data_31025 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31025 _Entry.Title ; TPX2 Minimal Active Domain on Microtubules ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-05-19 _Entry.Accession_date 2022-05-19 _Entry.Last_release_date 2022-09-23 _Entry.Original_release_date 2022-09-23 _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 'SOLID-STATE NMR' _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 C. Guo C. . . . 31025 2 R. Alfaro-Aco R. . . . 31025 3 R. Russell R. . . . 31025 4 C. Zhang C. . . . 31025 5 S. Petry S. . . . 31025 6 T. Polenova T. . . . 31025 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'CELL CYCLE' . 31025 'spindle assembly factor branching microtubule nucleation' . 31025 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31025 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 507 31025 '15N chemical shifts' 173 31025 '1H chemical shifts' 171 31025 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 . . 2023-06-27 . original BMRB . 31025 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8CX6 'BMRB Entry Tracking System' 31025 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31025 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37344496 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis of protein condensation on microtubules underlying branching microtubule nucleation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD 0353 _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 3682 _Citation.Page_last 3682 _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 C. Guo C. . . . 31025 1 2 R. Alfaro-Aco R. . . . 31025 1 3 C. Zhang C. . . . 31025 1 4 R. Russell R. . . . 31025 1 5 S. Petry S. . . . 31025 1 6 T. Polenova T. . . . 31025 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31025 _Assembly.ID 1 _Assembly.Name 'Targeting protein for Xklp2-A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 unit_1 1 $entity_1 A A yes . . . . . . 31025 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31025 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VPVIKATRMPHYGVPFKPKL VEQRQVDVCPFSFCDRDKER QLQKEKRLDELRKDEVPKFK AQPLPQFDNIRLPEKKVKMP TQQEPFDLEIEKRGASKLQR WQQQIQEELKQQKEMVVFKA RPNTVVHQEPFVPKKENRSL TESLSGSIVQEGFELATAKR AKERQEFDKCLAETEAQKSL LEEEIRKRREEEEKEEISQL RQELVHKAKPIRKYRAVEVK ASDVPLTVPRSPNFSDRFKC ; _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 no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 240 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 28443.770 _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 1 477 VAL . 31025 1 2 478 PRO . 31025 1 3 479 VAL . 31025 1 4 480 ILE . 31025 1 5 481 LYS . 31025 1 6 482 ALA . 31025 1 7 483 THR . 31025 1 8 484 ARG . 31025 1 9 485 MET . 31025 1 10 486 PRO . 31025 1 11 487 HIS . 31025 1 12 488 TYR . 31025 1 13 489 GLY . 31025 1 14 490 VAL . 31025 1 15 491 PRO . 31025 1 16 492 PHE . 31025 1 17 493 LYS . 31025 1 18 494 PRO . 31025 1 19 495 LYS . 31025 1 20 496 LEU . 31025 1 21 497 VAL . 31025 1 22 498 GLU . 31025 1 23 499 GLN . 31025 1 24 500 ARG . 31025 1 25 501 GLN . 31025 1 26 502 VAL . 31025 1 27 503 ASP . 31025 1 28 504 VAL . 31025 1 29 505 CYS . 31025 1 30 506 PRO . 31025 1 31 507 PHE . 31025 1 32 508 SER . 31025 1 33 509 PHE . 31025 1 34 510 CYS . 31025 1 35 511 ASP . 31025 1 36 512 ARG . 31025 1 37 513 ASP . 31025 1 38 514 LYS . 31025 1 39 515 GLU . 31025 1 40 516 ARG . 31025 1 41 517 GLN . 31025 1 42 518 LEU . 31025 1 43 519 GLN . 31025 1 44 520 LYS . 31025 1 45 521 GLU . 31025 1 46 522 LYS . 31025 1 47 523 ARG . 31025 1 48 524 LEU . 31025 1 49 525 ASP . 31025 1 50 526 GLU . 31025 1 51 527 LEU . 31025 1 52 528 ARG . 31025 1 53 529 LYS . 31025 1 54 530 ASP . 31025 1 55 531 GLU . 31025 1 56 532 VAL . 31025 1 57 533 PRO . 31025 1 58 534 LYS . 31025 1 59 535 PHE . 31025 1 60 536 LYS . 31025 1 61 537 ALA . 31025 1 62 538 GLN . 31025 1 63 539 PRO . 31025 1 64 540 LEU . 31025 1 65 541 PRO . 31025 1 66 542 GLN . 31025 1 67 543 PHE . 31025 1 68 544 ASP . 31025 1 69 545 ASN . 31025 1 70 546 ILE . 31025 1 71 547 ARG . 31025 1 72 548 LEU . 31025 1 73 549 PRO . 31025 1 74 550 GLU . 31025 1 75 551 LYS . 31025 1 76 552 LYS . 31025 1 77 553 VAL . 31025 1 78 554 LYS . 31025 1 79 555 MET . 31025 1 80 556 PRO . 31025 1 81 557 THR . 31025 1 82 558 GLN . 31025 1 83 559 GLN . 31025 1 84 560 GLU . 31025 1 85 561 PRO . 31025 1 86 562 PHE . 31025 1 87 563 ASP . 31025 1 88 564 LEU . 31025 1 89 565 GLU . 31025 1 90 566 ILE . 31025 1 91 567 GLU . 31025 1 92 568 LYS . 31025 1 93 569 ARG . 31025 1 94 570 GLY . 31025 1 95 571 ALA . 31025 1 96 572 SER . 31025 1 97 573 LYS . 31025 1 98 574 LEU . 31025 1 99 575 GLN . 31025 1 100 576 ARG . 31025 1 101 577 TRP . 31025 1 102 578 GLN . 31025 1 103 579 GLN . 31025 1 104 580 GLN . 31025 1 105 581 ILE . 31025 1 106 582 GLN . 31025 1 107 583 GLU . 31025 1 108 584 GLU . 31025 1 109 585 LEU . 31025 1 110 586 LYS . 31025 1 111 587 GLN . 31025 1 112 588 GLN . 31025 1 113 589 LYS . 31025 1 114 590 GLU . 31025 1 115 591 MET . 31025 1 116 592 VAL . 31025 1 117 593 VAL . 31025 1 118 594 PHE . 31025 1 119 595 LYS . 31025 1 120 596 ALA . 31025 1 121 597 ARG . 31025 1 122 598 PRO . 31025 1 123 599 ASN . 31025 1 124 600 THR . 31025 1 125 601 VAL . 31025 1 126 602 VAL . 31025 1 127 603 HIS . 31025 1 128 604 GLN . 31025 1 129 605 GLU . 31025 1 130 606 PRO . 31025 1 131 607 PHE . 31025 1 132 608 VAL . 31025 1 133 609 PRO . 31025 1 134 610 LYS . 31025 1 135 611 LYS . 31025 1 136 612 GLU . 31025 1 137 613 ASN . 31025 1 138 614 ARG . 31025 1 139 615 SER . 31025 1 140 616 LEU . 31025 1 141 617 THR . 31025 1 142 618 GLU . 31025 1 143 619 SER . 31025 1 144 620 LEU . 31025 1 145 621 SER . 31025 1 146 622 GLY . 31025 1 147 623 SER . 31025 1 148 624 ILE . 31025 1 149 625 VAL . 31025 1 150 626 GLN . 31025 1 151 627 GLU . 31025 1 152 628 GLY . 31025 1 153 629 PHE . 31025 1 154 630 GLU . 31025 1 155 631 LEU . 31025 1 156 632 ALA . 31025 1 157 633 THR . 31025 1 158 634 ALA . 31025 1 159 635 LYS . 31025 1 160 636 ARG . 31025 1 161 637 ALA . 31025 1 162 638 LYS . 31025 1 163 639 GLU . 31025 1 164 640 ARG . 31025 1 165 641 GLN . 31025 1 166 642 GLU . 31025 1 167 643 PHE . 31025 1 168 644 ASP . 31025 1 169 645 LYS . 31025 1 170 646 CYS . 31025 1 171 647 LEU . 31025 1 172 648 ALA . 31025 1 173 649 GLU . 31025 1 174 650 THR . 31025 1 175 651 GLU . 31025 1 176 652 ALA . 31025 1 177 653 GLN . 31025 1 178 654 LYS . 31025 1 179 655 SER . 31025 1 180 656 LEU . 31025 1 181 657 LEU . 31025 1 182 658 GLU . 31025 1 183 659 GLU . 31025 1 184 660 GLU . 31025 1 185 661 ILE . 31025 1 186 662 ARG . 31025 1 187 663 LYS . 31025 1 188 664 ARG . 31025 1 189 665 ARG . 31025 1 190 666 GLU . 31025 1 191 667 GLU . 31025 1 192 668 GLU . 31025 1 193 669 GLU . 31025 1 194 670 LYS . 31025 1 195 671 GLU . 31025 1 196 672 GLU . 31025 1 197 673 ILE . 31025 1 198 674 SER . 31025 1 199 675 GLN . 31025 1 200 676 LEU . 31025 1 201 677 ARG . 31025 1 202 678 GLN . 31025 1 203 679 GLU . 31025 1 204 680 LEU . 31025 1 205 681 VAL . 31025 1 206 682 HIS . 31025 1 207 683 LYS . 31025 1 208 684 ALA . 31025 1 209 685 LYS . 31025 1 210 686 PRO . 31025 1 211 687 ILE . 31025 1 212 688 ARG . 31025 1 213 689 LYS . 31025 1 214 690 TYR . 31025 1 215 691 ARG . 31025 1 216 692 ALA . 31025 1 217 693 VAL . 31025 1 218 694 GLU . 31025 1 219 695 VAL . 31025 1 220 696 LYS . 31025 1 221 697 ALA . 31025 1 222 698 SER . 31025 1 223 699 ASP . 31025 1 224 700 VAL . 31025 1 225 701 PRO . 31025 1 226 702 LEU . 31025 1 227 703 THR . 31025 1 228 704 VAL . 31025 1 229 705 PRO . 31025 1 230 706 ARG . 31025 1 231 707 SER . 31025 1 232 708 PRO . 31025 1 233 709 ASN . 31025 1 234 710 PHE . 31025 1 235 711 SER . 31025 1 236 712 ASP . 31025 1 237 713 ARG . 31025 1 238 714 PHE . 31025 1 239 715 LYS . 31025 1 240 716 CYS . 31025 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 . VAL 1 1 31025 1 . PRO 2 2 31025 1 . VAL 3 3 31025 1 . ILE 4 4 31025 1 . LYS 5 5 31025 1 . ALA 6 6 31025 1 . THR 7 7 31025 1 . ARG 8 8 31025 1 . MET 9 9 31025 1 . PRO 10 10 31025 1 . HIS 11 11 31025 1 . TYR 12 12 31025 1 . GLY 13 13 31025 1 . VAL 14 14 31025 1 . PRO 15 15 31025 1 . PHE 16 16 31025 1 . LYS 17 17 31025 1 . PRO 18 18 31025 1 . LYS 19 19 31025 1 . LEU 20 20 31025 1 . VAL 21 21 31025 1 . GLU 22 22 31025 1 . GLN 23 23 31025 1 . ARG 24 24 31025 1 . GLN 25 25 31025 1 . VAL 26 26 31025 1 . ASP 27 27 31025 1 . VAL 28 28 31025 1 . CYS 29 29 31025 1 . PRO 30 30 31025 1 . PHE 31 31 31025 1 . SER 32 32 31025 1 . PHE 33 33 31025 1 . CYS 34 34 31025 1 . ASP 35 35 31025 1 . ARG 36 36 31025 1 . ASP 37 37 31025 1 . LYS 38 38 31025 1 . GLU 39 39 31025 1 . ARG 40 40 31025 1 . GLN 41 41 31025 1 . LEU 42 42 31025 1 . GLN 43 43 31025 1 . LYS 44 44 31025 1 . GLU 45 45 31025 1 . LYS 46 46 31025 1 . ARG 47 47 31025 1 . LEU 48 48 31025 1 . ASP 49 49 31025 1 . GLU 50 50 31025 1 . LEU 51 51 31025 1 . ARG 52 52 31025 1 . LYS 53 53 31025 1 . ASP 54 54 31025 1 . GLU 55 55 31025 1 . VAL 56 56 31025 1 . PRO 57 57 31025 1 . LYS 58 58 31025 1 . PHE 59 59 31025 1 . LYS 60 60 31025 1 . ALA 61 61 31025 1 . GLN 62 62 31025 1 . PRO 63 63 31025 1 . LEU 64 64 31025 1 . PRO 65 65 31025 1 . GLN 66 66 31025 1 . PHE 67 67 31025 1 . ASP 68 68 31025 1 . ASN 69 69 31025 1 . ILE 70 70 31025 1 . ARG 71 71 31025 1 . LEU 72 72 31025 1 . PRO 73 73 31025 1 . GLU 74 74 31025 1 . LYS 75 75 31025 1 . LYS 76 76 31025 1 . VAL 77 77 31025 1 . LYS 78 78 31025 1 . MET 79 79 31025 1 . PRO 80 80 31025 1 . THR 81 81 31025 1 . GLN 82 82 31025 1 . GLN 83 83 31025 1 . GLU 84 84 31025 1 . PRO 85 85 31025 1 . PHE 86 86 31025 1 . ASP 87 87 31025 1 . LEU 88 88 31025 1 . GLU 89 89 31025 1 . ILE 90 90 31025 1 . GLU 91 91 31025 1 . LYS 92 92 31025 1 . ARG 93 93 31025 1 . GLY 94 94 31025 1 . ALA 95 95 31025 1 . SER 96 96 31025 1 . LYS 97 97 31025 1 . LEU 98 98 31025 1 . GLN 99 99 31025 1 . ARG 100 100 31025 1 . TRP 101 101 31025 1 . GLN 102 102 31025 1 . GLN 103 103 31025 1 . GLN 104 104 31025 1 . ILE 105 105 31025 1 . GLN 106 106 31025 1 . GLU 107 107 31025 1 . GLU 108 108 31025 1 . LEU 109 109 31025 1 . LYS 110 110 31025 1 . GLN 111 111 31025 1 . GLN 112 112 31025 1 . LYS 113 113 31025 1 . GLU 114 114 31025 1 . MET 115 115 31025 1 . VAL 116 116 31025 1 . VAL 117 117 31025 1 . PHE 118 118 31025 1 . LYS 119 119 31025 1 . ALA 120 120 31025 1 . ARG 121 121 31025 1 . PRO 122 122 31025 1 . ASN 123 123 31025 1 . THR 124 124 31025 1 . VAL 125 125 31025 1 . VAL 126 126 31025 1 . HIS 127 127 31025 1 . GLN 128 128 31025 1 . GLU 129 129 31025 1 . PRO 130 130 31025 1 . PHE 131 131 31025 1 . VAL 132 132 31025 1 . PRO 133 133 31025 1 . LYS 134 134 31025 1 . LYS 135 135 31025 1 . GLU 136 136 31025 1 . ASN 137 137 31025 1 . ARG 138 138 31025 1 . SER 139 139 31025 1 . LEU 140 140 31025 1 . THR 141 141 31025 1 . GLU 142 142 31025 1 . SER 143 143 31025 1 . LEU 144 144 31025 1 . SER 145 145 31025 1 . GLY 146 146 31025 1 . SER 147 147 31025 1 . ILE 148 148 31025 1 . VAL 149 149 31025 1 . GLN 150 150 31025 1 . GLU 151 151 31025 1 . GLY 152 152 31025 1 . PHE 153 153 31025 1 . GLU 154 154 31025 1 . LEU 155 155 31025 1 . ALA 156 156 31025 1 . THR 157 157 31025 1 . ALA 158 158 31025 1 . LYS 159 159 31025 1 . ARG 160 160 31025 1 . ALA 161 161 31025 1 . LYS 162 162 31025 1 . GLU 163 163 31025 1 . ARG 164 164 31025 1 . GLN 165 165 31025 1 . GLU 166 166 31025 1 . PHE 167 167 31025 1 . ASP 168 168 31025 1 . LYS 169 169 31025 1 . CYS 170 170 31025 1 . LEU 171 171 31025 1 . ALA 172 172 31025 1 . GLU 173 173 31025 1 . THR 174 174 31025 1 . GLU 175 175 31025 1 . ALA 176 176 31025 1 . GLN 177 177 31025 1 . LYS 178 178 31025 1 . SER 179 179 31025 1 . LEU 180 180 31025 1 . LEU 181 181 31025 1 . GLU 182 182 31025 1 . GLU 183 183 31025 1 . GLU 184 184 31025 1 . ILE 185 185 31025 1 . ARG 186 186 31025 1 . LYS 187 187 31025 1 . ARG 188 188 31025 1 . ARG 189 189 31025 1 . GLU 190 190 31025 1 . GLU 191 191 31025 1 . GLU 192 192 31025 1 . GLU 193 193 31025 1 . LYS 194 194 31025 1 . GLU 195 195 31025 1 . GLU 196 196 31025 1 . ILE 197 197 31025 1 . SER 198 198 31025 1 . GLN 199 199 31025 1 . LEU 200 200 31025 1 . ARG 201 201 31025 1 . GLN 202 202 31025 1 . GLU 203 203 31025 1 . LEU 204 204 31025 1 . VAL 205 205 31025 1 . HIS 206 206 31025 1 . LYS 207 207 31025 1 . ALA 208 208 31025 1 . LYS 209 209 31025 1 . PRO 210 210 31025 1 . ILE 211 211 31025 1 . ARG 212 212 31025 1 . LYS 213 213 31025 1 . TYR 214 214 31025 1 . ARG 215 215 31025 1 . ALA 216 216 31025 1 . VAL 217 217 31025 1 . GLU 218 218 31025 1 . VAL 219 219 31025 1 . LYS 220 220 31025 1 . ALA 221 221 31025 1 . SER 222 222 31025 1 . ASP 223 223 31025 1 . VAL 224 224 31025 1 . PRO 225 225 31025 1 . LEU 226 226 31025 1 . THR 227 227 31025 1 . VAL 228 228 31025 1 . PRO 229 229 31025 1 . ARG 230 230 31025 1 . SER 231 231 31025 1 . PRO 232 232 31025 1 . ASN 233 233 31025 1 . PHE 234 234 31025 1 . SER 235 235 31025 1 . ASP 236 236 31025 1 . ARG 237 237 31025 1 . PHE 238 238 31025 1 . LYS 239 239 31025 1 . CYS 240 240 31025 1 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 31025 _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 . 8355 organism . 'Xenopus laevis' 'African clawed frog' . . Eukaryota Metazoa Xenopus laevis . . . . . . . . . . . tpx2-a . 31025 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 31025 _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' . . 562 Escherichia coli 'Rosetta 2' . . 9GFP . . . . . . 31025 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31025 _Sample.ID 1 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details '1.5 mM U-13C,15N TPX2a5-7, 100 uM Microtubules, 25 mM phosphate buffer in 100% H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '25 mM phosphate buffer in 100% H2O' _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 TPX2a5-7 '[U-13C; U-15N]' . . 1 $entity_1 . . 1.5 . . mM 0.2 . . . 31025 1 2 Microtubules 'natural abundance' . . . . . . 100 . . uM 10 . . . 31025 1 3 phosphate 'natural abundance' . . . . . . 100 . . mM . . . . 31025 1 4 MgCl2 'natural abundance' . . . . . . 100 . . mM . . . . 31025 1 5 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 31025 1 6 EGTA 'natural abundance' . . . . . . 100 . . mM . . . . 31025 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31025 _Sample.ID 2 _Sample.Name . _Sample.Type solid _Sample.Sub_type . _Sample.Details '1.5 mM U-13C,15N,D; 100% back-exchanged TPX2a5-7, 100 uM Microtubules, 25 mM phosphate buffer in 100% H2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '25 mM phosphate buffer in 100% H2O' _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 TPX2a5-7 '[U-13C; U-15N, D; 100% back-exchanged]' . . 1 $entity_1 . . 1.5 . . mM 0.2 . . . 31025 2 2 Microtubules 'natural abundance' . . . . . . 100 . . uM 10 . . . 31025 2 3 phosphate 'natural abundance' . . . . . . 100 . . mM . . . . 31025 2 4 MgCl2 'natural abundance' . . . . . . 100 . . mM . . . . 31025 2 5 DTT 'natural abundance' . . . . . . 100 . . mM . . . . 31025 2 6 EGTA 'natural abundance' . . . . . . 100 . . mM . . . . 31025 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 31025 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '25 mM phosphate, 8 mM MgCl2, 1mM DTT, 1mM EGTA' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 31025 1 pressure 1 . atm 31025 1 temperature 276 . K 31025 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 31025 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _Sample_condition_list.Details '25 mM phosphate, 8 mM MgCl2, 1mM DTT, 1mM EGTA' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 31025 2 pressure 1 . atm 31025 2 temperature 283 . K 31025 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 31025 _Sample_condition_list.ID 3 _Sample_condition_list.Name . _Sample_condition_list.Details '25 mM phosphate, 8 mM MgCl2, 1mM DTT, 1mM EGTA' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 31025 3 pressure 1 . atm 31025 3 temperature 285 . K 31025 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 31025 _Sample_condition_list.ID 4 _Sample_condition_list.Name . _Sample_condition_list.Details '25 mM phosphate, 8 mM MgCl2, 1mM DTT, 1mM EGTA' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 31025 4 pressure 1 . atm 31025 4 temperature 288 . K 31025 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 31025 _Sample_condition_list.ID 5 _Sample_condition_list.Name . _Sample_condition_list.Details '25 mM phosphate, 8 mM MgCl2, 1mM DTT, 1mM EGTA' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 . pH 31025 5 pressure 1 . atm 31025 5 temperature 288 . K 31025 5 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31025 _Software.ID 1 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31025 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31025 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31025 _Software.ID 2 _Software.Type . _Software.Name NMRDraw _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31025 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31025 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31025 _Software.ID 3 _Software.Type . _Software.Name 'MestreLab (Mnova / MestReNova / MestReC)' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID MestreLab . . 31025 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31025 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31025 _Software.ID 4 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 31025 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31025 4 'peak picking' . 31025 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31025 _Software.ID 5 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 31025 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31025 5 'structure calculation' . 31025 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 31025 _Software.ID 6 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 31025 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31025 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 31025 _Software.ID 7 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 31025 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'data analysis' . 31025 7 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 31025 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Bruker Avance III HD console' _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model VARIAN _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31025 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'Bruker Avance III HD console; Bruker MAS III unit' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III HD' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 31025 _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 NMR_spectrometer_1 Agilent VARIAN . 600 . . . 31025 1 2 NMR_spectrometer_2 Bruker 'AVANCE III HD' . 850 . . . 31025 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 31025 _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 NH HETCOR' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31025 1 2 '2D CH HETCOR' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31025 1 3 '3D (H)CANH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31025 1 4 '3D (H)(CO)CA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31025 1 5 '3D (H)CONH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31025 1 6 '2D RFDR 2.4 ms' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31025 1 7 '2D CORD (200ms mixing)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 8 '2D CORD (50ms mixing)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 9 '2D CH HETCOR' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 4 $sample_conditions_4 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31025 1 10 '2D CH HETCOR' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31025 1 11 '2D CH HETCOR (2.8 ms/2.7 ms CP)' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31025 1 12 '2D CH HETCOR (2.1 ms/2.1 ms CP)' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 3 $sample_conditions_3 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31025 1 13 '2D CH HETCOR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 14 '2D CH HETCOR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 15 '2D HN HETCOR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 16 '2D NCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 17 '2D RFDR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 18 '2D NCACX' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 19 '2D CORD (200ms mixing)' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 20 '2D RFDR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 21 '3D (H)CONH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 22 '3D (H)CANH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 23 '2D NH HETCOR' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 1 24 '2D NCOCX' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31025 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 31025 _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 adamantane 'methylene carbons' . . . . ppm 40.48 external direct 1.0 . . . . . 31025 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 external direct 1.0 . . . . . 31025 1 N 15 '[15N] ammonium chloride' nitrogen . . . . ppm 39.3 external direct 1.0 . . . . . 31025 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 31025 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D NH HETCOR' . . . 31025 1 2 '2D CH HETCOR' . . . 31025 1 3 '3D (H)CANH' . . . 31025 1 4 '3D (H)(CO)CA(CO)NH' . . . 31025 1 5 '3D (H)CONH' . . . 31025 1 6 '2D RFDR 2.4 ms' . . . 31025 1 7 '2D CORD (200ms mixing)' . . . 31025 1 8 '2D CORD (50ms mixing)' . . . 31025 1 9 '2D CH HETCOR' . . . 31025 1 10 '2D CH HETCOR' . . . 31025 1 11 '2D CH HETCOR (2.8 ms/2.7 ms CP)' . . . 31025 1 12 '2D CH HETCOR (2.1 ms/2.1 ms CP)' . . . 31025 1 13 '2D CH HETCOR' . . . 31025 1 14 '2D CH HETCOR' . . . 31025 1 15 '2D HN HETCOR' . . . 31025 1 16 '2D NCA' . . . 31025 1 17 '2D RFDR' . . . 31025 1 18 '2D NCACX' . . . 31025 1 19 '2D CORD (200ms mixing)' . . . 31025 1 20 '2D RFDR' . . . 31025 1 21 '3D (H)CONH' . . . 31025 1 22 '3D (H)CANH' . . . 31025 1 23 '2D NH HETCOR' . . . 31025 1 24 '2D NCOCX' . . . 31025 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 2 2 PRO C C 13 177.546 0.000 . . . . . . A 478 PRO C . 31025 1 2 . 1 . 1 2 2 PRO CA C 13 64.470 0.000 . . . . . . A 478 PRO CA . 31025 1 3 . 1 . 1 3 3 VAL H H 1 9.638 0.000 . . . . . . A 479 VAL H . 31025 1 4 . 1 . 1 3 3 VAL C C 13 178.825 0.000 . . . . . . A 479 VAL C . 31025 1 5 . 1 . 1 3 3 VAL CA C 13 60.578 0.000 . . . . . . A 479 VAL CA . 31025 1 6 . 1 . 1 3 3 VAL N N 15 124.264 0.000 . . . . . . A 479 VAL N . 31025 1 7 . 1 . 1 4 4 ILE H H 1 9.044 0.000 . . . . . . A 480 ILE H . 31025 1 8 . 1 . 1 4 4 ILE CA C 13 59.957 0.000 . . . . . . A 480 ILE CA . 31025 1 9 . 1 . 1 4 4 ILE CB C 13 42.141 0.000 . . . . . . A 480 ILE CB . 31025 1 10 . 1 . 1 4 4 ILE CG1 C 13 27.738 0.000 . . . . . . A 480 ILE CG1 . 31025 1 11 . 1 . 1 4 4 ILE CG2 C 13 17.813 0.000 . . . . . . A 480 ILE CG2 . 31025 1 12 . 1 . 1 4 4 ILE N N 15 124.988 0.000 . . . . . . A 480 ILE N . 31025 1 13 . 1 . 1 5 5 LYS H H 1 9.432 0.000 . . . . . . A 481 LYS H . 31025 1 14 . 1 . 1 5 5 LYS C C 13 179.358 0.000 . . . . . . A 481 LYS C . 31025 1 15 . 1 . 1 5 5 LYS CA C 13 57.441 0.000 . . . . . . A 481 LYS CA . 31025 1 16 . 1 . 1 5 5 LYS N N 15 119.140 0.000 . . . . . . A 481 LYS N . 31025 1 17 . 1 . 1 6 6 ALA H H 1 9.347 0.000 . . . . . . A 482 ALA H . 31025 1 18 . 1 . 1 6 6 ALA C C 13 177.024 0.000 . . . . . . A 482 ALA C . 31025 1 19 . 1 . 1 6 6 ALA CA C 13 50.259 0.000 . . . . . . A 482 ALA CA . 31025 1 20 . 1 . 1 6 6 ALA CB C 13 21.540 0.000 . . . . . . A 482 ALA CB . 31025 1 21 . 1 . 1 6 6 ALA N N 15 122.929 0.000 . . . . . . A 482 ALA N . 31025 1 22 . 1 . 1 7 7 THR H H 1 9.004 0.000 . . . . . . A 483 THR H . 31025 1 23 . 1 . 1 7 7 THR C C 13 178.989 0.000 . . . . . . A 483 THR C . 31025 1 24 . 1 . 1 7 7 THR CA C 13 62.426 0.000 . . . . . . A 483 THR CA . 31025 1 25 . 1 . 1 7 7 THR CB C 13 71.648 0.000 . . . . . . A 483 THR CB . 31025 1 26 . 1 . 1 7 7 THR CG2 C 13 22.229 0.000 . . . . . . A 483 THR CG2 . 31025 1 27 . 1 . 1 7 7 THR N N 15 119.772 0.000 . . . . . . A 483 THR N . 31025 1 28 . 1 . 1 8 8 ARG H H 1 8.916 0.000 . . . . . . A 484 ARG H . 31025 1 29 . 1 . 1 8 8 ARG CA C 13 55.346 0.000 . . . . . . A 484 ARG CA . 31025 1 30 . 1 . 1 8 8 ARG N N 15 120.632 0.000 . . . . . . A 484 ARG N . 31025 1 31 . 1 . 1 10 10 PRO CA C 13 62.786 0.000 . . . . . . A 486 PRO CA . 31025 1 32 . 1 . 1 10 10 PRO CG C 13 27.642 0.000 . . . . . . A 486 PRO CG . 31025 1 33 . 1 . 1 11 11 HIS C C 13 178.574 0.000 . . . . . . A 487 HIS C . 31025 1 34 . 1 . 1 11 11 HIS CA C 13 60.190 0.000 . . . . . . A 487 HIS CA . 31025 1 35 . 1 . 1 11 11 HIS CB C 13 30.838 0.000 . . . . . . A 487 HIS CB . 31025 1 36 . 1 . 1 11 11 HIS CG C 13 133.358 0.000 . . . . . . A 487 HIS CG . 31025 1 37 . 1 . 1 11 11 HIS CD2 C 13 120.789 0.000 . . . . . . A 487 HIS CD2 . 31025 1 38 . 1 . 1 11 11 HIS CE1 C 13 137.777 0.000 . . . . . . A 487 HIS CE1 . 31025 1 39 . 1 . 1 12 12 TYR H H 1 8.479 0.000 . . . . . . A 488 TYR H . 31025 1 40 . 1 . 1 12 12 TYR C C 13 175.236 0.000 . . . . . . A 488 TYR C . 31025 1 41 . 1 . 1 12 12 TYR CA C 13 56.395 0.000 . . . . . . A 488 TYR CA . 31025 1 42 . 1 . 1 12 12 TYR CB C 13 39.581 0.000 . . . . . . A 488 TYR CB . 31025 1 43 . 1 . 1 12 12 TYR CG C 13 130.682 0.000 . . . . . . A 488 TYR CG . 31025 1 44 . 1 . 1 12 12 TYR CD1 C 13 134.140 0.000 . . . . . . A 488 TYR CD1 . 31025 1 45 . 1 . 1 12 12 TYR CE1 C 13 120.076 0.000 . . . . . . A 488 TYR CE1 . 31025 1 46 . 1 . 1 12 12 TYR N N 15 119.415 0.000 . . . . . . A 488 TYR N . 31025 1 47 . 1 . 1 13 13 GLY H H 1 9.149 0.000 . . . . . . A 489 GLY H . 31025 1 48 . 1 . 1 13 13 GLY C C 13 174.171 0.000 . . . . . . A 489 GLY C . 31025 1 49 . 1 . 1 13 13 GLY CA C 13 46.474 0.000 . . . . . . A 489 GLY CA . 31025 1 50 . 1 . 1 13 13 GLY N N 15 111.448 0.000 . . . . . . A 489 GLY N . 31025 1 51 . 1 . 1 14 14 VAL CA C 13 60.645 0.000 . . . . . . A 490 VAL CA . 31025 1 52 . 1 . 1 14 14 VAL CB C 13 35.516 0.000 . . . . . . A 490 VAL CB . 31025 1 53 . 1 . 1 14 14 VAL N N 15 118.607 0.000 . . . . . . A 490 VAL N . 31025 1 54 . 1 . 1 15 15 PRO C C 13 175.296 0.000 . . . . . . A 491 PRO C . 31025 1 55 . 1 . 1 15 15 PRO CA C 13 60.193 0.000 . . . . . . A 491 PRO CA . 31025 1 56 . 1 . 1 15 15 PRO CB C 13 33.133 0.000 . . . . . . A 491 PRO CB . 31025 1 57 . 1 . 1 16 16 PHE H H 1 8.709 0.000 . . . . . . A 492 PHE H . 31025 1 58 . 1 . 1 16 16 PHE CA C 13 62.493 0.000 . . . . . . A 492 PHE CA . 31025 1 59 . 1 . 1 16 16 PHE CB C 13 38.124 0.000 . . . . . . A 492 PHE CB . 31025 1 60 . 1 . 1 16 16 PHE CG C 13 139.233 0.000 . . . . . . A 492 PHE CG . 31025 1 61 . 1 . 1 16 16 PHE CD1 C 13 133.894 0.000 . . . . . . A 492 PHE CD1 . 31025 1 62 . 1 . 1 16 16 PHE CE1 C 13 132.728 0.000 . . . . . . A 492 PHE CE1 . 31025 1 63 . 1 . 1 16 16 PHE CZ C 13 127.383 0.000 . . . . . . A 492 PHE CZ . 31025 1 64 . 1 . 1 16 16 PHE N N 15 123.053 0.000 . . . . . . A 492 PHE N . 31025 1 65 . 1 . 1 17 17 LYS H H 1 9.580 0.000 . . . . . . A 493 LYS H . 31025 1 66 . 1 . 1 17 17 LYS CA C 13 56.240 0.000 . . . . . . A 493 LYS CA . 31025 1 67 . 1 . 1 17 17 LYS CE C 13 40.844 0.000 . . . . . . A 493 LYS CE . 31025 1 68 . 1 . 1 17 17 LYS N N 15 120.998 0.000 . . . . . . A 493 LYS N . 31025 1 69 . 1 . 1 19 19 LYS C C 13 178.515 0.000 . . . . . . A 495 LYS C . 31025 1 70 . 1 . 1 20 20 LEU H H 1 8.744 0.000 . . . . . . A 496 LEU H . 31025 1 71 . 1 . 1 20 20 LEU C C 13 175.918 0.000 . . . . . . A 496 LEU C . 31025 1 72 . 1 . 1 20 20 LEU CA C 13 54.712 0.000 . . . . . . A 496 LEU CA . 31025 1 73 . 1 . 1 20 20 LEU N N 15 125.651 0.000 . . . . . . A 496 LEU N . 31025 1 74 . 1 . 1 21 21 VAL H H 1 9.268 0.000 . . . . . . A 497 VAL H . 31025 1 75 . 1 . 1 21 21 VAL C C 13 175.531 0.000 . . . . . . A 497 VAL C . 31025 1 76 . 1 . 1 21 21 VAL CA C 13 62.853 0.000 . . . . . . A 497 VAL CA . 31025 1 77 . 1 . 1 21 21 VAL CB C 13 36.230 0.000 . . . . . . A 497 VAL CB . 31025 1 78 . 1 . 1 21 21 VAL CG2 C 13 21.047 0.000 . . . . . . A 497 VAL CG2 . 31025 1 79 . 1 . 1 21 21 VAL N N 15 126.299 0.000 . . . . . . A 497 VAL N . 31025 1 80 . 1 . 1 22 22 GLU H H 1 8.779 0.000 . . . . . . A 498 GLU H . 31025 1 81 . 1 . 1 22 22 GLU C C 13 177.159 0.000 . . . . . . A 498 GLU C . 31025 1 82 . 1 . 1 22 22 GLU CA C 13 59.461 0.000 . . . . . . A 498 GLU CA . 31025 1 83 . 1 . 1 22 22 GLU N N 15 117.788 0.000 . . . . . . A 498 GLU N . 31025 1 84 . 1 . 1 23 23 GLN H H 1 8.761 0.000 . . . . . . A 499 GLN H . 31025 1 85 . 1 . 1 23 23 GLN C C 13 179.003 0.000 . . . . . . A 499 GLN C . 31025 1 86 . 1 . 1 23 23 GLN CA C 13 55.048 0.000 . . . . . . A 499 GLN CA . 31025 1 87 . 1 . 1 23 23 GLN N N 15 121.591 0.000 . . . . . . A 499 GLN N . 31025 1 88 . 1 . 1 24 24 ARG H H 1 8.795 0.000 . . . . . . A 500 ARG H . 31025 1 89 . 1 . 1 24 24 ARG C C 13 176.581 0.000 . . . . . . A 500 ARG C . 31025 1 90 . 1 . 1 24 24 ARG CA C 13 56.472 0.000 . . . . . . A 500 ARG CA . 31025 1 91 . 1 . 1 24 24 ARG N N 15 123.024 0.000 . . . . . . A 500 ARG N . 31025 1 92 . 1 . 1 25 25 GLN H H 1 9.269 0.000 . . . . . . A 501 GLN H . 31025 1 93 . 1 . 1 25 25 GLN C C 13 176.671 0.000 . . . . . . A 501 GLN C . 31025 1 94 . 1 . 1 25 25 GLN CA C 13 55.946 0.000 . . . . . . A 501 GLN CA . 31025 1 95 . 1 . 1 25 25 GLN N N 15 118.650 0.000 . . . . . . A 501 GLN N . 31025 1 96 . 1 . 1 26 26 VAL H H 1 9.438 0.000 . . . . . . A 502 VAL H . 31025 1 97 . 1 . 1 26 26 VAL C C 13 178.657 0.000 . . . . . . A 502 VAL C . 31025 1 98 . 1 . 1 26 26 VAL CA C 13 60.985 0.000 . . . . . . A 502 VAL CA . 31025 1 99 . 1 . 1 26 26 VAL N N 15 119.870 0.000 . . . . . . A 502 VAL N . 31025 1 100 . 1 . 1 27 27 ASP H H 1 8.892 0.000 . . . . . . A 503 ASP H . 31025 1 101 . 1 . 1 27 27 ASP C C 13 177.674 0.000 . . . . . . A 503 ASP C . 31025 1 102 . 1 . 1 27 27 ASP CA C 13 54.806 0.000 . . . . . . A 503 ASP CA . 31025 1 103 . 1 . 1 27 27 ASP N N 15 117.281 0.000 . . . . . . A 503 ASP N . 31025 1 104 . 1 . 1 28 28 VAL H H 1 9.118 0.000 . . . . . . A 504 VAL H . 31025 1 105 . 1 . 1 28 28 VAL C C 13 176.977 0.000 . . . . . . A 504 VAL C . 31025 1 106 . 1 . 1 28 28 VAL CA C 13 60.428 0.000 . . . . . . A 504 VAL CA . 31025 1 107 . 1 . 1 29 29 CYS H H 1 8.774 0.000 . . . . . . A 505 CYS H . 31025 1 108 . 1 . 1 29 29 CYS CA C 13 55.425 0.000 . . . . . . A 505 CYS CA . 31025 1 109 . 1 . 1 29 29 CYS N N 15 123.018 0.000 . . . . . . A 505 CYS N . 31025 1 110 . 1 . 1 30 30 PRO CB C 13 32.469 0.000 . . . . . . A 506 PRO CB . 31025 1 111 . 1 . 1 31 31 PHE C C 13 175.241 0.000 . . . . . . A 507 PHE C . 31025 1 112 . 1 . 1 31 31 PHE CG C 13 137.398 0.000 . . . . . . A 507 PHE CG . 31025 1 113 . 1 . 1 31 31 PHE CD1 C 13 132.389 0.000 . . . . . . A 507 PHE CD1 . 31025 1 114 . 1 . 1 32 32 SER H H 1 9.549 0.000 . . . . . . A 508 SER H . 31025 1 115 . 1 . 1 32 32 SER C C 13 177.547 0.000 . . . . . . A 508 SER C . 31025 1 116 . 1 . 1 32 32 SER CA C 13 55.869 0.000 . . . . . . A 508 SER CA . 31025 1 117 . 1 . 1 32 32 SER CB C 13 62.616 0.000 . . . . . . A 508 SER CB . 31025 1 118 . 1 . 1 32 32 SER N N 15 116.192 0.000 . . . . . . A 508 SER N . 31025 1 119 . 1 . 1 33 33 PHE H H 1 9.776 0.000 . . . . . . A 509 PHE H . 31025 1 120 . 1 . 1 33 33 PHE CA C 13 59.181 0.000 . . . . . . A 509 PHE CA . 31025 1 121 . 1 . 1 33 33 PHE CB C 13 39.553 0.000 . . . . . . A 509 PHE CB . 31025 1 122 . 1 . 1 33 33 PHE CG C 13 138.892 0.000 . . . . . . A 509 PHE CG . 31025 1 123 . 1 . 1 33 33 PHE CD1 C 13 133.679 0.000 . . . . . . A 509 PHE CD1 . 31025 1 124 . 1 . 1 33 33 PHE CE1 C 13 130.694 0.000 . . . . . . A 509 PHE CE1 . 31025 1 125 . 1 . 1 33 33 PHE CZ C 13 128.370 0.000 . . . . . . A 509 PHE CZ . 31025 1 126 . 1 . 1 33 33 PHE N N 15 128.431 0.000 . . . . . . A 509 PHE N . 31025 1 127 . 1 . 1 36 36 ARG C C 13 176.918 0.000 . . . . . . A 512 ARG C . 31025 1 128 . 1 . 1 37 37 ASP H H 1 9.548 0.000 . . . . . . A 513 ASP H . 31025 1 129 . 1 . 1 37 37 ASP CA C 13 54.081 0.000 . . . . . . A 513 ASP CA . 31025 1 130 . 1 . 1 37 37 ASP CB C 13 41.138 0.000 . . . . . . A 513 ASP CB . 31025 1 131 . 1 . 1 37 37 ASP N N 15 119.812 0.000 . . . . . . A 513 ASP N . 31025 1 132 . 1 . 1 38 38 LYS H H 1 8.270 0.000 . . . . . . A 514 LYS H . 31025 1 133 . 1 . 1 38 38 LYS C C 13 174.368 0.000 . . . . . . A 514 LYS C . 31025 1 134 . 1 . 1 38 38 LYS CA C 13 59.569 0.000 . . . . . . A 514 LYS CA . 31025 1 135 . 1 . 1 38 38 LYS N N 15 118.758 0.000 . . . . . . A 514 LYS N . 31025 1 136 . 1 . 1 39 39 GLU H H 1 7.789 0.000 . . . . . . A 515 GLU H . 31025 1 137 . 1 . 1 39 39 GLU C C 13 174.292 0.000 . . . . . . A 515 GLU C . 31025 1 138 . 1 . 1 39 39 GLU CA C 13 58.307 0.000 . . . . . . A 515 GLU CA . 31025 1 139 . 1 . 1 39 39 GLU CG C 13 36.426 0.000 . . . . . . A 515 GLU CG . 31025 1 140 . 1 . 1 39 39 GLU N N 15 119.889 0.000 . . . . . . A 515 GLU N . 31025 1 141 . 1 . 1 40 40 ARG C C 13 179.243 0.000 . . . . . . A 516 ARG C . 31025 1 142 . 1 . 1 40 40 ARG CA C 13 60.531 0.000 . . . . . . A 516 ARG CA . 31025 1 143 . 1 . 1 40 40 ARG N N 15 121.159 0.000 . . . . . . A 516 ARG N . 31025 1 144 . 1 . 1 41 41 GLN H H 1 8.833 0.000 . . . . . . A 517 GLN H . 31025 1 145 . 1 . 1 41 41 GLN C C 13 176.485 0.000 . . . . . . A 517 GLN C . 31025 1 146 . 1 . 1 41 41 GLN CA C 13 59.297 0.000 . . . . . . A 517 GLN CA . 31025 1 147 . 1 . 1 41 41 GLN CG C 13 34.443 0.000 . . . . . . A 517 GLN CG . 31025 1 148 . 1 . 1 41 41 GLN N N 15 118.673 0.000 . . . . . . A 517 GLN N . 31025 1 149 . 1 . 1 42 42 LEU H H 1 8.280 0.000 . . . . . . A 518 LEU H . 31025 1 150 . 1 . 1 42 42 LEU C C 13 177.050 0.000 . . . . . . A 518 LEU C . 31025 1 151 . 1 . 1 42 42 LEU CA C 13 54.913 0.000 . . . . . . A 518 LEU CA . 31025 1 152 . 1 . 1 42 42 LEU CB C 13 44.816 0.000 . . . . . . A 518 LEU CB . 31025 1 153 . 1 . 1 42 42 LEU N N 15 121.536 0.000 . . . . . . A 518 LEU N . 31025 1 154 . 1 . 1 43 43 GLN H H 1 8.630 0.000 . . . . . . A 519 GLN H . 31025 1 155 . 1 . 1 43 43 GLN C C 13 177.565 0.000 . . . . . . A 519 GLN C . 31025 1 156 . 1 . 1 43 43 GLN CA C 13 59.683 0.000 . . . . . . A 519 GLN CA . 31025 1 157 . 1 . 1 43 43 GLN N N 15 118.849 0.000 . . . . . . A 519 GLN N . 31025 1 158 . 1 . 1 44 44 LYS H H 1 8.631 0.000 . . . . . . A 520 LYS H . 31025 1 159 . 1 . 1 44 44 LYS C C 13 174.842 0.000 . . . . . . A 520 LYS C . 31025 1 160 . 1 . 1 44 44 LYS CA C 13 55.306 0.000 . . . . . . A 520 LYS CA . 31025 1 161 . 1 . 1 44 44 LYS CG C 13 25.053 0.000 . . . . . . A 520 LYS CG . 31025 1 162 . 1 . 1 44 44 LYS N N 15 120.091 0.000 . . . . . . A 520 LYS N . 31025 1 163 . 1 . 1 45 45 GLU H H 1 8.667 0.000 . . . . . . A 521 GLU H . 31025 1 164 . 1 . 1 45 45 GLU C C 13 175.505 0.000 . . . . . . A 521 GLU C . 31025 1 165 . 1 . 1 45 45 GLU CA C 13 59.492 0.000 . . . . . . A 521 GLU CA . 31025 1 166 . 1 . 1 45 45 GLU CB C 13 29.129 0.000 . . . . . . A 521 GLU CB . 31025 1 167 . 1 . 1 45 45 GLU CG C 13 36.576 0.000 . . . . . . A 521 GLU CG . 31025 1 168 . 1 . 1 45 45 GLU N N 15 118.452 0.000 . . . . . . A 521 GLU N . 31025 1 169 . 1 . 1 46 46 LYS H H 1 8.230 0.000 . . . . . . A 522 LYS H . 31025 1 170 . 1 . 1 46 46 LYS CA C 13 59.102 0.000 . . . . . . A 522 LYS CA . 31025 1 171 . 1 . 1 46 46 LYS N N 15 119.121 0.000 . . . . . . A 522 LYS N . 31025 1 172 . 1 . 1 47 47 ARG H H 1 7.951 0.000 . . . . . . A 523 ARG H . 31025 1 173 . 1 . 1 47 47 ARG CA C 13 60.002 0.000 . . . . . . A 523 ARG CA . 31025 1 174 . 1 . 1 47 47 ARG N N 15 119.704 0.000 . . . . . . A 523 ARG N . 31025 1 175 . 1 . 1 48 48 LEU H H 1 9.209 0.000 . . . . . . A 524 LEU H . 31025 1 176 . 1 . 1 48 48 LEU CA C 13 51.305 0.000 . . . . . . A 524 LEU CA . 31025 1 177 . 1 . 1 48 48 LEU CB C 13 47.609 0.000 . . . . . . A 524 LEU CB . 31025 1 178 . 1 . 1 48 48 LEU CG C 13 26.230 0.000 . . . . . . A 524 LEU CG . 31025 1 179 . 1 . 1 48 48 LEU N N 15 123.851 0.000 . . . . . . A 524 LEU N . 31025 1 180 . 1 . 1 49 49 ASP H H 1 8.141 0.000 . . . . . . A 525 ASP H . 31025 1 181 . 1 . 1 49 49 ASP C C 13 178.381 0.000 . . . . . . A 525 ASP C . 31025 1 182 . 1 . 1 49 49 ASP CA C 13 51.843 0.000 . . . . . . A 525 ASP CA . 31025 1 183 . 1 . 1 49 49 ASP CB C 13 39.355 0.000 . . . . . . A 525 ASP CB . 31025 1 184 . 1 . 1 49 49 ASP N N 15 117.653 0.000 . . . . . . A 525 ASP N . 31025 1 185 . 1 . 1 50 50 GLU H H 1 9.234 0.000 . . . . . . A 526 GLU H . 31025 1 186 . 1 . 1 50 50 GLU C C 13 177.449 0.000 . . . . . . A 526 GLU C . 31025 1 187 . 1 . 1 50 50 GLU CA C 13 60.363 0.000 . . . . . . A 526 GLU CA . 31025 1 188 . 1 . 1 50 50 GLU N N 15 120.250 0.000 . . . . . . A 526 GLU N . 31025 1 189 . 1 . 1 51 51 LEU H H 1 8.682 0.000 . . . . . . A 527 LEU H . 31025 1 190 . 1 . 1 51 51 LEU CA C 13 54.781 0.000 . . . . . . A 527 LEU CA . 31025 1 191 . 1 . 1 51 51 LEU N N 15 123.447 0.000 . . . . . . A 527 LEU N . 31025 1 192 . 1 . 1 52 52 ARG H H 1 8.818 0.000 . . . . . . A 528 ARG H . 31025 1 193 . 1 . 1 52 52 ARG C C 13 174.175 0.000 . . . . . . A 528 ARG C . 31025 1 194 . 1 . 1 52 52 ARG CA C 13 57.025 0.000 . . . . . . A 528 ARG CA . 31025 1 195 . 1 . 1 52 52 ARG N N 15 121.196 0.000 . . . . . . A 528 ARG N . 31025 1 196 . 1 . 1 53 53 LYS H H 1 8.382 0.000 . . . . . . A 529 LYS H . 31025 1 197 . 1 . 1 53 53 LYS C C 13 175.744 0.000 . . . . . . A 529 LYS C . 31025 1 198 . 1 . 1 53 53 LYS CA C 13 56.385 0.000 . . . . . . A 529 LYS CA . 31025 1 199 . 1 . 1 53 53 LYS N N 15 119.828 0.000 . . . . . . A 529 LYS N . 31025 1 200 . 1 . 1 54 54 ASP H H 1 8.651 0.000 . . . . . . A 530 ASP H . 31025 1 201 . 1 . 1 54 54 ASP C C 13 177.116 0.000 . . . . . . A 530 ASP C . 31025 1 202 . 1 . 1 54 54 ASP CA C 13 55.466 0.000 . . . . . . A 530 ASP CA . 31025 1 203 . 1 . 1 54 54 ASP CB C 13 40.263 0.000 . . . . . . A 530 ASP CB . 31025 1 204 . 1 . 1 54 54 ASP N N 15 122.051 0.000 . . . . . . A 530 ASP N . 31025 1 205 . 1 . 1 55 55 GLU H H 1 9.465 0.000 . . . . . . A 531 GLU H . 31025 1 206 . 1 . 1 55 55 GLU C C 13 177.077 0.000 . . . . . . A 531 GLU C . 31025 1 207 . 1 . 1 55 55 GLU CA C 13 55.109 0.000 . . . . . . A 531 GLU CA . 31025 1 208 . 1 . 1 55 55 GLU CB C 13 29.976 0.000 . . . . . . A 531 GLU CB . 31025 1 209 . 1 . 1 55 55 GLU CG C 13 36.781 0.000 . . . . . . A 531 GLU CG . 31025 1 210 . 1 . 1 55 55 GLU N N 15 121.838 0.000 . . . . . . A 531 GLU N . 31025 1 211 . 1 . 1 56 56 VAL H H 1 9.459 0.000 . . . . . . A 532 VAL H . 31025 1 212 . 1 . 1 56 56 VAL CA C 13 60.987 0.000 . . . . . . A 532 VAL CA . 31025 1 213 . 1 . 1 56 56 VAL CB C 13 32.841 0.000 . . . . . . A 532 VAL CB . 31025 1 214 . 1 . 1 56 56 VAL CG1 C 13 21.370 0.000 . . . . . . A 532 VAL CG1 . 31025 1 215 . 1 . 1 56 56 VAL CG2 C 13 20.928 0.000 . . . . . . A 532 VAL CG2 . 31025 1 216 . 1 . 1 56 56 VAL N N 15 123.804 0.000 . . . . . . A 532 VAL N . 31025 1 217 . 1 . 1 57 57 PRO C C 13 177.795 0.000 . . . . . . A 533 PRO C . 31025 1 218 . 1 . 1 57 57 PRO CA C 13 63.241 0.000 . . . . . . A 533 PRO CA . 31025 1 219 . 1 . 1 57 57 PRO CG C 13 27.005 0.000 . . . . . . A 533 PRO CG . 31025 1 220 . 1 . 1 57 57 PRO CD C 13 50.122 0.000 . . . . . . A 533 PRO CD . 31025 1 221 . 1 . 1 58 58 LYS H H 1 8.527 0.000 . . . . . . A 534 LYS H . 31025 1 222 . 1 . 1 58 58 LYS C C 13 177.448 0.000 . . . . . . A 534 LYS C . 31025 1 223 . 1 . 1 58 58 LYS CA C 13 56.357 0.000 . . . . . . A 534 LYS CA . 31025 1 224 . 1 . 1 58 58 LYS CG C 13 25.165 0.000 . . . . . . A 534 LYS CG . 31025 1 225 . 1 . 1 58 58 LYS N N 15 120.263 0.000 . . . . . . A 534 LYS N . 31025 1 226 . 1 . 1 59 59 PHE H H 1 9.586 0.000 . . . . . . A 535 PHE H . 31025 1 227 . 1 . 1 59 59 PHE C C 13 178.507 0.000 . . . . . . A 535 PHE C . 31025 1 228 . 1 . 1 59 59 PHE CA C 13 60.679 0.000 . . . . . . A 535 PHE CA . 31025 1 229 . 1 . 1 59 59 PHE CB C 13 39.168 0.000 . . . . . . A 535 PHE CB . 31025 1 230 . 1 . 1 59 59 PHE CG C 13 134.712 0.000 . . . . . . A 535 PHE CG . 31025 1 231 . 1 . 1 59 59 PHE CD1 C 13 134.466 0.000 . . . . . . A 535 PHE CD1 . 31025 1 232 . 1 . 1 59 59 PHE CE1 C 13 130.139 0.000 . . . . . . A 535 PHE CE1 . 31025 1 233 . 1 . 1 59 59 PHE CZ C 13 126.517 0.000 . . . . . . A 535 PHE CZ . 31025 1 234 . 1 . 1 59 59 PHE N N 15 125.056 0.000 . . . . . . A 535 PHE N . 31025 1 235 . 1 . 1 60 60 LYS H H 1 9.660 0.000 . . . . . . A 536 LYS H . 31025 1 236 . 1 . 1 60 60 LYS C C 13 172.983 0.000 . . . . . . A 536 LYS C . 31025 1 237 . 1 . 1 60 60 LYS CA C 13 57.130 0.000 . . . . . . A 536 LYS CA . 31025 1 238 . 1 . 1 60 60 LYS CE C 13 41.690 0.000 . . . . . . A 536 LYS CE . 31025 1 239 . 1 . 1 60 60 LYS N N 15 128.439 0.000 . . . . . . A 536 LYS N . 31025 1 240 . 1 . 1 61 61 ALA H H 1 8.442 0.000 . . . . . . A 537 ALA H . 31025 1 241 . 1 . 1 61 61 ALA C C 13 177.262 0.000 . . . . . . A 537 ALA C . 31025 1 242 . 1 . 1 61 61 ALA CA C 13 51.917 0.000 . . . . . . A 537 ALA CA . 31025 1 243 . 1 . 1 61 61 ALA CB C 13 23.278 0.000 . . . . . . A 537 ALA CB . 31025 1 244 . 1 . 1 61 61 ALA N N 15 121.794 0.000 . . . . . . A 537 ALA N . 31025 1 245 . 1 . 1 62 62 GLN H H 1 8.825 0.000 . . . . . . A 538 GLN H . 31025 1 246 . 1 . 1 62 62 GLN CA C 13 56.773 0.000 . . . . . . A 538 GLN CA . 31025 1 247 . 1 . 1 62 62 GLN N N 15 120.594 0.000 . . . . . . A 538 GLN N . 31025 1 248 . 1 . 1 63 63 PRO C C 13 177.392 0.000 . . . . . . A 539 PRO C . 31025 1 249 . 1 . 1 63 63 PRO CA C 13 62.711 0.000 . . . . . . A 539 PRO CA . 31025 1 250 . 1 . 1 64 64 LEU H H 1 8.708 0.000 . . . . . . A 540 LEU H . 31025 1 251 . 1 . 1 64 64 LEU CA C 13 52.710 0.000 . . . . . . A 540 LEU CA . 31025 1 252 . 1 . 1 64 64 LEU N N 15 124.537 0.000 . . . . . . A 540 LEU N . 31025 1 253 . 1 . 1 65 65 PRO C C 13 176.142 0.000 . . . . . . A 541 PRO C . 31025 1 254 . 1 . 1 65 65 PRO CA C 13 63.900 0.000 . . . . . . A 541 PRO CA . 31025 1 255 . 1 . 1 65 65 PRO CG C 13 27.264 0.000 . . . . . . A 541 PRO CG . 31025 1 256 . 1 . 1 65 65 PRO CD C 13 50.823 0.000 . . . . . . A 541 PRO CD . 31025 1 257 . 1 . 1 66 66 GLN H H 1 8.786 0.000 . . . . . . A 542 GLN H . 31025 1 258 . 1 . 1 66 66 GLN CA C 13 56.591 0.000 . . . . . . A 542 GLN CA . 31025 1 259 . 1 . 1 66 66 GLN CG C 13 35.335 0.000 . . . . . . A 542 GLN CG . 31025 1 260 . 1 . 1 66 66 GLN N N 15 119.210 0.000 . . . . . . A 542 GLN N . 31025 1 261 . 1 . 1 67 67 PHE CA C 13 57.704 0.000 . . . . . . A 543 PHE CA . 31025 1 262 . 1 . 1 67 67 PHE CB C 13 39.820 0.000 . . . . . . A 543 PHE CB . 31025 1 263 . 1 . 1 67 67 PHE CD1 C 13 133.162 0.000 . . . . . . A 543 PHE CD1 . 31025 1 264 . 1 . 1 67 67 PHE CE1 C 13 131.726 0.000 . . . . . . A 543 PHE CE1 . 31025 1 265 . 1 . 1 67 67 PHE N N 15 120.479 0.000 . . . . . . A 543 PHE N . 31025 1 266 . 1 . 1 68 68 ASP C C 13 178.457 0.000 . . . . . . A 544 ASP C . 31025 1 267 . 1 . 1 68 68 ASP CA C 13 53.572 0.000 . . . . . . A 544 ASP CA . 31025 1 268 . 1 . 1 69 69 ASN H H 1 8.852 0.000 . . . . . . A 545 ASN H . 31025 1 269 . 1 . 1 69 69 ASN C C 13 178.792 0.000 . . . . . . A 545 ASN C . 31025 1 270 . 1 . 1 69 69 ASN CA C 13 52.308 0.000 . . . . . . A 545 ASN CA . 31025 1 271 . 1 . 1 69 69 ASN CB C 13 41.511 0.000 . . . . . . A 545 ASN CB . 31025 1 272 . 1 . 1 69 69 ASN N N 15 125.636 0.000 . . . . . . A 545 ASN N . 31025 1 273 . 1 . 1 70 70 ILE H H 1 8.488 0.000 . . . . . . A 546 ILE H . 31025 1 274 . 1 . 1 70 70 ILE CA C 13 62.998 0.000 . . . . . . A 546 ILE CA . 31025 1 275 . 1 . 1 70 70 ILE CB C 13 38.196 0.000 . . . . . . A 546 ILE CB . 31025 1 276 . 1 . 1 70 70 ILE CG1 C 13 27.476 0.000 . . . . . . A 546 ILE CG1 . 31025 1 277 . 1 . 1 70 70 ILE CG2 C 13 19.006 0.000 . . . . . . A 546 ILE CG2 . 31025 1 278 . 1 . 1 70 70 ILE CD1 C 13 13.189 0.000 . . . . . . A 546 ILE CD1 . 31025 1 279 . 1 . 1 70 70 ILE N N 15 123.453 0.000 . . . . . . A 546 ILE N . 31025 1 280 . 1 . 1 71 71 ARG H H 1 8.888 0.000 . . . . . . A 547 ARG H . 31025 1 281 . 1 . 1 71 71 ARG CA C 13 55.043 0.000 . . . . . . A 547 ARG CA . 31025 1 282 . 1 . 1 71 71 ARG N N 15 122.639 0.000 . . . . . . A 547 ARG N . 31025 1 283 . 1 . 1 74 74 GLU C C 13 172.814 0.000 . . . . . . A 550 GLU C . 31025 1 284 . 1 . 1 75 75 LYS H H 1 8.352 0.000 . . . . . . A 551 LYS H . 31025 1 285 . 1 . 1 75 75 LYS C C 13 172.575 0.000 . . . . . . A 551 LYS C . 31025 1 286 . 1 . 1 75 75 LYS CA C 13 59.501 0.000 . . . . . . A 551 LYS CA . 31025 1 287 . 1 . 1 75 75 LYS N N 15 118.546 0.000 . . . . . . A 551 LYS N . 31025 1 288 . 1 . 1 76 76 LYS H H 1 8.386 0.000 . . . . . . A 552 LYS H . 31025 1 289 . 1 . 1 76 76 LYS C C 13 176.402 0.000 . . . . . . A 552 LYS C . 31025 1 290 . 1 . 1 76 76 LYS CA C 13 59.459 0.000 . . . . . . A 552 LYS CA . 31025 1 291 . 1 . 1 76 76 LYS CB C 13 32.235 0.000 . . . . . . A 552 LYS CB . 31025 1 292 . 1 . 1 76 76 LYS CG C 13 25.580 0.000 . . . . . . A 552 LYS CG . 31025 1 293 . 1 . 1 76 76 LYS N N 15 118.847 0.000 . . . . . . A 552 LYS N . 31025 1 294 . 1 . 1 77 77 VAL H H 1 8.511 0.000 . . . . . . A 553 VAL H . 31025 1 295 . 1 . 1 77 77 VAL CA C 13 64.888 0.000 . . . . . . A 553 VAL CA . 31025 1 296 . 1 . 1 77 77 VAL CB C 13 32.276 0.000 . . . . . . A 553 VAL CB . 31025 1 297 . 1 . 1 77 77 VAL N N 15 118.583 0.000 . . . . . . A 553 VAL N . 31025 1 298 . 1 . 1 80 80 PRO C C 13 171.927 0.000 . . . . . . A 556 PRO C . 31025 1 299 . 1 . 1 81 81 THR H H 1 8.493 0.000 . . . . . . A 557 THR H . 31025 1 300 . 1 . 1 81 81 THR CA C 13 60.467 0.000 . . . . . . A 557 THR CA . 31025 1 301 . 1 . 1 81 81 THR CB C 13 68.525 0.000 . . . . . . A 557 THR CB . 31025 1 302 . 1 . 1 81 81 THR CG2 C 13 21.976 0.000 . . . . . . A 557 THR CG2 . 31025 1 303 . 1 . 1 81 81 THR N N 15 116.614 0.000 . . . . . . A 557 THR N . 31025 1 304 . 1 . 1 82 82 GLN H H 1 8.787 0.000 . . . . . . A 558 GLN H . 31025 1 305 . 1 . 1 82 82 GLN CA C 13 55.262 0.000 . . . . . . A 558 GLN CA . 31025 1 306 . 1 . 1 82 82 GLN N N 15 126.826 0.000 . . . . . . A 558 GLN N . 31025 1 307 . 1 . 1 85 85 PRO CA C 13 62.083 0.000 . . . . . . A 561 PRO CA . 31025 1 308 . 1 . 1 85 85 PRO CG C 13 28.953 0.000 . . . . . . A 561 PRO CG . 31025 1 309 . 1 . 1 86 86 PHE H H 1 9.264 0.000 . . . . . . A 562 PHE H . 31025 1 310 . 1 . 1 86 86 PHE CA C 13 60.127 0.000 . . . . . . A 562 PHE CA . 31025 1 311 . 1 . 1 86 86 PHE CB C 13 41.980 0.000 . . . . . . A 562 PHE CB . 31025 1 312 . 1 . 1 86 86 PHE CG C 13 135.069 0.000 . . . . . . A 562 PHE CG . 31025 1 313 . 1 . 1 86 86 PHE CD1 C 13 132.385 0.000 . . . . . . A 562 PHE CD1 . 31025 1 314 . 1 . 1 86 86 PHE CE1 C 13 131.620 0.000 . . . . . . A 562 PHE CE1 . 31025 1 315 . 1 . 1 86 86 PHE CZ C 13 130.170 0.000 . . . . . . A 562 PHE CZ . 31025 1 316 . 1 . 1 86 86 PHE N N 15 122.961 0.000 . . . . . . A 562 PHE N . 31025 1 317 . 1 . 1 87 87 ASP H H 1 8.973 0.000 . . . . . . A 563 ASP H . 31025 1 318 . 1 . 1 87 87 ASP C C 13 177.117 0.000 . . . . . . A 563 ASP C . 31025 1 319 . 1 . 1 87 87 ASP CA C 13 51.510 0.000 . . . . . . A 563 ASP CA . 31025 1 320 . 1 . 1 87 87 ASP CB C 13 42.505 0.000 . . . . . . A 563 ASP CB . 31025 1 321 . 1 . 1 87 87 ASP N N 15 123.092 0.000 . . . . . . A 563 ASP N . 31025 1 322 . 1 . 1 88 88 LEU H H 1 9.202 0.000 . . . . . . A 564 LEU H . 31025 1 323 . 1 . 1 88 88 LEU CA C 13 55.656 0.000 . . . . . . A 564 LEU CA . 31025 1 324 . 1 . 1 88 88 LEU N N 15 121.658 0.000 . . . . . . A 564 LEU N . 31025 1 325 . 1 . 1 89 89 GLU H H 1 9.389 0.000 . . . . . . A 565 GLU H . 31025 1 326 . 1 . 1 89 89 GLU CA C 13 57.327 0.000 . . . . . . A 565 GLU CA . 31025 1 327 . 1 . 1 89 89 GLU CB C 13 32.956 0.000 . . . . . . A 565 GLU CB . 31025 1 328 . 1 . 1 89 89 GLU N N 15 117.638 0.000 . . . . . . A 565 GLU N . 31025 1 329 . 1 . 1 90 90 ILE H H 1 9.479 0.000 . . . . . . A 566 ILE H . 31025 1 330 . 1 . 1 90 90 ILE C C 13 176.984 0.000 . . . . . . A 566 ILE C . 31025 1 331 . 1 . 1 90 90 ILE CA C 13 61.679 0.000 . . . . . . A 566 ILE CA . 31025 1 332 . 1 . 1 90 90 ILE CB C 13 38.017 0.000 . . . . . . A 566 ILE CB . 31025 1 333 . 1 . 1 90 90 ILE CG1 C 13 29.552 0.000 . . . . . . A 566 ILE CG1 . 31025 1 334 . 1 . 1 90 90 ILE CG2 C 13 17.597 0.000 . . . . . . A 566 ILE CG2 . 31025 1 335 . 1 . 1 90 90 ILE CD1 C 13 13.488 0.000 . . . . . . A 566 ILE CD1 . 31025 1 336 . 1 . 1 90 90 ILE N N 15 120.956 0.000 . . . . . . A 566 ILE N . 31025 1 337 . 1 . 1 91 91 GLU H H 1 9.325 0.000 . . . . . . A 567 GLU H . 31025 1 338 . 1 . 1 91 91 GLU C C 13 177.373 0.000 . . . . . . A 567 GLU C . 31025 1 339 . 1 . 1 91 91 GLU CA C 13 60.337 0.000 . . . . . . A 567 GLU CA . 31025 1 340 . 1 . 1 91 91 GLU N N 15 122.098 0.000 . . . . . . A 567 GLU N . 31025 1 341 . 1 . 1 92 92 LYS H H 1 9.673 0.000 . . . . . . A 568 LYS H . 31025 1 342 . 1 . 1 92 92 LYS CA C 13 55.081 0.000 . . . . . . A 568 LYS CA . 31025 1 343 . 1 . 1 92 92 LYS N N 15 123.591 0.000 . . . . . . A 568 LYS N . 31025 1 344 . 1 . 1 93 93 ARG H H 1 9.619 0.000 . . . . . . A 569 ARG H . 31025 1 345 . 1 . 1 93 93 ARG C C 13 176.929 0.000 . . . . . . A 569 ARG C . 31025 1 346 . 1 . 1 93 93 ARG CA C 13 55.960 0.000 . . . . . . A 569 ARG CA . 31025 1 347 . 1 . 1 93 93 ARG N N 15 123.991 0.000 . . . . . . A 569 ARG N . 31025 1 348 . 1 . 1 94 94 GLY H H 1 9.131 0.000 . . . . . . A 570 GLY H . 31025 1 349 . 1 . 1 94 94 GLY C C 13 171.072 0.000 . . . . . . A 570 GLY C . 31025 1 350 . 1 . 1 94 94 GLY CA C 13 45.222 0.000 . . . . . . A 570 GLY CA . 31025 1 351 . 1 . 1 94 94 GLY N N 15 108.640 0.000 . . . . . . A 570 GLY N . 31025 1 352 . 1 . 1 95 95 ALA H H 1 9.287 0.000 . . . . . . A 571 ALA H . 31025 1 353 . 1 . 1 95 95 ALA C C 13 176.991 0.000 . . . . . . A 571 ALA C . 31025 1 354 . 1 . 1 95 95 ALA CA C 13 55.220 0.000 . . . . . . A 571 ALA CA . 31025 1 355 . 1 . 1 95 95 ALA CB C 13 18.102 0.000 . . . . . . A 571 ALA CB . 31025 1 356 . 1 . 1 95 95 ALA N N 15 123.327 0.000 . . . . . . A 571 ALA N . 31025 1 357 . 1 . 1 96 96 SER H H 1 9.126 0.000 . . . . . . A 572 SER H . 31025 1 358 . 1 . 1 96 96 SER CA C 13 55.222 0.000 . . . . . . A 572 SER CA . 31025 1 359 . 1 . 1 96 96 SER CB C 13 60.035 0.000 . . . . . . A 572 SER CB . 31025 1 360 . 1 . 1 96 96 SER N N 15 122.107 0.000 . . . . . . A 572 SER N . 31025 1 361 . 1 . 1 97 97 LYS H H 1 8.847 0.000 . . . . . . A 573 LYS H . 31025 1 362 . 1 . 1 97 97 LYS C C 13 176.270 0.000 . . . . . . A 573 LYS C . 31025 1 363 . 1 . 1 97 97 LYS CA C 13 58.873 0.000 . . . . . . A 573 LYS CA . 31025 1 364 . 1 . 1 97 97 LYS CG C 13 25.112 0.000 . . . . . . A 573 LYS CG . 31025 1 365 . 1 . 1 97 97 LYS N N 15 117.715 0.000 . . . . . . A 573 LYS N . 31025 1 366 . 1 . 1 98 98 LEU H H 1 8.303 0.000 . . . . . . A 574 LEU H . 31025 1 367 . 1 . 1 98 98 LEU C C 13 174.818 0.000 . . . . . . A 574 LEU C . 31025 1 368 . 1 . 1 98 98 LEU CA C 13 57.154 0.000 . . . . . . A 574 LEU CA . 31025 1 369 . 1 . 1 98 98 LEU N N 15 117.954 0.000 . . . . . . A 574 LEU N . 31025 1 370 . 1 . 1 99 99 GLN H H 1 8.325 0.000 . . . . . . A 575 GLN H . 31025 1 371 . 1 . 1 99 99 GLN C C 13 177.975 0.000 . . . . . . A 575 GLN C . 31025 1 372 . 1 . 1 99 99 GLN CA C 13 58.528 0.000 . . . . . . A 575 GLN CA . 31025 1 373 . 1 . 1 99 99 GLN N N 15 118.182 0.000 . . . . . . A 575 GLN N . 31025 1 374 . 1 . 1 100 100 ARG H H 1 8.304 0.000 . . . . . . A 576 ARG H . 31025 1 375 . 1 . 1 100 100 ARG C C 13 177.588 0.000 . . . . . . A 576 ARG C . 31025 1 376 . 1 . 1 100 100 ARG CA C 13 60.133 0.000 . . . . . . A 576 ARG CA . 31025 1 377 . 1 . 1 100 100 ARG N N 15 122.366 0.000 . . . . . . A 576 ARG N . 31025 1 378 . 1 . 1 101 101 TRP H H 1 8.660 0.000 . . . . . . A 577 TRP H . 31025 1 379 . 1 . 1 101 101 TRP C C 13 177.478 0.000 . . . . . . A 577 TRP C . 31025 1 380 . 1 . 1 101 101 TRP CA C 13 57.977 0.000 . . . . . . A 577 TRP CA . 31025 1 381 . 1 . 1 101 101 TRP CD2 C 13 129.485 0.000 . . . . . . A 577 TRP CD2 . 31025 1 382 . 1 . 1 101 101 TRP CE2 C 13 139.485 0.000 . . . . . . A 577 TRP CE2 . 31025 1 383 . 1 . 1 101 101 TRP CE3 C 13 121.245 0.000 . . . . . . A 577 TRP CE3 . 31025 1 384 . 1 . 1 101 101 TRP CZ3 C 13 123.062 0.000 . . . . . . A 577 TRP CZ3 . 31025 1 385 . 1 . 1 101 101 TRP CH2 C 13 125.486 0.000 . . . . . . A 577 TRP CH2 . 31025 1 386 . 1 . 1 101 101 TRP N N 15 119.422 0.000 . . . . . . A 577 TRP N . 31025 1 387 . 1 . 1 102 102 GLN H H 1 8.343 0.000 . . . . . . A 578 GLN H . 31025 1 388 . 1 . 1 102 102 GLN CA C 13 58.343 0.000 . . . . . . A 578 GLN CA . 31025 1 389 . 1 . 1 102 102 GLN N N 15 119.198 0.000 . . . . . . A 578 GLN N . 31025 1 390 . 1 . 1 103 103 GLN H H 1 8.322 0.000 . . . . . . A 579 GLN H . 31025 1 391 . 1 . 1 103 103 GLN C C 13 174.181 0.000 . . . . . . A 579 GLN C . 31025 1 392 . 1 . 1 103 103 GLN CA C 13 60.601 0.000 . . . . . . A 579 GLN CA . 31025 1 393 . 1 . 1 103 103 GLN N N 15 118.048 0.000 . . . . . . A 579 GLN N . 31025 1 394 . 1 . 1 104 104 GLN H H 1 8.165 0.000 . . . . . . A 580 GLN H . 31025 1 395 . 1 . 1 104 104 GLN C C 13 177.186 0.000 . . . . . . A 580 GLN C . 31025 1 396 . 1 . 1 104 104 GLN CA C 13 57.961 0.000 . . . . . . A 580 GLN CA . 31025 1 397 . 1 . 1 104 104 GLN N N 15 121.253 0.000 . . . . . . A 580 GLN N . 31025 1 398 . 1 . 1 105 105 ILE H H 1 8.959 0.000 . . . . . . A 581 ILE H . 31025 1 399 . 1 . 1 105 105 ILE CA C 13 60.643 0.000 . . . . . . A 581 ILE CA . 31025 1 400 . 1 . 1 105 105 ILE CB C 13 37.780 0.000 . . . . . . A 581 ILE CB . 31025 1 401 . 1 . 1 105 105 ILE CG1 C 13 26.907 0.000 . . . . . . A 581 ILE CG1 . 31025 1 402 . 1 . 1 105 105 ILE CG2 C 13 17.799 0.000 . . . . . . A 581 ILE CG2 . 31025 1 403 . 1 . 1 105 105 ILE CD1 C 13 14.209 0.000 . . . . . . A 581 ILE CD1 . 31025 1 404 . 1 . 1 105 105 ILE N N 15 123.653 0.000 . . . . . . A 581 ILE N . 31025 1 405 . 1 . 1 106 106 GLN H H 1 8.953 0.000 . . . . . . A 582 GLN H . 31025 1 406 . 1 . 1 106 106 GLN C C 13 177.731 0.000 . . . . . . A 582 GLN C . 31025 1 407 . 1 . 1 106 106 GLN CA C 13 61.848 0.000 . . . . . . A 582 GLN CA . 31025 1 408 . 1 . 1 106 106 GLN N N 15 124.589 0.000 . . . . . . A 582 GLN N . 31025 1 409 . 1 . 1 107 107 GLU H H 1 8.845 0.000 . . . . . . A 583 GLU H . 31025 1 410 . 1 . 1 107 107 GLU CA C 13 59.675 0.000 . . . . . . A 583 GLU CA . 31025 1 411 . 1 . 1 107 107 GLU N N 15 119.784 0.000 . . . . . . A 583 GLU N . 31025 1 412 . 1 . 1 108 108 GLU H H 1 8.093 0.000 . . . . . . A 584 GLU H . 31025 1 413 . 1 . 1 108 108 GLU C C 13 176.813 0.000 . . . . . . A 584 GLU C . 31025 1 414 . 1 . 1 108 108 GLU CA C 13 55.575 0.000 . . . . . . A 584 GLU CA . 31025 1 415 . 1 . 1 108 108 GLU N N 15 118.066 0.000 . . . . . . A 584 GLU N . 31025 1 416 . 1 . 1 109 109 LEU H H 1 9.593 0.000 . . . . . . A 585 LEU H . 31025 1 417 . 1 . 1 109 109 LEU C C 13 177.411 0.000 . . . . . . A 585 LEU C . 31025 1 418 . 1 . 1 109 109 LEU CA C 13 54.770 0.000 . . . . . . A 585 LEU CA . 31025 1 419 . 1 . 1 109 109 LEU CB C 13 41.299 0.000 . . . . . . A 585 LEU CB . 31025 1 420 . 1 . 1 109 109 LEU N N 15 127.388 0.000 . . . . . . A 585 LEU N . 31025 1 421 . 1 . 1 110 110 LYS H H 1 9.762 0.000 . . . . . . A 586 LYS H . 31025 1 422 . 1 . 1 110 110 LYS CA C 13 58.003 0.000 . . . . . . A 586 LYS CA . 31025 1 423 . 1 . 1 110 110 LYS N N 15 124.479 0.000 . . . . . . A 586 LYS N . 31025 1 424 . 1 . 1 115 115 MET C C 13 177.463 0.000 . . . . . . A 591 MET C . 31025 1 425 . 1 . 1 115 115 MET CA C 13 54.733 0.000 . . . . . . A 591 MET CA . 31025 1 426 . 1 . 1 116 116 VAL H H 1 8.927 0.000 . . . . . . A 592 VAL H . 31025 1 427 . 1 . 1 116 116 VAL C C 13 177.116 0.000 . . . . . . A 592 VAL C . 31025 1 428 . 1 . 1 116 116 VAL CA C 13 60.542 0.000 . . . . . . A 592 VAL CA . 31025 1 429 . 1 . 1 116 116 VAL N N 15 123.252 0.000 . . . . . . A 592 VAL N . 31025 1 430 . 1 . 1 117 117 VAL H H 1 9.312 0.000 . . . . . . A 593 VAL H . 31025 1 431 . 1 . 1 117 117 VAL CA C 13 59.781 0.000 . . . . . . A 593 VAL CA . 31025 1 432 . 1 . 1 117 117 VAL CB C 13 34.286 0.000 . . . . . . A 593 VAL CB . 31025 1 433 . 1 . 1 117 117 VAL CG2 C 13 21.184 0.000 . . . . . . A 593 VAL CG2 . 31025 1 434 . 1 . 1 117 117 VAL N N 15 124.064 0.000 . . . . . . A 593 VAL N . 31025 1 435 . 1 . 1 118 118 PHE H H 1 8.353 0.000 . . . . . . A 594 PHE H . 31025 1 436 . 1 . 1 118 118 PHE C C 13 177.107 0.000 . . . . . . A 594 PHE C . 31025 1 437 . 1 . 1 118 118 PHE CA C 13 59.643 0.000 . . . . . . A 594 PHE CA . 31025 1 438 . 1 . 1 118 118 PHE CB C 13 42.517 0.000 . . . . . . A 594 PHE CB . 31025 1 439 . 1 . 1 118 118 PHE CG C 13 138.790 0.000 . . . . . . A 594 PHE CG . 31025 1 440 . 1 . 1 118 118 PHE CE1 C 13 130.927 0.000 . . . . . . A 594 PHE CE1 . 31025 1 441 . 1 . 1 118 118 PHE CZ C 13 126.682 0.000 . . . . . . A 594 PHE CZ . 31025 1 442 . 1 . 1 118 118 PHE N N 15 118.359 0.000 . . . . . . A 594 PHE N . 31025 1 443 . 1 . 1 119 119 LYS H H 1 9.373 0.000 . . . . . . A 595 LYS H . 31025 1 444 . 1 . 1 119 119 LYS C C 13 179.160 0.000 . . . . . . A 595 LYS C . 31025 1 445 . 1 . 1 119 119 LYS CA C 13 55.024 0.000 . . . . . . A 595 LYS CA . 31025 1 446 . 1 . 1 119 119 LYS N N 15 119.661 0.000 . . . . . . A 595 LYS N . 31025 1 447 . 1 . 1 120 120 ALA H H 1 9.314 0.000 . . . . . . A 596 ALA H . 31025 1 448 . 1 . 1 120 120 ALA CA C 13 51.506 0.000 . . . . . . A 596 ALA CA . 31025 1 449 . 1 . 1 120 120 ALA CB C 13 23.161 0.000 . . . . . . A 596 ALA CB . 31025 1 450 . 1 . 1 120 120 ALA N N 15 126.011 0.000 . . . . . . A 596 ALA N . 31025 1 451 . 1 . 1 122 122 PRO CA C 13 64.654 0.000 . . . . . . A 598 PRO CA . 31025 1 452 . 1 . 1 123 123 ASN H H 1 8.985 0.000 . . . . . . A 599 ASN H . 31025 1 453 . 1 . 1 123 123 ASN C C 13 177.728 0.000 . . . . . . A 599 ASN C . 31025 1 454 . 1 . 1 123 123 ASN CA C 13 53.421 0.000 . . . . . . A 599 ASN CA . 31025 1 455 . 1 . 1 123 123 ASN CB C 13 39.327 0.000 . . . . . . A 599 ASN CB . 31025 1 456 . 1 . 1 123 123 ASN N N 15 124.308 0.000 . . . . . . A 599 ASN N . 31025 1 457 . 1 . 1 124 124 THR H H 1 8.872 0.000 . . . . . . A 600 THR H . 31025 1 458 . 1 . 1 124 124 THR C C 13 177.151 0.000 . . . . . . A 600 THR C . 31025 1 459 . 1 . 1 124 124 THR CA C 13 60.838 0.000 . . . . . . A 600 THR CA . 31025 1 460 . 1 . 1 124 124 THR CB C 13 66.716 0.000 . . . . . . A 600 THR CB . 31025 1 461 . 1 . 1 124 124 THR N N 15 124.269 0.000 . . . . . . A 600 THR N . 31025 1 462 . 1 . 1 125 125 VAL H H 1 8.987 0.000 . . . . . . A 601 VAL H . 31025 1 463 . 1 . 1 125 125 VAL C C 13 177.285 0.000 . . . . . . A 601 VAL C . 31025 1 464 . 1 . 1 125 125 VAL CA C 13 61.426 0.000 . . . . . . A 601 VAL CA . 31025 1 465 . 1 . 1 125 125 VAL CB C 13 34.725 0.000 . . . . . . A 601 VAL CB . 31025 1 466 . 1 . 1 125 125 VAL N N 15 125.179 0.000 . . . . . . A 601 VAL N . 31025 1 467 . 1 . 1 126 126 VAL H H 1 9.345 0.000 . . . . . . A 602 VAL H . 31025 1 468 . 1 . 1 126 126 VAL CA C 13 60.653 0.000 . . . . . . A 602 VAL CA . 31025 1 469 . 1 . 1 126 126 VAL CB C 13 35.282 0.000 . . . . . . A 602 VAL CB . 31025 1 470 . 1 . 1 126 126 VAL N N 15 124.184 0.000 . . . . . . A 602 VAL N . 31025 1 471 . 1 . 1 127 127 HIS CG C 13 129.886 0.000 . . . . . . A 603 HIS CG . 31025 1 472 . 1 . 1 127 127 HIS CD2 C 13 119.099 0.000 . . . . . . A 603 HIS CD2 . 31025 1 473 . 1 . 1 127 127 HIS CE1 C 13 139.881 0.000 . . . . . . A 603 HIS CE1 . 31025 1 474 . 1 . 1 128 128 GLN CA C 13 57.854 0.000 . . . . . . A 604 GLN CA . 31025 1 475 . 1 . 1 128 128 GLN CB C 13 29.296 0.000 . . . . . . A 604 GLN CB . 31025 1 476 . 1 . 1 130 130 PRO CA C 13 63.243 0.000 . . . . . . A 606 PRO CA . 31025 1 477 . 1 . 1 130 130 PRO CB C 13 31.917 0.000 . . . . . . A 606 PRO CB . 31025 1 478 . 1 . 1 130 130 PRO CG C 13 27.377 0.000 . . . . . . A 606 PRO CG . 31025 1 479 . 1 . 1 131 131 PHE H H 1 9.407 0.000 . . . . . . A 607 PHE H . 31025 1 480 . 1 . 1 131 131 PHE CA C 13 61.981 0.000 . . . . . . A 607 PHE CA . 31025 1 481 . 1 . 1 131 131 PHE CB C 13 38.905 0.000 . . . . . . A 607 PHE CB . 31025 1 482 . 1 . 1 131 131 PHE CG C 13 136.596 0.000 . . . . . . A 607 PHE CG . 31025 1 483 . 1 . 1 131 131 PHE CD1 C 13 133.159 0.000 . . . . . . A 607 PHE CD1 . 31025 1 484 . 1 . 1 131 131 PHE CE1 C 13 131.356 0.000 . . . . . . A 607 PHE CE1 . 31025 1 485 . 1 . 1 131 131 PHE CZ C 13 129.187 0.000 . . . . . . A 607 PHE CZ . 31025 1 486 . 1 . 1 131 131 PHE N N 15 126.198 0.000 . . . . . . A 607 PHE N . 31025 1 487 . 1 . 1 132 132 VAL H H 1 9.406 0.000 . . . . . . A 608 VAL H . 31025 1 488 . 1 . 1 132 132 VAL CA C 13 60.394 0.000 . . . . . . A 608 VAL CA . 31025 1 489 . 1 . 1 132 132 VAL N N 15 123.850 0.000 . . . . . . A 608 VAL N . 31025 1 490 . 1 . 1 136 136 GLU CA C 13 60.281 0.000 . . . . . . A 612 GLU CA . 31025 1 491 . 1 . 1 136 136 GLU CG C 13 36.104 0.000 . . . . . . A 612 GLU CG . 31025 1 492 . 1 . 1 137 137 ASN H H 1 8.812 0.000 . . . . . . A 613 ASN H . 31025 1 493 . 1 . 1 137 137 ASN C C 13 174.423 0.000 . . . . . . A 613 ASN C . 31025 1 494 . 1 . 1 137 137 ASN CA C 13 54.591 0.000 . . . . . . A 613 ASN CA . 31025 1 495 . 1 . 1 137 137 ASN CB C 13 38.778 0.000 . . . . . . A 613 ASN CB . 31025 1 496 . 1 . 1 137 137 ASN N N 15 123.428 0.000 . . . . . . A 613 ASN N . 31025 1 497 . 1 . 1 138 138 ARG H H 1 8.584 0.000 . . . . . . A 614 ARG H . 31025 1 498 . 1 . 1 138 138 ARG CA C 13 55.636 0.000 . . . . . . A 614 ARG CA . 31025 1 499 . 1 . 1 138 138 ARG N N 15 119.477 0.000 . . . . . . A 614 ARG N . 31025 1 500 . 1 . 1 139 139 SER H H 1 9.124 0.000 . . . . . . A 615 SER H . 31025 1 501 . 1 . 1 139 139 SER C C 13 176.787 0.000 . . . . . . A 615 SER C . 31025 1 502 . 1 . 1 139 139 SER CA C 13 59.763 0.000 . . . . . . A 615 SER CA . 31025 1 503 . 1 . 1 139 139 SER N N 15 118.646 0.000 . . . . . . A 615 SER N . 31025 1 504 . 1 . 1 140 140 LEU H H 1 9.280 0.000 . . . . . . A 616 LEU H . 31025 1 505 . 1 . 1 140 140 LEU C C 13 176.819 0.000 . . . . . . A 616 LEU C . 31025 1 506 . 1 . 1 140 140 LEU CA C 13 57.277 0.000 . . . . . . A 616 LEU CA . 31025 1 507 . 1 . 1 140 140 LEU CB C 13 43.034 0.000 . . . . . . A 616 LEU CB . 31025 1 508 . 1 . 1 140 140 LEU N N 15 118.802 0.000 . . . . . . A 616 LEU N . 31025 1 509 . 1 . 1 141 141 THR H H 1 9.130 0.000 . . . . . . A 617 THR H . 31025 1 510 . 1 . 1 141 141 THR CA C 13 62.166 0.000 . . . . . . A 617 THR CA . 31025 1 511 . 1 . 1 141 141 THR CB C 13 69.884 0.000 . . . . . . A 617 THR CB . 31025 1 512 . 1 . 1 141 141 THR CG2 C 13 21.927 0.000 . . . . . . A 617 THR CG2 . 31025 1 513 . 1 . 1 141 141 THR N N 15 114.999 0.000 . . . . . . A 617 THR N . 31025 1 514 . 1 . 1 142 142 GLU H H 1 9.086 0.000 . . . . . . A 618 GLU H . 31025 1 515 . 1 . 1 142 142 GLU C C 13 172.517 0.000 . . . . . . A 618 GLU C . 31025 1 516 . 1 . 1 142 142 GLU CA C 13 59.047 0.000 . . . . . . A 618 GLU CA . 31025 1 517 . 1 . 1 142 142 GLU N N 15 123.113 0.000 . . . . . . A 618 GLU N . 31025 1 518 . 1 . 1 143 143 SER H H 1 8.252 0.000 . . . . . . A 619 SER H . 31025 1 519 . 1 . 1 143 143 SER CA C 13 59.306 0.000 . . . . . . A 619 SER CA . 31025 1 520 . 1 . 1 143 143 SER CB C 13 64.255 0.000 . . . . . . A 619 SER CB . 31025 1 521 . 1 . 1 143 143 SER N N 15 118.677 0.000 . . . . . . A 619 SER N . 31025 1 522 . 1 . 1 144 144 LEU H H 1 8.229 0.000 . . . . . . A 620 LEU H . 31025 1 523 . 1 . 1 144 144 LEU C C 13 175.789 0.000 . . . . . . A 620 LEU C . 31025 1 524 . 1 . 1 144 144 LEU CA C 13 55.213 0.000 . . . . . . A 620 LEU CA . 31025 1 525 . 1 . 1 144 144 LEU N N 15 118.340 0.000 . . . . . . A 620 LEU N . 31025 1 526 . 1 . 1 145 145 SER H H 1 8.694 0.000 . . . . . . A 621 SER H . 31025 1 527 . 1 . 1 145 145 SER CA C 13 57.964 0.000 . . . . . . A 621 SER CA . 31025 1 528 . 1 . 1 145 145 SER CB C 13 64.633 0.000 . . . . . . A 621 SER CB . 31025 1 529 . 1 . 1 145 145 SER N N 15 118.934 0.000 . . . . . . A 621 SER N . 31025 1 530 . 1 . 1 146 146 GLY H H 1 8.815 0.000 . . . . . . A 622 GLY H . 31025 1 531 . 1 . 1 146 146 GLY C C 13 174.085 0.000 . . . . . . A 622 GLY C . 31025 1 532 . 1 . 1 146 146 GLY CA C 13 45.389 0.000 . . . . . . A 622 GLY CA . 31025 1 533 . 1 . 1 146 146 GLY N N 15 110.512 0.000 . . . . . . A 622 GLY N . 31025 1 534 . 1 . 1 147 147 SER H H 1 8.202 0.000 . . . . . . A 623 SER H . 31025 1 535 . 1 . 1 147 147 SER C C 13 177.320 0.000 . . . . . . A 623 SER C . 31025 1 536 . 1 . 1 147 147 SER CA C 13 55.248 0.000 . . . . . . A 623 SER CA . 31025 1 537 . 1 . 1 147 147 SER CB C 13 60.787 0.000 . . . . . . A 623 SER CB . 31025 1 538 . 1 . 1 147 147 SER N N 15 116.545 0.000 . . . . . . A 623 SER N . 31025 1 539 . 1 . 1 148 148 ILE H H 1 9.142 0.000 . . . . . . A 624 ILE H . 31025 1 540 . 1 . 1 148 148 ILE C C 13 176.217 0.000 . . . . . . A 624 ILE C . 31025 1 541 . 1 . 1 148 148 ILE CA C 13 60.084 0.000 . . . . . . A 624 ILE CA . 31025 1 542 . 1 . 1 148 148 ILE CB C 13 42.294 0.000 . . . . . . A 624 ILE CB . 31025 1 543 . 1 . 1 148 148 ILE CG1 C 13 28.275 0.000 . . . . . . A 624 ILE CG1 . 31025 1 544 . 1 . 1 148 148 ILE CG2 C 13 18.367 0.000 . . . . . . A 624 ILE CG2 . 31025 1 545 . 1 . 1 148 148 ILE CD1 C 13 14.550 0.000 . . . . . . A 624 ILE CD1 . 31025 1 546 . 1 . 1 148 148 ILE N N 15 123.042 0.000 . . . . . . A 624 ILE N . 31025 1 547 . 1 . 1 149 149 VAL H H 1 9.080 0.000 . . . . . . A 625 VAL H . 31025 1 548 . 1 . 1 149 149 VAL CA C 13 60.484 0.000 . . . . . . A 625 VAL CA . 31025 1 549 . 1 . 1 149 149 VAL CB C 13 32.744 0.000 . . . . . . A 625 VAL CB . 31025 1 550 . 1 . 1 149 149 VAL N N 15 120.612 0.000 . . . . . . A 625 VAL N . 31025 1 551 . 1 . 1 150 150 GLN H H 1 8.769 0.000 . . . . . . A 626 GLN H . 31025 1 552 . 1 . 1 150 150 GLN CA C 13 55.510 0.000 . . . . . . A 626 GLN CA . 31025 1 553 . 1 . 1 150 150 GLN N N 15 122.824 0.000 . . . . . . A 626 GLN N . 31025 1 554 . 1 . 1 151 151 GLU H H 1 9.169 0.000 . . . . . . A 627 GLU H . 31025 1 555 . 1 . 1 151 151 GLU CA C 13 55.022 0.000 . . . . . . A 627 GLU CA . 31025 1 556 . 1 . 1 151 151 GLU CB C 13 33.523 0.000 . . . . . . A 627 GLU CB . 31025 1 557 . 1 . 1 151 151 GLU N N 15 118.571 0.000 . . . . . . A 627 GLU N . 31025 1 558 . 1 . 1 152 152 GLY H H 1 9.186 0.000 . . . . . . A 628 GLY H . 31025 1 559 . 1 . 1 152 152 GLY C C 13 172.265 0.000 . . . . . . A 628 GLY C . 31025 1 560 . 1 . 1 152 152 GLY CA C 13 46.022 0.000 . . . . . . A 628 GLY CA . 31025 1 561 . 1 . 1 152 152 GLY N N 15 109.797 0.000 . . . . . . A 628 GLY N . 31025 1 562 . 1 . 1 153 153 PHE H H 1 8.976 0.000 . . . . . . A 629 PHE H . 31025 1 563 . 1 . 1 153 153 PHE C C 13 172.835 0.000 . . . . . . A 629 PHE C . 31025 1 564 . 1 . 1 153 153 PHE CA C 13 59.758 0.000 . . . . . . A 629 PHE CA . 31025 1 565 . 1 . 1 153 153 PHE N N 15 119.111 0.000 . . . . . . A 629 PHE N . 31025 1 566 . 1 . 1 154 154 GLU H H 1 8.077 0.000 . . . . . . A 630 GLU H . 31025 1 567 . 1 . 1 154 154 GLU C C 13 174.035 0.000 . . . . . . A 630 GLU C . 31025 1 568 . 1 . 1 154 154 GLU CA C 13 59.412 0.000 . . . . . . A 630 GLU CA . 31025 1 569 . 1 . 1 154 154 GLU N N 15 118.454 0.000 . . . . . . A 630 GLU N . 31025 1 570 . 1 . 1 155 155 LEU H H 1 8.097 0.000 . . . . . . A 631 LEU H . 31025 1 571 . 1 . 1 155 155 LEU C C 13 176.977 0.000 . . . . . . A 631 LEU C . 31025 1 572 . 1 . 1 155 155 LEU CA C 13 54.135 0.000 . . . . . . A 631 LEU CA . 31025 1 573 . 1 . 1 155 155 LEU CB C 13 45.922 0.000 . . . . . . A 631 LEU CB . 31025 1 574 . 1 . 1 155 155 LEU CG C 13 26.076 0.000 . . . . . . A 631 LEU CG . 31025 1 575 . 1 . 1 155 155 LEU N N 15 118.727 0.000 . . . . . . A 631 LEU N . 31025 1 576 . 1 . 1 156 156 ALA H H 1 8.789 0.000 . . . . . . A 632 ALA H . 31025 1 577 . 1 . 1 156 156 ALA C C 13 171.405 0.000 . . . . . . A 632 ALA C . 31025 1 578 . 1 . 1 156 156 ALA CA C 13 52.106 0.000 . . . . . . A 632 ALA CA . 31025 1 579 . 1 . 1 156 156 ALA CB C 13 19.395 0.000 . . . . . . A 632 ALA CB . 31025 1 580 . 1 . 1 156 156 ALA N N 15 121.874 0.000 . . . . . . A 632 ALA N . 31025 1 581 . 1 . 1 157 157 THR H H 1 8.463 0.000 . . . . . . A 633 THR H . 31025 1 582 . 1 . 1 157 157 THR C C 13 177.059 0.000 . . . . . . A 633 THR C . 31025 1 583 . 1 . 1 157 157 THR CA C 13 62.152 0.000 . . . . . . A 633 THR CA . 31025 1 584 . 1 . 1 157 157 THR CB C 13 69.968 0.000 . . . . . . A 633 THR CB . 31025 1 585 . 1 . 1 157 157 THR CG2 C 13 21.849 0.000 . . . . . . A 633 THR CG2 . 31025 1 586 . 1 . 1 157 157 THR N N 15 113.453 0.000 . . . . . . A 633 THR N . 31025 1 587 . 1 . 1 158 158 ALA H H 1 9.647 0.000 . . . . . . A 634 ALA H . 31025 1 588 . 1 . 1 158 158 ALA C C 13 177.024 0.000 . . . . . . A 634 ALA C . 31025 1 589 . 1 . 1 158 158 ALA CA C 13 54.785 0.000 . . . . . . A 634 ALA CA . 31025 1 590 . 1 . 1 158 158 ALA CB C 13 17.998 0.000 . . . . . . A 634 ALA CB . 31025 1 591 . 1 . 1 158 158 ALA N N 15 121.805 0.000 . . . . . . A 634 ALA N . 31025 1 592 . 1 . 1 159 159 LYS H H 1 8.983 0.000 . . . . . . A 635 LYS H . 31025 1 593 . 1 . 1 159 159 LYS CA C 13 56.547 0.000 . . . . . . A 635 LYS CA . 31025 1 594 . 1 . 1 159 159 LYS N N 15 126.286 0.000 . . . . . . A 635 LYS N . 31025 1 595 . 1 . 1 160 160 ARG H H 1 9.420 0.000 . . . . . . A 636 ARG H . 31025 1 596 . 1 . 1 160 160 ARG C C 13 175.559 0.000 . . . . . . A 636 ARG C . 31025 1 597 . 1 . 1 160 160 ARG CA C 13 58.129 0.000 . . . . . . A 636 ARG CA . 31025 1 598 . 1 . 1 160 160 ARG N N 15 124.933 0.000 . . . . . . A 636 ARG N . 31025 1 599 . 1 . 1 161 161 ALA H H 1 8.293 0.000 . . . . . . A 637 ALA H . 31025 1 600 . 1 . 1 161 161 ALA C C 13 177.645 0.000 . . . . . . A 637 ALA C . 31025 1 601 . 1 . 1 161 161 ALA CA C 13 55.303 0.000 . . . . . . A 637 ALA CA . 31025 1 602 . 1 . 1 161 161 ALA N N 15 119.727 0.000 . . . . . . A 637 ALA N . 31025 1 603 . 1 . 1 162 162 LYS H H 1 8.984 0.000 . . . . . . A 638 LYS H . 31025 1 604 . 1 . 1 162 162 LYS CA C 13 59.669 0.000 . . . . . . A 638 LYS CA . 31025 1 605 . 1 . 1 162 162 LYS N N 15 119.350 0.000 . . . . . . A 638 LYS N . 31025 1 606 . 1 . 1 163 163 GLU C C 13 172.756 0.000 . . . . . . A 639 GLU C . 31025 1 607 . 1 . 1 163 163 GLU CA C 13 59.160 0.000 . . . . . . A 639 GLU CA . 31025 1 608 . 1 . 1 164 164 ARG H H 1 7.740 0.000 . . . . . . A 640 ARG H . 31025 1 609 . 1 . 1 164 164 ARG C C 13 172.757 0.000 . . . . . . A 640 ARG C . 31025 1 610 . 1 . 1 164 164 ARG CA C 13 59.124 0.000 . . . . . . A 640 ARG CA . 31025 1 611 . 1 . 1 164 164 ARG N N 15 118.850 0.000 . . . . . . A 640 ARG N . 31025 1 612 . 1 . 1 165 165 GLN H H 1 8.008 0.000 . . . . . . A 641 GLN H . 31025 1 613 . 1 . 1 165 165 GLN CA C 13 59.483 0.000 . . . . . . A 641 GLN CA . 31025 1 614 . 1 . 1 165 165 GLN N N 15 118.879 0.000 . . . . . . A 641 GLN N . 31025 1 615 . 1 . 1 166 166 GLU H H 1 8.359 0.000 . . . . . . A 642 GLU H . 31025 1 616 . 1 . 1 166 166 GLU C C 13 176.824 0.000 . . . . . . A 642 GLU C . 31025 1 617 . 1 . 1 166 166 GLU CA C 13 55.603 0.000 . . . . . . A 642 GLU CA . 31025 1 618 . 1 . 1 166 166 GLU N N 15 117.846 0.000 . . . . . . A 642 GLU N . 31025 1 619 . 1 . 1 167 167 PHE H H 1 8.686 0.000 . . . . . . A 643 PHE H . 31025 1 620 . 1 . 1 167 167 PHE C C 13 176.375 0.000 . . . . . . A 643 PHE C . 31025 1 621 . 1 . 1 167 167 PHE CA C 13 54.528 0.000 . . . . . . A 643 PHE CA . 31025 1 622 . 1 . 1 167 167 PHE N N 15 120.914 0.000 . . . . . . A 643 PHE N . 31025 1 623 . 1 . 1 168 168 ASP H H 1 8.568 0.000 . . . . . . A 644 ASP H . 31025 1 624 . 1 . 1 168 168 ASP CA C 13 55.324 0.000 . . . . . . A 644 ASP CA . 31025 1 625 . 1 . 1 168 168 ASP N N 15 120.224 0.000 . . . . . . A 644 ASP N . 31025 1 626 . 1 . 1 169 169 LYS H H 1 9.013 0.000 . . . . . . A 645 LYS H . 31025 1 627 . 1 . 1 169 169 LYS CA C 13 60.306 0.000 . . . . . . A 645 LYS CA . 31025 1 628 . 1 . 1 169 169 LYS N N 15 122.715 0.000 . . . . . . A 645 LYS N . 31025 1 629 . 1 . 1 170 170 CYS CA C 13 60.399 0.000 . . . . . . A 646 CYS CA . 31025 1 630 . 1 . 1 171 171 LEU H H 1 8.847 0.000 . . . . . . A 647 LEU H . 31025 1 631 . 1 . 1 171 171 LEU CA C 13 55.819 0.000 . . . . . . A 647 LEU CA . 31025 1 632 . 1 . 1 171 171 LEU CB C 13 41.742 0.000 . . . . . . A 647 LEU CB . 31025 1 633 . 1 . 1 171 171 LEU N N 15 122.532 0.000 . . . . . . A 647 LEU N . 31025 1 634 . 1 . 1 172 172 ALA H H 1 8.924 0.000 . . . . . . A 648 ALA H . 31025 1 635 . 1 . 1 172 172 ALA C C 13 177.073 0.000 . . . . . . A 648 ALA C . 31025 1 636 . 1 . 1 172 172 ALA CA C 13 54.520 0.000 . . . . . . A 648 ALA CA . 31025 1 637 . 1 . 1 172 172 ALA N N 15 124.458 0.000 . . . . . . A 648 ALA N . 31025 1 638 . 1 . 1 173 173 GLU H H 1 8.513 0.000 . . . . . . A 649 GLU H . 31025 1 639 . 1 . 1 173 173 GLU C C 13 174.525 0.000 . . . . . . A 649 GLU C . 31025 1 640 . 1 . 1 173 173 GLU CA C 13 59.535 0.000 . . . . . . A 649 GLU CA . 31025 1 641 . 1 . 1 173 173 GLU N N 15 121.327 0.000 . . . . . . A 649 GLU N . 31025 1 642 . 1 . 1 174 174 THR H H 1 8.200 0.000 . . . . . . A 650 THR H . 31025 1 643 . 1 . 1 174 174 THR C C 13 177.248 0.000 . . . . . . A 650 THR C . 31025 1 644 . 1 . 1 174 174 THR CA C 13 61.850 0.000 . . . . . . A 650 THR CA . 31025 1 645 . 1 . 1 174 174 THR CG2 C 13 21.832 0.000 . . . . . . A 650 THR CG2 . 31025 1 646 . 1 . 1 174 174 THR N N 15 114.530 0.000 . . . . . . A 650 THR N . 31025 1 647 . 1 . 1 175 175 GLU H H 1 9.291 0.000 . . . . . . A 651 GLU H . 31025 1 648 . 1 . 1 175 175 GLU C C 13 174.647 0.000 . . . . . . A 651 GLU C . 31025 1 649 . 1 . 1 175 175 GLU CA C 13 60.541 0.000 . . . . . . A 651 GLU CA . 31025 1 650 . 1 . 1 175 175 GLU N N 15 123.133 0.000 . . . . . . A 651 GLU N . 31025 1 651 . 1 . 1 176 176 ALA H H 1 8.832 0.000 . . . . . . A 652 ALA H . 31025 1 652 . 1 . 1 176 176 ALA CA C 13 55.104 0.000 . . . . . . A 652 ALA CA . 31025 1 653 . 1 . 1 176 176 ALA CB C 13 18.032 0.000 . . . . . . A 652 ALA CB . 31025 1 654 . 1 . 1 176 176 ALA N N 15 119.372 0.000 . . . . . . A 652 ALA N . 31025 1 655 . 1 . 1 177 177 GLN H H 1 8.736 0.000 . . . . . . A 653 GLN H . 31025 1 656 . 1 . 1 177 177 GLN C C 13 173.529 0.000 . . . . . . A 653 GLN C . 31025 1 657 . 1 . 1 177 177 GLN CA C 13 59.391 0.000 . . . . . . A 653 GLN CA . 31025 1 658 . 1 . 1 177 177 GLN N N 15 119.141 0.000 . . . . . . A 653 GLN N . 31025 1 659 . 1 . 1 178 178 LYS H H 1 8.278 0.000 . . . . . . A 654 LYS H . 31025 1 660 . 1 . 1 178 178 LYS C C 13 176.743 0.000 . . . . . . A 654 LYS C . 31025 1 661 . 1 . 1 178 178 LYS CA C 13 57.524 0.000 . . . . . . A 654 LYS CA . 31025 1 662 . 1 . 1 178 178 LYS N N 15 117.602 0.000 . . . . . . A 654 LYS N . 31025 1 663 . 1 . 1 179 179 SER H H 1 9.136 0.000 . . . . . . A 655 SER H . 31025 1 664 . 1 . 1 179 179 SER C C 13 175.976 0.000 . . . . . . A 655 SER C . 31025 1 665 . 1 . 1 179 179 SER CA C 13 57.125 0.000 . . . . . . A 655 SER CA . 31025 1 666 . 1 . 1 179 179 SER CB C 13 66.450 0.000 . . . . . . A 655 SER CB . 31025 1 667 . 1 . 1 179 179 SER N N 15 114.976 0.000 . . . . . . A 655 SER N . 31025 1 668 . 1 . 1 180 180 LEU H H 1 9.178 0.000 . . . . . . A 656 LEU H . 31025 1 669 . 1 . 1 180 180 LEU CA C 13 57.600 0.000 . . . . . . A 656 LEU CA . 31025 1 670 . 1 . 1 180 180 LEU CB C 13 40.896 0.000 . . . . . . A 656 LEU CB . 31025 1 671 . 1 . 1 180 180 LEU N N 15 118.325 0.000 . . . . . . A 656 LEU N . 31025 1 672 . 1 . 1 183 183 GLU C C 13 176.530 0.000 . . . . . . A 659 GLU C . 31025 1 673 . 1 . 1 183 183 GLU CA C 13 59.117 0.000 . . . . . . A 659 GLU CA . 31025 1 674 . 1 . 1 183 183 GLU CG C 13 36.137 0.000 . . . . . . A 659 GLU CG . 31025 1 675 . 1 . 1 184 184 GLU H H 1 8.500 0.000 . . . . . . A 660 GLU H . 31025 1 676 . 1 . 1 184 184 GLU CA C 13 59.627 0.000 . . . . . . A 660 GLU CA . 31025 1 677 . 1 . 1 184 184 GLU CG C 13 37.265 0.000 . . . . . . A 660 GLU CG . 31025 1 678 . 1 . 1 184 184 GLU N N 15 118.592 0.000 . . . . . . A 660 GLU N . 31025 1 679 . 1 . 1 194 194 LYS C C 13 174.061 0.000 . . . . . . A 670 LYS C . 31025 1 680 . 1 . 1 194 194 LYS CA C 13 58.925 0.000 . . . . . . A 670 LYS CA . 31025 1 681 . 1 . 1 195 195 GLU H H 1 8.436 0.000 . . . . . . A 671 GLU H . 31025 1 682 . 1 . 1 195 195 GLU C C 13 177.229 0.000 . . . . . . A 671 GLU C . 31025 1 683 . 1 . 1 195 195 GLU CA C 13 54.944 0.000 . . . . . . A 671 GLU CA . 31025 1 684 . 1 . 1 195 195 GLU N N 15 119.155 0.000 . . . . . . A 671 GLU N . 31025 1 685 . 1 . 1 196 196 GLU H H 1 9.090 0.000 . . . . . . A 672 GLU H . 31025 1 686 . 1 . 1 196 196 GLU C C 13 176.474 0.000 . . . . . . A 672 GLU C . 31025 1 687 . 1 . 1 196 196 GLU CA C 13 57.019 0.000 . . . . . . A 672 GLU CA . 31025 1 688 . 1 . 1 196 196 GLU N N 15 118.819 0.000 . . . . . . A 672 GLU N . 31025 1 689 . 1 . 1 197 197 ILE H H 1 8.780 0.000 . . . . . . A 673 ILE H . 31025 1 690 . 1 . 1 197 197 ILE C C 13 174.520 0.000 . . . . . . A 673 ILE C . 31025 1 691 . 1 . 1 197 197 ILE CA C 13 58.810 0.000 . . . . . . A 673 ILE CA . 31025 1 692 . 1 . 1 197 197 ILE CG2 C 13 18.267 0.000 . . . . . . A 673 ILE CG2 . 31025 1 693 . 1 . 1 197 197 ILE N N 15 124.991 0.000 . . . . . . A 673 ILE N . 31025 1 694 . 1 . 1 198 198 SER H H 1 7.891 0.000 . . . . . . A 674 SER H . 31025 1 695 . 1 . 1 198 198 SER C C 13 176.277 0.000 . . . . . . A 674 SER C . 31025 1 696 . 1 . 1 198 198 SER CA C 13 59.849 0.000 . . . . . . A 674 SER CA . 31025 1 697 . 1 . 1 198 198 SER CB C 13 62.744 0.000 . . . . . . A 674 SER CB . 31025 1 698 . 1 . 1 198 198 SER N N 15 119.604 0.000 . . . . . . A 674 SER N . 31025 1 699 . 1 . 1 199 199 GLN H H 1 8.628 0.000 . . . . . . A 675 GLN H . 31025 1 700 . 1 . 1 199 199 GLN C C 13 172.680 0.000 . . . . . . A 675 GLN C . 31025 1 701 . 1 . 1 199 199 GLN CA C 13 58.266 0.000 . . . . . . A 675 GLN CA . 31025 1 702 . 1 . 1 199 199 GLN CG C 13 33.003 0.000 . . . . . . A 675 GLN CG . 31025 1 703 . 1 . 1 199 199 GLN N N 15 119.659 0.000 . . . . . . A 675 GLN N . 31025 1 704 . 1 . 1 200 200 LEU H H 1 8.148 0.000 . . . . . . A 676 LEU H . 31025 1 705 . 1 . 1 200 200 LEU C C 13 172.527 0.000 . . . . . . A 676 LEU C . 31025 1 706 . 1 . 1 200 200 LEU CA C 13 59.514 0.000 . . . . . . A 676 LEU CA . 31025 1 707 . 1 . 1 200 200 LEU N N 15 118.750 0.000 . . . . . . A 676 LEU N . 31025 1 708 . 1 . 1 201 201 ARG H H 1 8.557 0.000 . . . . . . A 677 ARG H . 31025 1 709 . 1 . 1 201 201 ARG C C 13 177.386 0.000 . . . . . . A 677 ARG C . 31025 1 710 . 1 . 1 201 201 ARG CA C 13 59.630 0.000 . . . . . . A 677 ARG CA . 31025 1 711 . 1 . 1 201 201 ARG N N 15 118.689 0.000 . . . . . . A 677 ARG N . 31025 1 712 . 1 . 1 202 202 GLN H H 1 8.052 0.000 . . . . . . A 678 GLN H . 31025 1 713 . 1 . 1 202 202 GLN C C 13 175.969 0.000 . . . . . . A 678 GLN C . 31025 1 714 . 1 . 1 202 202 GLN CA C 13 55.791 0.000 . . . . . . A 678 GLN CA . 31025 1 715 . 1 . 1 202 202 GLN N N 15 117.977 0.000 . . . . . . A 678 GLN N . 31025 1 716 . 1 . 1 203 203 GLU H H 1 8.759 0.000 . . . . . . A 679 GLU H . 31025 1 717 . 1 . 1 203 203 GLU C C 13 173.451 0.000 . . . . . . A 679 GLU C . 31025 1 718 . 1 . 1 203 203 GLU CA C 13 59.734 0.000 . . . . . . A 679 GLU CA . 31025 1 719 . 1 . 1 203 203 GLU N N 15 119.459 0.000 . . . . . . A 679 GLU N . 31025 1 720 . 1 . 1 204 204 LEU H H 1 7.970 0.000 . . . . . . A 680 LEU H . 31025 1 721 . 1 . 1 204 204 LEU CA C 13 58.198 0.000 . . . . . . A 680 LEU CA . 31025 1 722 . 1 . 1 204 204 LEU N N 15 119.265 0.000 . . . . . . A 680 LEU N . 31025 1 723 . 1 . 1 205 205 VAL H H 1 8.166 0.000 . . . . . . A 681 VAL H . 31025 1 724 . 1 . 1 205 205 VAL C C 13 178.217 0.000 . . . . . . A 681 VAL C . 31025 1 725 . 1 . 1 205 205 VAL CA C 13 59.268 0.000 . . . . . . A 681 VAL CA . 31025 1 726 . 1 . 1 205 205 VAL N N 15 118.518 0.000 . . . . . . A 681 VAL N . 31025 1 727 . 1 . 1 206 206 HIS H H 1 8.336 0.000 . . . . . . A 682 HIS H . 31025 1 728 . 1 . 1 206 206 HIS C C 13 177.093 0.000 . . . . . . A 682 HIS C . 31025 1 729 . 1 . 1 206 206 HIS CA C 13 55.641 0.000 . . . . . . A 682 HIS CA . 31025 1 730 . 1 . 1 206 206 HIS CB C 13 31.539 0.000 . . . . . . A 682 HIS CB . 31025 1 731 . 1 . 1 206 206 HIS CG C 13 131.981 0.000 . . . . . . A 682 HIS CG . 31025 1 732 . 1 . 1 206 206 HIS CD2 C 13 120.390 0.000 . . . . . . A 682 HIS CD2 . 31025 1 733 . 1 . 1 206 206 HIS CE1 C 13 135.866 0.000 . . . . . . A 682 HIS CE1 . 31025 1 734 . 1 . 1 206 206 HIS N N 15 117.841 0.000 . . . . . . A 682 HIS N . 31025 1 735 . 1 . 1 207 207 LYS H H 1 8.963 0.000 . . . . . . A 683 LYS H . 31025 1 736 . 1 . 1 207 207 LYS C C 13 177.380 0.000 . . . . . . A 683 LYS C . 31025 1 737 . 1 . 1 207 207 LYS CA C 13 54.994 0.000 . . . . . . A 683 LYS CA . 31025 1 738 . 1 . 1 207 207 LYS N N 15 121.496 0.000 . . . . . . A 683 LYS N . 31025 1 739 . 1 . 1 208 208 ALA H H 1 9.103 0.000 . . . . . . A 684 ALA H . 31025 1 740 . 1 . 1 208 208 ALA C C 13 178.516 0.000 . . . . . . A 684 ALA C . 31025 1 741 . 1 . 1 208 208 ALA CA C 13 50.665 0.000 . . . . . . A 684 ALA CA . 31025 1 742 . 1 . 1 208 208 ALA CB C 13 23.061 0.000 . . . . . . A 684 ALA CB . 31025 1 743 . 1 . 1 208 208 ALA N N 15 123.152 0.000 . . . . . . A 684 ALA N . 31025 1 744 . 1 . 1 209 209 LYS H H 1 8.563 0.000 . . . . . . A 685 LYS H . 31025 1 745 . 1 . 1 209 209 LYS CA C 13 55.921 0.000 . . . . . . A 685 LYS CA . 31025 1 746 . 1 . 1 209 209 LYS N N 15 122.657 0.000 . . . . . . A 685 LYS N . 31025 1 747 . 1 . 1 210 210 PRO C C 13 177.329 0.000 . . . . . . A 686 PRO C . 31025 1 748 . 1 . 1 210 210 PRO CA C 13 63.431 0.000 . . . . . . A 686 PRO CA . 31025 1 749 . 1 . 1 211 211 ILE H H 1 9.190 0.000 . . . . . . A 687 ILE H . 31025 1 750 . 1 . 1 211 211 ILE C C 13 177.326 0.000 . . . . . . A 687 ILE C . 31025 1 751 . 1 . 1 211 211 ILE CA C 13 61.166 0.000 . . . . . . A 687 ILE CA . 31025 1 752 . 1 . 1 211 211 ILE CB C 13 38.637 0.000 . . . . . . A 687 ILE CB . 31025 1 753 . 1 . 1 211 211 ILE CG2 C 13 17.715 0.000 . . . . . . A 687 ILE CG2 . 31025 1 754 . 1 . 1 211 211 ILE N N 15 123.970 0.000 . . . . . . A 687 ILE N . 31025 1 755 . 1 . 1 212 212 ARG H H 1 9.121 0.000 . . . . . . A 688 ARG H . 31025 1 756 . 1 . 1 212 212 ARG C C 13 177.540 0.000 . . . . . . A 688 ARG C . 31025 1 757 . 1 . 1 212 212 ARG CA C 13 57.270 0.000 . . . . . . A 688 ARG CA . 31025 1 758 . 1 . 1 212 212 ARG N N 15 123.674 0.000 . . . . . . A 688 ARG N . 31025 1 759 . 1 . 1 213 213 LYS H H 1 9.463 0.000 . . . . . . A 689 LYS H . 31025 1 760 . 1 . 1 213 213 LYS CA C 13 56.715 0.000 . . . . . . A 689 LYS CA . 31025 1 761 . 1 . 1 213 213 LYS CB C 13 30.027 0.000 . . . . . . A 689 LYS CB . 31025 1 762 . 1 . 1 213 213 LYS CD C 13 26.508 0.000 . . . . . . A 689 LYS CD . 31025 1 763 . 1 . 1 213 213 LYS CE C 13 41.656 0.000 . . . . . . A 689 LYS CE . 31025 1 764 . 1 . 1 213 213 LYS N N 15 125.529 0.000 . . . . . . A 689 LYS N . 31025 1 765 . 1 . 1 214 214 TYR H H 1 9.453 0.000 . . . . . . A 690 TYR H . 31025 1 766 . 1 . 1 214 214 TYR C C 13 176.801 0.000 . . . . . . A 690 TYR C . 31025 1 767 . 1 . 1 214 214 TYR CA C 13 59.306 0.000 . . . . . . A 690 TYR CA . 31025 1 768 . 1 . 1 214 214 TYR CB C 13 39.219 0.000 . . . . . . A 690 TYR CB . 31025 1 769 . 1 . 1 214 214 TYR CG C 13 130.727 0.000 . . . . . . A 690 TYR CG . 31025 1 770 . 1 . 1 214 214 TYR CD1 C 13 134.321 0.000 . . . . . . A 690 TYR CD1 . 31025 1 771 . 1 . 1 214 214 TYR CE1 C 13 117.395 0.000 . . . . . . A 690 TYR CE1 . 31025 1 772 . 1 . 1 214 214 TYR N N 15 122.702 0.000 . . . . . . A 690 TYR N . 31025 1 773 . 1 . 1 215 215 ARG H H 1 8.220 0.000 . . . . . . A 691 ARG H . 31025 1 774 . 1 . 1 215 215 ARG C C 13 178.727 0.000 . . . . . . A 691 ARG C . 31025 1 775 . 1 . 1 215 215 ARG CA C 13 56.485 0.000 . . . . . . A 691 ARG CA . 31025 1 776 . 1 . 1 215 215 ARG N N 15 121.570 0.000 . . . . . . A 691 ARG N . 31025 1 777 . 1 . 1 216 216 ALA H H 1 8.361 0.000 . . . . . . A 692 ALA H . 31025 1 778 . 1 . 1 216 216 ALA C C 13 177.189 0.000 . . . . . . A 692 ALA C . 31025 1 779 . 1 . 1 216 216 ALA CA C 13 54.694 0.000 . . . . . . A 692 ALA CA . 31025 1 780 . 1 . 1 216 216 ALA CB C 13 18.813 0.000 . . . . . . A 692 ALA CB . 31025 1 781 . 1 . 1 216 216 ALA N N 15 124.129 0.000 . . . . . . A 692 ALA N . 31025 1 782 . 1 . 1 217 217 VAL H H 1 9.068 0.000 . . . . . . A 693 VAL H . 31025 1 783 . 1 . 1 217 217 VAL C C 13 176.217 0.000 . . . . . . A 693 VAL C . 31025 1 784 . 1 . 1 217 217 VAL CA C 13 60.323 0.000 . . . . . . A 693 VAL CA . 31025 1 785 . 1 . 1 217 217 VAL CG2 C 13 21.118 0.000 . . . . . . A 693 VAL CG2 . 31025 1 786 . 1 . 1 217 217 VAL N N 15 123.646 0.000 . . . . . . A 693 VAL N . 31025 1 787 . 1 . 1 218 218 GLU H H 1 9.107 0.000 . . . . . . A 694 GLU H . 31025 1 788 . 1 . 1 218 218 GLU C C 13 177.499 0.000 . . . . . . A 694 GLU C . 31025 1 789 . 1 . 1 218 218 GLU CA C 13 59.016 0.000 . . . . . . A 694 GLU CA . 31025 1 790 . 1 . 1 218 218 GLU N N 15 120.711 0.000 . . . . . . A 694 GLU N . 31025 1 791 . 1 . 1 219 219 VAL H H 1 8.179 0.000 . . . . . . A 695 VAL H . 31025 1 792 . 1 . 1 219 219 VAL C C 13 176.016 0.000 . . . . . . A 695 VAL C . 31025 1 793 . 1 . 1 219 219 VAL CA C 13 62.913 0.000 . . . . . . A 695 VAL CA . 31025 1 794 . 1 . 1 219 219 VAL CG2 C 13 21.346 0.000 . . . . . . A 695 VAL CG2 . 31025 1 795 . 1 . 1 219 219 VAL N N 15 119.286 0.000 . . . . . . A 695 VAL N . 31025 1 796 . 1 . 1 220 220 LYS H H 1 8.551 0.000 . . . . . . A 696 LYS H . 31025 1 797 . 1 . 1 220 220 LYS C C 13 176.370 0.000 . . . . . . A 696 LYS C . 31025 1 798 . 1 . 1 220 220 LYS CA C 13 56.206 0.000 . . . . . . A 696 LYS CA . 31025 1 799 . 1 . 1 220 220 LYS N N 15 120.029 0.000 . . . . . . A 696 LYS N . 31025 1 800 . 1 . 1 221 221 ALA H H 1 8.930 0.000 . . . . . . A 697 ALA H . 31025 1 801 . 1 . 1 221 221 ALA C C 13 173.177 0.000 . . . . . . A 697 ALA C . 31025 1 802 . 1 . 1 221 221 ALA CA C 13 55.064 0.000 . . . . . . A 697 ALA CA . 31025 1 803 . 1 . 1 221 221 ALA N N 15 125.589 0.000 . . . . . . A 697 ALA N . 31025 1 804 . 1 . 1 222 222 SER H H 1 7.872 0.000 . . . . . . A 698 SER H . 31025 1 805 . 1 . 1 222 222 SER C C 13 178.848 0.000 . . . . . . A 698 SER C . 31025 1 806 . 1 . 1 222 222 SER CA C 13 59.455 0.000 . . . . . . A 698 SER CA . 31025 1 807 . 1 . 1 222 222 SER N N 15 118.798 0.000 . . . . . . A 698 SER N . 31025 1 808 . 1 . 1 223 223 ASP H H 1 8.060 0.000 . . . . . . A 699 ASP H . 31025 1 809 . 1 . 1 223 223 ASP C C 13 177.230 0.000 . . . . . . A 699 ASP C . 31025 1 810 . 1 . 1 223 223 ASP CA C 13 54.027 0.000 . . . . . . A 699 ASP CA . 31025 1 811 . 1 . 1 223 223 ASP N N 15 119.495 0.000 . . . . . . A 699 ASP N . 31025 1 812 . 1 . 1 224 224 VAL H H 1 9.020 0.000 . . . . . . A 700 VAL H . 31025 1 813 . 1 . 1 224 224 VAL CA C 13 61.075 0.000 . . . . . . A 700 VAL CA . 31025 1 814 . 1 . 1 224 224 VAL N N 15 123.763 0.000 . . . . . . A 700 VAL N . 31025 1 815 . 1 . 1 225 225 PRO C C 13 177.168 0.000 . . . . . . A 701 PRO C . 31025 1 816 . 1 . 1 225 225 PRO CA C 13 62.810 0.000 . . . . . . A 701 PRO CA . 31025 1 817 . 1 . 1 225 225 PRO CD C 13 50.911 0.000 . . . . . . A 701 PRO CD . 31025 1 818 . 1 . 1 226 226 LEU H H 1 8.907 0.000 . . . . . . A 702 LEU H . 31025 1 819 . 1 . 1 226 226 LEU C C 13 176.306 0.000 . . . . . . A 702 LEU C . 31025 1 820 . 1 . 1 226 226 LEU CA C 13 55.225 0.000 . . . . . . A 702 LEU CA . 31025 1 821 . 1 . 1 226 226 LEU N N 15 121.912 0.000 . . . . . . A 702 LEU N . 31025 1 822 . 1 . 1 228 228 VAL H H 1 9.255 0.000 . . . . . . A 704 VAL H . 31025 1 823 . 1 . 1 228 228 VAL CA C 13 60.744 0.000 . . . . . . A 704 VAL CA . 31025 1 824 . 1 . 1 228 228 VAL CG2 C 13 21.461 0.000 . . . . . . A 704 VAL CG2 . 31025 1 825 . 1 . 1 228 228 VAL N N 15 124.988 0.000 . . . . . . A 704 VAL N . 31025 1 826 . 1 . 1 229 229 PRO C C 13 175.774 0.000 . . . . . . A 705 PRO C . 31025 1 827 . 1 . 1 229 229 PRO CA C 13 63.369 0.000 . . . . . . A 705 PRO CA . 31025 1 828 . 1 . 1 230 230 ARG H H 1 8.522 0.000 . . . . . . A 706 ARG H . 31025 1 829 . 1 . 1 230 230 ARG C C 13 176.787 0.000 . . . . . . A 706 ARG C . 31025 1 830 . 1 . 1 230 230 ARG CA C 13 54.257 0.000 . . . . . . A 706 ARG CA . 31025 1 831 . 1 . 1 230 230 ARG CB C 13 29.987 0.000 . . . . . . A 706 ARG CB . 31025 1 832 . 1 . 1 230 230 ARG N N 15 120.569 0.000 . . . . . . A 706 ARG N . 31025 1 833 . 1 . 1 231 231 SER H H 1 9.304 0.000 . . . . . . A 707 SER H . 31025 1 834 . 1 . 1 231 231 SER CA C 13 57.438 0.000 . . . . . . A 707 SER CA . 31025 1 835 . 1 . 1 231 231 SER CB C 13 63.940 0.000 . . . . . . A 707 SER CB . 31025 1 836 . 1 . 1 231 231 SER N N 15 119.539 0.000 . . . . . . A 707 SER N . 31025 1 837 . 1 . 1 237 237 ARG H H 1 9.039 0.000 . . . . . . A 713 ARG H . 31025 1 838 . 1 . 1 237 237 ARG CA C 13 54.972 0.000 . . . . . . A 713 ARG CA . 31025 1 839 . 1 . 1 237 237 ARG CD C 13 42.955 0.000 . . . . . . A 713 ARG CD . 31025 1 840 . 1 . 1 237 237 ARG N N 15 123.745 0.000 . . . . . . A 713 ARG N . 31025 1 841 . 1 . 1 238 238 PHE H H 1 9.638 0.000 . . . . . . A 714 PHE H . 31025 1 842 . 1 . 1 238 238 PHE CA C 13 61.751 0.000 . . . . . . A 714 PHE CA . 31025 1 843 . 1 . 1 238 238 PHE CB C 13 38.897 0.000 . . . . . . A 714 PHE CB . 31025 1 844 . 1 . 1 238 238 PHE CD1 C 13 132.787 0.000 . . . . . . A 714 PHE CD1 . 31025 1 845 . 1 . 1 238 238 PHE CE1 C 13 131.163 0.000 . . . . . . A 714 PHE CE1 . 31025 1 846 . 1 . 1 238 238 PHE N N 15 122.443 0.000 . . . . . . A 714 PHE N . 31025 1 847 . 1 . 1 239 239 LYS H H 1 9.211 0.000 . . . . . . A 715 LYS H . 31025 1 848 . 1 . 1 239 239 LYS CA C 13 58.745 0.000 . . . . . . A 715 LYS CA . 31025 1 849 . 1 . 1 239 239 LYS CB C 13 32.093 0.000 . . . . . . A 715 LYS CB . 31025 1 850 . 1 . 1 239 239 LYS CE C 13 41.582 0.000 . . . . . . A 715 LYS CE . 31025 1 851 . 1 . 1 239 239 LYS N N 15 126.606 0.000 . . . . . . A 715 LYS N . 31025 1 stop_ save_