C . 51741 1 151 . 1 . 1 34 34 ASN CA C 13 50.30937291 . . 1 . . . . . 390 ASN CA . 51741 1 152 . 1 . 1 34 34 ASN CB C 13 36.0922494 . . 1 . . . . . 390 ASN CB . 51741 1 153 . 1 . 1 34 34 ASN N N 15 122.3095566 0.0245652984 . 1 . . . . . 390 ASN N . 51741 1 154 . 1 . 1 35 35 LYS H H 1 8.797243689 0.0019304691 . 1 . . . . . 391 LYS H . 51741 1 155 . 1 . 1 35 35 LYS C C 13 174.9368034 0.0125249899 . 1 . . . . . 391 LYS C . 51741 1 156 . 1 . 1 35 35 LYS CA C 13 55.82209419 . . 1 . . . . . 391 LYS CA . 51741 1 157 . 1 . 1 35 35 LYS CB C 13 29.51116237 . . 1 . . . . . 391 LYS CB . 51741 1 158 . 1 . 1 35 35 LYS N N 15 127.0111929 0.0140632637 . 1 . . . . . 391 LYS N . 51741 1 159 . 1 . 1 36 36 ARG H H 1 8.22536028 0.0011520052 . 1 . . . . . 392 ARG H . 51741 1 160 . 1 . 1 36 36 ARG C C 13 175.324458 0.0087538762 . 1 . . . . . 392 ARG C . 51741 1 161 . 1 . 1 36 36 ARG CA C 13 55.53698198 . . 1 . . . . . 392 ARG CA . 51741 1 162 . 1 . 1 36 36 ARG CB C 13 27.71981016 . . 1 . . . . . 392 ARG CB . 51741 1 163 . 1 . 1 36 36 ARG N N 15 117.4057591 0.0201480131 . 1 . . . . . 392 ARG N . 51741 1 164 . 1 . 1 37 37 THR H H 1 7.361598969 0.0012967053 . 1 . . . . . 393 THR H . 51741 1 165 . 1 . 1 37 37 THR C C 13 173.7615654 0 . 1 . . . . . 393 THR C . 51741 1 166 . 1 . 1 37 37 THR CA C 13 58.55770049 0 . 1 . . . . . 393 THR CA . 51741 1 167 . 1 . 1 37 37 THR CB C 13 67.98577868 0 . 1 . . . . . 393 THR CB . 51741 1 168 . 1 . 1 37 37 THR N N 15 105.8606861 0.0000013487 . 1 . . . . . 393 THR N . 51741 1 169 . 1 . 1 38 38 GLY H H 1 8.379867475 0.0005479602 . 1 . . . . . 394 GLY H . 51741 1 170 . 1 . 1 38 38 GLY C C 13 170.7383279 0.0184263461 . 1 . . . . . 394 GLY C . 51741 1 171 . 1 . 1 38 38 GLY CA C 13 43.27159023 . . 1 . . . . . 394 GLY CA . 51741 1 172 . 1 . 1 38 38 GLY N N 15 111.1894719 0.0211819782 . 1 . . . . . 394 GLY N . 51741 1 173 . 1 . 1 39 39 GLN H H 1 7.4334793 0.0008348572 . 1 . . . . . 395 GLN H . 51741 1 174 . 1 . 1 39 39 GLN C C 13 170.5033639 0 . 1 . . . . . 395 GLN C . 51741 1 175 . 1 . 1 39 39 GLN CA C 13 50.20410925 . . 1 . . . . . 395 GLN CA . 51741 1 176 . 1 . 1 39 39 GLN CB C 13 27.10119571 . . 1 . . . . . 395 GLN CB . 51741 1 177 . 1 . 1 39 39 GLN N N 15 117.4496317 0.0579855097 . 1 . . . . . 395 GLN N . 51741 1 178 . 1 . 1 41 41 MET H H 1 8.928125762 0.0036767329 . 1 . . . . . 397 MET H . 51741 1 179 . 1 . 1 41 41 MET C C 13 171.1173493 0.0017069758 . 1 . . . . . 397 MET C . 51741 1 180 . 1 . 1 41 41 MET CA C 13 60.20223708 . . 1 . . . . . 397 MET CA . 51741 1 181 . 1 . 1 41 41 MET CB C 13 27.79824862 0 . 1 . . . . . 397 MET CB . 51741 1 182 . 1 . 1 41 41 MET N N 15 124.0226578 0.0013460322 . 1 . . . . . 397 MET N . 51741 1 183 . 1 . 1 42 42 ILE H H 1 7.59849952 0.001651112 . 1 . . . . . 398 ILE H . 51741 1 184 . 1 . 1 42 42 ILE C C 13 171.1975655 0.0007917932 . 1 . . . . . 398 ILE C . 51741 1 185 . 1 . 1 42 42 ILE CA C 13 57.02187812 . . 1 . . . . . 398 ILE CA . 51741 1 186 . 1 . 1 42 42 ILE CB C 13 38.76751876 . . 1 . . . . . 398 ILE CB . 51741 1 187 . 1 . 1 42 42 ILE N N 15 125.46177 0.0157336614 . 1 . . . . . 398 ILE N . 51741 1 188 . 1 . 1 43 43 HIS H H 1 8.711429985 0.0017179283 . 1 . . . . . 399 HIS H . 51741 1 189 . 1 . 1 43 43 HIS C C 13 170.4129984 0.0244285818 . 1 . . . . . 399 HIS C . 51741 1 190 . 1 . 1 43 43 HIS CA C 13 51.32043986 . . 1 . . . . . 399 HIS CA . 51741 1 191 . 1 . 1 43 43 HIS CB C 13 28.35373055 . . 1 . . . . . 399 HIS CB . 51741 1 192 . 1 . 1 43 43 HIS N N 15 126.3843844 0.0208890364 . 1 . . . . . 399 HIS N . 51741 1 193 . 1 . 1 44 44 ILE H H 1 8.183439117 0.0071622131 . 1 . . . . . 400 ILE H . 51741 1 194 . 1 . 1 44 44 ILE C C 13 172.3465399 0.0060878878 . 1 . . . . . 400 ILE C . 51741 1 195 . 1 . 1 44 44 ILE CA C 13 58.31097711 . . 1 . . . . . 400 ILE CA . 51741 1 196 . 1 . 1 44 44 ILE CB C 13 36.20355197 . . 1 . . . . . 400 ILE CB . 51741 1 197 . 1 . 1 44 44 ILE N N 15 126.8754041 0.0318258703 . 1 . . . . . 400 ILE N . 51741 1 198 . 1 . 1 45 45 TYR H H 1 7.301517894 0.001386253 . 1 . . . . . 401 TYR H . 51741 1 199 . 1 . 1 45 45 TYR C C 13 173.8909718 0.0009907809 . 1 . . . . . 401 TYR C . 51741 1 200 . 1 . 1 45 45 TYR CA C 13 56.90269031 . . 1 . . . . . 401 TYR CA . 51741 1 201 . 1 . 1 45 45 TYR CB C 13 34.88631732 . . 1 . . . . . 401 TYR CB . 51741 1 202 . 1 . 1 45 45 TYR N N 15 124.9363958 0.0148315355 . 1 . . . . . 401 TYR N . 51741 1 203 . 1 . 1 46 46 LEU H H 1 8.836792084 0.0018625565 . 1 . . . . . 402 LEU H . 51741 1 204 . 1 . 1 46 46 LEU C C 13 174.3138507 0.0121422508 . 1 . . . . . 402 LEU C . 51741 1 205 . 1 . 1 46 46 LEU CA C 13 50.75109528 . . 1 . . . . . 402 LEU CA . 51741 1 206 . 1 . 1 46 46 LEU CB C 13 40.88717281 . . 1 . . . . . 402 LEU CB . 51741 1 207 . 1 . 1 46 46 LEU N N 15 124.0926314 0.0268691975 . 1 . . . . . 402 LEU N . 51741 1 208 . 1 . 1 47 47 ASP H H 1 8.798293529 0.0012364045 . 1 . . . . . 403 ASP H . 51741 1 209 . 1 . 1 47 47 ASP C C 13 174.967869 0.00745153 . 1 . . . . . 403 ASP C . 51741 1 210 . 1 . 1 47 47 ASP CA C 13 51.52922228 0 . 1 . . . . . 403 ASP CA . 51741 1 211 . 1 . 1 47 47 ASP CB C 13 40.38428267 0 . 1 . . . . . 403 ASP CB . 51741 1 212 . 1 . 1 47 47 ASP N N 15 123.5183068 0.000002336 . 1 . . . . . 403 ASP N . 51741 1 213 . 1 . 1 48 48 LYS H H 1 8.879992626 0.0009909461 . 1 . . . . . 404 LYS H . 51741 1 214 . 1 . 1 48 48 LYS C C 13 174.6895031 0.0015449595 . 1 . . . . . 404 LYS C . 51741 1 215 . 1 . 1 48 48 LYS CA C 13 56.23879091 . . 1 . . . . . 404 LYS CA . 51741 1 216 . 1 . 1 48 48 LYS CB C 13 29.76338732 . . 1 . . . . . 404 LYS CB . 51741 1 217 . 1 . 1 48 48 LYS N N 15 128.1231787 0.0064908111 . 1 . . . . . 404 LYS N . 51741 1 218 . 1 . 1 49 49 GLU H H 1 8.547888323 0.0010403746 . 1 . . . . . 405 GLU H . 51741 1 219 . 1 . 1 49 49 GLU C C 13 175.8452384 0.0075331586 . 1 . . . . . 405 GLU C . 51741 1 220 . 1 . 1 49 49 GLU CA C 13 55.54584941 . . 1 . . . . . 405 GLU CA . 51741 1 221 . 1 . 1 49 49 GLU CB C 13 27.52569498 . . 1 . . . . . 405 GLU CB . 51741 1 222 . 1 . 1 49 49 GLU N N 15 117.2800572 0.0089551901 . 1 . . . . . 405 GLU N . 51741 1 223 . 1 . 1 50 50 THR H H 1 8.208731982 0.0015015258 . 1 . . . . . 406 THR H . 51741 1 224 . 1 . 1 50 50 THR C C 13 174.1954311 0 . 1 . . . . . 406 THR C . 51741 1 225 . 1 . 1 50 50 THR CA C 13 59.27687281 0 . 1 . . . . . 406 THR CA . 51741 1 226 . 1 . 1 50 50 THR CB C 13 68.25966464 0 . 1 . . . . . 406 THR CB . 51741 1 227 . 1 . 1 50 50 THR N N 15 107.1088688 0.003117551 . 1 . . . . . 406 THR N . 51741 1 228 . 1 . 1 51 51 GLY H H 1 8.319635177 0.0012180796 . 1 . . . . . 407 GLY H . 51741 1 229 . 1 . 1 51 51 GLY C C 13 170.3843283 0 . 1 . . . . . 407 GLY C . 51741 1 230 . 1 . 1 51 51 GLY CA C 13 43.30662878 0 . 1 . . . . . 407 GLY CA . 51741 1 231 . 1 . 1 51 51 GLY N N 15 110.3910123 0.0745181478 . 1 . . . . . 407 GLY N . 51741 1 232 . 1 . 1 52 52 LYS H H 1 7.740220129 0.0014355859 . 1 . . . . . 408 LYS H . 51741 1 233 . 1 . 1 52 52 LYS C C 13 171.4385027 0 . 1 . . . . . 408 LYS C . 51741 1 234 . 1 . 1 52 52 LYS CA C 13 51.28030511 . . 1 . . . . . 408 LYS CA . 51741 1 235 . 1 . 1 52 52 LYS CB C 13 30.10053889 . . 1 . . . . . 408 LYS CB . 51741 1 236 . 1 . 1 52 52 LYS N N 15 119.1391003 0.0080225939 . 1 . . . . . 408 LYS N . 51741 1 237 . 1 . 1 54 54 LYS H H 1 8.245524239 0.0053330504 . 1 . . . . . 410 LYS H . 51741 1 238 . 1 . 1 54 54 LYS C C 13 174.3022146 0.0283812492 . 1 . . . . . 410 LYS C . 51741 1 239 . 1 . 1 54 54 LYS CA C 13 53.96252994 . . 1 . . . . . 410 LYS CA . 51741 1 240 . 1 . 1 54 54 LYS CB C 13 31.10368321 . . 1 . . . . . 410 LYS CB . 51741 1 241 . 1 . 1 54 54 LYS N N 15 123.169592 0.0563978487 . 1 . . . . . 410 LYS N . 51741 1 242 . 1 . 1 55 55 GLY H H 1 9.376942416 0.0033689151 . 1 . . . . . 411 GLY H . 51741 1 243 . 1 . 1 55 55 GLY C C 13 169.1878648 0.0036730097 . 1 . . . . . 411 GLY C . 51741 1 244 . 1 . 1 55 55 GLY CA C 13 42.88136985 . . 1 . . . . . 411 GLY CA . 51741 1 245 . 1 . 1 55 55 GLY N N 15 109.1011901 0.0969886511 . 1 . . . . . 411 GLY N . 51741 1 246 . 1 . 1 56 56 ASP H H 1 8.603157586 0.0007093452 . 1 . . . . . 412 ASP H . 51741 1 247 . 1 . 1 56 56 ASP C C 13 174.2887548 0.0186804384 . 1 . . . . . 412 ASP C . 51741 1 248 . 1 . 1 56 56 ASP CA C 13 48.08098695 . . 1 . . . . . 412 ASP CA . 51741 1 249 . 1 . 1 56 56 ASP CB C 13 39.58367334 . . 1 . . . . . 412 ASP CB . 51741 1 250 . 1 . 1 56 56 ASP N N 15 118.3858214 0.012476039 . 1 . . . . . 412 ASP N . 51741 1 251 . 1 . 1 57 57 ALA H H 1 8.884169077 0.0010337319 . 1 . . . . . 413 ALA H . 51741 1 252 . 1 . 1 57 57 ALA C C 13 173.015454 0.0147654269 . 1 . . . . . 413 ALA C . 51741 1 253 . 1 . 1 57 57 ALA CA C 13 49.20895251 . . 1 . . . . . 413 ALA CA . 51741 1 254 . 1 . 1 57 57 ALA CB C 13 20.30736498 . . 1 . . . . . 413 ALA CB . 51741 1 255 . 1 . 1 57 57 ALA N N 15 120.9366903 0.0319528656 . 1 . . . . . 413 ALA N . 51741 1 256 . 1 . 1 58 58 THR H H 1 8.507856916 0.0030159543 . 1 . . . . . 414 THR H . 51741 1 257 . 1 . 1 58 58 THR C C 13 171.0598749 0.0035374227 . 1 . . . . . 414 THR C . 51741 1 258 . 1 . 1 58 58 THR CA C 13 57.69360155 0 . 1 . . . . . 414 THR CA . 51741 1 259 . 1 . 1 58 58 THR CB C 13 69.03873644 0 . 1 . . . . . 414 THR CB . 51741 1 260 . 1 . 1 58 58 THR N N 15 111.3770009 0 . 1 . . . . . 414 THR N . 51741 1 261 . 1 . 1 59 59 VAL H H 1 8.292006201 0.0029400158 . 1 . . . . . 415 VAL H . 51741 1 262 . 1 . 1 59 59 VAL C C 13 171.819391 0.007183669 . 1 . . . . . 415 VAL C . 51741 1 263 . 1 . 1 59 59 VAL CA C 13 58.73755579 0 . 1 . . . . . 415 VAL CA . 51741 1 264 . 1 . 1 59 59 VAL CB C 13 31.44662882 0 . 1 . . . . . 415 VAL CB . 51741 1 265 . 1 . 1 59 59 VAL N N 15 124.3925067 0.0258080038 . 1 . . . . . 415 VAL N . 51741 1 266 . 1 . 1 60 60 SER H H 1 7.693879631 0.0030935635 . 1 . . . . . 416 SER H . 51741 1 267 . 1 . 1 60 60 SER C C 13 169.6419812 0.0261724743 . 1 . . . . . 416 SER C . 51741 1 268 . 1 . 1 60 60 SER CA C 13 56.24577653 0 . 1 . . . . . 416 SER CA . 51741 1 269 . 1 . 1 60 60 SER CB C 13 61.4034308 0 . 1 . . . . . 416 SER CB . 51741 1 270 . 1 . 1 60 60 SER N N 15 121.4420114 0.0000013487 . 1 . . . . . 416 SER N . 51741 1 271 . 1 . 1 61 61 TYR H H 1 8.500688202 0.0022825648 . 1 . . . . . 417 TYR H . 51741 1 272 . 1 . 1 61 61 TYR C C 13 173.3466433 0.0020229094 . 1 . . . . . 417 TYR C . 51741 1 273 . 1 . 1 61 61 TYR CA C 13 55.98126715 . . 1 . . . . . 417 TYR CA . 51741 1 274 . 1 . 1 61 61 TYR CB C 13 38.08817663 . . 1 . . . . . 417 TYR CB . 51741 1 275 . 1 . 1 61 61 TYR N N 15 122.4206407 0.0338164606 . 1 . . . . . 417 TYR N . 51741 1 276 . 1 . 1 62 62 GLU H H 1 9.10910852 0.0010682405 . 1 . . . . . 418 GLU H . 51741 1 277 . 1 . 1 62 62 GLU C C 13 173.553248 0.0175102581 . 1 . . . . . 418 GLU C . 51741 1 278 . 1 . 1 62 62 GLU CA C 13 56.13439923 . . 1 . . . . . 418 GLU CA . 51741 1 279 . 1 . 1 62 62 GLU CB C 13 27.80997655 . . 1 . . . . . 418 GLU CB . 51741 1 280 . 1 . 1 62 62 GLU N N 15 116.6738343 0.0023335512 . 1 . . . . . 418 GLU N . 51741 1 281 . 1 . 1 63 63 ASP H H 1 7.476354234 0.0007668274 . 1 . . . . . 419 ASP H . 51741 1 282 . 1 . 1 63 63 ASP C C 13 171.4302996 0 . 1 . . . . . 419 ASP C . 51741 1 283 . 1 . 1 63 63 ASP CA C 13 49.18185614 . . 1 . . . . . 419 ASP CA . 51741 1 284 . 1 . 1 63 63 ASP CB C 13 38.21482843 . . 1 . . . . . 419 ASP CB . 51741 1 285 . 1 . 1 63 63 ASP N N 15 112.7955673 0.0412856768 . 1 . . . . . 419 ASP N . 51741 1 286 . 1 . 1 66 66 THR H H 1 7.903326485 0.0013482981 . 1 . . . . . 422 THR H . 51741 1 287 . 1 . 1 66 66 THR C C 13 172.46991 0 . 1 . . . . . 422 THR C . 51741 1 288 . 1 . 1 66 66 THR CA C 13 64.17675722 . . 1 . . . . . 422 THR CA . 51741 1 289 . 1 . 1 66 66 THR CB C 13 65.04305317 . . 1 . . . . . 422 THR CB . 51741 1 290 . 1 . 1 66 66 THR N N 15 115.6184031 0.0559282394 . 1 . . . . . 422 THR N . 51741 1 291 . 1 . 1 67 67 ALA H H 1 7.289659647 0.0016870693 . 1 . . . . . 423 ALA H . 51741 1 292 . 1 . 1 67 67 ALA C C 13 175.5308855 0.0011328415 . 1 . . . . . 423 ALA C . 51741 1 293 . 1 . 1 67 67 ALA CA C 13 52.68969812 . . 1 . . . . . 423 ALA CA . 51741 1 294 . 1 . 1 67 67 ALA CB C 13 14.61125014 . . 1 . . . . . 423 ALA CB . 51741 1 295 . 1 . 1 67 67 ALA N N 15 123.9696138 0.0252960247 . 1 . . . . . 423 ALA N . 51741 1 296 . 1 . 1 68 68 LYS H H 1 7.884239694 0.0017057111 . 1 . . . . . 424 LYS H . 51741 1 297 . 1 . 1 68 68 LYS C C 13 176.622049 0.0030705096 . 1 . . . . . 424 LYS C . 51741 1 298 . 1 . 1 68 68 LYS CA C 13 57.27816181 . . 1 . . . . . 424 LYS CA . 51741 1 299 . 1 . 1 68 68 LYS CB C 13 29.67219345 . . 1 . . . . . 424 LYS CB . 51741 1 300 . 1 . 1 68 68 LYS N N 15 115.8415081 0.0637753849 . 1 . . . . . 424 LYS N . 51741 1 301 . 1 . 1 69 69 ALA H H 1 7.671962285 0.0017359309 . 1 . . . . . 425 ALA H . 51741 1 302 . 1 . 1 69 69 ALA C C 13 177.2944905 0.0061410178 . 1 . . . . . 425 ALA C . 51741 1 303 . 1 . 1 69 69 ALA CA C 13 51.86297151 . . 1 . . . . . 425 ALA CA . 51741 1 304 . 1 . 1 69 69 ALA CB C 13 14.81579367 . . 1 . . . . . 425 ALA CB . 51741 1 305 . 1 . 1 69 69 ALA N N 15 121.7373721 0.0434477366 . 1 . . . . . 425 ALA N . 51741 1 306 . 1 . 1 70 70 ALA H H 1 8.096464043 0.0038208442 . 1 . . . . . 426 ALA H . 51741 1 307 . 1 . 1 70 70 ALA C C 13 177.2747308 0.0013395699 . 1 . . . . . 426 ALA C . 51741 1 308 . 1 . 1 70 70 ALA CA C 13 52.58053826 0 . 1 . . . . . 426 ALA CA . 51741 1 309 . 1 . 1 70 70 ALA CB C 13 16.4511085 0 . 1 . . . . . 426 ALA CB . 51741 1 310 . 1 . 1 70 70 ALA N N 15 122.5766617 0.0000013487 . 1 . . . . . 426 ALA N . 51741 1 311 . 1 . 1 71 71 VAL H H 1 7.820398898 0.0017441359 . 1 . . . . . 427 VAL H . 51741 1 312 . 1 . 1 71 71 VAL C C 13 174.8722154 0.0042716473 . 1 . . . . . 427 VAL C . 51741 1 313 . 1 . 1 71 71 VAL CA C 13 64.77561823 0 . 1 . . . . . 427 VAL CA . 51741 1 314 . 1 . 1 71 71 VAL CB C 13 28.89477727 0 . 1 . . . . . 427 VAL CB . 51741 1 315 . 1 . 1 71 71 VAL N N 15 119.2340762 0 . 1 . . . . . 427 VAL N . 51741 1 316 . 1 . 1 72 72 GLU H H 1 7.114765455 0.0022056511 . 1 . . . . . 428 GLU H . 51741 1 317 . 1 . 1 72 72 GLU C C 13 175.9859126 0.012899682 . 1 . . . . . 428 GLU C . 51741 1 318 . 1 . 1 72 72 GLU CA C 13 55.92413172 . . 1 . . . . . 428 GLU CA . 51741 1 319 . 1 . 1 72 72 GLU CB C 13 26.73605807 . . 1 . . . . . 428 GLU CB . 51741 1 320 . 1 . 1 72 72 GLU N N 15 115.6354375 0.0153176667 . 1 . . . . . 428 GLU N . 51741 1 321 . 1 . 1 73 73 TRP H H 1 8.396202934 0.0019485193 . 1 . . . . . 429 TRP H . 51741 1 322 . 1 . 1 73 73 TRP C C 13 175.1843549 0.0087576062 . 1 . . . . . 429 TRP C . 51741 1 323 . 1 . 1 73 73 TRP CA C 13 57.41947195 . . 1 . . . . . 429 TRP CA . 51741 1 324 . 1 . 1 73 73 TRP CB C 13 27.41378823 0 . 1 . . . . . 429 TRP CB . 51741 1 325 . 1 . 1 73 73 TRP N N 15 118.9010176 0.0139259712 . 1 . . . . . 429 TRP N . 51741 1 326 . 1 . 1 74 74 PHE H H 1 8.527401561 0.0026098384 . 1 . . . . . 430 PHE H . 51741 1 327 . 1 . 1 74 74 PHE C C 13 174.0291038 0.0182680995 . 1 . . . . . 430 PHE C . 51741 1 328 . 1 . 1 74 74 PHE CA C 13 57.56873719 . . 1 . . . . . 430 PHE CA . 51741 1 329 . 1 . 1 74 74 PHE CB C 13 39.0930098 . . 1 . . . . . 430 PHE CB . 51741 1 330 . 1 . 1 74 74 PHE N N 15 111.3722803 0.0065901506 . 1 . . . . . 430 PHE N . 51741 1 331 . 1 . 1 75 75 ASP H H 1 8.107886722 0.0006579915 . 1 . . . . . 431 ASP H . 51741 1 332 . 1 . 1 75 75 ASP C C 13 175.1124221 0.0241447133 . 1 . . . . . 431 ASP C . 51741 1 333 . 1 . 1 75 75 ASP CA C 13 55.78501039 . . 1 . . . . . 431 ASP CA . 51741 1 334 . 1 . 1 75 75 ASP CB C 13 38.86018101 . . 1 . . . . . 431 ASP CB . 51741 1 335 . 1 . 1 75 75 ASP N N 15 117.7973536 0.0151321875 . 1 . . . . . 431 ASP N . 51741 1 336 . 1 . 1 76 76 GLY H H 1 8.521534121 0.0026696384 . 1 . . . . . 432 GLY H . 51741 1 337 . 1 . 1 76 76 GLY C C 13 171.4090548 0.0068320797 . 1 . . . . . 432 GLY C . 51741 1 338 . 1 . 1 76 76 GLY CA C 13 43.28388654 . . 1 . . . . . 432 GLY CA . 51741 1 339 . 1 . 1 76 76 GLY N N 15 115.4230634 0.0125937636 . 1 . . . . . 432 GLY N . 51741 1 340 . 1 . 1 77 77 LYS H H 1 7.994178692 0.0026469078 . 1 . . . . . 433 LYS H . 51741 1 341 . 1 . 1 77 77 LYS C C 13 172.8012337 0.0015653686 . 1 . . . . . 433 LYS C . 51741 1 342 . 1 . 1 77 77 LYS CA C 13 52.78085563 0 . 1 . . . . . 433 LYS CA . 51741 1 343 . 1 . 1 77 77 LYS CB C 13 30.86020338 0 . 1 . . . . . 433 LYS CB . 51741 1 344 . 1 . 1 77 77 LYS N N 15 120.8882797 0.0414707561 . 1 . . . . . 433 LYS N . 51741 1 345 . 1 . 1 78 78 ASP H H 1 8.136502193 0.0010735214 . 1 . . . . . 434 ASP H . 51741 1 346 . 1 . 1 78 78 ASP C C 13 173.3472919 0.0152117671 . 1 . . . . . 434 ASP C . 51741 1 347 . 1 . 1 78 78 ASP CA C 13 51.62234329 . . 1 . . . . . 434 ASP CA . 51741 1 348 . 1 . 1 78 78 ASP CB C 13 39.87038147 . . 1 . . . . . 434 ASP CB . 51741 1 349 . 1 . 1 78 78 ASP N N 15 119.9556151 0.0494884988 . 1 . . . . . 434 ASP N . 51741 1 350 . 1 . 1 79 79 PHE H H 1 8.963517006 0.0025332397 . 1 . . . . . 435 PHE H . 51741 1 351 . 1 . 1 79 79 PHE C C 13 171.8658475 0.0008323692 . 1 . . . . . 435 PHE C . 51741 1 352 . 1 . 1 79 79 PHE CA C 13 54.40106624 . . 1 . . . . . 435 PHE CA . 51741 1 353 . 1 . 1 79 79 PHE CB C 13 38.46027436 . . 1 . . . . . 435 PHE CB . 51741 1 354 . 1 . 1 79 79 PHE N N 15 123.116424 0.0222161437 . 1 . . . . . 435 PHE N . 51741 1 355 . 1 . 1 80 80 GLN H H 1 8.838343699 0.0012927723 . 1 . . . . . 436 GLN H . 51741 1 356 . 1 . 1 80 80 GLN C C 13 173.2720301 0.0066057038 . 1 . . . . . 436 GLN C . 51741 1 357 . 1 . 1 80 80 GLN CA C 13 53.75326294 . . 1 . . . . . 436 GLN CA . 51741 1 358 . 1 . 1 80 80 GLN CB C 13 22.81542656 . . 1 . . . . . 436 GLN CB . 51741 1 359 . 1 . 1 80 80 GLN N N 15 124.8834409 0.0149493716 . 1 . . . . . 436 GLN N . 51741 1 360 . 1 . 1 81 81 GLY H H 1 8.423270688 0.0006125337 . 1 . . . . . 437 GLY H . 51741 1 361 . 1 . 1 81 81 GLY C C 13 171.6849803 0.0016808828 . 1 . . . . . 437 GLY C . 51741 1 362 . 1 . 1 81 81 GLY CA C 13 42.86470576 . . 1 . . . . . 437 GLY CA . 51741 1 363 . 1 . 1 81 81 GLY N N 15 104.3144205 0.0109850968 . 1 . . . . . 437 GLY N . 51741 1 364 . 1 . 1 82 82 SER H H 1 7.533451533 0.001171672 . 1 . . . . . 438 SER H . 51741 1 365 . 1 . 1 82 82 SER C C 13 169.7058611 0.0138819742 . 1 . . . . . 438 SER C . 51741 1 366 . 1 . 1 82 82 SER CA C 13 54.0141586 . . 1 . . . . . 438 SER CA . 51741 1 367 . 1 . 1 82 82 SER CB C 13 62.79481488 . . 1 . . . . . 438 SER CB . 51741 1 368 . 1 . 1 82 82 SER N N 15 115.8564064 0.0087282956 . 1 . . . . . 438 SER N . 51741 1 369 . 1 . 1 83 83 LYS H H 1 8.252970659 0.0015680214 . 1 . . . . . 439 LYS H . 51741 1 370 . 1 . 1 83 83 LYS C C 13 173.9701219 0.0028143451 . 1 . . . . . 439 LYS C . 51741 1 371 . 1 . 1 83 83 LYS CA C 13 53.70648117 . . 1 . . . . . 439 LYS CA . 51741 1 372 . 1 . 1 83 83 LYS CB C 13 30.24498855 . . 1 . . . . . 439 LYS CB . 51741 1 373 . 1 . 1 83 83 LYS N N 15 124.2764614 0.0083015583 . 1 . . . . . 439 LYS N . 51741 1 374 . 1 . 1 84 84 LEU H H 1 8.612336059 0.0012540375 . 1 . . . . . 440 LEU H . 51741 1 375 . 1 . 1 84 84 LEU C C 13 175.4483726 0.0013149782 . 1 . . . . . 440 LEU C . 51741 1 376 . 1 . 1 84 84 LEU CA C 13 51.82425004 . . 1 . . . . . 440 LEU CA . 51741 1 377 . 1 . 1 84 84 LEU CB C 13 41.26676604 . . 1 . . . . . 440 LEU CB . 51741 1 378 . 1 . 1 84 84 LEU N N 15 124.2524882 0.0107230344 . 1 . . . . . 440 LEU N . 51741 1 379 . 1 . 1 85 85 LYS H H 1 8.307058448 0.0020505545 . 1 . . . . . 441 LYS H . 51741 1 380 . 1 . 1 85 85 LYS C C 13 173.3630629 0.0136371206 . 1 . . . . . 441 LYS C . 51741 1 381 . 1 . 1 85 85 LYS CA C 13 52.46080341 0 . 1 . . . . . 441 LYS CA . 51741 1 382 . 1 . 1 85 85 LYS CB C 13 31.46348308 0 . 1 . . . . . 441 LYS CB . 51741 1 383 . 1 . 1 85 85 LYS N N 15 123.1061781 0.0057174749 . 1 . . . . . 441 LYS N . 51741 1 384 . 1 . 1 86 86 VAL H H 1 9.53325117 0.0017253235 . 1 . . . . . 442 VAL H . 51741 1 385 . 1 . 1 86 86 VAL C C 13 170.5031434 0.0061206937 . 1 . . . . . 442 VAL C . 51741 1 386 . 1 . 1 86 86 VAL CA C 13 58.63430394 . . 1 . . . . . 442 VAL CA . 51741 1 387 . 1 . 1 86 86 VAL CB C 13 32.30555654 . . 1 . . . . . 442 VAL CB . 51741 1 388 . 1 . 1 86 86 VAL N N 15 127.384016 0.0145620007 . 1 . . . . . 442 VAL N . 51741 1 389 . 1 . 1 87 87 SER H H 1 8.93576663 0.0018088019 . 1 . . . . . 443 SER H . 51741 1 390 . 1 . 1 87 87 SER C C 13 170.9927989 0.0061206934 . 1 . . . . . 443 SER C . 51741 1 391 . 1 . 1 87 87 SER CA C 13 54.01094625 . . 1 . . . . . 443 SER CA . 51741 1 392 . 1 . 1 87 87 SER CB C 13 63.96548684 . . 1 . . . . . 443 SER CB . 51741 1 393 . 1 . 1 87 87 SER N N 15 118.931583 0.0070906613 . 1 . . . . . 443 SER N . 51741 1 394 . 1 . 1 88 88 LEU H H 1 8.890452708 0.0030919593 . 1 . . . . . 444 LEU H . 51741 1 395 . 1 . 1 88 88 LEU C C 13 175.0990478 0.0000038147 . 1 . . . . . 444 LEU C . 51741 1 396 . 1 . 1 88 88 LEU CA C 13 53.17039772 . . 1 . . . . . 444 LEU CA . 51741 1 397 . 1 . 1 88 88 LEU CB C 13 39.36299508 . . 1 . . . . . 444 LEU CB . 51741 1 398 . 1 . 1 88 88 LEU N N 15 122.1833152 0.0639152272 . 1 . . . . . 444 LEU N . 51741 1 399 . 1 . 1 89 89 ALA H H 1 8.304189298 0.0016894481 . 1 . . . . . 445 ALA H . 51741 1 400 . 1 . 1 89 89 ALA C C 13 174.4277904 0.012654455 . 1 . . . . . 445 ALA C . 51741 1 401 . 1 . 1 89 89 ALA CA C 13 50.22502301 . . 1 . . . . . 445 ALA CA . 51741 1 402 . 1 . 1 89 89 ALA CB C 13 16.24611422 . . 1 . . . . . 445 ALA CB . 51741 1 403 . 1 . 1 89 89 ALA N N 15 125.9032554 0.0116404081 . 1 . . . . . 445 ALA N . 51741 1 404 . 1 . 1 90 90 ARG H H 1 8.17620392 0.0010503013 . 1 . . . . . 446 ARG H . 51741 1 405 . 1 . 1 90 90 ARG C C 13 173.1912174 0.0057304016 . 1 . . . . . 446 ARG C . 51741 1 406 . 1 . 1 90 90 ARG CA C 13 52.95004144 0 . 1 . . . . . 446 ARG CA . 51741 1 407 . 1 . 1 90 90 ARG CB C 13 28.26869727 0 . 1 . . . . . 446 ARG CB . 51741 1 408 . 1 . 1 90 90 ARG N N 15 120.0041006 0.0133880699 . 1 . . . . . 446 ARG N . 51741 1 409 . 1 . 1 91 91 LYS H H 1 8.108967803 0.0003049085 . 1 . . . . . 447 LYS H . 51741 1 410 . 1 . 1 91 91 LYS C C 13 173.3573991 0 . 1 . . . . . 447 LYS C . 51741 1 411 . 1 . 1 91 91 LYS CA C 13 53.22322652 . . 1 . . . . . 447 LYS CA . 51741 1 412 . 1 . 1 91 91 LYS CB C 13 30.50484678 . . 1 . . . . . 447 LYS CB . 51741 1 413 . 1 . 1 91 91 LYS N N 15 122.4508069 0.006752635 . 1 . . . . . 447 LYS N . 51741 1 414 . 1 . 1 92 92 LYS H H 1 8.21506168 0.0022464723 . 1 . . . . . 448 LYS H . 51741 1 415 . 1 . 1 92 92 LYS C C 13 171.2933072 0 . 1 . . . . . 448 LYS C . 51741 1 416 . 1 . 1 92 92 LYS CA C 13 51.50538645 . . 1 . . . . . 448 LYS CA . 51741 1 417 . 1 . 1 92 92 LYS CB C 13 29.73465328 . . 1 . . . . . 448 LYS CB . 51741 1 418 . 1 . 1 92 92 LYS N N 15 124.3170896 0.0272955967 . 1 . . . . . 448 LYS N . 51741 1 419 . 1 . 1 96 96 ASN H H 1 8.400917709 0.0006618386 . 1 . . . . . 452 ASN H . 51741 1 420 . 1 . 1 96 96 ASN C C 13 172.5629241 0.0107101822 . 1 . . . . . 452 ASN C . 51741 1 421 . 1 . 1 96 96 ASN CA C 13 50.66773547 . . 1 . . . . . 452 ASN CA . 51741 1 422 . 1 . 1 96 96 ASN CB C 13 36.11694044 . . 1 . . . . . 452 ASN CB . 51741 1 423 . 1 . 1 96 96 ASN N N 15 119.8242141 0.0140553999 . 1 . . . . . 452 ASN N . 51741 1 424 . 1 . 1 97 97 SER H H 1 8.217339735 0.0012127746 . 1 . . . . . 453 SER H . 51741 1 425 . 1 . 1 97 97 SER C C 13 171.8600766 0.010826698 . 1 . . . . . 453 SER C . 51741 1 426 . 1 . 1 97 97 SER CA C 13 55.91618548 . . 1 . . . . . 453 SER CA . 51741 1 427 . 1 . 1 97 97 SER CB C 13 61.0401656 . . 1 . . . . . 453 SER CB . 51741 1 428 . 1 . 1 97 97 SER N N 15 116.1163726 0.0147001257 . 1 . . . . . 453 SER N . 51741 1 429 . 1 . 1 98 98 MET H H 1 8.285002924 0.0008420206 . 1 . . . . . 454 MET H . 51741 1 430 . 1 . 1 98 98 MET C C 13 173.7292802 0 . 1 . . . . . 454 MET C . 51741 1 431 . 1 . 1 98 98 MET CA C 13 53.10095175 0 . 1 . . . . . 454 MET CA . 51741 1 432 . 1 . 1 98 98 MET CB C 13 29.95659356 0 . 1 . . . . . 454 MET CB . 51741 1 433 . 1 . 1 98 98 MET N N 15 121.8747571 0.0499852972 . 1 . . . . . 454 MET N . 51741 1 434 . 1 . 1 128 128 MET H H 1 8.441087577 0.0012416996 . 1 . . . . . 484 MET H . 51741 1 435 . 1 . 1 128 128 MET C C 13 174.2692155 0 . 1 . . . . . 484 MET C . 51741 1 436 . 1 . 1 128 128 MET CA C 13 52.9467849 . . 1 . . . . . 484 MET CA . 51741 1 437 . 1 . 1 128 128 MET CB C 13 30.07320275 . . 1 . . . . . 484 MET CB . 51741 1 438 . 1 . 1 128 128 MET N N 15 119.3656682 0.0116173402 . 1 . . . . . 484 MET N . 51741 1 439 . 1 . 1 129 129 GLY H H 1 8.164992689 0.0004968186837 . 1 . . . . . 485 GLY H . 51741 1 440 . 1 . 1 129 129 GLY C C 13 171.5282649 0.008078165047 . 1 . . . . . 485 GLY C . 51741 1 441 . 1 . 1 129 129 GLY CA C 13 42.7667939 . . 1 . . . . . 485 GLY CA . 51741 1 442 . 1 . 1 129 129 GLY N N 15 109.2924604 0.01861179674 . 1 . . . . . 485 GLY N . 51741 1 443 . 1 . 1 130 130 ARG H H 1 8.108502608 0.0006185786 . 1 . . . . . 486 ARG H . 51741 1 444 . 1 . 1 130 130 ARG C C 13 173.901157 0.0116895962 . 1 . . . . . 486 ARG C . 51741 1 445 . 1 . 1 130 130 ARG CA C 13 53.54676101 . . 1 . . . . . 486 ARG CA . 51741 1 446 . 1 . 1 130 130 ARG CB C 13 27.98796697 . . 1 . . . . . 486 ARG CB . 51741 1 447 . 1 . 1 130 130 ARG N N 15 120.2811459 0.0316960714 . 1 . . . . . 486 ARG N . 51741 1 448 . 1 . 1 131 131 MET H H 1 8.372189166 0.0020293699 . 1 . . . . . 487 MET H . 51741 1 449 . 1 . 1 131 131 MET C C 13 174.0938291 0.2138201944 . 1 . . . . . 487 MET C . 51741 1 450 . 1 . 1 131 131 MET CA C 13 52.86386017 0 . 1 . . . . . 487 MET CA . 51741 1 451 . 1 . 1 131 131 MET CB C 13 29.96119824 0 . 1 . . . . . 487 MET CB . 51741 1 452 . 1 . 1 131 131 MET N N 15 121.0428121 0.0648679186 . 1 . . . . . 487 MET N . 51741 1 453 . 1 . 1 132 132 GLY H H 1 8.325260253 0.0006217187 . 1 . . . . . 488 GLY H . 51741 1 454 . 1 . 1 132 132 GLY C C 13 171.8683113 0 . 1 . . . . . 488 GLY C . 51741 1 455 . 1 . 1 132 132 GLY CA C 13 42.59370617 0 . 1 . . . . . 488 GLY CA . 51741 1 456 . 1 . 1 132 132 GLY N N 15 109.7067029 0.0825338619 . 1 . . . . . 488 GLY N . 51741 1 457 . 1 . 1 137 137 ASP H H 1 8.207637686 0.0006396089 . 1 . . . . . 493 ASP H . 51741 1 458 . 1 . 1 137 137 ASP C C 13 173.8932547 0.0029819693 . 1 . . . . . 493 ASP C . 51741 1 459 . 1 . 1 137 137 ASP CA C 13 51.69445084 . . 1 . . . . . 493 ASP CA . 51741 1 460 . 1 . 1 137 137 ASP CB C 13 38.53744567 . . 1 . . . . . 493 ASP CB . 51741 1 461 . 1 . 1 137 137 ASP N N 15 120.2971262 0.017460981 . 1 . . . . . 493 ASP N . 51741 1 462 . 1 . 1 138 138 ARG H H 1 8.32889373 0.0007856792 . 1 . . . . . 494 ARG H . 51741 1 463 . 1 . 1 138 138 ARG C C 13 174.2246634 . . 1 . . . . . 494 ARG C . 51741 1 464 . 1 . 1 138 138 ARG CA C 13 53.51719478 0 . 1 . . . . . 494 ARG CA . 51741 1 465 . 1 . 1 138 138 ARG CB C 13 27.6317165 0 . 1 . . . . . 494 ARG CB . 51741 1 466 . 1 . 1 138 138 ARG N N 15 121.2392831 0.0312714662 . 1 . . . . . 494 ARG N . 51741 1 467 . 1 . 1 149 149 SER H H 1 8.129005033 0.0010689702 . 1 . . . . . 505 SER H . 51741 1 468 . 1 . 1 149 149 SER C C 13 172.0310647 0.0038983253 . 1 . . . . . 505 SER C . 51741 1 469 . 1 . 1 149 149 SER CA C 13 55.6935075 . . 1 . . . . . 505 SER CA . 51741 1 470 . 1 . 1 149 149 SER CB C 13 61.30270177 . . 1 . . . . . 505 SER CB . 51741 1 471 . 1 . 1 149 149 SER N N 15 115.6492798 0.0094066393 . 1 . . . . . 505 SER N . 51741 1 472 . 1 . 1 150 150 ARG H H 1 8.372074974 0.0008100357 . 1 . . . . . 506 ARG H . 51741 1 473 . 1 . 1 150 150 ARG C C 13 174.0094306 0 . 1 . . . . . 506 ARG C . 51741 1 474 . 1 . 1 150 150 ARG CA C 13 53.78797892 . . 1 . . . . . 506 ARG CA . 51741 1 475 . 1 . 1 150 150 ARG CB C 13 27.85835083 . . 1 . . . . . 506 ARG CB . 51741 1 476 . 1 . 1 150 150 ARG N N 15 122.5110127 0.0064251848 . 1 . . . . . 506 ARG N . 51741 1 477 . 1 . 1 151 151 GLY H H 1 8.277102371 0.001736409484 . 1 . . . . . 507 GLY H . 51741 1 478 . 1 . 1 151 151 GLY C C 13 170.6055104 0 . 1 . . . . . 507 GLY C . 51741 1 479 . 1 . 1 151 151 GLY CA C 13 42.30483868 0 . 1 . . . . . 507 GLY CA . 51741 1 480 . 1 . 1 151 151 GLY N N 15 109.187577 0.09798915863 . 1 . . . . . 507 GLY N . 51741 1 481 . 1 . 1 152 152 ASN H H 1 8.216149458 0.0008701946 . 1 . . . . . 508 ASN H . 51741 1 482 . 1 . 1 152 152 ASN C C 13 170.8250581 0 . 1 . . . . . 508 ASN C . 51741 1 483 . 1 . 1 152 152 ASN CA C 13 48.53783219 . . 1 . . . . . 508 ASN CA . 51741 1 484 . 1 . 1 152 152 ASN CB C 13 36.03628514 . . 1 . . . . . 508 ASN CB . 51741 1 485 . 1 . 1 152 152 ASN N N 15 119.1384362 0.0082748878 . 1 . . . . . 508 ASN N . 51741 1 486 . 1 . 1 154 154 SER H H 1 8.316997842 0.0008430613 . 1 . . . . . 510 SER H . 51741 1 487 . 1 . 1 154 154 SER C C 13 172.4838794 0.0029058123 . 1 . . . . . 510 SER C . 51741 1 488 . 1 . 1 154 154 SER CA C 13 55.90613112 . . 1 . . . . . 510 SER CA . 51741 1 489 . 1 . 1 154 154 SER CB C 13 61.07675239 . . 1 . . . . . 510 SER CB . 51741 1 490 . 1 . 1 154 154 SER N N 15 115.4661743 0.0196221465 . 1 . . . . . 510 SER N . 51741 1 491 . 1 . 1 155 155 GLY H H 1 8.246179559 0.0009205698 . 1 . . . . . 511 GLY H . 51741 1 492 . 1 . 1 155 155 GLY C C 13 171.9385849 0.0097155065 . 1 . . . . . 511 GLY C . 51741 1 493 . 1 . 1 155 155 GLY CA C 13 42.75892988 0 . 1 . . . . . 511 GLY CA . 51741 1 494 . 1 . 1 155 155 GLY N N 15 110.6105044 0 . 1 . . . . . 511 GLY N . 51741 1 495 . 1 . 1 158 158 ASN H H 1 8.305611837 0.000722035 . 1 . . . . . 514 ASN H . 51741 1 496 . 1 . 1 158 158 ASN C C 13 172.5655982 0.0081390759 . 1 . . . . . 514 ASN C . 51741 1 497 . 1 . 1 158 158 ASN CA C 13 50.52000653 . . 1 . . . . . 514 ASN CA . 51741 1 498 . 1 . 1 158 158 ASN CB C 13 36.09705219 . . 1 . . . . . 514 ASN CB . 51741 1 499 . 1 . 1 158 158 ASN N N 15 118.7564288 0.0077529364 . 1 . . . . . 514 ASN N . 51741 1 500 . 1 . 1 159 159 VAL H H 1 7.990059407 0.0005627219 . 1 . . . . . 515 VAL H . 51741 1 501 . 1 . 1 159 159 VAL C C 13 173.2524635 0.0120520997 . 1 . . . . . 515 VAL C . 51741 1 502 . 1 . 1 159 159 VAL CA C 13 59.69544288 . . 1 . . . . . 515 VAL CA . 51741 1 503 . 1 . 1 159 159 VAL CB C 13 29.90449865 . . 1 . . . . . 515 VAL CB . 51741 1 504 . 1 . 1 159 159 VAL N N 15 120.1779414 0.0047275649 . 1 . . . . . 515 VAL N . 51741 1 505 . 1 . 1 160 160 GLN H H 1 8.343573434 0.0011018276 . 1 . . . . . 516 GLN H . 51741 1 506 . 1 . 1 160 160 GLN C C 13 172.9310742 0 . 1 . . . . . 516 GLN C . 51741 1 507 . 1 . 1 160 160 GLN CA C 13 53.05258002 . . 1 . . . . . 516 GLN CA . 51741 1 508 . 1 . 1 160 160 GLN CB C 13 26.72958612 . . 1 . . . . . 516 GLN CB . 51741 1 509 . 1 . 1 160 160 GLN N N 15 123.5511212 0.0067064249 . 1 . . . . . 516 GLN N . 51741 1 510 . 1 . 1 162 162 ARG H H 1 8.411810399 0.0018036098 . 1 . . . . . 518 ARG H . 51741 1 511 . 1 . 1 162 162 ARG C C 13 173.1356102 0.0065182511 . 1 . . . . . 518 ARG C . 51741 1 512 . 1 . 1 162 162 ARG CA C 13 52.95920916 . . 1 . . . . . 518 ARG CA . 51741 1 513 . 1 . 1 162 162 ARG CB C 13 28.51862354 . . 1 . . . . . 518 ARG CB . 51741 1 514 . 1 . 1 162 162 ARG N N 15 123.579363 0.0144134001 . 1 . . . . . 518 ARG N . 51741 1 515 . 1 . 1 163 163 ALA H H 1 8.416560431 0.00184912 . 1 . . . . . 519 ALA H . 51741 1 516 . 1 . 1 163 163 ALA C C 13 175.5364927 0.0030579367 . 1 . . . . . 519 ALA C . 51741 1 517 . 1 . 1 163 163 ALA CA C 13 50.28669943 . . 1 . . . . . 519 ALA CA . 51741 1 518 . 1 . 1 163 163 ALA CB C 13 16.42115605 . . 1 . . . . . 519 ALA CB . 51741 1 519 . 1 . 1 163 163 ALA N N 15 125.7408608 0.0072823491 . 1 . . . . . 519 ALA N . 51741 1 520 . 1 . 1 164 164 GLY H H 1 8.473267271 0.0023292358 . 1 . . . . . 520 GLY H . 51741 1 521 . 1 . 1 164 164 GLY C C 13 171.4285171 0.0171806899 . 1 . . . . . 520 GLY C . 51741 1 522 . 1 . 1 164 164 GLY CA C 13 42.43128454 0 . 1 . . . . . 520 GLY CA . 51741 1 523 . 1 . 1 164 164 GLY N N 15 109.1986357 0.0103862179 . 1 . . . . . 520 GLY N . 51741 1 524 . 1 . 1 165 165 ASP H H 1 7.944340355 0.0006415657 . 1 . . . . . 521 ASP H . 51741 1 525 . 1 . 1 165 165 ASP C C 13 173.3639649 0.018511056 . 1 . . . . . 521 ASP C . 51741 1 526 . 1 . 1 165 165 ASP CA C 13 52.70920451 . . 1 . . . . . 521 ASP CA . 51741 1 527 . 1 . 1 165 165 ASP CB C 13 38.09280226 . . 1 . . . . . 521 ASP CB . 51741 1 528 . 1 . 1 165 165 ASP N N 15 122.2561771 0.0052482423 . 1 . . . . . 521 ASP N . 51741 1 529 . 1 . 1 166 166 TRP H H 1 8.642328453 0.0007258934 . 1 . . . . . 522 TRP H . 51741 1 530 . 1 . 1 166 166 TRP C C 13 170.9538254 0.0074044225 . 1 . . . . . 522 TRP C . 51741 1 531 . 1 . 1 166 166 TRP CA C 13 51.05126147 . . 1 . . . . . 522 TRP CA . 51741 1 532 . 1 . 1 166 166 TRP CB C 13 28.24525846 . . 1 . . . . . 522 TRP CB . 51741 1 533 . 1 . 1 166 166 TRP N N 15 118.1457241 0.0108001379 . 1 . . . . . 522 TRP N . 51741 1 534 . 1 . 1 167 167 GLN H H 1 8.784447513 0.0009423789 . 1 . . . . . 523 GLN H . 51741 1 535 . 1 . 1 167 167 GLN C C 13 172.3791767 0.0185110559 . 1 . . . . . 523 GLN C . 51741 1 536 . 1 . 1 167 167 GLN CA C 13 51.75021629 . . 1 . . . . . 523 GLN CA . 51741 1 537 . 1 . 1 167 167 GLN CB C 13 26.95019536 . . 1 . . . . . 523 GLN CB . 51741 1 538 . 1 . 1 167 167 GLN N N 15 123.3890289 0.0088712682 . 1 . . . . . 523 GLN N . 51741 1 539 . 1 . 1 168 168 CYS H H 1 8.620080314 0.0008927832 . 1 . . . . . 524 CYS H . 51741 1 540 . 1 . 1 168 168 CYS C C 13 172.804931 0 . 1 . . . . . 524 CYS C . 51741 1 541 . 1 . 1 168 168 CYS CA C 13 54.98141195 . . 1 . . . . . 524 CYS CA . 51741 1 542 . 1 . 1 168 168 CYS CB C 13 29.38891574 . . 1 . . . . . 524 CYS CB . 51741 1 543 . 1 . 1 168 168 CYS N N 15 131.5009368 0.0091502601 . 1 . . . . . 524 CYS N . 51741 1 544 . 1 . 1 170 170 ASN H H 1 9.017062938 0.0013012985 . 1 . . . . . 526 ASN H . 51741 1 545 . 1 . 1 170 170 ASN C C 13 173.2711084 0.6200039256 . 1 . . . . . 526 ASN C . 51741 1 546 . 1 . 1 170 170 ASN CA C 13 48.64315097 . . 1 . . . . . 526 ASN CA . 51741 1 547 . 1 . 1 170 170 ASN CB C 13 36.29815897 . . 1 . . . . . 526 ASN CB . 51741 1 548 . 1 . 1 170 170 ASN N N 15 126.6074339 0.0079276924 . 1 . . . . . 526 ASN N . 51741 1 549 . 1 . 1 172 172 GLY H H 1 8.103550196 0.002094115 . 1 . . . . . 528 GLY H . 51741 1 550 . 1 . 1 172 172 GLY C C 13 170.2155146 0 . 1 . . . . . 528 GLY C . 51741 1 551 . 1 . 1 172 172 GLY CA C 13 42.32007388 0.060091895 . 1 . . . . . 528 GLY CA . 51741 1 552 . 1 . 1 172 172 GLY N N 15 107.1370072 0.0316282624 . 1 . . . . . 528 GLY N . 51741 1 553 . 1 . 1 173 173 CYS H H 1 7.866883846 0.0018215152 . 1 . . . . . 529 CYS H . 51741 1 554 . 1 . 1 173 173 CYS C C 13 173.1225887 0.0037302439 . 1 . . . . . 529 CYS C . 51741 1 555 . 1 . 1 173 173 CYS CA C 13 57.23332368 . . 1 . . . . . 529 CYS CA . 51741 1 556 . 1 . 1 173 173 CYS CB C 13 28.31442779 0 . 1 . . . . . 529 CYS CB . 51741 1 557 . 1 . 1 173 173 CYS N N 15 123.3904389 0.0253370906 . 1 . . . . . 529 CYS N . 51741 1 558 . 1 . 1 174 174 GLY H H 1 7.63813127 0.0007004901 . 1 . . . . . 530 GLY H . 51741 1 559 . 1 . 1 174 174 GLY C C 13 170.991341 0.001278645 . 1 . . . . . 530 GLY C . 51741 1 560 . 1 . 1 174 174 GLY CA C 13 43.49134323 . . 1 . . . . . 530 GLY CA . 51741 1 561 . 1 . 1 174 174 GLY N N 15 104.0197928 0.011920442 . 1 . . . . . 530 GLY N . 51741 1 562 . 1 . 1 175 175 ASN H H 1 8.362657231 0.0009745721 . 1 . . . . . 531 ASN H . 51741 1 563 . 1 . 1 175 175 ASN C C 13 171.1287537 0.017069701 . 1 . . . . . 531 ASN C . 51741 1 564 . 1 . 1 175 175 ASN CA C 13 52.0239357 0 . 1 . . . . . 531 ASN CA . 51741 1 565 . 1 . 1 175 175 ASN CB C 13 38.19510882 0 . 1 . . . . . 531 ASN CB . 51741 1 566 . 1 . 1 175 175 ASN N N 15 121.0253036 0.0000026974 . 1 . . . . . 531 ASN N . 51741 1 567 . 1 . 1 176 176 GLN H H 1 7.88470552 0.0008869371 . 1 . . . . . 532 GLN H . 51741 1 568 . 1 . 1 176 176 GLN C C 13 171.7350467 0.0088534671 . 1 . . . . . 532 GLN C . 51741 1 569 . 1 . 1 176 176 GLN CA C 13 52.27355648 . . 1 . . . . . 532 GLN CA . 51741 1 570 . 1 . 1 176 176 GLN CB C 13 25.82667828 . . 1 . . . . . 532 GLN CB . 51741 1 571 . 1 . 1 176 176 GLN N N 15 123.1776529 0.0435001908 . 1 . . . . . 532 GLN N . 51741 1 572 . 1 . 1 177 177 ASN H H 1 8.419577089 0.001164073 . 1 . . . . . 533 ASN H . 51741 1 573 . 1 . 1 177 177 ASN C C 13 170.72072 0 . 1 . . . . . 533 ASN C . 51741 1 574 . 1 . 1 177 177 ASN CA C 13 49.45887988 0 . 1 . . . . . 533 ASN CA . 51741 1 575 . 1 . 1 177 177 ASN CB C 13 40.4882172 0 . 1 . . . . . 533 ASN CB . 51741 1 576 . 1 . 1 177 177 ASN N N 15 122.0145395 0.0000013487 . 1 . . . . . 533 ASN N . 51741 1 577 . 1 . 1 178 178 PHE H H 1 6.75184076 0.0017805852 . 1 . . . . . 534 PHE H . 51741 1 578 . 1 . 1 178 178 PHE C C 13 174.7690629 0.0015342661 . 1 . . . . . 534 PHE C . 51741 1 579 . 1 . 1 178 178 PHE CA C 13 53.76302215 . . 1 . . . . . 534 PHE CA . 51741 1 580 . 1 . 1 178 178 PHE CB C 13 36.62026444 . . 1 . . . . . 534 PHE CB . 51741 1 581 . 1 . 1 178 178 PHE N N 15 116.8036951 0.0174186154 . 1 . . . . . 534 PHE N . 51741 1 582 . 1 . 1 179 179 ALA H H 1 8.915337433 0.00076171 . 1 . . . . . 535 ALA H . 51741 1 583 . 1 . 1 179 179 ALA C C 13 174.7226617 0.005751475 . 1 . . . . . 535 ALA C . 51741 1 584 . 1 . 1 179 179 ALA CA C 13 52.96164204 . . 1 . . . . . 535 ALA CA . 51741 1 585 . 1 . 1 179 179 ALA CB C 13 17.33124838 . . 1 . . . . . 535 ALA CB . 51741 1 586 . 1 . 1 179 179 ALA N N 15 121.9371433 0.0411259747 . 1 . . . . . 535 ALA N . 51741 1 587 . 1 . 1 180 180 TRP H H 1 6.645906618 0.0014086244 . 1 . . . . . 536 TRP H . 51741 1 588 . 1 . 1 180 180 TRP C C 13 174.5247399 0.0097906554 . 1 . . . . . 536 TRP C . 51741 1 589 . 1 . 1 180 180 TRP CA C 13 53.03503214 . . 1 . . . . . 536 TRP CA . 51741 1 590 . 1 . 1 180 180 TRP CB C 13 25.50419095 . . 1 . . . . . 536 TRP CB . 51741 1 591 . 1 . 1 180 180 TRP N N 15 108.299948 0.0310738739 . 1 . . . . . 536 TRP N . 51741 1 592 . 1 . 1 181 181 ARG H H 1 7.672359534 0.0003129812 . 1 . . . . . 537 ARG H . 51741 1 593 . 1 . 1 181 181 ARG C C 13 174.3994195 0.00195813 . 1 . . . . . 537 ARG C . 51741 1 594 . 1 . 1 181 181 ARG CA C 13 54.16742059 . . 1 . . . . . 537 ARG CA . 51741 1 595 . 1 . 1 181 181 ARG CB C 13 27.49200462 . . 1 . . . . . 537 ARG CB . 51741 1 596 . 1 . 1 181 181 ARG N N 15 122.5639634 0.0119674222 . 1 . . . . . 537 ARG N . 51741 1 597 . 1 . 1 182 182 THR H H 1 8.712712773 0.0012644387 . 1 . . . . . 538 THR H . 51741 1 598 . 1 . 1 182 182 THR C C 13 171.818352 0.0097986963 . 1 . . . . . 538 THR C . 51741 1 599 . 1 . 1 182 182 THR CA C 13 59.75389513 . . 1 . . . . . 538 THR CA . 51741 1 600 . 1 . 1 182 182 THR CB C 13 66.00392806 . . 1 . . . . . 538 THR CB . 51741 1 601 . 1 . 1 182 182 THR N N 15 111.9701253 0.0079200518 . 1 . . . . . 538 THR N . 51741 1 602 . 1 . 1 183 183 GLU H H 1 7.630869113 0.0005483496 . 1 . . . . . 539 GLU H . 51741 1 603 . 1 . 1 183 183 GLU C C 13 171.86804 0.0049598642 . 1 . . . . . 539 GLU C . 51741 1 604 . 1 . 1 183 183 GLU CA C 13 51.31703461 . . 1 . . . . . 539 GLU CA . 51741 1 605 . 1 . 1 183 183 GLU CB C 13 29.76917821 . . 1 . . . . . 539 GLU CB . 51741 1 606 . 1 . 1 183 183 GLU N N 15 119.2729956 0.0104960441 . 1 . . . . . 539 GLU N . 51741 1 607 . 1 . 1 184 184 CYS H H 1 9.599413872 0.0007956 . 1 . . . . . 540 CYS H . 51741 1 608 . 1 . 1 184 184 CYS C C 13 175.5238287 0.0057396862 . 1 . . . . . 540 CYS C . 51741 1 609 . 1 . 1 184 184 CYS CA C 13 56.08772167 . . 1 . . . . . 540 CYS CA . 51741 1 610 . 1 . 1 184 184 CYS CB C 13 28.16631958 . . 1 . . . . . 540 CYS CB . 51741 1 611 . 1 . 1 184 184 CYS N N 15 126.1426287 0.006383707 . 1 . . . . . 540 CYS N . 51741 1 612 . 1 . 1 185 185 ASN H H 1 8.446856751 0.0009251849 . 1 . . . . . 541 ASN H . 51741 1 613 . 1 . 1 185 185 ASN C C 13 172.1658516 0.0112186697 . 1 . . . . . 541 ASN C . 51741 1 614 . 1 . 1 185 185 ASN CA C 13 53.2312574 . . 1 . . . . . 541 ASN CA . 51741 1 615 . 1 . 1 185 185 ASN CB C 13 35.95294108 . . 1 . . . . . 541 ASN CB . 51741 1 616 . 1 . 1 185 185 ASN N N 15 127.0394122 0.0067359537 . 1 . . . . . 541 ASN N . 51741 1 617 . 1 . 1 186 186 GLN H H 1 8.982440241 0.0015142516 . 1 . . . . . 542 GLN H . 51741 1 618 . 1 . 1 186 186 GLN C C 13 173.8935446 0.0082164216 . 1 . . . . . 542 GLN C . 51741 1 619 . 1 . 1 186 186 GLN CA C 13 54.76491263 . . 1 . . . . . 542 GLN CA . 51741 1 620 . 1 . 1 186 186 GLN CB C 13 27.52334476 . . 1 . . . . . 542 GLN CB . 51741 1 621 . 1 . 1 186 186 GLN N N 15 120.3655028 0.0107111561 . 1 . . . . . 542 GLN N . 51741 1 622 . 1 . 1 187 187 CYS H H 1 8.0118958 0.0012107878 . 1 . . . . . 543 CYS H . 51741 1 623 . 1 . 1 187 187 CYS C C 13 173.5923791 0.0052437621 . 1 . . . . . 543 CYS C . 51741 1 624 . 1 . 1 187 187 CYS CA C 13 56.38945467 . . 1 . . . . . 543 CYS CA . 51741 1 625 . 1 . 1 187 187 CYS CB C 13 29.22258585 . . 1 . . . . . 543 CYS CB . 51741 1 626 . 1 . 1 187 187 CYS N N 15 118.0391638 0.0068872318 . 1 . . . . . 543 CYS N . 51741 1 627 . 1 . 1 188 188 LYS H H 1 7.638137332 0.0006878639 . 1 . . . . . 544 LYS H . 51741 1 628 . 1 . 1 188 188 LYS C C 13 172.1382662 0.001590651 . 1 . . . . . 544 LYS C . 51741 1 629 . 1 . 1 188 188 LYS CA C 13 55.95759375 . . 1 . . . . . 544 LYS CA . 51741 1 630 . 1 . 1 188 188 LYS CB C 13 26.83488128 . . 1 . . . . . 544 LYS CB . 51741 1 631 . 1 . 1 188 188 LYS N N 15 116.9350472 0.008200798 . 1 . . . . . 544 LYS N . 51741 1 632 . 1 . 1 189 189 ALA H H 1 8.933128175 0.0011013988 . 1 . . . . . 545 ALA H . 51741 1 633 . 1 . 1 189 189 ALA C C 13 173.1800567 0 . 1 . . . . . 545 ALA C . 51741 1 634 . 1 . 1 189 189 ALA CA C 13 49.2531086 . . 1 . . . . . 545 ALA CA . 51741 1 635 . 1 . 1 189 189 ALA CB C 13 16.12295428 . . 1 . . . . . 545 ALA CB . 51741 1 636 . 1 . 1 189 189 ALA N N 15 127.4139623 0.0057615627 . 1 . . . . . 545 ALA N . 51741 1 637 . 1 . 1 191 191 LYS H H 1 7.210240242 0.000522568 . 1 . . . . . 547 LYS H . 51741 1 638 . 1 . 1 191 191 LYS C C 13 172.489498 . . 1 . . . . . 547 LYS C . 51741 1 639 . 1 . 1 191 191 LYS CA C 13 51.47385538 . . 1 . . . . . 547 LYS CA . 51741 1 640 . 1 . 1 191 191 LYS CB C 13 30.74556473 . . 1 . . . . . 547 LYS CB . 51741 1 641 . 1 . 1 191 191 LYS N N 15 123.0056294 0.0148794124 . 1 . . . . . 547 LYS N . 51741 1 642 . 1 . 1 193 193 GLU H H 1 7.849562054 0.0014240623 . 1 . . . . . 549 GLU H . 51741 1 643 . 1 . 1 193 193 GLU C C 13 175.7080605 2.753899674 . 1 . . . . . 549 GLU C . 51741 1 644 . 1 . 1 193 193 GLU CA C 13 55.28400906 . . 1 . . . . . 549 GLU CA . 51741 1 645 . 1 . 1 193 193 GLU CB C 13 28.45495121 . . 1 . . . . . 549 GLU CB . 51741 1 646 . 1 . 1 193 193 GLU N N 15 127.1673229 0.0203437881 . 1 . . . . . 549 GLU N . 51741 1 stop_ save_