data_27932 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27932 _Entry.Title ; Folded ZnF in FUS (371-526) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-29 _Entry.Accession_date 2019-05-29 _Entry.Last_release_date 2019-05-30 _Entry.Original_release_date 2019-05-30 _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 'Folded ZnF in FUS (371-526)' _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 Jianxing Song . . . . 27932 2 'Liang Zhong' Lim . . . . 27932 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27932 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 221 27932 '15N chemical shifts' 111 27932 '1H chemical shifts' 264 27932 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 2 . . 2022-04-04 2019-05-29 update BMRB 'update Polymer_type' 27932 1 . . 2020-09-28 2019-05-29 original author 'original release' 27932 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27931 'FUS (371-526) (Unfolded)' 27932 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27932 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31188823 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; A unified mechanism for LLPS of ALS/FTLD-causing FUS as well as its modulation by ATP and oligonucleic acids ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Biol.' _Citation.Journal_name_full 'PLoS biology' _Citation.Journal_volume 17 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1545-7885 _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 e3000327 _Citation.Page_last e3000327 _Citation.Year 2019 _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 Jian Kang J. . . . 27932 1 2 Liangzhong Lim L. . . . 27932 1 3 Yimei Lu Y. . . . 27932 1 4 Jianxing Song J. . . . 27932 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'C-terminal domain' 27932 1 FUS 27932 1 ZnF 27932 1 'prion-like domain' 27932 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27932 _Assembly.ID 1 _Assembly.Name 'FUS (371-526)' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'FUS (371-526)' 1 $FUS(371-526) A . yes native no no . . . 27932 1 2 Ligand 2 $entity_ZN A . no native no no . . . 27932 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FUS(371-526) _Entity.Sf_category entity _Entity.Sf_framecode FUS(371-526) _Entity.Entry_ID 27932 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FUS(371-526) _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 ; RRADFNRGGGNGRGGRGRGG PMGRGGYGGGGSGGGGRGGF PSGGGGGGGQQRAGDWKCPN PTCENMNFSWRNECNQCKAP KPDGPGGGPGGSHMGGNYGD DRRGGRGGYDRGGYRGRGGD RGGFRGGRGGGDRGGFGPGK MDSRGEHRQDRRERPYLEHH HHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Fus (371-526)' _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 164 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state unknown _Entity.Src_method . _Entity.Parent_entity_ID . _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 1 371 ARG . 27932 1 2 372 ARG . 27932 1 3 373 ALA . 27932 1 4 374 ASP . 27932 1 5 375 PHE . 27932 1 6 376 ASN . 27932 1 7 377 ARG . 27932 1 8 378 GLY . 27932 1 9 379 GLY . 27932 1 10 380 GLY . 27932 1 11 381 ASN . 27932 1 12 382 GLY . 27932 1 13 383 ARG . 27932 1 14 384 GLY . 27932 1 15 385 GLY . 27932 1 16 386 ARG . 27932 1 17 387 GLY . 27932 1 18 388 ARG . 27932 1 19 389 GLY . 27932 1 20 390 GLY . 27932 1 21 391 PRO . 27932 1 22 392 MET . 27932 1 23 393 GLY . 27932 1 24 394 ARG . 27932 1 25 395 GLY . 27932 1 26 396 GLY . 27932 1 27 397 TYR . 27932 1 28 398 GLY . 27932 1 29 399 GLY . 27932 1 30 400 GLY . 27932 1 31 401 GLY . 27932 1 32 402 SER . 27932 1 33 403 GLY . 27932 1 34 404 GLY . 27932 1 35 405 GLY . 27932 1 36 406 GLY . 27932 1 37 407 ARG . 27932 1 38 408 GLY . 27932 1 39 409 GLY . 27932 1 40 410 PHE . 27932 1 41 411 PRO . 27932 1 42 412 SER . 27932 1 43 413 GLY . 27932 1 44 414 GLY . 27932 1 45 415 GLY . 27932 1 46 416 GLY . 27932 1 47 417 GLY . 27932 1 48 418 GLY . 27932 1 49 419 GLY . 27932 1 50 420 GLN . 27932 1 51 421 GLN . 27932 1 52 422 ARG . 27932 1 53 423 ALA . 27932 1 54 424 GLY . 27932 1 55 425 ASP . 27932 1 56 426 TRP . 27932 1 57 427 LYS . 27932 1 58 428 CYS . 27932 1 59 429 PRO . 27932 1 60 430 ASN . 27932 1 61 431 PRO . 27932 1 62 432 THR . 27932 1 63 433 CYS . 27932 1 64 434 GLU . 27932 1 65 435 ASN . 27932 1 66 436 MET . 27932 1 67 437 ASN . 27932 1 68 438 PHE . 27932 1 69 439 SER . 27932 1 70 440 TRP . 27932 1 71 441 ARG . 27932 1 72 442 ASN . 27932 1 73 443 GLU . 27932 1 74 444 CYS . 27932 1 75 445 ASN . 27932 1 76 446 GLN . 27932 1 77 447 CYS . 27932 1 78 448 LYS . 27932 1 79 449 ALA . 27932 1 80 450 PRO . 27932 1 81 451 LYS . 27932 1 82 452 PRO . 27932 1 83 453 ASP . 27932 1 84 454 GLY . 27932 1 85 455 PRO . 27932 1 86 456 GLY . 27932 1 87 457 GLY . 27932 1 88 458 GLY . 27932 1 89 459 PRO . 27932 1 90 460 GLY . 27932 1 91 461 GLY . 27932 1 92 462 SER . 27932 1 93 463 HIS . 27932 1 94 464 MET . 27932 1 95 465 GLY . 27932 1 96 466 GLY . 27932 1 97 467 ASN . 27932 1 98 468 TYR . 27932 1 99 469 GLY . 27932 1 100 470 ASP . 27932 1 101 471 ASP . 27932 1 102 472 ARG . 27932 1 103 473 ARG . 27932 1 104 474 GLY . 27932 1 105 475 GLY . 27932 1 106 476 ARG . 27932 1 107 477 GLY . 27932 1 108 478 GLY . 27932 1 109 479 TYR . 27932 1 110 480 ASP . 27932 1 111 481 ARG . 27932 1 112 482 GLY . 27932 1 113 483 GLY . 27932 1 114 484 TYR . 27932 1 115 485 ARG . 27932 1 116 486 GLY . 27932 1 117 487 ARG . 27932 1 118 488 GLY . 27932 1 119 489 GLY . 27932 1 120 490 ASP . 27932 1 121 491 ARG . 27932 1 122 492 GLY . 27932 1 123 493 GLY . 27932 1 124 494 PHE . 27932 1 125 495 ARG . 27932 1 126 496 GLY . 27932 1 127 497 GLY . 27932 1 128 498 ARG . 27932 1 129 499 GLY . 27932 1 130 500 GLY . 27932 1 131 501 GLY . 27932 1 132 502 ASP . 27932 1 133 503 ARG . 27932 1 134 504 GLY . 27932 1 135 505 GLY . 27932 1 136 506 PHE . 27932 1 137 507 GLY . 27932 1 138 508 PRO . 27932 1 139 509 GLY . 27932 1 140 510 LYS . 27932 1 141 511 MET . 27932 1 142 512 ASP . 27932 1 143 513 SER . 27932 1 144 514 ARG . 27932 1 145 515 GLY . 27932 1 146 516 GLU . 27932 1 147 517 HIS . 27932 1 148 518 ARG . 27932 1 149 519 GLN . 27932 1 150 520 ASP . 27932 1 151 521 ARG . 27932 1 152 522 ARG . 27932 1 153 523 GLU . 27932 1 154 524 ARG . 27932 1 155 525 PRO . 27932 1 156 526 TYR . 27932 1 157 527 LEU . 27932 1 158 528 GLU . 27932 1 159 529 HIS . 27932 1 160 530 HIS . 27932 1 161 531 HIS . 27932 1 162 532 HIS . 27932 1 163 533 HIS . 27932 1 164 534 HIS . 27932 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 . ARG 1 1 27932 1 . ARG 2 2 27932 1 . ALA 3 3 27932 1 . ASP 4 4 27932 1 . PHE 5 5 27932 1 . ASN 6 6 27932 1 . ARG 7 7 27932 1 . GLY 8 8 27932 1 . GLY 9 9 27932 1 . GLY 10 10 27932 1 . ASN 11 11 27932 1 . GLY 12 12 27932 1 . ARG 13 13 27932 1 . GLY 14 14 27932 1 . GLY 15 15 27932 1 . ARG 16 16 27932 1 . GLY 17 17 27932 1 . ARG 18 18 27932 1 . GLY 19 19 27932 1 . GLY 20 20 27932 1 . PRO 21 21 27932 1 . MET 22 22 27932 1 . GLY 23 23 27932 1 . ARG 24 24 27932 1 . GLY 25 25 27932 1 . GLY 26 26 27932 1 . TYR 27 27 27932 1 . GLY 28 28 27932 1 . GLY 29 29 27932 1 . GLY 30 30 27932 1 . GLY 31 31 27932 1 . SER 32 32 27932 1 . GLY 33 33 27932 1 . GLY 34 34 27932 1 . GLY 35 35 27932 1 . GLY 36 36 27932 1 . ARG 37 37 27932 1 . GLY 38 38 27932 1 . GLY 39 39 27932 1 . PHE 40 40 27932 1 . PRO 41 41 27932 1 . SER 42 42 27932 1 . GLY 43 43 27932 1 . GLY 44 44 27932 1 . GLY 45 45 27932 1 . GLY 46 46 27932 1 . GLY 47 47 27932 1 . GLY 48 48 27932 1 . GLY 49 49 27932 1 . GLN 50 50 27932 1 . GLN 51 51 27932 1 . ARG 52 52 27932 1 . ALA 53 53 27932 1 . GLY 54 54 27932 1 . ASP 55 55 27932 1 . TRP 56 56 27932 1 . LYS 57 57 27932 1 . CYS 58 58 27932 1 . PRO 59 59 27932 1 . ASN 60 60 27932 1 . PRO 61 61 27932 1 . THR 62 62 27932 1 . CYS 63 63 27932 1 . GLU 64 64 27932 1 . ASN 65 65 27932 1 . MET 66 66 27932 1 . ASN 67 67 27932 1 . PHE 68 68 27932 1 . SER 69 69 27932 1 . TRP 70 70 27932 1 . ARG 71 71 27932 1 . ASN 72 72 27932 1 . GLU 73 73 27932 1 . CYS 74 74 27932 1 . ASN 75 75 27932 1 . GLN 76 76 27932 1 . CYS 77 77 27932 1 . LYS 78 78 27932 1 . ALA 79 79 27932 1 . PRO 80 80 27932 1 . LYS 81 81 27932 1 . PRO 82 82 27932 1 . ASP 83 83 27932 1 . GLY 84 84 27932 1 . PRO 85 85 27932 1 . GLY 86 86 27932 1 . GLY 87 87 27932 1 . GLY 88 88 27932 1 . PRO 89 89 27932 1 . GLY 90 90 27932 1 . GLY 91 91 27932 1 . SER 92 92 27932 1 . HIS 93 93 27932 1 . MET 94 94 27932 1 . GLY 95 95 27932 1 . GLY 96 96 27932 1 . ASN 97 97 27932 1 . TYR 98 98 27932 1 . GLY 99 99 27932 1 . ASP 100 100 27932 1 . ASP 101 101 27932 1 . ARG 102 102 27932 1 . ARG 103 103 27932 1 . GLY 104 104 27932 1 . GLY 105 105 27932 1 . ARG 106 106 27932 1 . GLY 107 107 27932 1 . GLY 108 108 27932 1 . TYR 109 109 27932 1 . ASP 110 110 27932 1 . ARG 111 111 27932 1 . GLY 112 112 27932 1 . GLY 113 113 27932 1 . TYR 114 114 27932 1 . ARG 115 115 27932 1 . GLY 116 116 27932 1 . ARG 117 117 27932 1 . GLY 118 118 27932 1 . GLY 119 119 27932 1 . ASP 120 120 27932 1 . ARG 121 121 27932 1 . GLY 122 122 27932 1 . GLY 123 123 27932 1 . PHE 124 124 27932 1 . ARG 125 125 27932 1 . GLY 126 126 27932 1 . GLY 127 127 27932 1 . ARG 128 128 27932 1 . GLY 129 129 27932 1 . GLY 130 130 27932 1 . GLY 131 131 27932 1 . ASP 132 132 27932 1 . ARG 133 133 27932 1 . GLY 134 134 27932 1 . GLY 135 135 27932 1 . PHE 136 136 27932 1 . GLY 137 137 27932 1 . PRO 138 138 27932 1 . GLY 139 139 27932 1 . LYS 140 140 27932 1 . MET 141 141 27932 1 . ASP 142 142 27932 1 . SER 143 143 27932 1 . ARG 144 144 27932 1 . GLY 145 145 27932 1 . GLU 146 146 27932 1 . HIS 147 147 27932 1 . ARG 148 148 27932 1 . GLN 149 149 27932 1 . ASP 150 150 27932 1 . ARG 151 151 27932 1 . ARG 152 152 27932 1 . GLU 153 153 27932 1 . ARG 154 154 27932 1 . PRO 155 155 27932 1 . TYR 156 156 27932 1 . LEU 157 157 27932 1 . GLU 158 158 27932 1 . HIS 159 159 27932 1 . HIS 160 160 27932 1 . HIS 161 161 27932 1 . HIS 162 162 27932 1 . HIS 163 163 27932 1 . HIS 164 164 27932 1 stop_ save_ save_entity_ZN _Entity.Sf_category entity _Entity.Sf_framecode entity_ZN _Entity.Entry_ID 27932 _Entity.ID 2 _Entity.BMRB_code ZN _Entity.Name 'ZINC ION' _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 27932 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 27932 2 ZN 'Three letter code' 27932 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 27932 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27932 _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 $FUS(371-526) . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . 27932 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27932 _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 $FUS(371-526) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 27932 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 27932 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 . _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 27932 ZN PTFCDOFLOPIGGS-UHFFFAOYSA-N InChIKey InChI 1.03 27932 ZN [Zn++] SMILES CACTVS 3.341 27932 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 27932 ZN [Zn+2] SMILES ACDLabs 10.04 27932 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 27932 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 27932 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 27932 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 27932 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 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 27932 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27932 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FUS(371-526) in ZnCl2' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FUS(371-526) '[U-99% 13C; U-99% 15N]' . . 1 $FUS(371-526) . . 500 . . uM . . . . 27932 1 2 ZnCl2 'natural abundance' . . 2 $entity_ZN . . 4 . . mM . . . . 27932 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 27932 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 27932 1 pH 6 . pH 27932 1 pressure 1 . atm 27932 1 temperature 295 . K 27932 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27932 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27932 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 27932 1 'data analysis' . 27932 1 processing . 27932 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27932 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27932 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker AMX . 800 . . . 27932 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27932 _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 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27932 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27932 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27932 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27932 1 5 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 27932 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27932 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 27932 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27932 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27932 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27932 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N TOCSY' . . . 27932 1 2 '3D 1H-15N NOESY' . . . 27932 1 3 '3D HNCACB' . . . 27932 1 4 '3D CBCA(CO)NH' . . . 27932 1 5 '3D H(CCO)NH' . . . 27932 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 ARG HA H 1 4.2275 . . . . . . . . 371 ARG HA . 27932 1 2 . 1 . 1 1 1 ARG CA C 13 55.36 . . . . . . . . 371 ARG CA . 27932 1 3 . 1 . 1 1 1 ARG CB C 13 32.14 . . . . . . . . 371 ARG CB . 27932 1 4 . 1 . 1 2 2 ARG H H 1 8.748 . . . . . . . . 372 ARG H . 27932 1 5 . 1 . 1 2 2 ARG HA H 1 4.2275 . . . . . . . . 372 ARG HA . 27932 1 6 . 1 . 1 2 2 ARG CA C 13 56.275 . . . . . . . . 372 ARG CA . 27932 1 7 . 1 . 1 2 2 ARG CB C 13 31.084 . . . . . . . . 372 ARG CB . 27932 1 8 . 1 . 1 2 2 ARG N N 15 124.741 . . . . . . . . 372 ARG N . 27932 1 9 . 1 . 1 3 3 ALA H H 1 8.355 . . . . . . . . 373 ALA H . 27932 1 10 . 1 . 1 3 3 ALA HA H 1 4.3668 . . . . . . . . 373 ALA HA . 27932 1 11 . 1 . 1 3 3 ALA CA C 13 53.034 . . . . . . . . 373 ALA CA . 27932 1 12 . 1 . 1 3 3 ALA CB C 13 19.468 . . . . . . . . 373 ALA CB . 27932 1 13 . 1 . 1 3 3 ALA N N 15 125.681 . . . . . . . . 373 ALA N . 27932 1 14 . 1 . 1 4 4 ASP H H 1 8.166 . . . . . . . . 374 ASP H . 27932 1 15 . 1 . 1 4 4 ASP HA H 1 4.5244 . . . . . . . . 374 ASP HA . 27932 1 16 . 1 . 1 4 4 ASP CA C 13 54.416 . . . . . . . . 374 ASP CA . 27932 1 17 . 1 . 1 4 4 ASP CB C 13 41.337 . . . . . . . . 374 ASP CB . 27932 1 18 . 1 . 1 4 4 ASP N N 15 119.113 . . . . . . . . 374 ASP N . 27932 1 19 . 1 . 1 5 5 PHE H H 1 8.029 . . . . . . . . 375 PHE H . 27932 1 20 . 1 . 1 5 5 PHE HA H 1 4.5213 . . . . . . . . 375 PHE HA . 27932 1 21 . 1 . 1 5 5 PHE CA C 13 58.274 . . . . . . . . 375 PHE CA . 27932 1 22 . 1 . 1 5 5 PHE CB C 13 39.485 . . . . . . . . 375 PHE CB . 27932 1 23 . 1 . 1 5 5 PHE N N 15 120.493 . . . . . . . . 375 PHE N . 27932 1 24 . 1 . 1 6 6 ASN H H 1 8.339 . . . . . . . . 376 ASN H . 27932 1 25 . 1 . 1 6 6 ASN HA H 1 4.5903 . . . . . . . . 376 ASN HA . 27932 1 26 . 1 . 1 6 6 ASN CA C 13 53.482 . . . . . . . . 376 ASN CA . 27932 1 27 . 1 . 1 6 6 ASN CB C 13 39.067 . . . . . . . . 376 ASN CB . 27932 1 28 . 1 . 1 6 6 ASN N N 15 120.296 . . . . . . . . 376 ASN N . 27932 1 29 . 1 . 1 7 7 ARG H H 1 8.197 . . . . . . . . 377 ARG H . 27932 1 30 . 1 . 1 7 7 ARG HA H 1 4.2641 . . . . . . . . 377 ARG HA . 27932 1 31 . 1 . 1 7 7 ARG CA C 13 56.703 . . . . . . . . 377 ARG CA . 27932 1 32 . 1 . 1 7 7 ARG CB C 13 30.724 . . . . . . . . 377 ARG CB . 27932 1 33 . 1 . 1 7 7 ARG N N 15 121.705 . . . . . . . . 377 ARG N . 27932 1 34 . 1 . 1 8 8 GLY H H 1 8.341 . . . . . . . . 378 GLY H . 27932 1 35 . 1 . 1 8 8 GLY HA2 H 1 3.9054 . . . . . . . . 378 GLY HA . 27932 1 36 . 1 . 1 8 8 GLY HA3 H 1 3.9054 . . . . . . . . 378 GLY HA . 27932 1 37 . 1 . 1 8 8 GLY CA C 13 45.672 . . . . . . . . 378 GLY CA . 27932 1 38 . 1 . 1 8 8 GLY N N 15 109.263 . . . . . . . . 378 GLY N . 27932 1 39 . 1 . 1 10 10 GLY H H 1 8.318 . . . . . . . . 380 GLY H . 27932 1 40 . 1 . 1 10 10 GLY HA2 H 1 3.9417 . . . . . . . . 380 GLY HA . 27932 1 41 . 1 . 1 10 10 GLY HA3 H 1 3.9417 . . . . . . . . 380 GLY HA . 27932 1 42 . 1 . 1 10 10 GLY CA C 13 45.476 . . . . . . . . 380 GLY CA . 27932 1 43 . 1 . 1 10 10 GLY N N 15 108.818 . . . . . . . . 380 GLY N . 27932 1 44 . 1 . 1 11 11 ASN H H 1 8.282 . . . . . . . . 381 ASN H . 27932 1 45 . 1 . 1 11 11 ASN HA H 1 4.6791 . . . . . . . . 381 ASN HA . 27932 1 46 . 1 . 1 11 11 ASN CA C 13 53.33 . . . . . . . . 381 ASN CA . 27932 1 47 . 1 . 1 11 11 ASN CB C 13 39.023 . . . . . . . . 381 ASN CB . 27932 1 48 . 1 . 1 11 11 ASN N N 15 118.661 . . . . . . . . 381 ASN N . 27932 1 49 . 1 . 1 12 12 GLY H H 1 8.424 . . . . . . . . 382 GLY H . 27932 1 50 . 1 . 1 12 12 GLY HA2 H 1 3.9079 . . . . . . . . 382 GLY HA . 27932 1 51 . 1 . 1 12 12 GLY HA3 H 1 3.9079 . . . . . . . . 382 GLY HA . 27932 1 52 . 1 . 1 12 12 GLY CA C 13 45.772 . . . . . . . . 382 GLY CA . 27932 1 53 . 1 . 1 12 12 GLY N N 15 109.172 . . . . . . . . 382 GLY N . 27932 1 54 . 1 . 1 13 13 ARG H H 1 8.191 . . . . . . . . 383 ARG H . 27932 1 55 . 1 . 1 13 13 ARG HA H 1 4.2019 . . . . . . . . 383 ARG HA . 27932 1 56 . 1 . 1 13 13 ARG CA C 13 56.447 . . . . . . . . 383 ARG CA . 27932 1 57 . 1 . 1 13 13 ARG CB C 13 30.677 . . . . . . . . 383 ARG CB . 27932 1 58 . 1 . 1 13 13 ARG N N 15 120.362 . . . . . . . . 383 ARG N . 27932 1 59 . 1 . 1 14 14 GLY H H 1 8.371 . . . . . . . . 384 GLY H . 27932 1 60 . 1 . 1 14 14 GLY HA2 H 1 3.8853 . . . . . . . . 384 GLY HA . 27932 1 61 . 1 . 1 14 14 GLY HA3 H 1 3.8853 . . . . . . . . 384 GLY HA . 27932 1 62 . 1 . 1 14 14 GLY CA C 13 45.63 . . . . . . . . 384 GLY CA . 27932 1 63 . 1 . 1 14 14 GLY N N 15 109.329 . . . . . . . . 384 GLY N . 27932 1 64 . 1 . 1 16 16 ARG H H 1 8.346 . . . . . . . . 386 ARG H . 27932 1 65 . 1 . 1 16 16 ARG HA H 1 4.2977 . . . . . . . . 386 ARG HA . 27932 1 66 . 1 . 1 16 16 ARG CA C 13 56.3645 . . . . . . . . 386 ARG CA . 27932 1 67 . 1 . 1 16 16 ARG CB C 13 30.6379 . . . . . . . . 386 ARG CB . 27932 1 68 . 1 . 1 16 16 ARG N N 15 121.9234 . . . . . . . . 386 ARG N . 27932 1 69 . 1 . 1 18 18 ARG H H 1 8.54 . . . . . . . . 388 ARG H . 27932 1 70 . 1 . 1 18 18 ARG CA C 13 56.547 . . . . . . . . 388 ARG CA . 27932 1 71 . 1 . 1 18 18 ARG CB C 13 31.019 . . . . . . . . 388 ARG CB . 27932 1 72 . 1 . 1 18 18 ARG N N 15 124.369 . . . . . . . . 388 ARG N . 27932 1 73 . 1 . 1 21 21 PRO CA C 13 62.914 . . . . . . . . 391 PRO CA . 27932 1 74 . 1 . 1 21 21 PRO CB C 13 32.264 . . . . . . . . 391 PRO CB . 27932 1 75 . 1 . 1 22 22 MET H H 1 8.685 . . . . . . . . 392 MET H . 27932 1 76 . 1 . 1 22 22 MET HA H 1 4.375 . . . . . . . . 392 MET HA . 27932 1 77 . 1 . 1 22 22 MET CA C 13 56.127 . . . . . . . . 392 MET CA . 27932 1 78 . 1 . 1 22 22 MET CB C 13 32.828 . . . . . . . . 392 MET CB . 27932 1 79 . 1 . 1 22 22 MET N N 15 121.079 . . . . . . . . 392 MET N . 27932 1 80 . 1 . 1 23 23 GLY H H 1 8.259 . . . . . . . . 393 GLY H . 27932 1 81 . 1 . 1 23 23 GLY HA2 H 1 3.9355 . . . . . . . . 393 GLY HA . 27932 1 82 . 1 . 1 23 23 GLY HA3 H 1 3.9355 . . . . . . . . 393 GLY HA . 27932 1 83 . 1 . 1 23 23 GLY CA C 13 45.544 . . . . . . . . 393 GLY CA . 27932 1 84 . 1 . 1 23 23 GLY N N 15 109.72 . . . . . . . . 393 GLY N . 27932 1 85 . 1 . 1 24 24 ARG H H 1 8.244 . . . . . . . . 394 ARG H . 27932 1 86 . 1 . 1 24 24 ARG HA H 1 4.2383 . . . . . . . . 394 ARG HA . 27932 1 87 . 1 . 1 24 24 ARG CA C 13 56.626 . . . . . . . . 394 ARG CA . 27932 1 88 . 1 . 1 24 24 ARG CB C 13 30.181 . . . . . . . . 394 ARG CB . 27932 1 89 . 1 . 1 24 24 ARG N N 15 120.798 . . . . . . . . 394 ARG N . 27932 1 90 . 1 . 1 27 27 TYR CA C 13 58.578 . . . . . . . . 397 TYR CA . 27932 1 91 . 1 . 1 27 27 TYR CB C 13 38.822 . . . . . . . . 397 TYR CB . 27932 1 92 . 1 . 1 28 28 GLY H H 1 8.276 . . . . . . . . 398 GLY H . 27932 1 93 . 1 . 1 28 28 GLY HA2 H 1 3.8703 . . . . . . . . 398 GLY HA . 27932 1 94 . 1 . 1 28 28 GLY HA3 H 1 3.8703 . . . . . . . . 398 GLY HA . 27932 1 95 . 1 . 1 28 28 GLY CA C 13 45.573 . . . . . . . . 398 GLY CA . 27932 1 96 . 1 . 1 28 28 GLY N N 15 110.131 . . . . . . . . 398 GLY N . 27932 1 97 . 1 . 1 31 31 GLY CA C 13 45.369 . . . . . . . . 401 GLY CA . 27932 1 98 . 1 . 1 32 32 SER H H 1 8.314 . . . . . . . . 402 SER H . 27932 1 99 . 1 . 1 32 32 SER HA H 1 4.4318 . . . . . . . . 402 SER HA . 27932 1 100 . 1 . 1 32 32 SER CA C 13 58.802 . . . . . . . . 402 SER CA . 27932 1 101 . 1 . 1 32 32 SER CB C 13 64.176 . . . . . . . . 402 SER CB . 27932 1 102 . 1 . 1 32 32 SER N N 15 115.725 . . . . . . . . 402 SER N . 27932 1 103 . 1 . 1 33 33 GLY H H 1 8.433 . . . . . . . . 403 GLY H . 27932 1 104 . 1 . 1 33 33 GLY HA2 H 1 3.9938 . . . . . . . . 403 GLY HA . 27932 1 105 . 1 . 1 33 33 GLY HA3 H 1 3.9938 . . . . . . . . 403 GLY HA . 27932 1 106 . 1 . 1 33 33 GLY CA C 13 45.615 . . . . . . . . 403 GLY CA . 27932 1 107 . 1 . 1 33 33 GLY N N 15 110.906 . . . . . . . . 403 GLY N . 27932 1 108 . 1 . 1 37 37 ARG H H 1 8.394 . . . . . . . . 407 ARG H . 27932 1 109 . 1 . 1 37 37 ARG HA H 1 4.2935 . . . . . . . . 407 ARG HA . 27932 1 110 . 1 . 1 37 37 ARG CA C 13 56.475 . . . . . . . . 407 ARG CA . 27932 1 111 . 1 . 1 37 37 ARG CB C 13 33.081 . . . . . . . . 407 ARG CB . 27932 1 112 . 1 . 1 37 37 ARG N N 15 121.306 . . . . . . . . 407 ARG N . 27932 1 113 . 1 . 1 41 41 PRO CA C 13 63.616 . . . . . . . . 411 PRO CA . 27932 1 114 . 1 . 1 41 41 PRO CB C 13 32.091 . . . . . . . . 411 PRO CB . 27932 1 115 . 1 . 1 42 42 SER H H 1 8.388 . . . . . . . . 412 SER H . 27932 1 116 . 1 . 1 42 42 SER HA H 1 4.4388 . . . . . . . . 412 SER HA . 27932 1 117 . 1 . 1 42 42 SER CA C 13 58.82 . . . . . . . . 412 SER CA . 27932 1 118 . 1 . 1 42 42 SER CB C 13 64.165 . . . . . . . . 412 SER CB . 27932 1 119 . 1 . 1 42 42 SER N N 15 116.28 . . . . . . . . 412 SER N . 27932 1 120 . 1 . 1 43 43 GLY H H 1 8.473 . . . . . . . . 413 GLY H . 27932 1 121 . 1 . 1 43 43 GLY HA2 H 1 3.9655 . . . . . . . . 413 GLY HA . 27932 1 122 . 1 . 1 43 43 GLY HA3 H 1 3.9655 . . . . . . . . 413 GLY HA . 27932 1 123 . 1 . 1 43 43 GLY CA C 13 45.583 . . . . . . . . 413 GLY CA . 27932 1 124 . 1 . 1 43 43 GLY N N 15 110.869 . . . . . . . . 413 GLY N . 27932 1 125 . 1 . 1 44 44 GLY HA2 H 1 3.8856 . . . . . . . . 414 GLY HA . 27932 1 126 . 1 . 1 44 44 GLY HA3 H 1 3.8856 . . . . . . . . 414 GLY HA . 27932 1 127 . 1 . 1 45 45 GLY H H 1 8.105 . . . . . . . . 415 GLY H . 27932 1 128 . 1 . 1 45 45 GLY HA2 H 1 3.8226 . . . . . . . . 415 GLY HA . 27932 1 129 . 1 . 1 45 45 GLY HA3 H 1 3.8226 . . . . . . . . 415 GLY HA . 27932 1 130 . 1 . 1 45 45 GLY CA C 13 41.199 . . . . . . . . 415 GLY CA . 27932 1 131 . 1 . 1 45 45 GLY N N 15 108.303 . . . . . . . . 415 GLY N . 27932 1 132 . 1 . 1 49 49 GLY CA C 13 44.794 . . . . . . . . 419 GLY CA . 27932 1 133 . 1 . 1 50 50 GLN H H 1 8.435 . . . . . . . . 420 GLN H . 27932 1 134 . 1 . 1 50 50 GLN HA H 1 4.2298 . . . . . . . . 420 GLN HA . 27932 1 135 . 1 . 1 50 50 GLN CA C 13 56.77 . . . . . . . . 420 GLN CA . 27932 1 136 . 1 . 1 50 50 GLN CB C 13 28.58 . . . . . . . . 420 GLN CB . 27932 1 137 . 1 . 1 50 50 GLN N N 15 125.536 . . . . . . . . 420 GLN N . 27932 1 138 . 1 . 1 51 51 GLN H H 1 8.75 . . . . . . . . 421 GLN H . 27932 1 139 . 1 . 1 51 51 GLN HA H 1 4.246 . . . . . . . . 421 GLN HA . 27932 1 140 . 1 . 1 51 51 GLN CA C 13 56.674 . . . . . . . . 421 GLN CA . 27932 1 141 . 1 . 1 51 51 GLN CB C 13 28.705 . . . . . . . . 421 GLN CB . 27932 1 142 . 1 . 1 51 51 GLN N N 15 118.126 . . . . . . . . 421 GLN N . 27932 1 143 . 1 . 1 52 52 ARG H H 1 7.635 . . . . . . . . 422 ARG H . 27932 1 144 . 1 . 1 52 52 ARG HA H 1 4.206 . . . . . . . . 422 ARG HA . 27932 1 145 . 1 . 1 52 52 ARG CA C 13 56.598 . . . . . . . . 422 ARG CA . 27932 1 146 . 1 . 1 52 52 ARG CB C 13 31.028 . . . . . . . . 422 ARG CB . 27932 1 147 . 1 . 1 52 52 ARG N N 15 109.206 . . . . . . . . 422 ARG N . 27932 1 148 . 1 . 1 53 53 ALA H H 1 7.433 . . . . . . . . 423 ALA H . 27932 1 149 . 1 . 1 53 53 ALA HA H 1 4.319 . . . . . . . . 423 ALA HA . 27932 1 150 . 1 . 1 53 53 ALA CA C 13 52.865 . . . . . . . . 423 ALA CA . 27932 1 151 . 1 . 1 53 53 ALA CB C 13 19.324 . . . . . . . . 423 ALA CB . 27932 1 152 . 1 . 1 53 53 ALA N N 15 129.133 . . . . . . . . 423 ALA N . 27932 1 153 . 1 . 1 54 54 GLY H H 1 8.514 . . . . . . . . 424 GLY H . 27932 1 154 . 1 . 1 54 54 GLY HA2 H 1 3.983 . . . . . . . . 424 GLY HA . 27932 1 155 . 1 . 1 54 54 GLY HA3 H 1 3.983 . . . . . . . . 424 GLY HA . 27932 1 156 . 1 . 1 54 54 GLY CA C 13 45.559 . . . . . . . . 424 GLY CA . 27932 1 157 . 1 . 1 54 54 GLY N N 15 139.866 . . . . . . . . 424 GLY N . 27932 1 158 . 1 . 1 55 55 ASP H H 1 7.951 . . . . . . . . 425 ASP H . 27932 1 159 . 1 . 1 55 55 ASP HA H 1 4.774 . . . . . . . . 425 ASP HA . 27932 1 160 . 1 . 1 55 55 ASP CA C 13 55.3872 . . . . . . . . 425 ASP CA . 27932 1 161 . 1 . 1 55 55 ASP CB C 13 41.1587 . . . . . . . . 425 ASP CB . 27932 1 162 . 1 . 1 55 55 ASP N N 15 122.242 . . . . . . . . 425 ASP N . 27932 1 163 . 1 . 1 56 56 TRP H H 1 8.771 . . . . . . . . 426 TRP H . 27932 1 164 . 1 . 1 56 56 TRP HA H 1 5.004 . . . . . . . . 426 TRP HA . 27932 1 165 . 1 . 1 56 56 TRP CA C 13 53.6042 . . . . . . . . 426 TRP CA . 27932 1 166 . 1 . 1 56 56 TRP CB C 13 31.1414 . . . . . . . . 426 TRP CB . 27932 1 167 . 1 . 1 56 56 TRP N N 15 118.406 . . . . . . . . 426 TRP N . 27932 1 168 . 1 . 1 57 57 LYS H H 1 8.696 . . . . . . . . 427 LYS H . 27932 1 169 . 1 . 1 57 57 LYS HA H 1 4.341 . . . . . . . . 427 LYS HA . 27932 1 170 . 1 . 1 57 57 LYS CA C 13 55.4834 . . . . . . . . 427 LYS CA . 27932 1 171 . 1 . 1 57 57 LYS CB C 13 33.7975 . . . . . . . . 427 LYS CB . 27932 1 172 . 1 . 1 57 57 LYS N N 15 125.45 . . . . . . . . 427 LYS N . 27932 1 173 . 1 . 1 58 58 CYS H H 1 8.662 . . . . . . . . 428 CYS H . 27932 1 174 . 1 . 1 58 58 CYS HA H 1 4.608 . . . . . . . . 428 CYS HA . 27932 1 175 . 1 . 1 58 58 CYS CA C 13 57.7985 . . . . . . . . 428 CYS CA . 27932 1 176 . 1 . 1 58 58 CYS CB C 13 31.8604 . . . . . . . . 428 CYS CB . 27932 1 177 . 1 . 1 58 58 CYS N N 15 106.535 . . . . . . . . 428 CYS N . 27932 1 178 . 1 . 1 59 59 PRO CA C 13 63.3912 . . . . . . . . 429 PRO CA . 27932 1 179 . 1 . 1 59 59 PRO CB C 13 32.2283 . . . . . . . . 429 PRO CB . 27932 1 180 . 1 . 1 60 60 ASN H H 1 9.187 . . . . . . . . 430 ASN H . 27932 1 181 . 1 . 1 60 60 ASN HA H 1 4.799 . . . . . . . . 430 ASN HA . 27932 1 182 . 1 . 1 60 60 ASN CA C 13 51.125 . . . . . . . . 430 ASN CA . 27932 1 183 . 1 . 1 60 60 ASN CB C 13 39.1695 . . . . . . . . 430 ASN CB . 27932 1 184 . 1 . 1 60 60 ASN N N 15 126.714 . . . . . . . . 430 ASN N . 27932 1 185 . 1 . 1 61 61 PRO CA C 13 64.6604 . . . . . . . . 431 PRO CA . 27932 1 186 . 1 . 1 61 61 PRO CB C 13 32.5597 . . . . . . . . 431 PRO CB . 27932 1 187 . 1 . 1 62 62 THR H H 1 8.047 . . . . . . . . 432 THR H . 27932 1 188 . 1 . 1 62 62 THR HA H 1 3.924 . . . . . . . . 432 THR HA . 27932 1 189 . 1 . 1 62 62 THR CA C 13 61.7063 . . . . . . . . 432 THR CA . 27932 1 190 . 1 . 1 62 62 THR CB C 13 68.7725 . . . . . . . . 432 THR CB . 27932 1 191 . 1 . 1 62 62 THR N N 15 113.278 . . . . . . . . 432 THR N . 27932 1 192 . 1 . 1 63 63 CYS H H 1 8.067 . . . . . . . . 433 CYS H . 27932 1 193 . 1 . 1 63 63 CYS HA H 1 4.318 . . . . . . . . 433 CYS HA . 27932 1 194 . 1 . 1 63 63 CYS CA C 13 60.2874 . . . . . . . . 433 CYS CA . 27932 1 195 . 1 . 1 63 63 CYS CB C 13 32.5097 . . . . . . . . 433 CYS CB . 27932 1 196 . 1 . 1 63 63 CYS N N 15 125.849 . . . . . . . . 433 CYS N . 27932 1 197 . 1 . 1 64 64 GLU H H 1 7.579 . . . . . . . . 434 GLU H . 27932 1 198 . 1 . 1 64 64 GLU HA H 1 4.369 . . . . . . . . 434 GLU HA . 27932 1 199 . 1 . 1 64 64 GLU CA C 13 57.9026 . . . . . . . . 434 GLU CA . 27932 1 200 . 1 . 1 64 64 GLU CB C 13 28.1155 . . . . . . . . 434 GLU CB . 27932 1 201 . 1 . 1 64 64 GLU N N 15 111.183 . . . . . . . . 434 GLU N . 27932 1 202 . 1 . 1 65 65 ASN H H 1 8.352 . . . . . . . . 435 ASN H . 27932 1 203 . 1 . 1 65 65 ASN HA H 1 4.582 . . . . . . . . 435 ASN HA . 27932 1 204 . 1 . 1 65 65 ASN CA C 13 54.8555 . . . . . . . . 435 ASN CA . 27932 1 205 . 1 . 1 65 65 ASN CB C 13 41.0544 . . . . . . . . 435 ASN CB . 27932 1 206 . 1 . 1 65 65 ASN N N 15 119.82 . . . . . . . . 435 ASN N . 27932 1 207 . 1 . 1 66 66 MET H H 1 7.888 . . . . . . . . 436 MET H . 27932 1 208 . 1 . 1 66 66 MET HA H 1 4.655 . . . . . . . . 436 MET HA . 27932 1 209 . 1 . 1 66 66 MET CA C 13 53.0391 . . . . . . . . 436 MET CA . 27932 1 210 . 1 . 1 66 66 MET CB C 13 30.3657 . . . . . . . . 436 MET CB . 27932 1 211 . 1 . 1 66 66 MET N N 15 121.725 . . . . . . . . 436 MET N . 27932 1 212 . 1 . 1 67 67 ASN H H 1 8.954 . . . . . . . . 437 ASN H . 27932 1 213 . 1 . 1 67 67 ASN HA H 1 4.725 . . . . . . . . 437 ASN HA . 27932 1 214 . 1 . 1 67 67 ASN CA C 13 52.1937 . . . . . . . . 437 ASN CA . 27932 1 215 . 1 . 1 67 67 ASN CB C 13 43.5031 . . . . . . . . 437 ASN CB . 27932 1 216 . 1 . 1 67 67 ASN N N 15 119.358 . . . . . . . . 437 ASN N . 27932 1 217 . 1 . 1 68 68 PHE H H 1 6.821 . . . . . . . . 438 PHE H . 27932 1 218 . 1 . 1 68 68 PHE HA H 1 4.475 . . . . . . . . 438 PHE HA . 27932 1 219 . 1 . 1 68 68 PHE CA C 13 56.4962 . . . . . . . . 438 PHE CA . 27932 1 220 . 1 . 1 68 68 PHE CB C 13 38.9951 . . . . . . . . 438 PHE CB . 27932 1 221 . 1 . 1 68 68 PHE N N 15 116.817 . . . . . . . . 438 PHE N . 27932 1 222 . 1 . 1 69 69 SER H H 1 9.169 . . . . . . . . 439 SER H . 27932 1 223 . 1 . 1 69 69 SER HA H 1 4.477 . . . . . . . . 439 SER HA . 27932 1 224 . 1 . 1 69 69 SER CA C 13 61.545 . . . . . . . . 439 SER CA . 27932 1 225 . 1 . 1 69 69 SER CB C 13 62.9107 . . . . . . . . 439 SER CB . 27932 1 226 . 1 . 1 69 69 SER N N 15 116.299 . . . . . . . . 439 SER N . 27932 1 227 . 1 . 1 70 70 TRP H H 1 6.74 . . . . . . . . 440 TRP H . 27932 1 228 . 1 . 1 70 70 TRP HA H 1 4.626 . . . . . . . . 440 TRP HA . 27932 1 229 . 1 . 1 70 70 TRP CA C 13 55.8394 . . . . . . . . 440 TRP CA . 27932 1 230 . 1 . 1 70 70 TRP CB C 13 28.4171 . . . . . . . . 440 TRP CB . 27932 1 231 . 1 . 1 70 70 TRP N N 15 114.67 . . . . . . . . 440 TRP N . 27932 1 232 . 1 . 1 71 71 ARG H H 1 7.8057 . . . . . . . . 441 ARG H . 27932 1 233 . 1 . 1 71 71 ARG CA C 13 56.4611 . . . . . . . . 441 ARG CA . 27932 1 234 . 1 . 1 71 71 ARG CB C 13 30.6219 . . . . . . . . 441 ARG CB . 27932 1 235 . 1 . 1 71 71 ARG N N 15 122.6697 . . . . . . . . 441 ARG N . 27932 1 236 . 1 . 1 72 72 ASN H H 1 8.491 . . . . . . . . 442 ASN H . 27932 1 237 . 1 . 1 72 72 ASN HA H 1 4.566 . . . . . . . . 442 ASN HA . 27932 1 238 . 1 . 1 72 72 ASN CA C 13 53.6951 . . . . . . . . 442 ASN CA . 27932 1 239 . 1 . 1 72 72 ASN CB C 13 39.3462 . . . . . . . . 442 ASN CB . 27932 1 240 . 1 . 1 72 72 ASN N N 15 118.573 . . . . . . . . 442 ASN N . 27932 1 241 . 1 . 1 73 73 GLU H H 1 7.69 . . . . . . . . 443 GLU H . 27932 1 242 . 1 . 1 73 73 GLU HA H 1 5.159 . . . . . . . . 443 GLU HA . 27932 1 243 . 1 . 1 73 73 GLU CA C 13 54.0364 . . . . . . . . 443 GLU CA . 27932 1 244 . 1 . 1 73 73 GLU CB C 13 32.5316 . . . . . . . . 443 GLU CB . 27932 1 245 . 1 . 1 73 73 GLU N N 15 117.652 . . . . . . . . 443 GLU N . 27932 1 246 . 1 . 1 74 74 CYS H H 1 9.669 . . . . . . . . 444 CYS H . 27932 1 247 . 1 . 1 74 74 CYS HA H 1 3.98 . . . . . . . . 444 CYS HA . 27932 1 248 . 1 . 1 74 74 CYS CA C 13 58.7291 . . . . . . . . 444 CYS CA . 27932 1 249 . 1 . 1 74 74 CYS CB C 13 30.9983 . . . . . . . . 444 CYS CB . 27932 1 250 . 1 . 1 74 74 CYS N N 15 126.242 . . . . . . . . 444 CYS N . 27932 1 251 . 1 . 1 75 75 ASN H H 1 8.54 . . . . . . . . 445 ASN H . 27932 1 252 . 1 . 1 75 75 ASN HA H 1 4.426 . . . . . . . . 445 ASN HA . 27932 1 253 . 1 . 1 75 75 ASN CA C 13 55.9619 . . . . . . . . 445 ASN CA . 27932 1 254 . 1 . 1 75 75 ASN CB C 13 38.8002 . . . . . . . . 445 ASN CB . 27932 1 255 . 1 . 1 75 75 ASN N N 15 127.336 . . . . . . . . 445 ASN N . 27932 1 256 . 1 . 1 76 76 GLN H H 1 9.128 . . . . . . . . 446 GLN H . 27932 1 257 . 1 . 1 76 76 GLN HA H 1 4.407 . . . . . . . . 446 GLN HA . 27932 1 258 . 1 . 1 76 76 GLN CA C 13 57.4498 . . . . . . . . 446 GLN CA . 27932 1 259 . 1 . 1 76 76 GLN CB C 13 30.4068 . . . . . . . . 446 GLN CB . 27932 1 260 . 1 . 1 76 76 GLN N N 15 120.493 . . . . . . . . 446 GLN N . 27932 1 261 . 1 . 1 77 77 CYS H H 1 8.127 . . . . . . . . 447 CYS H . 27932 1 262 . 1 . 1 77 77 CYS HA H 1 4.935 . . . . . . . . 447 CYS HA . 27932 1 263 . 1 . 1 77 77 CYS CA C 13 59.1254 . . . . . . . . 447 CYS CA . 27932 1 264 . 1 . 1 77 77 CYS CB C 13 31.9947 . . . . . . . . 447 CYS CB . 27932 1 265 . 1 . 1 77 77 CYS N N 15 118.381 . . . . . . . . 447 CYS N . 27932 1 266 . 1 . 1 78 78 LYS H H 1 7.671 . . . . . . . . 448 LYS H . 27932 1 267 . 1 . 1 78 78 LYS HA H 1 4.096 . . . . . . . . 448 LYS HA . 27932 1 268 . 1 . 1 78 78 LYS CA C 13 58.6983 . . . . . . . . 448 LYS CA . 27932 1 269 . 1 . 1 78 78 LYS CB C 13 29.7498 . . . . . . . . 448 LYS CB . 27932 1 270 . 1 . 1 78 78 LYS N N 15 116.908 . . . . . . . . 448 LYS N . 27932 1 271 . 1 . 1 79 79 ALA H H 1 9.011 . . . . . . . . 449 ALA H . 27932 1 272 . 1 . 1 79 79 ALA HA H 1 4.474 . . . . . . . . 449 ALA HA . 27932 1 273 . 1 . 1 79 79 ALA CA C 13 52.0621 . . . . . . . . 449 ALA CA . 27932 1 274 . 1 . 1 79 79 ALA CB C 13 18.8205 . . . . . . . . 449 ALA CB . 27932 1 275 . 1 . 1 79 79 ALA N N 15 127.647 . . . . . . . . 449 ALA N . 27932 1 276 . 1 . 1 80 80 PRO CA C 13 62.3116 . . . . . . . . 450 PRO CA . 27932 1 277 . 1 . 1 80 80 PRO CB C 13 32.1829 . . . . . . . . 450 PRO CB . 27932 1 278 . 1 . 1 81 81 LYS H H 1 7.232 . . . . . . . . 451 LYS H . 27932 1 279 . 1 . 1 81 81 LYS HA H 1 4.543 . . . . . . . . 451 LYS HA . 27932 1 280 . 1 . 1 81 81 LYS CA C 13 54.219 . . . . . . . . 451 LYS CA . 27932 1 281 . 1 . 1 81 81 LYS CB C 13 33.4555 . . . . . . . . 451 LYS CB . 27932 1 282 . 1 . 1 81 81 LYS N N 15 123.02 . . . . . . . . 451 LYS N . 27932 1 283 . 1 . 1 82 82 PRO CA C 13 63.2039 . . . . . . . . 452 PRO CA . 27932 1 284 . 1 . 1 82 82 PRO CB C 13 32.1803 . . . . . . . . 452 PRO CB . 27932 1 285 . 1 . 1 83 83 ASP H H 1 8.219 . . . . . . . . 453 ASP H . 27932 1 286 . 1 . 1 83 83 ASP HA H 1 4.584 . . . . . . . . 453 ASP HA . 27932 1 287 . 1 . 1 83 83 ASP CA C 13 54.2314 . . . . . . . . 453 ASP CA . 27932 1 288 . 1 . 1 83 83 ASP CB C 13 41.3055 . . . . . . . . 453 ASP CB . 27932 1 289 . 1 . 1 83 83 ASP N N 15 121.22 . . . . . . . . 453 ASP N . 27932 1 290 . 1 . 1 84 84 GLY H H 1 7.967 . . . . . . . . 454 GLY H . 27932 1 291 . 1 . 1 84 84 GLY HA2 H 1 3.965 . . . . . . . . 454 GLY HA . 27932 1 292 . 1 . 1 84 84 GLY HA3 H 1 3.965 . . . . . . . . 454 GLY HA . 27932 1 293 . 1 . 1 84 84 GLY CA C 13 44.7916 . . . . . . . . 454 GLY CA . 27932 1 294 . 1 . 1 84 84 GLY N N 15 108.445 . . . . . . . . 454 GLY N . 27932 1 295 . 1 . 1 86 86 GLY H H 1 8.556 . . . . . . . . 456 GLY H . 27932 1 296 . 1 . 1 86 86 GLY HA2 H 1 3.9433 . . . . . . . . 456 GLY HA . 27932 1 297 . 1 . 1 86 86 GLY HA3 H 1 3.9433 . . . . . . . . 456 GLY HA . 27932 1 298 . 1 . 1 86 86 GLY CA C 13 45.606 . . . . . . . . 456 GLY CA . 27932 1 299 . 1 . 1 86 86 GLY N N 15 109.574 . . . . . . . . 456 GLY N . 27932 1 300 . 1 . 1 87 87 GLY H H 1 8.206 . . . . . . . . 457 GLY H . 27932 1 301 . 1 . 1 87 87 GLY HA2 H 1 3.9507 . . . . . . . . 457 GLY HA . 27932 1 302 . 1 . 1 87 87 GLY HA3 H 1 3.9507 . . . . . . . . 457 GLY HA . 27932 1 303 . 1 . 1 87 87 GLY CA C 13 45.4 . . . . . . . . 457 GLY CA . 27932 1 304 . 1 . 1 87 87 GLY N N 15 108.497 . . . . . . . . 457 GLY N . 27932 1 305 . 1 . 1 89 89 PRO HA H 1 4.3995 . . . . . . . . 459 PRO HA . 27932 1 306 . 1 . 1 89 89 PRO CA C 13 63.723 . . . . . . . . 459 PRO CA . 27932 1 307 . 1 . 1 89 89 PRO CB C 13 32.234 . . . . . . . . 459 PRO CB . 27932 1 308 . 1 . 1 90 90 GLY H H 1 8.492 . . . . . . . . 460 GLY H . 27932 1 309 . 1 . 1 90 90 GLY HA2 H 1 3.9433 . . . . . . . . 460 GLY HA . 27932 1 310 . 1 . 1 90 90 GLY HA3 H 1 3.9433 . . . . . . . . 460 GLY HA . 27932 1 311 . 1 . 1 90 90 GLY CA C 13 45.464 . . . . . . . . 460 GLY CA . 27932 1 312 . 1 . 1 90 90 GLY N N 15 109.467 . . . . . . . . 460 GLY N . 27932 1 313 . 1 . 1 91 91 GLY HA2 H 1 3.9466 . . . . . . . . 461 GLY HA . 27932 1 314 . 1 . 1 91 91 GLY HA3 H 1 3.9466 . . . . . . . . 461 GLY HA . 27932 1 315 . 1 . 1 91 91 GLY CA C 13 45.452 . . . . . . . . 461 GLY CA . 27932 1 316 . 1 . 1 92 92 SER H H 1 8.146 . . . . . . . . 462 SER H . 27932 1 317 . 1 . 1 92 92 SER HA H 1 4.3634 . . . . . . . . 462 SER HA . 27932 1 318 . 1 . 1 92 92 SER CA C 13 58.744 . . . . . . . . 462 SER CA . 27932 1 319 . 1 . 1 92 92 SER CB C 13 64.148 . . . . . . . . 462 SER CB . 27932 1 320 . 1 . 1 92 92 SER N N 15 115.271 . . . . . . . . 462 SER N . 27932 1 321 . 1 . 1 93 93 HIS H H 1 8.373 . . . . . . . . 463 HIS H . 27932 1 322 . 1 . 1 93 93 HIS HA H 1 4.71 . . . . . . . . 463 HIS HA . 27932 1 323 . 1 . 1 93 93 HIS CA C 13 56.81 . . . . . . . . 463 HIS CA . 27932 1 324 . 1 . 1 93 93 HIS CB C 13 29.89 . . . . . . . . 463 HIS CB . 27932 1 325 . 1 . 1 93 93 HIS N N 15 122.387 . . . . . . . . 463 HIS N . 27932 1 326 . 1 . 1 94 94 MET HA H 1 4.6219 . . . . . . . . 464 MET HA . 27932 1 327 . 1 . 1 94 94 MET CA C 13 55.993 . . . . . . . . 464 MET CA . 27932 1 328 . 1 . 1 94 94 MET CB C 13 33.019 . . . . . . . . 464 MET CB . 27932 1 329 . 1 . 1 95 95 GLY H H 1 8.2593 . . . . . . . . 465 GLY H . 27932 1 330 . 1 . 1 95 95 GLY HA2 H 1 3.9355 . . . . . . . . 465 GLY HA . 27932 1 331 . 1 . 1 95 95 GLY HA3 H 1 3.9355 . . . . . . . . 465 GLY HA . 27932 1 332 . 1 . 1 95 95 GLY CA C 13 45.591 . . . . . . . . 465 GLY CA . 27932 1 333 . 1 . 1 95 95 GLY N N 15 109.859 . . . . . . . . 465 GLY N . 27932 1 334 . 1 . 1 96 96 GLY H H 1 8.235 . . . . . . . . 466 GLY H . 27932 1 335 . 1 . 1 96 96 GLY HA2 H 1 3.9371 . . . . . . . . 466 GLY HA . 27932 1 336 . 1 . 1 96 96 GLY HA3 H 1 3.9371 . . . . . . . . 466 GLY HA . 27932 1 337 . 1 . 1 96 96 GLY CA C 13 45.559 . . . . . . . . 466 GLY CA . 27932 1 338 . 1 . 1 96 96 GLY N N 15 108.584 . . . . . . . . 466 GLY N . 27932 1 339 . 1 . 1 97 97 ASN H H 1 8.387 . . . . . . . . 467 ASN H . 27932 1 340 . 1 . 1 97 97 ASN HA H 1 4.7051 . . . . . . . . 467 ASN HA . 27932 1 341 . 1 . 1 97 97 ASN CA C 13 53.42 . . . . . . . . 467 ASN CA . 27932 1 342 . 1 . 1 97 97 ASN CB C 13 39.09 . . . . . . . . 467 ASN CB . 27932 1 343 . 1 . 1 97 97 ASN N N 15 118.54 . . . . . . . . 467 ASN N . 27932 1 344 . 1 . 1 98 98 TYR H H 1 8.197 . . . . . . . . 468 TYR H . 27932 1 345 . 1 . 1 98 98 TYR HA H 1 4.4748 . . . . . . . . 468 TYR HA . 27932 1 346 . 1 . 1 98 98 TYR CA C 13 58.67 . . . . . . . . 468 TYR CA . 27932 1 347 . 1 . 1 98 98 TYR CB C 13 38.903 . . . . . . . . 468 TYR CB . 27932 1 348 . 1 . 1 98 98 TYR N N 15 120.857 . . . . . . . . 468 TYR N . 27932 1 349 . 1 . 1 99 99 GLY H H 1 8.405 . . . . . . . . 469 GLY H . 27932 1 350 . 1 . 1 99 99 GLY HA2 H 1 3.8821 . . . . . . . . 469 GLY HA . 27932 1 351 . 1 . 1 99 99 GLY HA3 H 1 3.8821 . . . . . . . . 469 GLY HA . 27932 1 352 . 1 . 1 99 99 GLY CA C 13 45.569 . . . . . . . . 469 GLY CA . 27932 1 353 . 1 . 1 99 99 GLY N N 15 111.373 . . . . . . . . 469 GLY N . 27932 1 354 . 1 . 1 100 100 ASP H H 1 8.251 . . . . . . . . 470 ASP H . 27932 1 355 . 1 . 1 100 100 ASP HA H 1 4.5785 . . . . . . . . 470 ASP HA . 27932 1 356 . 1 . 1 100 100 ASP CA C 13 54.706 . . . . . . . . 470 ASP CA . 27932 1 357 . 1 . 1 100 100 ASP CB C 13 41.424 . . . . . . . . 470 ASP CB . 27932 1 358 . 1 . 1 100 100 ASP N N 15 120.344 . . . . . . . . 470 ASP N . 27932 1 359 . 1 . 1 101 101 ASP H H 1 8.355 . . . . . . . . 471 ASP H . 27932 1 360 . 1 . 1 101 101 ASP HA H 1 4.5628 . . . . . . . . 471 ASP HA . 27932 1 361 . 1 . 1 101 101 ASP CA C 13 54.748 . . . . . . . . 471 ASP CA . 27932 1 362 . 1 . 1 101 101 ASP CB C 13 41.072 . . . . . . . . 471 ASP CB . 27932 1 363 . 1 . 1 101 101 ASP N N 15 120.985 . . . . . . . . 471 ASP N . 27932 1 364 . 1 . 1 102 102 ARG H H 1 8.375 . . . . . . . . 472 ARG H . 27932 1 365 . 1 . 1 102 102 ARG HA H 1 4.2615 . . . . . . . . 472 ARG HA . 27932 1 366 . 1 . 1 102 102 ARG CA C 13 56.414 . . . . . . . . 472 ARG CA . 27932 1 367 . 1 . 1 102 102 ARG CB C 13 30.548 . . . . . . . . 472 ARG CB . 27932 1 368 . 1 . 1 102 102 ARG N N 15 121.502 . . . . . . . . 472 ARG N . 27932 1 369 . 1 . 1 103 103 ARG H H 1 8.207 . . . . . . . . 473 ARG H . 27932 1 370 . 1 . 1 103 103 ARG HA H 1 4.2443 . . . . . . . . 473 ARG HA . 27932 1 371 . 1 . 1 103 103 ARG CA C 13 56.721 . . . . . . . . 473 ARG CA . 27932 1 372 . 1 . 1 103 103 ARG CB C 13 30.608 . . . . . . . . 473 ARG CB . 27932 1 373 . 1 . 1 103 103 ARG N N 15 120.619 . . . . . . . . 473 ARG N . 27932 1 374 . 1 . 1 104 104 GLY H H 1 8.414 . . . . . . . . 474 GLY H . 27932 1 375 . 1 . 1 104 104 GLY HA2 H 1 3.9079 . . . . . . . . 474 GLY HA . 27932 1 376 . 1 . 1 104 104 GLY HA3 H 1 3.9079 . . . . . . . . 474 GLY HA . 27932 1 377 . 1 . 1 104 104 GLY CA C 13 45.723 . . . . . . . . 474 GLY CA . 27932 1 378 . 1 . 1 104 104 GLY N N 15 109.324 . . . . . . . . 474 GLY N . 27932 1 379 . 1 . 1 105 105 GLY HA2 H 1 3.9021 . . . . . . . . 475 GLY HA . 27932 1 380 . 1 . 1 105 105 GLY HA3 H 1 3.9021 . . . . . . . . 475 GLY HA . 27932 1 381 . 1 . 1 106 106 ARG H H 1 8.246 . . . . . . . . 476 ARG H . 27932 1 382 . 1 . 1 106 106 ARG HA H 1 4.3222 . . . . . . . . 476 ARG HA . 27932 1 383 . 1 . 1 106 106 ARG CA C 13 56.457 . . . . . . . . 476 ARG CA . 27932 1 384 . 1 . 1 106 106 ARG CB C 13 30.866 . . . . . . . . 476 ARG CB . 27932 1 385 . 1 . 1 106 106 ARG N N 15 120.654 . . . . . . . . 476 ARG N . 27932 1 386 . 1 . 1 107 107 GLY H H 1 8.415 . . . . . . . . 477 GLY H . 27932 1 387 . 1 . 1 107 107 GLY HA2 H 1 3.8974 . . . . . . . . 477 GLY HA . 27932 1 388 . 1 . 1 107 107 GLY HA3 H 1 3.8974 . . . . . . . . 477 GLY HA . 27932 1 389 . 1 . 1 107 107 GLY CA C 13 45.68 . . . . . . . . 477 GLY CA . 27932 1 390 . 1 . 1 107 107 GLY N N 15 109.846 . . . . . . . . 477 GLY N . 27932 1 391 . 1 . 1 108 108 GLY H H 1 8.49 . . . . . . . . 478 GLY H . 27932 1 392 . 1 . 1 108 108 GLY HA2 H 1 3.9191 . . . . . . . . 478 GLY HA . 27932 1 393 . 1 . 1 108 108 GLY HA3 H 1 3.9191 . . . . . . . . 478 GLY HA . 27932 1 394 . 1 . 1 108 108 GLY CA C 13 45.455 . . . . . . . . 478 GLY CA . 27932 1 395 . 1 . 1 108 108 GLY N N 15 110.131 . . . . . . . . 478 GLY N . 27932 1 396 . 1 . 1 109 109 TYR H H 1 8.029 . . . . . . . . 479 TYR H . 27932 1 397 . 1 . 1 109 109 TYR HA H 1 4.5049 . . . . . . . . 479 TYR HA . 27932 1 398 . 1 . 1 109 109 TYR CA C 13 58.25 . . . . . . . . 479 TYR CA . 27932 1 399 . 1 . 1 109 109 TYR CB C 13 38.991 . . . . . . . . 479 TYR CB . 27932 1 400 . 1 . 1 109 109 TYR N N 15 119.886 . . . . . . . . 479 TYR N . 27932 1 401 . 1 . 1 110 110 ASP H H 1 8.302 . . . . . . . . 480 ASP H . 27932 1 402 . 1 . 1 110 110 ASP HA H 1 4.5319 . . . . . . . . 480 ASP HA . 27932 1 403 . 1 . 1 110 110 ASP CA C 13 54.597 . . . . . . . . 480 ASP CA . 27932 1 404 . 1 . 1 110 110 ASP CB C 13 41.368 . . . . . . . . 480 ASP CB . 27932 1 405 . 1 . 1 110 110 ASP N N 15 122.082 . . . . . . . . 480 ASP N . 27932 1 406 . 1 . 1 111 111 ARG H H 1 8.223 . . . . . . . . 481 ARG H . 27932 1 407 . 1 . 1 111 111 ARG HA H 1 4.2311 . . . . . . . . 481 ARG HA . 27932 1 408 . 1 . 1 111 111 ARG CA C 13 56.695 . . . . . . . . 481 ARG CA . 27932 1 409 . 1 . 1 111 111 ARG CB C 13 30.534 . . . . . . . . 481 ARG CB . 27932 1 410 . 1 . 1 111 111 ARG N N 15 121.961 . . . . . . . . 481 ARG N . 27932 1 411 . 1 . 1 112 112 GLY H H 1 8.373 . . . . . . . . 482 GLY H . 27932 1 412 . 1 . 1 112 112 GLY HA2 H 1 3.9144 . . . . . . . . 482 GLY HA . 27932 1 413 . 1 . 1 112 112 GLY HA3 H 1 3.9144 . . . . . . . . 482 GLY HA . 27932 1 414 . 1 . 1 112 112 GLY CA C 13 45.584 . . . . . . . . 482 GLY CA . 27932 1 415 . 1 . 1 112 112 GLY N N 15 109.611 . . . . . . . . 482 GLY N . 27932 1 416 . 1 . 1 113 113 GLY HA2 H 1 3.8739 . . . . . . . . 483 GLY HA . 27932 1 417 . 1 . 1 113 113 GLY HA3 H 1 3.8739 . . . . . . . . 483 GLY HA . 27932 1 418 . 1 . 1 113 113 GLY CA C 13 45.421 . . . . . . . . 483 GLY CA . 27932 1 419 . 1 . 1 114 114 TYR H H 1 8.121 . . . . . . . . 484 TYR H . 27932 1 420 . 1 . 1 114 114 TYR HA H 1 4.5685 . . . . . . . . 484 TYR HA . 27932 1 421 . 1 . 1 114 114 TYR CA C 13 58.754 . . . . . . . . 484 TYR CA . 27932 1 422 . 1 . 1 114 114 TYR CB C 13 38.89 . . . . . . . . 484 TYR CB . 27932 1 423 . 1 . 1 114 114 TYR N N 15 120.552 . . . . . . . . 484 TYR N . 27932 1 424 . 1 . 1 115 115 ARG H H 1 8.275 . . . . . . . . 485 ARG H . 27932 1 425 . 1 . 1 115 115 ARG HA H 1 4.2185 . . . . . . . . 485 ARG HA . 27932 1 426 . 1 . 1 115 115 ARG CA C 13 56.26 . . . . . . . . 485 ARG CA . 27932 1 427 . 1 . 1 115 115 ARG CB C 13 30.778 . . . . . . . . 485 ARG CB . 27932 1 428 . 1 . 1 115 115 ARG N N 15 123.795 . . . . . . . . 485 ARG N . 27932 1 429 . 1 . 1 116 116 GLY H H 1 7.685 . . . . . . . . 486 GLY H . 27932 1 430 . 1 . 1 116 116 GLY HA2 H 1 3.867 . . . . . . . . 486 GLY HA . 27932 1 431 . 1 . 1 116 116 GLY HA3 H 1 3.867 . . . . . . . . 486 GLY HA . 27932 1 432 . 1 . 1 116 116 GLY CA C 13 45.395 . . . . . . . . 486 GLY CA . 27932 1 433 . 1 . 1 116 116 GLY N N 15 108.816 . . . . . . . . 486 GLY N . 27932 1 434 . 1 . 1 117 117 ARG H H 1 8.299 . . . . . . . . 487 ARG H . 27932 1 435 . 1 . 1 117 117 ARG HA H 1 4.3294 . . . . . . . . 487 ARG HA . 27932 1 436 . 1 . 1 117 117 ARG CA C 13 56.45 . . . . . . . . 487 ARG CA . 27932 1 437 . 1 . 1 117 117 ARG CB C 13 30.894 . . . . . . . . 487 ARG CB . 27932 1 438 . 1 . 1 117 117 ARG N N 15 120.576 . . . . . . . . 487 ARG N . 27932 1 439 . 1 . 1 118 118 GLY H H 1 8.451 . . . . . . . . 488 GLY H . 27932 1 440 . 1 . 1 118 118 GLY HA2 H 1 3.9201 . . . . . . . . 488 GLY HA . 27932 1 441 . 1 . 1 118 118 GLY HA3 H 1 3.9201 . . . . . . . . 488 GLY HA . 27932 1 442 . 1 . 1 118 118 GLY CA C 13 45.543 . . . . . . . . 488 GLY CA . 27932 1 443 . 1 . 1 118 118 GLY N N 15 109.836 . . . . . . . . 488 GLY N . 27932 1 444 . 1 . 1 119 119 GLY HA2 H 1 3.9257 . . . . . . . . 489 GLY HA . 27932 1 445 . 1 . 1 119 119 GLY HA3 H 1 3.9257 . . . . . . . . 489 GLY HA . 27932 1 446 . 1 . 1 119 119 GLY CA C 13 45.56 . . . . . . . . 489 GLY CA . 27932 1 447 . 1 . 1 120 120 ASP H H 1 8.239 . . . . . . . . 490 ASP H . 27932 1 448 . 1 . 1 120 120 ASP HA H 1 4.5512 . . . . . . . . 490 ASP HA . 27932 1 449 . 1 . 1 120 120 ASP CA C 13 54.95 . . . . . . . . 490 ASP CA . 27932 1 450 . 1 . 1 120 120 ASP CB C 13 41.456 . . . . . . . . 490 ASP CB . 27932 1 451 . 1 . 1 120 120 ASP N N 15 120.598 . . . . . . . . 490 ASP N . 27932 1 452 . 1 . 1 121 121 ARG H H 1 8.369 . . . . . . . . 491 ARG H . 27932 1 453 . 1 . 1 121 121 ARG HA H 1 4.2844 . . . . . . . . 491 ARG HA . 27932 1 454 . 1 . 1 121 121 ARG CA C 13 56.37 . . . . . . . . 491 ARG CA . 27932 1 455 . 1 . 1 121 121 ARG CB C 13 30.543 . . . . . . . . 491 ARG CB . 27932 1 456 . 1 . 1 121 121 ARG N N 15 121.361 . . . . . . . . 491 ARG N . 27932 1 457 . 1 . 1 122 122 GLY H H 1 7.794 . . . . . . . . 492 GLY H . 27932 1 458 . 1 . 1 122 122 GLY HA2 H 1 3.8599 . . . . . . . . 492 GLY HA . 27932 1 459 . 1 . 1 122 122 GLY HA3 H 1 3.8599 . . . . . . . . 492 GLY HA . 27932 1 460 . 1 . 1 122 122 GLY CA C 13 45.55 . . . . . . . . 492 GLY CA . 27932 1 461 . 1 . 1 122 122 GLY N N 15 109.081 . . . . . . . . 492 GLY N . 27932 1 462 . 1 . 1 123 123 GLY H H 1 7.897 . . . . . . . . 493 GLY H . 27932 1 463 . 1 . 1 123 123 GLY HA2 H 1 3.867 . . . . . . . . 493 GLY HA . 27932 1 464 . 1 . 1 123 123 GLY HA3 H 1 3.867 . . . . . . . . 493 GLY HA . 27932 1 465 . 1 . 1 123 123 GLY CA C 13 45.4 . . . . . . . . 493 GLY CA . 27932 1 466 . 1 . 1 123 123 GLY N N 15 108.265 . . . . . . . . 493 GLY N . 27932 1 467 . 1 . 1 124 124 PHE H H 1 8.268 . . . . . . . . 494 PHE H . 27932 1 468 . 1 . 1 124 124 PHE HA H 1 4.6791 . . . . . . . . 494 PHE HA . 27932 1 469 . 1 . 1 124 124 PHE CA C 13 57.413 . . . . . . . . 494 PHE CA . 27932 1 470 . 1 . 1 124 124 PHE CB C 13 39.0579 . . . . . . . . 494 PHE CB . 27932 1 471 . 1 . 1 124 124 PHE N N 15 118.757 . . . . . . . . 494 PHE N . 27932 1 472 . 1 . 1 125 125 ARG H H 1 8.347 . . . . . . . . 495 ARG H . 27932 1 473 . 1 . 1 125 125 ARG HA H 1 4.2615 . . . . . . . . 495 ARG HA . 27932 1 474 . 1 . 1 125 125 ARG CA C 13 56.084 . . . . . . . . 495 ARG CA . 27932 1 475 . 1 . 1 125 125 ARG CB C 13 30.0215 . . . . . . . . 495 ARG CB . 27932 1 476 . 1 . 1 125 125 ARG N N 15 121.326 . . . . . . . . 495 ARG N . 27932 1 477 . 1 . 1 128 128 ARG H H 1 8.409 . . . . . . . . 498 ARG H . 27932 1 478 . 1 . 1 128 128 ARG HA H 1 4.2388 . . . . . . . . 498 ARG HA . 27932 1 479 . 1 . 1 128 128 ARG CA C 13 56.535 . . . . . . . . 498 ARG CA . 27932 1 480 . 1 . 1 128 128 ARG CB C 13 30.415 . . . . . . . . 498 ARG CB . 27932 1 481 . 1 . 1 128 128 ARG N N 15 121.639 . . . . . . . . 498 ARG N . 27932 1 482 . 1 . 1 133 133 ARG H H 1 8.35 . . . . . . . . 503 ARG H . 27932 1 483 . 1 . 1 133 133 ARG HA H 1 4.2341 . . . . . . . . 503 ARG HA . 27932 1 484 . 1 . 1 133 133 ARG CA C 13 57.395 . . . . . . . . 503 ARG CA . 27932 1 485 . 1 . 1 133 133 ARG CB C 13 32.95 . . . . . . . . 503 ARG CB . 27932 1 486 . 1 . 1 133 133 ARG N N 15 118.622 . . . . . . . . 503 ARG N . 27932 1 487 . 1 . 1 134 134 GLY H H 1 8.439 . . . . . . . . 504 GLY H . 27932 1 488 . 1 . 1 134 134 GLY HA2 H 1 3.9551 . . . . . . . . 504 GLY HA . 27932 1 489 . 1 . 1 134 134 GLY HA3 H 1 3.9551 . . . . . . . . 504 GLY HA . 27932 1 490 . 1 . 1 134 134 GLY CA C 13 45.45 . . . . . . . . 504 GLY CA . 27932 1 491 . 1 . 1 134 134 GLY N N 15 110.2325 . . . . . . . . 504 GLY N . 27932 1 492 . 1 . 1 135 135 GLY H H 1 8.16 . . . . . . . . 505 GLY H . 27932 1 493 . 1 . 1 135 135 GLY HA2 H 1 3.888 . . . . . . . . 505 GLY HA . 27932 1 494 . 1 . 1 135 135 GLY HA3 H 1 3.888 . . . . . . . . 505 GLY HA . 27932 1 495 . 1 . 1 135 135 GLY CA C 13 45.298 . . . . . . . . 505 GLY CA . 27932 1 496 . 1 . 1 135 135 GLY N N 15 108.5 . . . . . . . . 505 GLY N . 27932 1 497 . 1 . 1 136 136 PHE H H 1 8.102 . . . . . . . . 506 PHE H . 27932 1 498 . 1 . 1 136 136 PHE HA H 1 4.6382 . . . . . . . . 506 PHE HA . 27932 1 499 . 1 . 1 136 136 PHE CA C 13 57.745 . . . . . . . . 506 PHE CA . 27932 1 500 . 1 . 1 136 136 PHE CB C 13 40.176 . . . . . . . . 506 PHE CB . 27932 1 501 . 1 . 1 136 136 PHE N N 15 119.514 . . . . . . . . 506 PHE N . 27932 1 502 . 1 . 1 137 137 GLY H H 1 8.251 . . . . . . . . 507 GLY H . 27932 1 503 . 1 . 1 137 137 GLY HA2 H 1 4.0358 . . . . . . . . 507 GLY HA . 27932 1 504 . 1 . 1 137 137 GLY HA3 H 1 4.0358 . . . . . . . . 507 GLY HA . 27932 1 505 . 1 . 1 137 137 GLY CA C 13 45.574 . . . . . . . . 507 GLY CA . 27932 1 506 . 1 . 1 137 137 GLY N N 15 110.326 . . . . . . . . 507 GLY N . 27932 1 507 . 1 . 1 138 138 PRO CA C 13 63.164 . . . . . . . . 508 PRO CA . 27932 1 508 . 1 . 1 138 138 PRO CB C 13 32.752 . . . . . . . . 508 PRO CB . 27932 1 509 . 1 . 1 139 139 GLY H H 1 8.589 . . . . . . . . 509 GLY H . 27932 1 510 . 1 . 1 139 139 GLY HA2 H 1 3.9315 . . . . . . . . 509 GLY HA . 27932 1 511 . 1 . 1 139 139 GLY HA3 H 1 3.9315 . . . . . . . . 509 GLY HA . 27932 1 512 . 1 . 1 139 139 GLY CA C 13 45.339 . . . . . . . . 509 GLY CA . 27932 1 513 . 1 . 1 139 139 GLY N N 15 110.468 . . . . . . . . 509 GLY N . 27932 1 514 . 1 . 1 140 140 LYS H H 1 8.11 . . . . . . . . 510 LYS H . 27932 1 515 . 1 . 1 140 140 LYS HA H 1 4.2876 . . . . . . . . 510 LYS HA . 27932 1 516 . 1 . 1 140 140 LYS CA C 13 56.466 . . . . . . . . 510 LYS CA . 27932 1 517 . 1 . 1 140 140 LYS CB C 13 33.323 . . . . . . . . 510 LYS CB . 27932 1 518 . 1 . 1 140 140 LYS N N 15 120.774 . . . . . . . . 510 LYS N . 27932 1 519 . 1 . 1 141 141 MET H H 1 8.463 . . . . . . . . 511 MET H . 27932 1 520 . 1 . 1 141 141 MET HA H 1 4.3001 . . . . . . . . 511 MET HA . 27932 1 521 . 1 . 1 141 141 MET CA C 13 55.789 . . . . . . . . 511 MET CA . 27932 1 522 . 1 . 1 141 141 MET CB C 13 33.147 . . . . . . . . 511 MET CB . 27932 1 523 . 1 . 1 141 141 MET N N 15 121.69 . . . . . . . . 511 MET N . 27932 1 524 . 1 . 1 142 142 ASP H H 1 8.314 . . . . . . . . 512 ASP H . 27932 1 525 . 1 . 1 142 142 ASP HA H 1 4.611 . . . . . . . . 512 ASP HA . 27932 1 526 . 1 . 1 142 142 ASP CA C 13 54.5 . . . . . . . . 512 ASP CA . 27932 1 527 . 1 . 1 142 142 ASP CB C 13 41.597 . . . . . . . . 512 ASP CB . 27932 1 528 . 1 . 1 142 142 ASP N N 15 121.897 . . . . . . . . 512 ASP N . 27932 1 529 . 1 . 1 143 143 SER H H 1 8.345 . . . . . . . . 513 SER H . 27932 1 530 . 1 . 1 143 143 SER HA H 1 4.3888 . . . . . . . . 513 SER HA . 27932 1 531 . 1 . 1 143 143 SER CA C 13 59.051 . . . . . . . . 513 SER CA . 27932 1 532 . 1 . 1 143 143 SER CB C 13 63.914 . . . . . . . . 513 SER CB . 27932 1 533 . 1 . 1 143 143 SER N N 15 117.236 . . . . . . . . 513 SER N . 27932 1 534 . 1 . 1 144 144 ARG H H 1 8.37 . . . . . . . . 514 ARG H . 27932 1 535 . 1 . 1 144 144 ARG HA H 1 4.3077 . . . . . . . . 514 ARG HA . 27932 1 536 . 1 . 1 144 144 ARG CA C 13 57.035 . . . . . . . . 514 ARG CA . 27932 1 537 . 1 . 1 144 144 ARG CB C 13 30.605 . . . . . . . . 514 ARG CB . 27932 1 538 . 1 . 1 144 144 ARG N N 15 122.483 . . . . . . . . 514 ARG N . 27932 1 539 . 1 . 1 145 145 GLY H H 1 8.266 . . . . . . . . 515 GLY H . 27932 1 540 . 1 . 1 145 145 GLY HA2 H 1 3.9182 . . . . . . . . 515 GLY HA . 27932 1 541 . 1 . 1 145 145 GLY HA3 H 1 3.9182 . . . . . . . . 515 GLY HA . 27932 1 542 . 1 . 1 145 145 GLY CA C 13 45.588 . . . . . . . . 515 GLY CA . 27932 1 543 . 1 . 1 145 145 GLY N N 15 108.91 . . . . . . . . 515 GLY N . 27932 1 544 . 1 . 1 146 146 GLU H H 1 8.244 . . . . . . . . 516 GLU H . 27932 1 545 . 1 . 1 146 146 GLU HA H 1 4.306 . . . . . . . . 516 GLU HA . 27932 1 546 . 1 . 1 146 146 GLU CA C 13 56.232 . . . . . . . . 516 GLU CA . 27932 1 547 . 1 . 1 146 146 GLU CB C 13 29.11 . . . . . . . . 516 GLU CB . 27932 1 548 . 1 . 1 146 146 GLU N N 15 119.737 . . . . . . . . 516 GLU N . 27932 1 549 . 1 . 1 147 147 HIS H H 1 8.578 . . . . . . . . 517 HIS H . 27932 1 550 . 1 . 1 147 147 HIS HA H 1 4.6921 . . . . . . . . 517 HIS HA . 27932 1 551 . 1 . 1 147 147 HIS CA C 13 55.411 . . . . . . . . 517 HIS CA . 27932 1 552 . 1 . 1 147 147 HIS CB C 13 28.953 . . . . . . . . 517 HIS CB . 27932 1 553 . 1 . 1 147 147 HIS N N 15 119.663 . . . . . . . . 517 HIS N . 27932 1 554 . 1 . 1 148 148 ARG H H 1 8.358 . . . . . . . . 518 ARG H . 27932 1 555 . 1 . 1 148 148 ARG HA H 1 4.2666 . . . . . . . . 518 ARG HA . 27932 1 556 . 1 . 1 148 148 ARG CA C 13 56.567 . . . . . . . . 518 ARG CA . 27932 1 557 . 1 . 1 148 148 ARG CB C 13 31.057 . . . . . . . . 518 ARG CB . 27932 1 558 . 1 . 1 148 148 ARG N N 15 122.771 . . . . . . . . 518 ARG N . 27932 1 559 . 1 . 1 149 149 GLN H H 1 8.571 . . . . . . . . 519 GLN H . 27932 1 560 . 1 . 1 149 149 GLN HA H 1 4.278 . . . . . . . . 519 GLN HA . 27932 1 561 . 1 . 1 149 149 GLN CA C 13 56.322 . . . . . . . . 519 GLN CA . 27932 1 562 . 1 . 1 149 149 GLN CB C 13 29.531 . . . . . . . . 519 GLN CB . 27932 1 563 . 1 . 1 149 149 GLN N N 15 121.631 . . . . . . . . 519 GLN N . 27932 1 564 . 1 . 1 150 150 ASP H H 1 8.355 . . . . . . . . 520 ASP H . 27932 1 565 . 1 . 1 150 150 ASP HA H 1 4.557 . . . . . . . . 520 ASP HA . 27932 1 566 . 1 . 1 150 150 ASP CA C 13 54.617 . . . . . . . . 520 ASP CA . 27932 1 567 . 1 . 1 150 150 ASP CB C 13 41.371 . . . . . . . . 520 ASP CB . 27932 1 568 . 1 . 1 150 150 ASP N N 15 121.837 . . . . . . . . 520 ASP N . 27932 1 569 . 1 . 1 151 151 ARG H H 1 8.251 . . . . . . . . 521 ARG H . 27932 1 570 . 1 . 1 151 151 ARG HA H 1 4.2964 . . . . . . . . 521 ARG HA . 27932 1 571 . 1 . 1 151 151 ARG CA C 13 56.382 . . . . . . . . 521 ARG CA . 27932 1 572 . 1 . 1 151 151 ARG CB C 13 30.683 . . . . . . . . 521 ARG CB . 27932 1 573 . 1 . 1 151 151 ARG N N 15 121.696 . . . . . . . . 521 ARG N . 27932 1 574 . 1 . 1 152 152 ARG H H 1 8.349 . . . . . . . . 522 ARG H . 27932 1 575 . 1 . 1 152 152 ARG HA H 1 4.2351 . . . . . . . . 522 ARG HA . 27932 1 576 . 1 . 1 152 152 ARG CA C 13 56.286 . . . . . . . . 522 ARG CA . 27932 1 577 . 1 . 1 152 152 ARG CB C 13 30.764 . . . . . . . . 522 ARG CB . 27932 1 578 . 1 . 1 152 152 ARG N N 15 123.819 . . . . . . . . 522 ARG N . 27932 1 579 . 1 . 1 153 153 GLU H H 1 8.359 . . . . . . . . 523 GLU H . 27932 1 580 . 1 . 1 153 153 GLU HA H 1 4.293 . . . . . . . . 523 GLU HA . 27932 1 581 . 1 . 1 153 153 GLU CA C 13 56.849 . . . . . . . . 523 GLU CA . 27932 1 582 . 1 . 1 153 153 GLU CB C 13 30.598 . . . . . . . . 523 GLU CB . 27932 1 583 . 1 . 1 153 153 GLU N N 15 122.594 . . . . . . . . 523 GLU N . 27932 1 584 . 1 . 1 154 154 ARG H H 1 8.172 . . . . . . . . 524 ARG H . 27932 1 585 . 1 . 1 154 154 ARG HA H 1 4.5357 . . . . . . . . 524 ARG HA . 27932 1 586 . 1 . 1 154 154 ARG CA C 13 54.014 . . . . . . . . 524 ARG CA . 27932 1 587 . 1 . 1 154 154 ARG CB C 13 30.765 . . . . . . . . 524 ARG CB . 27932 1 588 . 1 . 1 154 154 ARG N N 15 122.01 . . . . . . . . 524 ARG N . 27932 1 589 . 1 . 1 155 155 PRO HA H 1 4.3677 . . . . . . . . 525 PRO HA . 27932 1 590 . 1 . 1 155 155 PRO CA C 13 63.747 . . . . . . . . 525 PRO CA . 27932 1 591 . 1 . 1 155 155 PRO CB C 13 31.829 . . . . . . . . 525 PRO CB . 27932 1 592 . 1 . 1 156 156 TYR H H 1 7.43 . . . . . . . . 526 TYR H . 27932 1 593 . 1 . 1 156 156 TYR HA H 1 4.3101 . . . . . . . . 526 TYR HA . 27932 1 594 . 1 . 1 156 156 TYR CA C 13 59.182 . . . . . . . . 526 TYR CA . 27932 1 595 . 1 . 1 156 156 TYR CB C 13 39.383 . . . . . . . . 526 TYR CB . 27932 1 596 . 1 . 1 156 156 TYR N N 15 123.715 . . . . . . . . 526 TYR N . 27932 1 stop_ save_