data_28110 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28110 _Entry.Title ; Backbone and ILV methyl assignments for REC3 domain of SpCas9 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-27 _Entry.Accession_date 2020-03-27 _Entry.Last_release_date 2020-03-27 _Entry.Original_release_date 2020-03-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Viviane 'De Paula' . . . . 28110 2 Nikolaos Sgourakis . . . . 28110 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 28110 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 304 28110 '15N chemical shifts' 86 28110 '1H chemical shifts' 341 28110 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 3 . . 2022-04-06 2020-03-27 update author 'update assignments' 28110 2 . . 2021-07-16 2020-03-27 update BMRB 'update entry citation' 28110 1 . . 2020-12-02 2020-03-27 original author 'original release' 28110 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 28110 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33514730 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Backbone-independent NMR resonance assignments of methyl probes in large proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 12 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 691 _Citation.Page_last 691 _Citation.Year 2021 _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 Santrupti Nerli S. . . . 28110 1 2 Viviane 'De Paula' V. S. . . 28110 1 3 Andrew McShan A. C. . . 28110 1 4 Nikolaos Sgourakis N. G. . . 28110 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28110 _Assembly.ID 1 _Assembly.Name REC3 _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 REC3 1 $REC3_domain A . yes native no no . . . 28110 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 4cmp . . . . . . 28110 1 yes PDB 4zt0 . . . . . . 28110 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_REC3_domain _Entity.Sf_category entity _Entity.Sf_framecode REC3_domain _Entity.Entry_ID 28110 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name REC3_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; KVLPKHSLLYEYFTVYNELT KVKYVTEGMRKPAFLSGEQK KAIVDLLFKTNRKVTVKQLK EDYFKKIECFDSVEISGVED RFNASLGTYHDLLKIIKDKD FLDNEENEDILEDIVLTLTL FEDREMIEERLKTYAHLFDD KVMKQLKRRRYTGWGRLSRK LINGIRDKQSGKTILDFLKS DGFANRNFMQLIHDDSLTFK EDIQKAQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 506-712 _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 207 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The first residue with number 1 is in reality the 506th residue.' _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 1 506 LYS . 28110 1 2 507 VAL . 28110 1 3 508 LEU . 28110 1 4 509 PRO . 28110 1 5 510 LYS . 28110 1 6 511 HIS . 28110 1 7 512 SER . 28110 1 8 513 LEU . 28110 1 9 514 LEU . 28110 1 10 515 TYR . 28110 1 11 516 GLU . 28110 1 12 517 TYR . 28110 1 13 518 PHE . 28110 1 14 519 THR . 28110 1 15 520 VAL . 28110 1 16 521 TYR . 28110 1 17 522 ASN . 28110 1 18 523 GLU . 28110 1 19 524 LEU . 28110 1 20 525 THR . 28110 1 21 526 LYS . 28110 1 22 527 VAL . 28110 1 23 528 LYS . 28110 1 24 529 TYR . 28110 1 25 530 VAL . 28110 1 26 531 THR . 28110 1 27 532 GLU . 28110 1 28 533 GLY . 28110 1 29 534 MET . 28110 1 30 535 ARG . 28110 1 31 536 LYS . 28110 1 32 537 PRO . 28110 1 33 538 ALA . 28110 1 34 539 PHE . 28110 1 35 540 LEU . 28110 1 36 541 SER . 28110 1 37 542 GLY . 28110 1 38 543 GLU . 28110 1 39 544 GLN . 28110 1 40 545 LYS . 28110 1 41 546 LYS . 28110 1 42 547 ALA . 28110 1 43 548 ILE . 28110 1 44 549 VAL . 28110 1 45 550 ASP . 28110 1 46 551 LEU . 28110 1 47 552 LEU . 28110 1 48 553 PHE . 28110 1 49 554 LYS . 28110 1 50 555 THR . 28110 1 51 556 ASN . 28110 1 52 557 ARG . 28110 1 53 558 LYS . 28110 1 54 559 VAL . 28110 1 55 560 THR . 28110 1 56 561 VAL . 28110 1 57 562 LYS . 28110 1 58 563 GLN . 28110 1 59 564 LEU . 28110 1 60 565 LYS . 28110 1 61 566 GLU . 28110 1 62 567 ASP . 28110 1 63 568 TYR . 28110 1 64 569 PHE . 28110 1 65 570 LYS . 28110 1 66 571 LYS . 28110 1 67 572 ILE . 28110 1 68 573 GLU . 28110 1 69 574 CYS . 28110 1 70 575 PHE . 28110 1 71 576 ASP . 28110 1 72 577 SER . 28110 1 73 578 VAL . 28110 1 74 579 GLU . 28110 1 75 580 ILE . 28110 1 76 581 SER . 28110 1 77 582 GLY . 28110 1 78 583 VAL . 28110 1 79 584 GLU . 28110 1 80 585 ASP . 28110 1 81 586 ARG . 28110 1 82 587 PHE . 28110 1 83 588 ASN . 28110 1 84 589 ALA . 28110 1 85 590 SER . 28110 1 86 591 LEU . 28110 1 87 592 GLY . 28110 1 88 593 THR . 28110 1 89 594 TYR . 28110 1 90 595 HIS . 28110 1 91 596 ASP . 28110 1 92 597 LEU . 28110 1 93 598 LEU . 28110 1 94 599 LYS . 28110 1 95 600 ILE . 28110 1 96 601 ILE . 28110 1 97 602 LYS . 28110 1 98 603 ASP . 28110 1 99 604 LYS . 28110 1 100 605 ASP . 28110 1 101 606 PHE . 28110 1 102 607 LEU . 28110 1 103 608 ASP . 28110 1 104 609 ASN . 28110 1 105 610 GLU . 28110 1 106 611 GLU . 28110 1 107 612 ASN . 28110 1 108 613 GLU . 28110 1 109 614 ASP . 28110 1 110 615 ILE . 28110 1 111 616 LEU . 28110 1 112 617 GLU . 28110 1 113 618 ASP . 28110 1 114 619 ILE . 28110 1 115 620 VAL . 28110 1 116 621 LEU . 28110 1 117 622 THR . 28110 1 118 623 LEU . 28110 1 119 624 THR . 28110 1 120 625 LEU . 28110 1 121 626 PHE . 28110 1 122 627 GLU . 28110 1 123 628 ASP . 28110 1 124 629 ARG . 28110 1 125 630 GLU . 28110 1 126 631 MET . 28110 1 127 632 ILE . 28110 1 128 633 GLU . 28110 1 129 634 GLU . 28110 1 130 635 ARG . 28110 1 131 636 LEU . 28110 1 132 637 LYS . 28110 1 133 638 THR . 28110 1 134 639 TYR . 28110 1 135 640 ALA . 28110 1 136 641 HIS . 28110 1 137 642 LEU . 28110 1 138 643 PHE . 28110 1 139 644 ASP . 28110 1 140 645 ASP . 28110 1 141 646 LYS . 28110 1 142 647 VAL . 28110 1 143 648 MET . 28110 1 144 649 LYS . 28110 1 145 650 GLN . 28110 1 146 651 LEU . 28110 1 147 652 LYS . 28110 1 148 653 ARG . 28110 1 149 654 ARG . 28110 1 150 655 ARG . 28110 1 151 656 TYR . 28110 1 152 657 THR . 28110 1 153 658 GLY . 28110 1 154 659 TRP . 28110 1 155 660 GLY . 28110 1 156 661 ARG . 28110 1 157 662 LEU . 28110 1 158 663 SER . 28110 1 159 664 ARG . 28110 1 160 665 LYS . 28110 1 161 666 LEU . 28110 1 162 667 ILE . 28110 1 163 668 ASN . 28110 1 164 669 GLY . 28110 1 165 670 ILE . 28110 1 166 671 ARG . 28110 1 167 672 ASP . 28110 1 168 673 LYS . 28110 1 169 674 GLN . 28110 1 170 675 SER . 28110 1 171 676 GLY . 28110 1 172 677 LYS . 28110 1 173 678 THR . 28110 1 174 679 ILE . 28110 1 175 680 LEU . 28110 1 176 681 ASP . 28110 1 177 682 PHE . 28110 1 178 683 LEU . 28110 1 179 684 LYS . 28110 1 180 685 SER . 28110 1 181 686 ASP . 28110 1 182 687 GLY . 28110 1 183 688 PHE . 28110 1 184 689 ALA . 28110 1 185 690 ASN . 28110 1 186 691 ARG . 28110 1 187 692 ASN . 28110 1 188 693 PHE . 28110 1 189 694 MET . 28110 1 190 695 GLN . 28110 1 191 696 LEU . 28110 1 192 697 ILE . 28110 1 193 698 HIS . 28110 1 194 699 ASP . 28110 1 195 700 ASP . 28110 1 196 701 SER . 28110 1 197 702 LEU . 28110 1 198 703 THR . 28110 1 199 704 PHE . 28110 1 200 705 LYS . 28110 1 201 706 GLU . 28110 1 202 707 ASP . 28110 1 203 708 ILE . 28110 1 204 709 GLN . 28110 1 205 710 LYS . 28110 1 206 711 ALA . 28110 1 207 712 GLN . 28110 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 . LYS 1 1 28110 1 . VAL 2 2 28110 1 . LEU 3 3 28110 1 . PRO 4 4 28110 1 . LYS 5 5 28110 1 . HIS 6 6 28110 1 . SER 7 7 28110 1 . LEU 8 8 28110 1 . LEU 9 9 28110 1 . TYR 10 10 28110 1 . GLU 11 11 28110 1 . TYR 12 12 28110 1 . PHE 13 13 28110 1 . THR 14 14 28110 1 . VAL 15 15 28110 1 . TYR 16 16 28110 1 . ASN 17 17 28110 1 . GLU 18 18 28110 1 . LEU 19 19 28110 1 . THR 20 20 28110 1 . LYS 21 21 28110 1 . VAL 22 22 28110 1 . LYS 23 23 28110 1 . TYR 24 24 28110 1 . VAL 25 25 28110 1 . THR 26 26 28110 1 . GLU 27 27 28110 1 . GLY 28 28 28110 1 . MET 29 29 28110 1 . ARG 30 30 28110 1 . LYS 31 31 28110 1 . PRO 32 32 28110 1 . ALA 33 33 28110 1 . PHE 34 34 28110 1 . LEU 35 35 28110 1 . SER 36 36 28110 1 . GLY 37 37 28110 1 . GLU 38 38 28110 1 . GLN 39 39 28110 1 . LYS 40 40 28110 1 . LYS 41 41 28110 1 . ALA 42 42 28110 1 . ILE 43 43 28110 1 . VAL 44 44 28110 1 . ASP 45 45 28110 1 . LEU 46 46 28110 1 . LEU 47 47 28110 1 . PHE 48 48 28110 1 . LYS 49 49 28110 1 . THR 50 50 28110 1 . ASN 51 51 28110 1 . ARG 52 52 28110 1 . LYS 53 53 28110 1 . VAL 54 54 28110 1 . THR 55 55 28110 1 . VAL 56 56 28110 1 . LYS 57 57 28110 1 . GLN 58 58 28110 1 . LEU 59 59 28110 1 . LYS 60 60 28110 1 . GLU 61 61 28110 1 . ASP 62 62 28110 1 . TYR 63 63 28110 1 . PHE 64 64 28110 1 . LYS 65 65 28110 1 . LYS 66 66 28110 1 . ILE 67 67 28110 1 . GLU 68 68 28110 1 . CYS 69 69 28110 1 . PHE 70 70 28110 1 . ASP 71 71 28110 1 . SER 72 72 28110 1 . VAL 73 73 28110 1 . GLU 74 74 28110 1 . ILE 75 75 28110 1 . SER 76 76 28110 1 . GLY 77 77 28110 1 . VAL 78 78 28110 1 . GLU 79 79 28110 1 . ASP 80 80 28110 1 . ARG 81 81 28110 1 . PHE 82 82 28110 1 . ASN 83 83 28110 1 . ALA 84 84 28110 1 . SER 85 85 28110 1 . LEU 86 86 28110 1 . GLY 87 87 28110 1 . THR 88 88 28110 1 . TYR 89 89 28110 1 . HIS 90 90 28110 1 . ASP 91 91 28110 1 . LEU 92 92 28110 1 . LEU 93 93 28110 1 . LYS 94 94 28110 1 . ILE 95 95 28110 1 . ILE 96 96 28110 1 . LYS 97 97 28110 1 . ASP 98 98 28110 1 . LYS 99 99 28110 1 . ASP 100 100 28110 1 . PHE 101 101 28110 1 . LEU 102 102 28110 1 . ASP 103 103 28110 1 . ASN 104 104 28110 1 . GLU 105 105 28110 1 . GLU 106 106 28110 1 . ASN 107 107 28110 1 . GLU 108 108 28110 1 . ASP 109 109 28110 1 . ILE 110 110 28110 1 . LEU 111 111 28110 1 . GLU 112 112 28110 1 . ASP 113 113 28110 1 . ILE 114 114 28110 1 . VAL 115 115 28110 1 . LEU 116 116 28110 1 . THR 117 117 28110 1 . LEU 118 118 28110 1 . THR 119 119 28110 1 . LEU 120 120 28110 1 . PHE 121 121 28110 1 . GLU 122 122 28110 1 . ASP 123 123 28110 1 . ARG 124 124 28110 1 . GLU 125 125 28110 1 . MET 126 126 28110 1 . ILE 127 127 28110 1 . GLU 128 128 28110 1 . GLU 129 129 28110 1 . ARG 130 130 28110 1 . LEU 131 131 28110 1 . LYS 132 132 28110 1 . THR 133 133 28110 1 . TYR 134 134 28110 1 . ALA 135 135 28110 1 . HIS 136 136 28110 1 . LEU 137 137 28110 1 . PHE 138 138 28110 1 . ASP 139 139 28110 1 . ASP 140 140 28110 1 . LYS 141 141 28110 1 . VAL 142 142 28110 1 . MET 143 143 28110 1 . LYS 144 144 28110 1 . GLN 145 145 28110 1 . LEU 146 146 28110 1 . LYS 147 147 28110 1 . ARG 148 148 28110 1 . ARG 149 149 28110 1 . ARG 150 150 28110 1 . TYR 151 151 28110 1 . THR 152 152 28110 1 . GLY 153 153 28110 1 . TRP 154 154 28110 1 . GLY 155 155 28110 1 . ARG 156 156 28110 1 . LEU 157 157 28110 1 . SER 158 158 28110 1 . ARG 159 159 28110 1 . LYS 160 160 28110 1 . LEU 161 161 28110 1 . ILE 162 162 28110 1 . ASN 163 163 28110 1 . GLY 164 164 28110 1 . ILE 165 165 28110 1 . ARG 166 166 28110 1 . ASP 167 167 28110 1 . LYS 168 168 28110 1 . GLN 169 169 28110 1 . SER 170 170 28110 1 . GLY 171 171 28110 1 . LYS 172 172 28110 1 . THR 173 173 28110 1 . ILE 174 174 28110 1 . LEU 175 175 28110 1 . ASP 176 176 28110 1 . PHE 177 177 28110 1 . LEU 178 178 28110 1 . LYS 179 179 28110 1 . SER 180 180 28110 1 . ASP 181 181 28110 1 . GLY 182 182 28110 1 . PHE 183 183 28110 1 . ALA 184 184 28110 1 . ASN 185 185 28110 1 . ARG 186 186 28110 1 . ASN 187 187 28110 1 . PHE 188 188 28110 1 . MET 189 189 28110 1 . GLN 190 190 28110 1 . LEU 191 191 28110 1 . ILE 192 192 28110 1 . HIS 193 193 28110 1 . ASP 194 194 28110 1 . ASP 195 195 28110 1 . SER 196 196 28110 1 . LEU 197 197 28110 1 . THR 198 198 28110 1 . PHE 199 199 28110 1 . LYS 200 200 28110 1 . GLU 201 201 28110 1 . ASP 202 202 28110 1 . ILE 203 203 28110 1 . GLN 204 204 28110 1 . LYS 205 205 28110 1 . ALA 206 206 28110 1 . GLN 207 207 28110 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 28110 _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 $REC3_domain . 1314 organism . 'Streptococcus pyogenes' 'Streptococcus pyogenes' . . Bacteria . Streptococcus pyogenes . . . . . . . . . . . . . 28110 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 28110 _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 $REC3_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET . . . 28110 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28110 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'REC3 domain' '[U-2H; U-15N; U-13C; ILV]' . . 1 $REC3_domain . . 0.7 . . mM . . . . 28110 1 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 28110 1 3 KCl 'natural abundance' . . . . . . 200 . . mM . . . . 28110 1 4 glycerol-d8 'natural abundance' . . . . . . 5 . . % . . . . 28110 1 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 28110 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 28110 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'REC3 domain' '[U-15N; U-2H; U-13C-all methyl carbons]' . . 1 $REC3_domain . . 0.5 . . mM . . . . 28110 2 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 28110 2 3 KCl 'natural abundance' . . . . . . 200 . . mM . . . . 28110 2 4 glycerol-d8 'natural abundance' . . . . . . 5 . . % . . . . 28110 2 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 28110 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 28110 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'REC3 domain' '[U-15N; U-2H; U-13C; IL(CD2)V(CG2)]' . . 1 $REC3_domain . . 0.3 . . mM . . . . 28110 3 2 Tris 'natural abundance' . . . . . . 20 . . mM . . . . 28110 3 3 KCl 'natural abundance' . . . . . . 200 . . mM . . . . 28110 3 4 glycerol-d8 'natural abundance' . . . . . . 5 . . % . . . . 28110 3 5 TCEP 'natural abundance' . . . . . . 1 . . mM . . . . 28110 3 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 28110 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details '20mM Tris pH7.5, 200mM KCl, 5% glycerol-d8, 1mM TCEP' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.2 . M 28110 1 pH 7.5 . pH 28110 1 pressure 1 . atm 28110 1 temperature 298 . K 28110 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 28110 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 28110 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 28110 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 28110 _Software.ID 2 _Software.Type . _Software.Name CCPN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 28110 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28110 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 28110 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 28110 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 28110 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 28110 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28110 1 2 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28110 1 3 '3D HN(COCA)CB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28110 1 4 '2D 1H-15N TROSY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28110 1 5 '2D 1H-13C SOFAST HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28110 1 6 '2D 1H-15N SOFAST HMQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28110 1 7 '3D Hm-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28110 1 8 '3D Cm-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28110 1 9 '3D Hn-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28110 1 10 '3D N-CmHm SOFAST NOESY HMQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28110 1 11 '2D 1H-13C SOFAST HMQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28110 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 28110 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 na indirect 0.251449530 . . . . . 28110 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 28110 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . 28110 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 28110 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 28110 1 2 '3D HNCO' . . . 28110 1 3 '3D HN(COCA)CB' . . . 28110 1 4 '2D 1H-15N TROSY' . . . 28110 1 5 '2D 1H-13C SOFAST HMQC' . . . 28110 1 6 '2D 1H-15N SOFAST HMQC' . . . 28110 1 7 '3D Hm-CmHm SOFAST NOESY HMQC' . . . 28110 1 8 '3D Cm-CmHm SOFAST NOESY HMQC' . . . 28110 1 9 '3D Hn-CmHm SOFAST NOESY HMQC' . . . 28110 1 10 '3D N-CmHm SOFAST NOESY HMQC' . . . 28110 1 11 '2D 1H-13C SOFAST HMQC' . . . 28110 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 VAL HG11 H 1 0.695 0.000 . 1 . . . . . 507 VAL HG11 . 28110 1 2 . 1 . 1 2 2 VAL HG12 H 1 0.695 0.000 . 1 . . . . . 507 VAL HG12 . 28110 1 3 . 1 . 1 2 2 VAL HG13 H 1 0.695 0.000 . 1 . . . . . 507 VAL HG13 . 28110 1 4 . 1 . 1 2 2 VAL HG21 H 1 0.793 0.000 . 1 . . . . . 507 VAL HG21 . 28110 1 5 . 1 . 1 2 2 VAL HG22 H 1 0.793 0.000 . 1 . . . . . 507 VAL HG22 . 28110 1 6 . 1 . 1 2 2 VAL HG23 H 1 0.793 0.000 . 1 . . . . . 507 VAL HG23 . 28110 1 7 . 1 . 1 2 2 VAL CG1 C 13 22.342 0.006 . 1 . . . . . 507 VAL CG1 . 28110 1 8 . 1 . 1 2 2 VAL CG2 C 13 18.464 0.006 . 1 . . . . . 507 VAL CG2 . 28110 1 9 . 1 . 1 3 3 LEU HD11 H 1 0.799 0.000 . 1 . . . . . 508 LEU HD11 . 28110 1 10 . 1 . 1 3 3 LEU HD12 H 1 0.799 0.000 . 1 . . . . . 508 LEU HD12 . 28110 1 11 . 1 . 1 3 3 LEU HD13 H 1 0.799 0.000 . 1 . . . . . 508 LEU HD13 . 28110 1 12 . 1 . 1 3 3 LEU HD21 H 1 1.126 0.002 . 1 . . . . . 508 LEU HD21 . 28110 1 13 . 1 . 1 3 3 LEU HD22 H 1 1.126 0.002 . 1 . . . . . 508 LEU HD22 . 28110 1 14 . 1 . 1 3 3 LEU HD23 H 1 1.126 0.002 . 1 . . . . . 508 LEU HD23 . 28110 1 15 . 1 . 1 3 3 LEU CD1 C 13 26.642 0.000 . 1 . . . . . 508 LEU CD1 . 28110 1 16 . 1 . 1 3 3 LEU CD2 C 13 24.195 0.000 . 1 . . . . . 508 LEU CD2 . 28110 1 17 . 1 . 1 8 8 LEU HD11 H 1 0.973 0.001 . 1 . . . . . 513 LEU HD11 . 28110 1 18 . 1 . 1 8 8 LEU HD12 H 1 0.973 0.001 . 1 . . . . . 513 LEU HD12 . 28110 1 19 . 1 . 1 8 8 LEU HD13 H 1 0.973 0.001 . 1 . . . . . 513 LEU HD13 . 28110 1 20 . 1 . 1 8 8 LEU HD21 H 1 1.014 0.001 . 1 . . . . . 513 LEU HD21 . 28110 1 21 . 1 . 1 8 8 LEU HD22 H 1 1.014 0.001 . 1 . . . . . 513 LEU HD22 . 28110 1 22 . 1 . 1 8 8 LEU HD23 H 1 1.014 0.001 . 1 . . . . . 513 LEU HD23 . 28110 1 23 . 1 . 1 8 8 LEU CD1 C 13 26.831 0.000 . 1 . . . . . 513 LEU CD1 . 28110 1 24 . 1 . 1 8 8 LEU CD2 C 13 25.553 0.000 . 1 . . . . . 513 LEU CD2 . 28110 1 25 . 1 . 1 9 9 LEU HD11 H 1 0.959 0.000 . 1 . . . . . 514 LEU HD11 . 28110 1 26 . 1 . 1 9 9 LEU HD12 H 1 0.959 0.000 . 1 . . . . . 514 LEU HD12 . 28110 1 27 . 1 . 1 9 9 LEU HD13 H 1 0.959 0.000 . 1 . . . . . 514 LEU HD13 . 28110 1 28 . 1 . 1 9 9 LEU HD21 H 1 0.935 0.002 . 1 . . . . . 514 LEU HD21 . 28110 1 29 . 1 . 1 9 9 LEU HD22 H 1 0.935 0.002 . 1 . . . . . 514 LEU HD22 . 28110 1 30 . 1 . 1 9 9 LEU HD23 H 1 0.935 0.002 . 1 . . . . . 514 LEU HD23 . 28110 1 31 . 1 . 1 9 9 LEU CD1 C 13 23.772 0.008 . 1 . . . . . 514 LEU CD1 . 28110 1 32 . 1 . 1 9 9 LEU CD2 C 13 26.198 0.000 . 1 . . . . . 514 LEU CD2 . 28110 1 33 . 1 . 1 15 15 VAL HG11 H 1 -0.588 0.000 . 1 . . . . . 520 VAL HG11 . 28110 1 34 . 1 . 1 15 15 VAL HG12 H 1 -0.588 0.000 . 1 . . . . . 520 VAL HG12 . 28110 1 35 . 1 . 1 15 15 VAL HG13 H 1 -0.588 0.000 . 1 . . . . . 520 VAL HG13 . 28110 1 36 . 1 . 1 15 15 VAL HG21 H 1 0.426 0.001 . 1 . . . . . 520 VAL HG21 . 28110 1 37 . 1 . 1 15 15 VAL HG22 H 1 0.426 0.001 . 1 . . . . . 520 VAL HG22 . 28110 1 38 . 1 . 1 15 15 VAL HG23 H 1 0.426 0.001 . 1 . . . . . 520 VAL HG23 . 28110 1 39 . 1 . 1 15 15 VAL CG1 C 13 19.506 0.000 . 1 . . . . . 520 VAL CG1 . 28110 1 40 . 1 . 1 15 15 VAL CG2 C 13 23.482 0.000 . 1 . . . . . 520 VAL CG2 . 28110 1 41 . 1 . 1 19 19 LEU HD11 H 1 0.322 0.001 . 1 . . . . . 524 LEU HD11 . 28110 1 42 . 1 . 1 19 19 LEU HD12 H 1 0.322 0.001 . 1 . . . . . 524 LEU HD12 . 28110 1 43 . 1 . 1 19 19 LEU HD13 H 1 0.322 0.001 . 1 . . . . . 524 LEU HD13 . 28110 1 44 . 1 . 1 19 19 LEU HD21 H 1 0.507 0.001 . 1 . . . . . 524 LEU HD21 . 28110 1 45 . 1 . 1 19 19 LEU HD22 H 1 0.507 0.001 . 1 . . . . . 524 LEU HD22 . 28110 1 46 . 1 . 1 19 19 LEU HD23 H 1 0.507 0.001 . 1 . . . . . 524 LEU HD23 . 28110 1 47 . 1 . 1 19 19 LEU CD1 C 13 25.755 0.000 . 1 . . . . . 524 LEU CD1 . 28110 1 48 . 1 . 1 19 19 LEU CD2 C 13 23.999 0.000 . 1 . . . . . 524 LEU CD2 . 28110 1 49 . 1 . 1 22 22 VAL HG11 H 1 1.167 0.002 . 1 . . . . . 527 VAL HG11 . 28110 1 50 . 1 . 1 22 22 VAL HG12 H 1 1.167 0.002 . 1 . . . . . 527 VAL HG12 . 28110 1 51 . 1 . 1 22 22 VAL HG13 H 1 1.167 0.002 . 1 . . . . . 527 VAL HG13 . 28110 1 52 . 1 . 1 22 22 VAL HG21 H 1 1.345 0.002 . 1 . . . . . 527 VAL HG21 . 28110 1 53 . 1 . 1 22 22 VAL HG22 H 1 1.345 0.002 . 1 . . . . . 527 VAL HG22 . 28110 1 54 . 1 . 1 22 22 VAL HG23 H 1 1.345 0.002 . 1 . . . . . 527 VAL HG23 . 28110 1 55 . 1 . 1 22 22 VAL CG1 C 13 21.438 0.000 . 1 . . . . . 527 VAL CG1 . 28110 1 56 . 1 . 1 22 22 VAL CG2 C 13 23.898 0.000 . 1 . . . . . 527 VAL CG2 . 28110 1 57 . 1 . 1 23 23 LYS H H 1 8.384 0.005 . 1 . . . . . 528 LYS H . 28110 1 58 . 1 . 1 23 23 LYS CA C 13 52.922 0.000 . 1 . . . . . 528 LYS CA . 28110 1 59 . 1 . 1 23 23 LYS CB C 13 34.800 0.000 . 1 . . . . . 528 LYS CB . 28110 1 60 . 1 . 1 23 23 LYS N N 15 123.788 0.000 . 1 . . . . . 528 LYS N . 28110 1 61 . 1 . 1 24 24 TYR H H 1 9.004 0.000 . 1 . . . . . 529 TYR H . 28110 1 62 . 1 . 1 24 24 TYR C C 13 172.358 0.000 . 1 . . . . . 529 TYR C . 28110 1 63 . 1 . 1 24 24 TYR CA C 13 53.235 0.000 . 1 . . . . . 529 TYR CA . 28110 1 64 . 1 . 1 24 24 TYR CB C 13 41.740 0.000 . 1 . . . . . 529 TYR CB . 28110 1 65 . 1 . 1 24 24 TYR N N 15 117.114 0.001 . 1 . . . . . 529 TYR N . 28110 1 66 . 1 . 1 25 25 VAL H H 1 8.227 0.004 . 1 . . . . . 530 VAL H . 28110 1 67 . 1 . 1 25 25 VAL HG11 H 1 0.763 0.002 . 1 . . . . . 530 VAL HG11 . 28110 1 68 . 1 . 1 25 25 VAL HG12 H 1 0.763 0.002 . 1 . . . . . 530 VAL HG12 . 28110 1 69 . 1 . 1 25 25 VAL HG13 H 1 0.763 0.002 . 1 . . . . . 530 VAL HG13 . 28110 1 70 . 1 . 1 25 25 VAL HG21 H 1 0.772 0.001 . 1 . . . . . 530 VAL HG21 . 28110 1 71 . 1 . 1 25 25 VAL HG22 H 1 0.772 0.001 . 1 . . . . . 530 VAL HG22 . 28110 1 72 . 1 . 1 25 25 VAL HG23 H 1 0.772 0.001 . 1 . . . . . 530 VAL HG23 . 28110 1 73 . 1 . 1 25 25 VAL C C 13 172.805 0.000 . 1 . . . . . 530 VAL C . 28110 1 74 . 1 . 1 25 25 VAL CA C 13 59.283 0.000 . 1 . . . . . 530 VAL CA . 28110 1 75 . 1 . 1 25 25 VAL CB C 13 34.995 0.000 . 1 . . . . . 530 VAL CB . 28110 1 76 . 1 . 1 25 25 VAL CG1 C 13 19.728 0.000 . 1 . . . . . 530 VAL CG1 . 28110 1 77 . 1 . 1 25 25 VAL CG2 C 13 21.373 0.000 . 1 . . . . . 530 VAL CG2 . 28110 1 78 . 1 . 1 25 25 VAL N N 15 117.220 0.000 . 1 . . . . . 530 VAL N . 28110 1 79 . 1 . 1 26 26 THR H H 1 7.450 0.001 . 1 . . . . . 531 THR H . 28110 1 80 . 1 . 1 26 26 THR C C 13 173.972 0.000 . 1 . . . . . 531 THR C . 28110 1 81 . 1 . 1 26 26 THR CA C 13 58.124 0.000 . 1 . . . . . 531 THR CA . 28110 1 82 . 1 . 1 26 26 THR CB C 13 69.891 0.000 . 1 . . . . . 531 THR CB . 28110 1 83 . 1 . 1 26 26 THR N N 15 121.158 0.001 . 1 . . . . . 531 THR N . 28110 1 84 . 1 . 1 27 27 GLU H H 1 8.472 0.000 . 1 . . . . . 532 GLU H . 28110 1 85 . 1 . 1 27 27 GLU CA C 13 56.839 0.000 . 1 . . . . . 532 GLU CA . 28110 1 86 . 1 . 1 27 27 GLU CB C 13 27.925 0.000 . 1 . . . . . 532 GLU CB . 28110 1 87 . 1 . 1 27 27 GLU N N 15 121.951 0.000 . 1 . . . . . 532 GLU N . 28110 1 88 . 1 . 1 33 33 ALA H H 1 8.438 0.000 . 1 . . . . . 538 ALA H . 28110 1 89 . 1 . 1 33 33 ALA C C 13 176.314 0.000 . 1 . . . . . 538 ALA C . 28110 1 90 . 1 . 1 33 33 ALA CA C 13 48.503 0.000 . 1 . . . . . 538 ALA CA . 28110 1 91 . 1 . 1 33 33 ALA CB C 13 21.114 0.000 . 1 . . . . . 538 ALA CB . 28110 1 92 . 1 . 1 33 33 ALA N N 15 124.701 0.001 . 1 . . . . . 538 ALA N . 28110 1 93 . 1 . 1 34 34 PHE H H 1 7.997 0.000 . 1 . . . . . 539 PHE H . 28110 1 94 . 1 . 1 34 34 PHE C C 13 177.303 0.000 . 1 . . . . . 539 PHE C . 28110 1 95 . 1 . 1 34 34 PHE CA C 13 55.919 0.000 . 1 . . . . . 539 PHE CA . 28110 1 96 . 1 . 1 34 34 PHE CB C 13 39.198 0.000 . 1 . . . . . 539 PHE CB . 28110 1 97 . 1 . 1 34 34 PHE N N 15 116.310 0.000 . 1 . . . . . 539 PHE N . 28110 1 98 . 1 . 1 35 35 LEU H H 1 8.794 0.004 . 1 . . . . . 540 LEU H . 28110 1 99 . 1 . 1 35 35 LEU HD11 H 1 0.985 0.002 . 1 . . . . . 540 LEU HD11 . 28110 1 100 . 1 . 1 35 35 LEU HD12 H 1 0.985 0.002 . 1 . . . . . 540 LEU HD12 . 28110 1 101 . 1 . 1 35 35 LEU HD13 H 1 0.985 0.002 . 1 . . . . . 540 LEU HD13 . 28110 1 102 . 1 . 1 35 35 LEU HD21 H 1 0.921 0.002 . 1 . . . . . 540 LEU HD21 . 28110 1 103 . 1 . 1 35 35 LEU HD22 H 1 0.921 0.002 . 1 . . . . . 540 LEU HD22 . 28110 1 104 . 1 . 1 35 35 LEU HD23 H 1 0.921 0.002 . 1 . . . . . 540 LEU HD23 . 28110 1 105 . 1 . 1 35 35 LEU CA C 13 53.235 0.000 . 1 . . . . . 540 LEU CA . 28110 1 106 . 1 . 1 35 35 LEU CD1 C 13 27.258 0.000 . 1 . . . . . 540 LEU CD1 . 28110 1 107 . 1 . 1 35 35 LEU CD2 C 13 23.216 0.000 . 1 . . . . . 540 LEU CD2 . 28110 1 108 . 1 . 1 35 35 LEU N N 15 118.213 0.000 . 1 . . . . . 540 LEU N . 28110 1 109 . 1 . 1 42 42 ALA H H 1 7.586 0.000 . 1 . . . . . 547 ALA H . 28110 1 110 . 1 . 1 42 42 ALA C C 13 179.745 0.000 . 1 . . . . . 547 ALA C . 28110 1 111 . 1 . 1 42 42 ALA CA C 13 53.423 0.000 . 1 . . . . . 547 ALA CA . 28110 1 112 . 1 . 1 42 42 ALA CB C 13 17.287 0.000 . 1 . . . . . 547 ALA CB . 28110 1 113 . 1 . 1 42 42 ALA N N 15 119.468 0.001 . 1 . . . . . 547 ALA N . 28110 1 114 . 1 . 1 43 43 ILE H H 1 8.266 0.000 . 1 . . . . . 548 ILE H . 28110 1 115 . 1 . 1 43 43 ILE HD11 H 1 0.229 0.003 . 1 . . . . . 548 ILE HD11 . 28110 1 116 . 1 . 1 43 43 ILE HD12 H 1 0.229 0.003 . 1 . . . . . 548 ILE HD12 . 28110 1 117 . 1 . 1 43 43 ILE HD13 H 1 0.229 0.003 . 1 . . . . . 548 ILE HD13 . 28110 1 118 . 1 . 1 43 43 ILE CA C 13 64.265 0.000 . 1 . . . . . 548 ILE CA . 28110 1 119 . 1 . 1 43 43 ILE CB C 13 36.227 0.000 . 1 . . . . . 548 ILE CB . 28110 1 120 . 1 . 1 43 43 ILE CD1 C 13 16.112 0.000 . 1 . . . . . 548 ILE CD1 . 28110 1 121 . 1 . 1 43 43 ILE N N 15 118.583 0.000 . 1 . . . . . 548 ILE N . 28110 1 122 . 1 . 1 44 44 VAL HG11 H 1 0.790 0.001 . 1 . . . . . 549 VAL HG11 . 28110 1 123 . 1 . 1 44 44 VAL HG12 H 1 0.790 0.001 . 1 . . . . . 549 VAL HG12 . 28110 1 124 . 1 . 1 44 44 VAL HG13 H 1 0.790 0.001 . 1 . . . . . 549 VAL HG13 . 28110 1 125 . 1 . 1 44 44 VAL HG21 H 1 0.170 0.002 . 1 . . . . . 549 VAL HG21 . 28110 1 126 . 1 . 1 44 44 VAL HG22 H 1 0.170 0.002 . 1 . . . . . 549 VAL HG22 . 28110 1 127 . 1 . 1 44 44 VAL HG23 H 1 0.170 0.002 . 1 . . . . . 549 VAL HG23 . 28110 1 128 . 1 . 1 44 44 VAL CG1 C 13 21.141 0.004 . 1 . . . . . 549 VAL CG1 . 28110 1 129 . 1 . 1 44 44 VAL CG2 C 13 23.509 0.000 . 1 . . . . . 549 VAL CG2 . 28110 1 130 . 1 . 1 46 46 LEU HD11 H 1 1.017 0.000 . 1 . . . . . 551 LEU HD11 . 28110 1 131 . 1 . 1 46 46 LEU HD12 H 1 1.017 0.000 . 1 . . . . . 551 LEU HD12 . 28110 1 132 . 1 . 1 46 46 LEU HD13 H 1 1.017 0.000 . 1 . . . . . 551 LEU HD13 . 28110 1 133 . 1 . 1 46 46 LEU HD21 H 1 0.935 0.001 . 1 . . . . . 551 LEU HD21 . 28110 1 134 . 1 . 1 46 46 LEU HD22 H 1 0.935 0.001 . 1 . . . . . 551 LEU HD22 . 28110 1 135 . 1 . 1 46 46 LEU HD23 H 1 0.935 0.001 . 1 . . . . . 551 LEU HD23 . 28110 1 136 . 1 . 1 46 46 LEU CD1 C 13 24.831 0.004 . 1 . . . . . 551 LEU CD1 . 28110 1 137 . 1 . 1 46 46 LEU CD2 C 13 23.494 0.000 . 1 . . . . . 551 LEU CD2 . 28110 1 138 . 1 . 1 47 47 LEU HD11 H 1 0.790 0.001 . 1 . . . . . 552 LEU HD11 . 28110 1 139 . 1 . 1 47 47 LEU HD12 H 1 0.790 0.001 . 1 . . . . . 552 LEU HD12 . 28110 1 140 . 1 . 1 47 47 LEU HD13 H 1 0.790 0.001 . 1 . . . . . 552 LEU HD13 . 28110 1 141 . 1 . 1 47 47 LEU HD21 H 1 0.767 0.001 . 1 . . . . . 552 LEU HD21 . 28110 1 142 . 1 . 1 47 47 LEU HD22 H 1 0.767 0.001 . 1 . . . . . 552 LEU HD22 . 28110 1 143 . 1 . 1 47 47 LEU HD23 H 1 0.767 0.001 . 1 . . . . . 552 LEU HD23 . 28110 1 144 . 1 . 1 47 47 LEU CD1 C 13 25.668 0.006 . 1 . . . . . 552 LEU CD1 . 28110 1 145 . 1 . 1 47 47 LEU CD2 C 13 23.513 0.000 . 1 . . . . . 552 LEU CD2 . 28110 1 146 . 1 . 1 50 50 THR H H 1 6.942 0.000 . 1 . . . . . 555 THR H . 28110 1 147 . 1 . 1 50 50 THR CA C 13 60.599 0.000 . 1 . . . . . 555 THR CA . 28110 1 148 . 1 . 1 50 50 THR CB C 13 68.788 0.000 . 1 . . . . . 555 THR CB . 28110 1 149 . 1 . 1 50 50 THR N N 15 106.196 0.001 . 1 . . . . . 555 THR N . 28110 1 150 . 1 . 1 51 51 ASN H H 1 7.781 0.000 . 1 . . . . . 556 ASN H . 28110 1 151 . 1 . 1 51 51 ASN CA C 13 50.846 0.000 . 1 . . . . . 556 ASN CA . 28110 1 152 . 1 . 1 51 51 ASN CB C 13 41.027 0.000 . 1 . . . . . 556 ASN CB . 28110 1 153 . 1 . 1 51 51 ASN N N 15 120.895 0.001 . 1 . . . . . 556 ASN N . 28110 1 154 . 1 . 1 52 52 ARG H H 1 8.275 0.000 . 1 . . . . . 557 ARG H . 28110 1 155 . 1 . 1 52 52 ARG C C 13 177.032 0.000 . 1 . . . . . 557 ARG C . 28110 1 156 . 1 . 1 52 52 ARG CA C 13 58.312 0.000 . 1 . . . . . 557 ARG CA . 28110 1 157 . 1 . 1 52 52 ARG N N 15 120.914 0.001 . 1 . . . . . 557 ARG N . 28110 1 158 . 1 . 1 53 53 LYS H H 1 7.893 0.000 . 1 . . . . . 558 LYS H . 28110 1 159 . 1 . 1 53 53 LYS C C 13 174.687 0.000 . 1 . . . . . 558 LYS C . 28110 1 160 . 1 . 1 53 53 LYS CA C 13 52.045 0.000 . 1 . . . . . 558 LYS CA . 28110 1 161 . 1 . 1 53 53 LYS CB C 13 32.011 0.000 . 1 . . . . . 558 LYS CB . 28110 1 162 . 1 . 1 53 53 LYS N N 15 117.160 0.000 . 1 . . . . . 558 LYS N . 28110 1 163 . 1 . 1 54 54 VAL H H 1 8.659 0.002 . 1 . . . . . 559 VAL H . 28110 1 164 . 1 . 1 54 54 VAL HG11 H 1 0.499 0.001 . 1 . . . . . 559 VAL HG11 . 28110 1 165 . 1 . 1 54 54 VAL HG12 H 1 0.499 0.001 . 1 . . . . . 559 VAL HG12 . 28110 1 166 . 1 . 1 54 54 VAL HG13 H 1 0.499 0.001 . 1 . . . . . 559 VAL HG13 . 28110 1 167 . 1 . 1 54 54 VAL HG21 H 1 -0.409 0.002 . 1 . . . . . 559 VAL HG21 . 28110 1 168 . 1 . 1 54 54 VAL HG22 H 1 -0.409 0.002 . 1 . . . . . 559 VAL HG22 . 28110 1 169 . 1 . 1 54 54 VAL HG23 H 1 -0.409 0.002 . 1 . . . . . 559 VAL HG23 . 28110 1 170 . 1 . 1 54 54 VAL C C 13 176.107 0.000 . 1 . . . . . 559 VAL C . 28110 1 171 . 1 . 1 54 54 VAL CA C 13 59.628 0.000 . 1 . . . . . 559 VAL CA . 28110 1 172 . 1 . 1 54 54 VAL CB C 13 32.141 0.000 . 1 . . . . . 559 VAL CB . 28110 1 173 . 1 . 1 54 54 VAL CG1 C 13 21.396 0.015 . 1 . . . . . 559 VAL CG1 . 28110 1 174 . 1 . 1 54 54 VAL CG2 C 13 20.721 0.000 . 1 . . . . . 559 VAL CG2 . 28110 1 175 . 1 . 1 54 54 VAL N N 15 123.901 0.008 . 1 . . . . . 559 VAL N . 28110 1 176 . 1 . 1 55 55 THR H H 1 8.405 0.000 . 1 . . . . . 560 THR H . 28110 1 177 . 1 . 1 55 55 THR C C 13 175.181 0.000 . 1 . . . . . 560 THR C . 28110 1 178 . 1 . 1 55 55 THR CA C 13 58.134 0.000 . 1 . . . . . 560 THR CA . 28110 1 179 . 1 . 1 55 55 THR CB C 13 70.007 0.000 . 1 . . . . . 560 THR CB . 28110 1 180 . 1 . 1 55 55 THR N N 15 116.520 0.000 . 1 . . . . . 560 THR N . 28110 1 181 . 1 . 1 56 56 VAL H H 1 8.336 0.002 . 1 . . . . . 561 VAL H . 28110 1 182 . 1 . 1 56 56 VAL HG11 H 1 0.986 0.003 . 1 . . . . . 561 VAL HG11 . 28110 1 183 . 1 . 1 56 56 VAL HG12 H 1 0.986 0.003 . 1 . . . . . 561 VAL HG12 . 28110 1 184 . 1 . 1 56 56 VAL HG13 H 1 0.986 0.003 . 1 . . . . . 561 VAL HG13 . 28110 1 185 . 1 . 1 56 56 VAL HG21 H 1 0.637 0.002 . 1 . . . . . 561 VAL HG21 . 28110 1 186 . 1 . 1 56 56 VAL HG22 H 1 0.637 0.002 . 1 . . . . . 561 VAL HG22 . 28110 1 187 . 1 . 1 56 56 VAL HG23 H 1 0.637 0.002 . 1 . . . . . 561 VAL HG23 . 28110 1 188 . 1 . 1 56 56 VAL C C 13 177.319 0.000 . 1 . . . . . 561 VAL C . 28110 1 189 . 1 . 1 56 56 VAL CA C 13 65.456 0.000 . 1 . . . . . 561 VAL CA . 28110 1 190 . 1 . 1 56 56 VAL CB C 13 29.741 0.000 . 1 . . . . . 561 VAL CB . 28110 1 191 . 1 . 1 56 56 VAL CG1 C 13 21.609 0.000 . 1 . . . . . 561 VAL CG1 . 28110 1 192 . 1 . 1 56 56 VAL CG2 C 13 24.633 0.000 . 1 . . . . . 561 VAL CG2 . 28110 1 193 . 1 . 1 56 56 VAL N N 15 121.276 0.000 . 1 . . . . . 561 VAL N . 28110 1 194 . 1 . 1 57 57 LYS H H 1 8.347 0.000 . 1 . . . . . 562 LYS H . 28110 1 195 . 1 . 1 57 57 LYS C C 13 178.260 0.000 . 1 . . . . . 562 LYS C . 28110 1 196 . 1 . 1 57 57 LYS CA C 13 58.907 0.000 . 1 . . . . . 562 LYS CA . 28110 1 197 . 1 . 1 57 57 LYS CB C 13 31.038 0.000 . 1 . . . . . 562 LYS CB . 28110 1 198 . 1 . 1 57 57 LYS N N 15 121.620 0.000 . 1 . . . . . 562 LYS N . 28110 1 199 . 1 . 1 58 58 GLN H H 1 7.819 0.000 . 1 . . . . . 563 GLN H . 28110 1 200 . 1 . 1 58 58 GLN C C 13 179.026 0.000 . 1 . . . . . 563 GLN C . 28110 1 201 . 1 . 1 58 58 GLN CA C 13 57.340 0.000 . 1 . . . . . 563 GLN CA . 28110 1 202 . 1 . 1 58 58 GLN CB C 13 27.600 0.000 . 1 . . . . . 563 GLN CB . 28110 1 203 . 1 . 1 58 58 GLN N N 15 117.510 0.000 . 1 . . . . . 563 GLN N . 28110 1 204 . 1 . 1 59 59 LEU H H 1 7.956 0.006 . 1 . . . . . 564 LEU H . 28110 1 205 . 1 . 1 59 59 LEU HD11 H 1 0.958 0.001 . 1 . . . . . 564 LEU HD11 . 28110 1 206 . 1 . 1 59 59 LEU HD12 H 1 0.958 0.001 . 1 . . . . . 564 LEU HD12 . 28110 1 207 . 1 . 1 59 59 LEU HD13 H 1 0.958 0.001 . 1 . . . . . 564 LEU HD13 . 28110 1 208 . 1 . 1 59 59 LEU HD21 H 1 1.239 0.001 . 1 . . . . . 564 LEU HD21 . 28110 1 209 . 1 . 1 59 59 LEU HD22 H 1 1.239 0.001 . 1 . . . . . 564 LEU HD22 . 28110 1 210 . 1 . 1 59 59 LEU HD23 H 1 1.239 0.001 . 1 . . . . . 564 LEU HD23 . 28110 1 211 . 1 . 1 59 59 LEU C C 13 178.867 0.000 . 1 . . . . . 564 LEU C . 28110 1 212 . 1 . 1 59 59 LEU CA C 13 56.933 0.000 . 1 . . . . . 564 LEU CA . 28110 1 213 . 1 . 1 59 59 LEU CB C 13 40.832 0.000 . 1 . . . . . 564 LEU CB . 28110 1 214 . 1 . 1 59 59 LEU CD1 C 13 24.069 0.000 . 1 . . . . . 564 LEU CD1 . 28110 1 215 . 1 . 1 59 59 LEU CD2 C 13 26.623 0.000 . 1 . . . . . 564 LEU CD2 . 28110 1 216 . 1 . 1 59 59 LEU N N 15 119.931 0.000 . 1 . . . . . 564 LEU N . 28110 1 217 . 1 . 1 60 60 LYS H H 1 8.809 0.000 . 1 . . . . . 565 LYS H . 28110 1 218 . 1 . 1 60 60 LYS C C 13 177.957 0.000 . 1 . . . . . 565 LYS C . 28110 1 219 . 1 . 1 60 60 LYS CA C 13 60.129 0.000 . 1 . . . . . 565 LYS CA . 28110 1 220 . 1 . 1 60 60 LYS CB C 13 31.557 0.000 . 1 . . . . . 565 LYS CB . 28110 1 221 . 1 . 1 60 60 LYS N N 15 117.708 0.000 . 1 . . . . . 565 LYS N . 28110 1 222 . 1 . 1 61 61 GLU H H 1 8.734 0.000 . 1 . . . . . 566 GLU H . 28110 1 223 . 1 . 1 61 61 GLU CA C 13 57.278 0.000 . 1 . . . . . 566 GLU CA . 28110 1 224 . 1 . 1 61 61 GLU CB C 13 29.222 0.000 . 1 . . . . . 566 GLU CB . 28110 1 225 . 1 . 1 61 61 GLU N N 15 117.211 0.001 . 1 . . . . . 566 GLU N . 28110 1 226 . 1 . 1 66 66 LYS H H 1 9.236 0.000 . 1 . . . . . 571 LYS H . 28110 1 227 . 1 . 1 66 66 LYS C C 13 176.011 0.000 . 1 . . . . . 571 LYS C . 28110 1 228 . 1 . 1 66 66 LYS CA C 13 58.656 0.000 . 1 . . . . . 571 LYS CA . 28110 1 229 . 1 . 1 66 66 LYS N N 15 112.908 0.000 . 1 . . . . . 571 LYS N . 28110 1 230 . 1 . 1 67 67 ILE H H 1 8.615 0.000 . 1 . . . . . 572 ILE H . 28110 1 231 . 1 . 1 67 67 ILE HD11 H 1 0.720 0.002 . 1 . . . . . 572 ILE HD11 . 28110 1 232 . 1 . 1 67 67 ILE HD12 H 1 0.720 0.002 . 1 . . . . . 572 ILE HD12 . 28110 1 233 . 1 . 1 67 67 ILE HD13 H 1 0.720 0.002 . 1 . . . . . 572 ILE HD13 . 28110 1 234 . 1 . 1 67 67 ILE C C 13 176.857 0.000 . 1 . . . . . 572 ILE C . 28110 1 235 . 1 . 1 67 67 ILE CA C 13 63.826 0.000 . 1 . . . . . 572 ILE CA . 28110 1 236 . 1 . 1 67 67 ILE CB C 13 36.940 0.000 . 1 . . . . . 572 ILE CB . 28110 1 237 . 1 . 1 67 67 ILE CD1 C 13 8.866 0.020 . 1 . . . . . 572 ILE CD1 . 28110 1 238 . 1 . 1 67 67 ILE N N 15 119.052 0.000 . 1 . . . . . 572 ILE N . 28110 1 239 . 1 . 1 68 68 GLU H H 1 8.038 0.000 . 1 . . . . . 573 GLU H . 28110 1 240 . 1 . 1 68 68 GLU C C 13 178.930 0.000 . 1 . . . . . 573 GLU C . 28110 1 241 . 1 . 1 68 68 GLU CA C 13 57.748 0.000 . 1 . . . . . 573 GLU CA . 28110 1 242 . 1 . 1 68 68 GLU CB C 13 30.195 0.000 . 1 . . . . . 573 GLU CB . 28110 1 243 . 1 . 1 68 68 GLU N N 15 117.178 0.000 . 1 . . . . . 573 GLU N . 28110 1 244 . 1 . 1 70 70 PHE H H 1 8.264 0.000 . 1 . . . . . 575 PHE H . 28110 1 245 . 1 . 1 70 70 PHE C C 13 175.979 0.000 . 1 . . . . . 575 PHE C . 28110 1 246 . 1 . 1 70 70 PHE CA C 13 53.831 0.000 . 1 . . . . . 575 PHE CA . 28110 1 247 . 1 . 1 70 70 PHE CB C 13 37.524 0.000 . 1 . . . . . 575 PHE CB . 28110 1 248 . 1 . 1 70 70 PHE N N 15 118.820 0.000 . 1 . . . . . 575 PHE N . 28110 1 249 . 1 . 1 71 71 ASP H H 1 9.002 0.000 . 1 . . . . . 576 ASP H . 28110 1 250 . 1 . 1 71 71 ASP C C 13 175.979 0.000 . 1 . . . . . 576 ASP C . 28110 1 251 . 1 . 1 71 71 ASP CA C 13 54.802 0.000 . 1 . . . . . 576 ASP CA . 28110 1 252 . 1 . 1 71 71 ASP CB C 13 40.378 0.000 . 1 . . . . . 576 ASP CB . 28110 1 253 . 1 . 1 71 71 ASP N N 15 123.102 0.001 . 1 . . . . . 576 ASP N . 28110 1 254 . 1 . 1 72 72 SER H H 1 7.814 0.000 . 1 . . . . . 577 SER H . 28110 1 255 . 1 . 1 72 72 SER C C 13 172.661 0.000 . 1 . . . . . 577 SER C . 28110 1 256 . 1 . 1 72 72 SER CA C 13 55.554 0.000 . 1 . . . . . 577 SER CA . 28110 1 257 . 1 . 1 72 72 SER CB C 13 62.885 0.000 . 1 . . . . . 577 SER CB . 28110 1 258 . 1 . 1 72 72 SER N N 15 111.193 0.001 . 1 . . . . . 577 SER N . 28110 1 259 . 1 . 1 73 73 VAL H H 1 8.315 0.000 . 1 . . . . . 578 VAL H . 28110 1 260 . 1 . 1 73 73 VAL HG11 H 1 0.641 0.002 . 1 . . . . . 578 VAL HG11 . 28110 1 261 . 1 . 1 73 73 VAL HG12 H 1 0.641 0.002 . 1 . . . . . 578 VAL HG12 . 28110 1 262 . 1 . 1 73 73 VAL HG13 H 1 0.641 0.002 . 1 . . . . . 578 VAL HG13 . 28110 1 263 . 1 . 1 73 73 VAL HG21 H 1 0.497 0.002 . 1 . . . . . 578 VAL HG21 . 28110 1 264 . 1 . 1 73 73 VAL HG22 H 1 0.497 0.002 . 1 . . . . . 578 VAL HG22 . 28110 1 265 . 1 . 1 73 73 VAL HG23 H 1 0.497 0.002 . 1 . . . . . 578 VAL HG23 . 28110 1 266 . 1 . 1 73 73 VAL C C 13 172.517 0.000 . 1 . . . . . 578 VAL C . 28110 1 267 . 1 . 1 73 73 VAL CA C 13 59.032 0.000 . 1 . . . . . 578 VAL CA . 28110 1 268 . 1 . 1 73 73 VAL CB C 13 32.789 0.000 . 1 . . . . . 578 VAL CB . 28110 1 269 . 1 . 1 73 73 VAL CG1 C 13 20.154 0.000 . 1 . . . . . 578 VAL CG1 . 28110 1 270 . 1 . 1 73 73 VAL CG2 C 13 21.644 0.000 . 1 . . . . . 578 VAL CG2 . 28110 1 271 . 1 . 1 73 73 VAL N N 15 121.774 0.001 . 1 . . . . . 578 VAL N . 28110 1 272 . 1 . 1 74 74 GLU H H 1 8.350 0.006 . 1 . . . . . 579 GLU H . 28110 1 273 . 1 . 1 74 74 GLU C C 13 175.867 0.000 . 1 . . . . . 579 GLU C . 28110 1 274 . 1 . 1 74 74 GLU CA C 13 52.953 0.000 . 1 . . . . . 579 GLU CA . 28110 1 275 . 1 . 1 74 74 GLU CB C 13 29.611 0.000 . 1 . . . . . 579 GLU CB . 28110 1 276 . 1 . 1 74 74 GLU N N 15 124.077 0.000 . 1 . . . . . 579 GLU N . 28110 1 277 . 1 . 1 75 75 ILE H H 1 8.734 0.002 . 1 . . . . . 580 ILE H . 28110 1 278 . 1 . 1 75 75 ILE HD11 H 1 0.802 0.003 . 1 . . . . . 580 ILE HD11 . 28110 1 279 . 1 . 1 75 75 ILE HD12 H 1 0.802 0.003 . 1 . . . . . 580 ILE HD12 . 28110 1 280 . 1 . 1 75 75 ILE HD13 H 1 0.802 0.003 . 1 . . . . . 580 ILE HD13 . 28110 1 281 . 1 . 1 75 75 ILE C C 13 175.086 0.000 . 1 . . . . . 580 ILE C . 28110 1 282 . 1 . 1 75 75 ILE CA C 13 56.526 0.000 . 1 . . . . . 580 ILE CA . 28110 1 283 . 1 . 1 75 75 ILE CB C 13 37.719 0.000 . 1 . . . . . 580 ILE CB . 28110 1 284 . 1 . 1 75 75 ILE CD1 C 13 11.919 0.000 . 1 . . . . . 580 ILE CD1 . 28110 1 285 . 1 . 1 75 75 ILE N N 15 125.373 0.007 . 1 . . . . . 580 ILE N . 28110 1 286 . 1 . 1 76 76 SER H H 1 9.352 0.005 . 1 . . . . . 581 SER H . 28110 1 287 . 1 . 1 76 76 SER CA C 13 55.429 0.000 . 1 . . . . . 581 SER CA . 28110 1 288 . 1 . 1 76 76 SER CB C 13 64.453 0.000 . 1 . . . . . 581 SER CB . 28110 1 289 . 1 . 1 76 76 SER N N 15 121.965 0.003 . 1 . . . . . 581 SER N . 28110 1 290 . 1 . 1 77 77 GLY H H 1 8.818 0.000 . 1 . . . . . 582 GLY H . 28110 1 291 . 1 . 1 77 77 GLY CA C 13 43.835 0.000 . 1 . . . . . 582 GLY CA . 28110 1 292 . 1 . 1 77 77 GLY N N 15 109.235 0.001 . 1 . . . . . 582 GLY N . 28110 1 293 . 1 . 1 78 78 VAL H H 1 7.048 0.004 . 1 . . . . . 583 VAL H . 28110 1 294 . 1 . 1 78 78 VAL HG11 H 1 0.301 0.003 . 1 . . . . . 583 VAL HG11 . 28110 1 295 . 1 . 1 78 78 VAL HG12 H 1 0.301 0.003 . 1 . . . . . 583 VAL HG12 . 28110 1 296 . 1 . 1 78 78 VAL HG13 H 1 0.301 0.003 . 1 . . . . . 583 VAL HG13 . 28110 1 297 . 1 . 1 78 78 VAL HG21 H 1 0.044 0.003 . 1 . . . . . 583 VAL HG21 . 28110 1 298 . 1 . 1 78 78 VAL HG22 H 1 0.044 0.003 . 1 . . . . . 583 VAL HG22 . 28110 1 299 . 1 . 1 78 78 VAL HG23 H 1 0.044 0.003 . 1 . . . . . 583 VAL HG23 . 28110 1 300 . 1 . 1 78 78 VAL C C 13 179.792 0.000 . 1 . . . . . 583 VAL C . 28110 1 301 . 1 . 1 78 78 VAL CA C 13 58.606 0.000 . 1 . . . . . 583 VAL CA . 28110 1 302 . 1 . 1 78 78 VAL CB C 13 32.163 0.000 . 1 . . . . . 583 VAL CB . 28110 1 303 . 1 . 1 78 78 VAL CG1 C 13 19.612 0.008 . 1 . . . . . 583 VAL CG1 . 28110 1 304 . 1 . 1 78 78 VAL CG2 C 13 19.614 0.000 . 1 . . . . . 583 VAL CG2 . 28110 1 305 . 1 . 1 78 78 VAL N N 15 115.574 0.001 . 1 . . . . . 583 VAL N . 28110 1 306 . 1 . 1 79 79 GLU H H 1 7.910 0.000 . 1 . . . . . 584 GLU H . 28110 1 307 . 1 . 1 79 79 GLU CA C 13 57.489 0.000 . 1 . . . . . 584 GLU CA . 28110 1 308 . 1 . 1 79 79 GLU CB C 13 28.249 0.000 . 1 . . . . . 584 GLU CB . 28110 1 309 . 1 . 1 79 79 GLU N N 15 119.503 0.001 . 1 . . . . . 584 GLU N . 28110 1 310 . 1 . 1 84 84 ALA H H 1 9.906 0.000 . 1 . . . . . 589 ALA H . 28110 1 311 . 1 . 1 84 84 ALA C C 13 175.229 0.000 . 1 . . . . . 589 ALA C . 28110 1 312 . 1 . 1 84 84 ALA CA C 13 50.666 0.000 . 1 . . . . . 589 ALA CA . 28110 1 313 . 1 . 1 84 84 ALA CB C 13 19.103 0.000 . 1 . . . . . 589 ALA CB . 28110 1 314 . 1 . 1 84 84 ALA N N 15 125.924 0.000 . 1 . . . . . 589 ALA N . 28110 1 315 . 1 . 1 85 85 SER H H 1 7.888 0.000 . 1 . . . . . 590 SER H . 28110 1 316 . 1 . 1 85 85 SER CA C 13 55.742 0.000 . 1 . . . . . 590 SER CA . 28110 1 317 . 1 . 1 85 85 SER CB C 13 65.091 0.000 . 1 . . . . . 590 SER CB . 28110 1 318 . 1 . 1 85 85 SER N N 15 110.371 0.000 . 1 . . . . . 590 SER N . 28110 1 319 . 1 . 1 86 86 LEU H H 1 9.729 0.000 . 1 . . . . . 591 LEU H . 28110 1 320 . 1 . 1 86 86 LEU HD11 H 1 0.383 0.001 . 1 . . . . . 591 LEU HD11 . 28110 1 321 . 1 . 1 86 86 LEU HD12 H 1 0.383 0.001 . 1 . . . . . 591 LEU HD12 . 28110 1 322 . 1 . 1 86 86 LEU HD13 H 1 0.383 0.001 . 1 . . . . . 591 LEU HD13 . 28110 1 323 . 1 . 1 86 86 LEU HD21 H 1 0.337 0.001 . 1 . . . . . 591 LEU HD21 . 28110 1 324 . 1 . 1 86 86 LEU HD22 H 1 0.337 0.001 . 1 . . . . . 591 LEU HD22 . 28110 1 325 . 1 . 1 86 86 LEU HD23 H 1 0.337 0.001 . 1 . . . . . 591 LEU HD23 . 28110 1 326 . 1 . 1 86 86 LEU C C 13 177.654 0.000 . 1 . . . . . 591 LEU C . 28110 1 327 . 1 . 1 86 86 LEU CA C 13 50.447 0.000 . 1 . . . . . 591 LEU CA . 28110 1 328 . 1 . 1 86 86 LEU CD1 C 13 26.977 0.000 . 1 . . . . . 591 LEU CD1 . 28110 1 329 . 1 . 1 86 86 LEU CD2 C 13 22.733 0.000 . 1 . . . . . 591 LEU CD2 . 28110 1 330 . 1 . 1 86 86 LEU N N 15 126.889 0.002 . 1 . . . . . 591 LEU N . 28110 1 331 . 1 . 1 87 87 GLY H H 1 7.473 0.000 . 1 . . . . . 592 GLY H . 28110 1 332 . 1 . 1 87 87 GLY C C 13 176.027 0.000 . 1 . . . . . 592 GLY C . 28110 1 333 . 1 . 1 87 87 GLY CA C 13 47.251 0.000 . 1 . . . . . 592 GLY CA . 28110 1 334 . 1 . 1 87 87 GLY N N 15 109.025 0.000 . 1 . . . . . 592 GLY N . 28110 1 335 . 1 . 1 88 88 THR H H 1 10.601 0.001 . 1 . . . . . 593 THR H . 28110 1 336 . 1 . 1 88 88 THR CA C 13 64.390 0.000 . 1 . . . . . 593 THR CA . 28110 1 337 . 1 . 1 88 88 THR CB C 13 66.323 0.000 . 1 . . . . . 593 THR CB . 28110 1 338 . 1 . 1 88 88 THR N N 15 123.846 0.001 . 1 . . . . . 593 THR N . 28110 1 339 . 1 . 1 92 92 LEU HD11 H 1 0.763 0.001 . 1 . . . . . 597 LEU HD11 . 28110 1 340 . 1 . 1 92 92 LEU HD12 H 1 0.763 0.001 . 1 . . . . . 597 LEU HD12 . 28110 1 341 . 1 . 1 92 92 LEU HD13 H 1 0.763 0.001 . 1 . . . . . 597 LEU HD13 . 28110 1 342 . 1 . 1 92 92 LEU HD21 H 1 0.644 0.001 . 1 . . . . . 597 LEU HD21 . 28110 1 343 . 1 . 1 92 92 LEU HD22 H 1 0.644 0.001 . 1 . . . . . 597 LEU HD22 . 28110 1 344 . 1 . 1 92 92 LEU HD23 H 1 0.644 0.001 . 1 . . . . . 597 LEU HD23 . 28110 1 345 . 1 . 1 92 92 LEU CD1 C 13 26.434 0.009 . 1 . . . . . 597 LEU CD1 . 28110 1 346 . 1 . 1 92 92 LEU CD2 C 13 21.124 0.000 . 1 . . . . . 597 LEU CD2 . 28110 1 347 . 1 . 1 93 93 LEU HD11 H 1 0.697 0.001 . 1 . . . . . 598 LEU HD11 . 28110 1 348 . 1 . 1 93 93 LEU HD12 H 1 0.697 0.001 . 1 . . . . . 598 LEU HD12 . 28110 1 349 . 1 . 1 93 93 LEU HD13 H 1 0.697 0.001 . 1 . . . . . 598 LEU HD13 . 28110 1 350 . 1 . 1 93 93 LEU HD21 H 1 0.878 0.000 . 1 . . . . . 598 LEU HD21 . 28110 1 351 . 1 . 1 93 93 LEU HD22 H 1 0.878 0.000 . 1 . . . . . 598 LEU HD22 . 28110 1 352 . 1 . 1 93 93 LEU HD23 H 1 0.878 0.000 . 1 . . . . . 598 LEU HD23 . 28110 1 353 . 1 . 1 93 93 LEU CD1 C 13 22.618 0.000 . 1 . . . . . 598 LEU CD1 . 28110 1 354 . 1 . 1 93 93 LEU CD2 C 13 25.267 0.000 . 1 . . . . . 598 LEU CD2 . 28110 1 355 . 1 . 1 95 95 ILE HD11 H 1 0.660 0.003 . 1 . . . . . 600 ILE HD11 . 28110 1 356 . 1 . 1 95 95 ILE HD12 H 1 0.660 0.003 . 1 . . . . . 600 ILE HD12 . 28110 1 357 . 1 . 1 95 95 ILE HD13 H 1 0.660 0.003 . 1 . . . . . 600 ILE HD13 . 28110 1 358 . 1 . 1 95 95 ILE CD1 C 13 13.489 0.000 . 1 . . . . . 600 ILE CD1 . 28110 1 359 . 1 . 1 96 96 ILE HD11 H 1 0.596 0.001 . 1 . . . . . 601 ILE HD11 . 28110 1 360 . 1 . 1 96 96 ILE HD12 H 1 0.596 0.001 . 1 . . . . . 601 ILE HD12 . 28110 1 361 . 1 . 1 96 96 ILE HD13 H 1 0.596 0.001 . 1 . . . . . 601 ILE HD13 . 28110 1 362 . 1 . 1 96 96 ILE CD1 C 13 13.725 0.000 . 1 . . . . . 601 ILE CD1 . 28110 1 363 . 1 . 1 98 98 ASP H H 1 6.589 0.001 . 1 . . . . . 603 ASP H . 28110 1 364 . 1 . 1 98 98 ASP C C 13 174.974 0.000 . 1 . . . . . 603 ASP C . 28110 1 365 . 1 . 1 98 98 ASP CA C 13 51.431 0.000 . 1 . . . . . 603 ASP CA . 28110 1 366 . 1 . 1 98 98 ASP CB C 13 40.109 0.000 . 1 . . . . . 603 ASP CB . 28110 1 367 . 1 . 1 98 98 ASP N N 15 115.999 0.000 . 1 . . . . . 603 ASP N . 28110 1 368 . 1 . 1 99 99 LYS H H 1 8.730 0.000 . 1 . . . . . 604 LYS H . 28110 1 369 . 1 . 1 99 99 LYS C C 13 177.287 0.000 . 1 . . . . . 604 LYS C . 28110 1 370 . 1 . 1 99 99 LYS CA C 13 58.312 0.000 . 1 . . . . . 604 LYS CA . 28110 1 371 . 1 . 1 99 99 LYS CB C 13 31.749 0.000 . 1 . . . . . 604 LYS CB . 28110 1 372 . 1 . 1 99 99 LYS N N 15 127.657 0.000 . 1 . . . . . 604 LYS N . 28110 1 373 . 1 . 1 100 100 ASP H H 1 7.976 0.000 . 1 . . . . . 605 ASP H . 28110 1 374 . 1 . 1 100 100 ASP C C 13 178.595 0.000 . 1 . . . . . 605 ASP C . 28110 1 375 . 1 . 1 100 100 ASP CA C 13 56.057 0.000 . 1 . . . . . 605 ASP CA . 28110 1 376 . 1 . 1 100 100 ASP CB C 13 38.742 0.000 . 1 . . . . . 605 ASP CB . 28110 1 377 . 1 . 1 100 100 ASP N N 15 116.726 0.000 . 1 . . . . . 605 ASP N . 28110 1 378 . 1 . 1 101 101 PHE H H 1 7.649 0.000 . 1 . . . . . 606 PHE H . 28110 1 379 . 1 . 1 101 101 PHE C C 13 178.165 0.000 . 1 . . . . . 606 PHE C . 28110 1 380 . 1 . 1 101 101 PHE CA C 13 59.440 0.000 . 1 . . . . . 606 PHE CA . 28110 1 381 . 1 . 1 101 101 PHE CB C 13 37.920 0.000 . 1 . . . . . 606 PHE CB . 28110 1 382 . 1 . 1 101 101 PHE N N 15 120.201 0.001 . 1 . . . . . 606 PHE N . 28110 1 383 . 1 . 1 102 102 LEU H H 1 7.191 0.005 . 1 . . . . . 607 LEU H . 28110 1 384 . 1 . 1 102 102 LEU HD11 H 1 0.436 0.003 . 1 . . . . . 607 LEU HD11 . 28110 1 385 . 1 . 1 102 102 LEU HD12 H 1 0.436 0.003 . 1 . . . . . 607 LEU HD12 . 28110 1 386 . 1 . 1 102 102 LEU HD13 H 1 0.436 0.003 . 1 . . . . . 607 LEU HD13 . 28110 1 387 . 1 . 1 102 102 LEU HD21 H 1 0.690 0.001 . 1 . . . . . 607 LEU HD21 . 28110 1 388 . 1 . 1 102 102 LEU HD22 H 1 0.690 0.001 . 1 . . . . . 607 LEU HD22 . 28110 1 389 . 1 . 1 102 102 LEU HD23 H 1 0.690 0.001 . 1 . . . . . 607 LEU HD23 . 28110 1 390 . 1 . 1 102 102 LEU CA C 13 55.490 0.000 . 1 . . . . . 607 LEU CA . 28110 1 391 . 1 . 1 102 102 LEU CB C 13 40.305 0.000 . 1 . . . . . 607 LEU CB . 28110 1 392 . 1 . 1 102 102 LEU CD1 C 13 25.177 0.000 . 1 . . . . . 607 LEU CD1 . 28110 1 393 . 1 . 1 102 102 LEU CD2 C 13 24.557 0.000 . 1 . . . . . 607 LEU CD2 . 28110 1 394 . 1 . 1 102 102 LEU N N 15 116.446 0.008 . 1 . . . . . 607 LEU N . 28110 1 395 . 1 . 1 107 107 ASN H H 1 8.523 0.000 . 1 . . . . . 612 ASN H . 28110 1 396 . 1 . 1 107 107 ASN C C 13 179.696 0.000 . 1 . . . . . 612 ASN C . 28110 1 397 . 1 . 1 107 107 ASN CA C 13 56.776 0.000 . 1 . . . . . 612 ASN CA . 28110 1 398 . 1 . 1 107 107 ASN CB C 13 40.790 0.000 . 1 . . . . . 612 ASN CB . 28110 1 399 . 1 . 1 107 107 ASN N N 15 121.801 0.001 . 1 . . . . . 612 ASN N . 28110 1 400 . 1 . 1 108 108 GLU H H 1 7.267 0.000 . 1 . . . . . 613 GLU H . 28110 1 401 . 1 . 1 108 108 GLU C C 13 176.857 0.000 . 1 . . . . . 613 GLU C . 28110 1 402 . 1 . 1 108 108 GLU CA C 13 56.845 0.000 . 1 . . . . . 613 GLU CA . 28110 1 403 . 1 . 1 108 108 GLU CB C 13 30.454 0.000 . 1 . . . . . 613 GLU CB . 28110 1 404 . 1 . 1 108 108 GLU N N 15 117.115 0.000 . 1 . . . . . 613 GLU N . 28110 1 405 . 1 . 1 109 109 ASP H H 1 6.951 0.000 . 1 . . . . . 614 ASP H . 28110 1 406 . 1 . 1 109 109 ASP C C 13 175.724 0.000 . 1 . . . . . 614 ASP C . 28110 1 407 . 1 . 1 109 109 ASP CB C 13 39.132 0.000 . 1 . . . . . 614 ASP CB . 28110 1 408 . 1 . 1 109 109 ASP N N 15 115.799 0.000 . 1 . . . . . 614 ASP N . 28110 1 409 . 1 . 1 110 110 ILE H H 1 8.906 0.000 . 1 . . . . . 615 ILE H . 28110 1 410 . 1 . 1 110 110 ILE HD11 H 1 1.004 0.002 . 1 . . . . . 615 ILE HD11 . 28110 1 411 . 1 . 1 110 110 ILE HD12 H 1 1.004 0.002 . 1 . . . . . 615 ILE HD12 . 28110 1 412 . 1 . 1 110 110 ILE HD13 H 1 1.004 0.002 . 1 . . . . . 615 ILE HD13 . 28110 1 413 . 1 . 1 110 110 ILE CA C 13 61.721 0.000 . 1 . . . . . 615 ILE CA . 28110 1 414 . 1 . 1 110 110 ILE CB C 13 37.374 0.000 . 1 . . . . . 615 ILE CB . 28110 1 415 . 1 . 1 110 110 ILE CD1 C 13 14.133 0.000 . 1 . . . . . 615 ILE CD1 . 28110 1 416 . 1 . 1 110 110 ILE N N 15 116.260 0.000 . 1 . . . . . 615 ILE N . 28110 1 417 . 1 . 1 111 111 LEU H H 1 7.722 0.000 . 1 . . . . . 616 LEU H . 28110 1 418 . 1 . 1 111 111 LEU HD11 H 1 1.019 0.001 . 1 . . . . . 616 LEU HD11 . 28110 1 419 . 1 . 1 111 111 LEU HD12 H 1 1.019 0.001 . 1 . . . . . 616 LEU HD12 . 28110 1 420 . 1 . 1 111 111 LEU HD13 H 1 1.019 0.001 . 1 . . . . . 616 LEU HD13 . 28110 1 421 . 1 . 1 111 111 LEU HD21 H 1 0.929 0.002 . 1 . . . . . 616 LEU HD21 . 28110 1 422 . 1 . 1 111 111 LEU HD22 H 1 0.929 0.002 . 1 . . . . . 616 LEU HD22 . 28110 1 423 . 1 . 1 111 111 LEU HD23 H 1 0.929 0.002 . 1 . . . . . 616 LEU HD23 . 28110 1 424 . 1 . 1 111 111 LEU C C 13 180.015 0.000 . 1 . . . . . 616 LEU C . 28110 1 425 . 1 . 1 111 111 LEU CA C 13 56.870 0.000 . 1 . . . . . 616 LEU CA . 28110 1 426 . 1 . 1 111 111 LEU CD1 C 13 26.414 0.000 . 1 . . . . . 616 LEU CD1 . 28110 1 427 . 1 . 1 111 111 LEU CD2 C 13 22.512 0.000 . 1 . . . . . 616 LEU CD2 . 28110 1 428 . 1 . 1 111 111 LEU N N 15 112.334 0.001 . 1 . . . . . 616 LEU N . 28110 1 429 . 1 . 1 112 112 GLU H H 1 8.441 0.008 . 1 . . . . . 617 GLU H . 28110 1 430 . 1 . 1 112 112 GLU C C 13 179.680 0.000 . 1 . . . . . 617 GLU C . 28110 1 431 . 1 . 1 112 112 GLU CA C 13 57.123 0.000 . 1 . . . . . 617 GLU CA . 28110 1 432 . 1 . 1 112 112 GLU CB C 13 27.734 0.000 . 1 . . . . . 617 GLU CB . 28110 1 433 . 1 . 1 112 112 GLU N N 15 116.426 0.001 . 1 . . . . . 617 GLU N . 28110 1 434 . 1 . 1 113 113 ASP H H 1 8.150 0.000 . 1 . . . . . 618 ASP H . 28110 1 435 . 1 . 1 113 113 ASP C C 13 179.072 0.000 . 1 . . . . . 618 ASP C . 28110 1 436 . 1 . 1 113 113 ASP CA C 13 56.369 0.000 . 1 . . . . . 618 ASP CA . 28110 1 437 . 1 . 1 113 113 ASP CB C 13 40.248 0.000 . 1 . . . . . 618 ASP CB . 28110 1 438 . 1 . 1 113 113 ASP N N 15 121.787 0.001 . 1 . . . . . 618 ASP N . 28110 1 439 . 1 . 1 114 114 ILE H H 1 8.545 0.000 . 1 . . . . . 619 ILE H . 28110 1 440 . 1 . 1 114 114 ILE HD11 H 1 0.648 0.003 . 1 . . . . . 619 ILE HD11 . 28110 1 441 . 1 . 1 114 114 ILE HD12 H 1 0.648 0.003 . 1 . . . . . 619 ILE HD12 . 28110 1 442 . 1 . 1 114 114 ILE HD13 H 1 0.648 0.003 . 1 . . . . . 619 ILE HD13 . 28110 1 443 . 1 . 1 114 114 ILE C C 13 177.112 0.000 . 1 . . . . . 619 ILE C . 28110 1 444 . 1 . 1 114 114 ILE CA C 13 65.299 0.000 . 1 . . . . . 619 ILE CA . 28110 1 445 . 1 . 1 114 114 ILE CB C 13 36.616 0.000 . 1 . . . . . 619 ILE CB . 28110 1 446 . 1 . 1 114 114 ILE CD1 C 13 13.294 0.000 . 1 . . . . . 619 ILE CD1 . 28110 1 447 . 1 . 1 114 114 ILE N N 15 121.407 0.000 . 1 . . . . . 619 ILE N . 28110 1 448 . 1 . 1 115 115 VAL H H 1 7.775 0.009 . 1 . . . . . 620 VAL H . 28110 1 449 . 1 . 1 115 115 VAL HG11 H 1 0.468 0.002 . 1 . . . . . 620 VAL HG11 . 28110 1 450 . 1 . 1 115 115 VAL HG12 H 1 0.468 0.002 . 1 . . . . . 620 VAL HG12 . 28110 1 451 . 1 . 1 115 115 VAL HG13 H 1 0.468 0.002 . 1 . . . . . 620 VAL HG13 . 28110 1 452 . 1 . 1 115 115 VAL HG21 H 1 1.001 0.002 . 1 . . . . . 620 VAL HG21 . 28110 1 453 . 1 . 1 115 115 VAL HG22 H 1 1.001 0.002 . 1 . . . . . 620 VAL HG22 . 28110 1 454 . 1 . 1 115 115 VAL HG23 H 1 1.001 0.002 . 1 . . . . . 620 VAL HG23 . 28110 1 455 . 1 . 1 115 115 VAL C C 13 178.444 0.000 . 1 . . . . . 620 VAL C . 28110 1 456 . 1 . 1 115 115 VAL CA C 13 66.104 0.000 . 1 . . . . . 620 VAL CA . 28110 1 457 . 1 . 1 115 115 VAL CB C 13 29.935 0.000 . 1 . . . . . 620 VAL CB . 28110 1 458 . 1 . 1 115 115 VAL CG1 C 13 20.203 0.000 . 1 . . . . . 620 VAL CG1 . 28110 1 459 . 1 . 1 115 115 VAL CG2 C 13 23.270 0.000 . 1 . . . . . 620 VAL CG2 . 28110 1 460 . 1 . 1 115 115 VAL N N 15 117.610 0.005 . 1 . . . . . 620 VAL N . 28110 1 461 . 1 . 1 116 116 LEU H H 1 8.492 0.003 . 1 . . . . . 621 LEU H . 28110 1 462 . 1 . 1 116 116 LEU HD11 H 1 1.295 0.001 . 1 . . . . . 621 LEU HD11 . 28110 1 463 . 1 . 1 116 116 LEU HD12 H 1 1.295 0.001 . 1 . . . . . 621 LEU HD12 . 28110 1 464 . 1 . 1 116 116 LEU HD13 H 1 1.295 0.001 . 1 . . . . . 621 LEU HD13 . 28110 1 465 . 1 . 1 116 116 LEU HD21 H 1 1.186 0.003 . 1 . . . . . 621 LEU HD21 . 28110 1 466 . 1 . 1 116 116 LEU HD22 H 1 1.186 0.003 . 1 . . . . . 621 LEU HD22 . 28110 1 467 . 1 . 1 116 116 LEU HD23 H 1 1.186 0.003 . 1 . . . . . 621 LEU HD23 . 28110 1 468 . 1 . 1 116 116 LEU CA C 13 57.716 0.000 . 1 . . . . . 621 LEU CA . 28110 1 469 . 1 . 1 116 116 LEU CB C 13 39.665 0.000 . 1 . . . . . 621 LEU CB . 28110 1 470 . 1 . 1 116 116 LEU CD1 C 13 24.089 0.000 . 1 . . . . . 621 LEU CD1 . 28110 1 471 . 1 . 1 116 116 LEU CD2 C 13 25.673 0.000 . 1 . . . . . 621 LEU CD2 . 28110 1 472 . 1 . 1 116 116 LEU N N 15 122.536 0.009 . 1 . . . . . 621 LEU N . 28110 1 473 . 1 . 1 117 117 THR H H 1 8.711 0.000 . 1 . . . . . 622 THR H . 28110 1 474 . 1 . 1 117 117 THR N N 15 119.297 0.001 . 1 . . . . . 622 THR N . 28110 1 475 . 1 . 1 118 118 LEU H H 1 7.922 0.000 . 1 . . . . . 623 LEU H . 28110 1 476 . 1 . 1 118 118 LEU HD11 H 1 0.836 0.001 . 1 . . . . . 623 LEU HD11 . 28110 1 477 . 1 . 1 118 118 LEU HD12 H 1 0.836 0.001 . 1 . . . . . 623 LEU HD12 . 28110 1 478 . 1 . 1 118 118 LEU HD13 H 1 0.836 0.001 . 1 . . . . . 623 LEU HD13 . 28110 1 479 . 1 . 1 118 118 LEU HD21 H 1 0.928 0.001 . 1 . . . . . 623 LEU HD21 . 28110 1 480 . 1 . 1 118 118 LEU HD22 H 1 0.928 0.001 . 1 . . . . . 623 LEU HD22 . 28110 1 481 . 1 . 1 118 118 LEU HD23 H 1 0.928 0.001 . 1 . . . . . 623 LEU HD23 . 28110 1 482 . 1 . 1 118 118 LEU CD1 C 13 24.872 0.007 . 1 . . . . . 623 LEU CD1 . 28110 1 483 . 1 . 1 118 118 LEU CD2 C 13 21.421 0.009 . 1 . . . . . 623 LEU CD2 . 28110 1 484 . 1 . 1 118 118 LEU N N 15 115.702 0.000 . 1 . . . . . 623 LEU N . 28110 1 485 . 1 . 1 119 119 THR H H 1 7.719 0.000 . 1 . . . . . 624 THR H . 28110 1 486 . 1 . 1 119 119 THR N N 15 115.835 0.001 . 1 . . . . . 624 THR N . 28110 1 487 . 1 . 1 120 120 LEU H H 1 8.639 0.000 . 1 . . . . . 625 LEU H . 28110 1 488 . 1 . 1 120 120 LEU HD11 H 1 0.909 0.001 . 1 . . . . . 625 LEU HD11 . 28110 1 489 . 1 . 1 120 120 LEU HD12 H 1 0.909 0.001 . 1 . . . . . 625 LEU HD12 . 28110 1 490 . 1 . 1 120 120 LEU HD13 H 1 0.909 0.001 . 1 . . . . . 625 LEU HD13 . 28110 1 491 . 1 . 1 120 120 LEU HD21 H 1 0.880 0.002 . 1 . . . . . 625 LEU HD21 . 28110 1 492 . 1 . 1 120 120 LEU HD22 H 1 0.880 0.002 . 1 . . . . . 625 LEU HD22 . 28110 1 493 . 1 . 1 120 120 LEU HD23 H 1 0.880 0.002 . 1 . . . . . 625 LEU HD23 . 28110 1 494 . 1 . 1 120 120 LEU C C 13 176.107 0.000 . 1 . . . . . 625 LEU C . 28110 1 495 . 1 . 1 120 120 LEU CA C 13 55.836 0.000 . 1 . . . . . 625 LEU CA . 28110 1 496 . 1 . 1 120 120 LEU CB C 13 42.843 0.000 . 1 . . . . . 625 LEU CB . 28110 1 497 . 1 . 1 120 120 LEU CD1 C 13 24.763 0.000 . 1 . . . . . 625 LEU CD1 . 28110 1 498 . 1 . 1 120 120 LEU CD2 C 13 24.233 0.000 . 1 . . . . . 625 LEU CD2 . 28110 1 499 . 1 . 1 120 120 LEU N N 15 122.021 0.000 . 1 . . . . . 625 LEU N . 28110 1 500 . 1 . 1 125 125 GLU H H 1 8.573 0.000 . 1 . . . . . 630 GLU H . 28110 1 501 . 1 . 1 125 125 GLU C C 13 179.441 0.000 . 1 . . . . . 630 GLU C . 28110 1 502 . 1 . 1 125 125 GLU CA C 13 58.155 0.000 . 1 . . . . . 630 GLU CA . 28110 1 503 . 1 . 1 125 125 GLU CB C 13 27.190 0.000 . 1 . . . . . 630 GLU CB . 28110 1 504 . 1 . 1 125 125 GLU N N 15 119.127 0.000 . 1 . . . . . 630 GLU N . 28110 1 505 . 1 . 1 126 126 MET H H 1 7.737 0.001 . 1 . . . . . 631 MET H . 28110 1 506 . 1 . 1 126 126 MET C C 13 178.595 0.000 . 1 . . . . . 631 MET C . 28110 1 507 . 1 . 1 126 126 MET CA C 13 55.930 0.000 . 1 . . . . . 631 MET CA . 28110 1 508 . 1 . 1 126 126 MET CB C 13 30.195 0.000 . 1 . . . . . 631 MET CB . 28110 1 509 . 1 . 1 126 126 MET N N 15 119.355 0.001 . 1 . . . . . 631 MET N . 28110 1 510 . 1 . 1 127 127 ILE H H 1 7.671 0.001 . 1 . . . . . 632 ILE H . 28110 1 511 . 1 . 1 127 127 ILE HD11 H 1 0.841 0.002 . 1 . . . . . 632 ILE HD11 . 28110 1 512 . 1 . 1 127 127 ILE HD12 H 1 0.841 0.002 . 1 . . . . . 632 ILE HD12 . 28110 1 513 . 1 . 1 127 127 ILE HD13 H 1 0.841 0.002 . 1 . . . . . 632 ILE HD13 . 28110 1 514 . 1 . 1 127 127 ILE C C 13 177.415 0.000 . 1 . . . . . 632 ILE C . 28110 1 515 . 1 . 1 127 127 ILE CA C 13 64.328 0.000 . 1 . . . . . 632 ILE CA . 28110 1 516 . 1 . 1 127 127 ILE CB C 13 36.746 0.000 . 1 . . . . . 632 ILE CB . 28110 1 517 . 1 . 1 127 127 ILE CD1 C 13 12.658 0.000 . 1 . . . . . 632 ILE CD1 . 28110 1 518 . 1 . 1 127 127 ILE N N 15 119.400 0.001 . 1 . . . . . 632 ILE N . 28110 1 519 . 1 . 1 128 128 GLU H H 1 8.252 0.000 . 1 . . . . . 633 GLU H . 28110 1 520 . 1 . 1 128 128 GLU C C 13 178.659 0.000 . 1 . . . . . 633 GLU C . 28110 1 521 . 1 . 1 128 128 GLU CA C 13 58.500 0.000 . 1 . . . . . 633 GLU CA . 28110 1 522 . 1 . 1 128 128 GLU CB C 13 27.925 0.000 . 1 . . . . . 633 GLU CB . 28110 1 523 . 1 . 1 128 128 GLU N N 15 118.273 0.001 . 1 . . . . . 633 GLU N . 28110 1 524 . 1 . 1 129 129 GLU H H 1 7.762 0.000 . 1 . . . . . 634 GLU H . 28110 1 525 . 1 . 1 129 129 GLU C C 13 178.803 0.000 . 1 . . . . . 634 GLU C . 28110 1 526 . 1 . 1 129 129 GLU CA C 13 57.622 0.000 . 1 . . . . . 634 GLU CA . 28110 1 527 . 1 . 1 129 129 GLU CB C 13 27.860 0.000 . 1 . . . . . 634 GLU CB . 28110 1 528 . 1 . 1 129 129 GLU N N 15 117.456 0.000 . 1 . . . . . 634 GLU N . 28110 1 529 . 1 . 1 130 130 ARG H H 1 7.755 0.000 . 1 . . . . . 635 ARG H . 28110 1 530 . 1 . 1 130 130 ARG C C 13 179.377 0.000 . 1 . . . . . 635 ARG C . 28110 1 531 . 1 . 1 130 130 ARG CA C 13 56.244 0.000 . 1 . . . . . 635 ARG CA . 28110 1 532 . 1 . 1 130 130 ARG CB C 13 29.092 0.000 . 1 . . . . . 635 ARG CB . 28110 1 533 . 1 . 1 130 130 ARG N N 15 117.134 0.000 . 1 . . . . . 635 ARG N . 28110 1 534 . 1 . 1 131 131 LEU H H 1 8.408 0.003 . 1 . . . . . 636 LEU H . 28110 1 535 . 1 . 1 131 131 LEU HD11 H 1 0.822 0.002 . 1 . . . . . 636 LEU HD11 . 28110 1 536 . 1 . 1 131 131 LEU HD12 H 1 0.822 0.002 . 1 . . . . . 636 LEU HD12 . 28110 1 537 . 1 . 1 131 131 LEU HD13 H 1 0.822 0.002 . 1 . . . . . 636 LEU HD13 . 28110 1 538 . 1 . 1 131 131 LEU HD21 H 1 1.025 0.003 . 1 . . . . . 636 LEU HD21 . 28110 1 539 . 1 . 1 131 131 LEU HD22 H 1 1.025 0.003 . 1 . . . . . 636 LEU HD22 . 28110 1 540 . 1 . 1 131 131 LEU HD23 H 1 1.025 0.003 . 1 . . . . . 636 LEU HD23 . 28110 1 541 . 1 . 1 131 131 LEU C C 13 178.484 0.000 . 1 . . . . . 636 LEU C . 28110 1 542 . 1 . 1 131 131 LEU CA C 13 54.865 0.000 . 1 . . . . . 636 LEU CA . 28110 1 543 . 1 . 1 131 131 LEU CB C 13 39.924 0.000 . 1 . . . . . 636 LEU CB . 28110 1 544 . 1 . 1 131 131 LEU CD1 C 13 26.435 0.000 . 1 . . . . . 636 LEU CD1 . 28110 1 545 . 1 . 1 131 131 LEU CD2 C 13 23.029 0.000 . 1 . . . . . 636 LEU CD2 . 28110 1 546 . 1 . 1 131 131 LEU N N 15 117.422 0.007 . 1 . . . . . 636 LEU N . 28110 1 547 . 1 . 1 132 132 LYS H H 1 7.647 0.002 . 1 . . . . . 637 LYS H . 28110 1 548 . 1 . 1 132 132 LYS C C 13 178.260 0.000 . 1 . . . . . 637 LYS C . 28110 1 549 . 1 . 1 132 132 LYS CA C 13 58.193 0.000 . 1 . . . . . 637 LYS CA . 28110 1 550 . 1 . 1 132 132 LYS CB C 13 30.325 0.000 . 1 . . . . . 637 LYS CB . 28110 1 551 . 1 . 1 132 132 LYS N N 15 119.382 0.027 . 1 . . . . . 637 LYS N . 28110 1 552 . 1 . 1 133 133 THR H H 1 7.267 0.000 . 1 . . . . . 638 THR H . 28110 1 553 . 1 . 1 133 133 THR C C 13 173.841 0.000 . 1 . . . . . 638 THR C . 28110 1 554 . 1 . 1 133 133 THR CA C 13 62.885 0.000 . 1 . . . . . 638 THR CA . 28110 1 555 . 1 . 1 133 133 THR CB C 13 67.987 0.000 . 1 . . . . . 638 THR CB . 28110 1 556 . 1 . 1 133 133 THR N N 15 114.100 0.000 . 1 . . . . . 638 THR N . 28110 1 557 . 1 . 1 134 134 TYR H H 1 7.703 0.000 . 1 . . . . . 639 TYR H . 28110 1 558 . 1 . 1 134 134 TYR C C 13 176.410 0.000 . 1 . . . . . 639 TYR C . 28110 1 559 . 1 . 1 134 134 TYR CA C 13 54.677 0.000 . 1 . . . . . 639 TYR CA . 28110 1 560 . 1 . 1 134 134 TYR CB C 13 37.330 0.000 . 1 . . . . . 639 TYR CB . 28110 1 561 . 1 . 1 134 134 TYR N N 15 117.101 0.001 . 1 . . . . . 639 TYR N . 28110 1 562 . 1 . 1 135 135 ALA H H 1 7.668 0.000 . 1 . . . . . 640 ALA H . 28110 1 563 . 1 . 1 135 135 ALA CA C 13 53.643 0.000 . 1 . . . . . 640 ALA CA . 28110 1 564 . 1 . 1 135 135 ALA CB C 13 17.352 0.000 . 1 . . . . . 640 ALA CB . 28110 1 565 . 1 . 1 135 135 ALA N N 15 121.756 0.002 . 1 . . . . . 640 ALA N . 28110 1 566 . 1 . 1 136 136 HIS H H 1 8.384 0.000 . 1 . . . . . 641 HIS H . 28110 1 567 . 1 . 1 136 136 HIS CA C 13 55.241 0.000 . 1 . . . . . 641 HIS CA . 28110 1 568 . 1 . 1 136 136 HIS CB C 13 28.833 0.000 . 1 . . . . . 641 HIS CB . 28110 1 569 . 1 . 1 136 136 HIS N N 15 121.684 0.001 . 1 . . . . . 641 HIS N . 28110 1 570 . 1 . 1 137 137 LEU H H 1 8.359 0.000 . 1 . . . . . 642 LEU H . 28110 1 571 . 1 . 1 137 137 LEU HD11 H 1 0.821 0.001 . 1 . . . . . 642 LEU HD11 . 28110 1 572 . 1 . 1 137 137 LEU HD12 H 1 0.821 0.001 . 1 . . . . . 642 LEU HD12 . 28110 1 573 . 1 . 1 137 137 LEU HD13 H 1 0.821 0.001 . 1 . . . . . 642 LEU HD13 . 28110 1 574 . 1 . 1 137 137 LEU HD21 H 1 0.657 0.000 . 1 . . . . . 642 LEU HD21 . 28110 1 575 . 1 . 1 137 137 LEU HD22 H 1 0.657 0.000 . 1 . . . . . 642 LEU HD22 . 28110 1 576 . 1 . 1 137 137 LEU HD23 H 1 0.657 0.000 . 1 . . . . . 642 LEU HD23 . 28110 1 577 . 1 . 1 137 137 LEU C C 13 176.266 0.000 . 1 . . . . . 642 LEU C . 28110 1 578 . 1 . 1 137 137 LEU CA C 13 54.641 0.000 . 1 . . . . . 642 LEU CA . 28110 1 579 . 1 . 1 137 137 LEU CB C 13 40.435 0.000 . 1 . . . . . 642 LEU CB . 28110 1 580 . 1 . 1 137 137 LEU CD1 C 13 25.748 0.000 . 1 . . . . . 642 LEU CD1 . 28110 1 581 . 1 . 1 137 137 LEU CD2 C 13 22.610 0.000 . 1 . . . . . 642 LEU CD2 . 28110 1 582 . 1 . 1 137 137 LEU N N 15 116.316 0.000 . 1 . . . . . 642 LEU N . 28110 1 583 . 1 . 1 138 138 PHE H H 1 7.816 0.000 . 1 . . . . . 643 PHE H . 28110 1 584 . 1 . 1 138 138 PHE C C 13 174.288 0.000 . 1 . . . . . 643 PHE C . 28110 1 585 . 1 . 1 138 138 PHE CA C 13 52.577 0.000 . 1 . . . . . 643 PHE CA . 28110 1 586 . 1 . 1 138 138 PHE CB C 13 41.546 0.000 . 1 . . . . . 643 PHE CB . 28110 1 587 . 1 . 1 138 138 PHE N N 15 120.113 0.001 . 1 . . . . . 643 PHE N . 28110 1 588 . 1 . 1 139 139 ASP H H 1 8.501 0.003 . 1 . . . . . 644 ASP H . 28110 1 589 . 1 . 1 139 139 ASP C C 13 176.410 0.000 . 1 . . . . . 644 ASP C . 28110 1 590 . 1 . 1 139 139 ASP CA C 13 52.045 0.000 . 1 . . . . . 644 ASP CA . 28110 1 591 . 1 . 1 139 139 ASP CB C 13 40.832 0.000 . 1 . . . . . 644 ASP CB . 28110 1 592 . 1 . 1 139 139 ASP N N 15 119.888 0.011 . 1 . . . . . 644 ASP N . 28110 1 593 . 1 . 1 140 140 ASP H H 1 8.629 0.000 . 1 . . . . . 645 ASP H . 28110 1 594 . 1 . 1 140 140 ASP C C 13 178.020 0.000 . 1 . . . . . 645 ASP C . 28110 1 595 . 1 . 1 140 140 ASP CA C 13 56.369 0.000 . 1 . . . . . 645 ASP CA . 28110 1 596 . 1 . 1 140 140 ASP N N 15 119.868 0.001 . 1 . . . . . 645 ASP N . 28110 1 597 . 1 . 1 141 141 LYS H H 1 8.361 0.002 . 1 . . . . . 646 LYS H . 28110 1 598 . 1 . 1 141 141 LYS C C 13 180.063 0.000 . 1 . . . . . 646 LYS C . 28110 1 599 . 1 . 1 141 141 LYS CA C 13 58.148 0.000 . 1 . . . . . 646 LYS CA . 28110 1 600 . 1 . 1 141 141 LYS CB C 13 30.130 0.000 . 1 . . . . . 646 LYS CB . 28110 1 601 . 1 . 1 141 141 LYS N N 15 118.677 0.022 . 1 . . . . . 646 LYS N . 28110 1 602 . 1 . 1 142 142 VAL H H 1 7.821 0.003 . 1 . . . . . 647 VAL H . 28110 1 603 . 1 . 1 142 142 VAL HG11 H 1 0.489 0.003 . 1 . . . . . 647 VAL HG11 . 28110 1 604 . 1 . 1 142 142 VAL HG12 H 1 0.489 0.003 . 1 . . . . . 647 VAL HG12 . 28110 1 605 . 1 . 1 142 142 VAL HG13 H 1 0.489 0.003 . 1 . . . . . 647 VAL HG13 . 28110 1 606 . 1 . 1 142 142 VAL HG21 H 1 1.167 0.003 . 1 . . . . . 647 VAL HG21 . 28110 1 607 . 1 . 1 142 142 VAL HG22 H 1 1.167 0.003 . 1 . . . . . 647 VAL HG22 . 28110 1 608 . 1 . 1 142 142 VAL HG23 H 1 1.167 0.003 . 1 . . . . . 647 VAL HG23 . 28110 1 609 . 1 . 1 142 142 VAL C C 13 178.324 0.000 . 1 . . . . . 647 VAL C . 28110 1 610 . 1 . 1 142 142 VAL CA C 13 64.641 0.000 . 1 . . . . . 647 VAL CA . 28110 1 611 . 1 . 1 142 142 VAL CB C 13 30.714 0.000 . 1 . . . . . 647 VAL CB . 28110 1 612 . 1 . 1 142 142 VAL CG1 C 13 21.855 0.000 . 1 . . . . . 647 VAL CG1 . 28110 1 613 . 1 . 1 142 142 VAL CG2 C 13 22.565 0.000 . 1 . . . . . 647 VAL CG2 . 28110 1 614 . 1 . 1 142 142 VAL N N 15 121.282 0.028 . 1 . . . . . 647 VAL N . 28110 1 615 . 1 . 1 143 143 MET H H 1 8.176 0.004 . 1 . . . . . 648 MET H . 28110 1 616 . 1 . 1 143 143 MET C C 13 178.420 0.000 . 1 . . . . . 648 MET C . 28110 1 617 . 1 . 1 143 143 MET CA C 13 55.961 0.000 . 1 . . . . . 648 MET CA . 28110 1 618 . 1 . 1 143 143 MET CB C 13 29.481 0.000 . 1 . . . . . 648 MET CB . 28110 1 619 . 1 . 1 143 143 MET N N 15 117.853 0.027 . 1 . . . . . 648 MET N . 28110 1 620 . 1 . 1 144 144 LYS H H 1 8.064 0.000 . 1 . . . . . 649 LYS H . 28110 1 621 . 1 . 1 144 144 LYS C C 13 178.675 0.000 . 1 . . . . . 649 LYS C . 28110 1 622 . 1 . 1 144 144 LYS CA C 13 58.249 0.000 . 1 . . . . . 649 LYS CA . 28110 1 623 . 1 . 1 144 144 LYS CB C 13 30.908 0.000 . 1 . . . . . 649 LYS CB . 28110 1 624 . 1 . 1 144 144 LYS N N 15 117.244 0.003 . 1 . . . . . 649 LYS N . 28110 1 625 . 1 . 1 145 145 GLN H H 1 7.146 0.000 . 1 . . . . . 650 GLN H . 28110 1 626 . 1 . 1 145 145 GLN CA C 13 56.607 0.000 . 1 . . . . . 650 GLN CA . 28110 1 627 . 1 . 1 145 145 GLN CB C 13 28.776 0.000 . 1 . . . . . 650 GLN CB . 28110 1 628 . 1 . 1 145 145 GLN N N 15 115.190 0.001 . 1 . . . . . 650 GLN N . 28110 1 629 . 1 . 1 146 146 LEU HD11 H 1 0.448 0.001 . 1 . . . . . 651 LEU HD11 . 28110 1 630 . 1 . 1 146 146 LEU HD12 H 1 0.448 0.001 . 1 . . . . . 651 LEU HD12 . 28110 1 631 . 1 . 1 146 146 LEU HD13 H 1 0.448 0.001 . 1 . . . . . 651 LEU HD13 . 28110 1 632 . 1 . 1 146 146 LEU HD21 H 1 0.547 0.000 . 1 . . . . . 651 LEU HD21 . 28110 1 633 . 1 . 1 146 146 LEU HD22 H 1 0.547 0.000 . 1 . . . . . 651 LEU HD22 . 28110 1 634 . 1 . 1 146 146 LEU HD23 H 1 0.547 0.000 . 1 . . . . . 651 LEU HD23 . 28110 1 635 . 1 . 1 146 146 LEU CD1 C 13 24.405 0.000 . 1 . . . . . 651 LEU CD1 . 28110 1 636 . 1 . 1 146 146 LEU CD2 C 13 23.376 0.000 . 1 . . . . . 651 LEU CD2 . 28110 1 637 . 1 . 1 150 150 ARG H H 1 7.505 0.000 . 1 . . . . . 655 ARG H . 28110 1 638 . 1 . 1 150 150 ARG C C 13 175.405 0.000 . 1 . . . . . 655 ARG C . 28110 1 639 . 1 . 1 150 150 ARG CA C 13 53.110 0.000 . 1 . . . . . 655 ARG CA . 28110 1 640 . 1 . 1 150 150 ARG CB C 13 30.843 0.000 . 1 . . . . . 655 ARG CB . 28110 1 641 . 1 . 1 150 150 ARG N N 15 119.997 0.001 . 1 . . . . . 655 ARG N . 28110 1 642 . 1 . 1 151 151 TYR H H 1 7.684 0.000 . 1 . . . . . 656 TYR H . 28110 1 643 . 1 . 1 151 151 TYR C C 13 173.841 0.000 . 1 . . . . . 656 TYR C . 28110 1 644 . 1 . 1 151 151 TYR CA C 13 55.585 0.000 . 1 . . . . . 656 TYR CA . 28110 1 645 . 1 . 1 151 151 TYR CB C 13 40.638 0.000 . 1 . . . . . 656 TYR CB . 28110 1 646 . 1 . 1 151 151 TYR N N 15 121.914 0.000 . 1 . . . . . 656 TYR N . 28110 1 647 . 1 . 1 152 152 THR H H 1 7.855 0.000 . 1 . . . . . 657 THR H . 28110 1 648 . 1 . 1 152 152 THR C C 13 174.464 0.000 . 1 . . . . . 657 THR C . 28110 1 649 . 1 . 1 152 152 THR CA C 13 58.594 0.000 . 1 . . . . . 657 THR CA . 28110 1 650 . 1 . 1 152 152 THR CB C 13 70.474 0.000 . 1 . . . . . 657 THR CB . 28110 1 651 . 1 . 1 152 152 THR N N 15 109.868 0.000 . 1 . . . . . 657 THR N . 28110 1 652 . 1 . 1 153 153 GLY H H 1 8.290 0.000 . 1 . . . . . 658 GLY H . 28110 1 653 . 1 . 1 153 153 GLY C C 13 173.411 0.000 . 1 . . . . . 658 GLY C . 28110 1 654 . 1 . 1 153 153 GLY CA C 13 42.895 0.000 . 1 . . . . . 658 GLY CA . 28110 1 655 . 1 . 1 153 153 GLY N N 15 108.915 0.001 . 1 . . . . . 658 GLY N . 28110 1 656 . 1 . 1 154 154 TRP H H 1 8.691 0.000 . 1 . . . . . 659 TRP H . 28110 1 657 . 1 . 1 154 154 TRP C C 13 176.394 0.000 . 1 . . . . . 659 TRP C . 28110 1 658 . 1 . 1 154 154 TRP CA C 13 55.303 0.000 . 1 . . . . . 659 TRP CA . 28110 1 659 . 1 . 1 154 154 TRP CB C 13 31.038 0.000 . 1 . . . . . 659 TRP CB . 28110 1 660 . 1 . 1 154 154 TRP N N 15 122.255 0.000 . 1 . . . . . 659 TRP N . 28110 1 661 . 1 . 1 155 155 GLY H H 1 8.911 0.000 . 1 . . . . . 660 GLY H . 28110 1 662 . 1 . 1 155 155 GLY CA C 13 42.018 0.000 . 1 . . . . . 660 GLY CA . 28110 1 663 . 1 . 1 155 155 GLY N N 15 109.375 0.000 . 1 . . . . . 660 GLY N . 28110 1 664 . 1 . 1 157 157 LEU HD11 H 1 0.164 0.004 . 1 . . . . . 662 LEU HD11 . 28110 1 665 . 1 . 1 157 157 LEU HD12 H 1 0.164 0.004 . 1 . . . . . 662 LEU HD12 . 28110 1 666 . 1 . 1 157 157 LEU HD13 H 1 0.164 0.004 . 1 . . . . . 662 LEU HD13 . 28110 1 667 . 1 . 1 157 157 LEU HD21 H 1 0.726 0.002 . 1 . . . . . 662 LEU HD21 . 28110 1 668 . 1 . 1 157 157 LEU HD22 H 1 0.726 0.002 . 1 . . . . . 662 LEU HD22 . 28110 1 669 . 1 . 1 157 157 LEU HD23 H 1 0.726 0.002 . 1 . . . . . 662 LEU HD23 . 28110 1 670 . 1 . 1 157 157 LEU CD1 C 13 26.238 0.000 . 1 . . . . . 662 LEU CD1 . 28110 1 671 . 1 . 1 157 157 LEU CD2 C 13 23.217 0.000 . 1 . . . . . 662 LEU CD2 . 28110 1 672 . 1 . 1 161 161 LEU HD11 H 1 1.012 0.001 . 1 . . . . . 666 LEU HD11 . 28110 1 673 . 1 . 1 161 161 LEU HD12 H 1 1.012 0.001 . 1 . . . . . 666 LEU HD12 . 28110 1 674 . 1 . 1 161 161 LEU HD13 H 1 1.012 0.001 . 1 . . . . . 666 LEU HD13 . 28110 1 675 . 1 . 1 161 161 LEU HD21 H 1 1.044 0.001 . 1 . . . . . 666 LEU HD21 . 28110 1 676 . 1 . 1 161 161 LEU HD22 H 1 1.044 0.001 . 1 . . . . . 666 LEU HD22 . 28110 1 677 . 1 . 1 161 161 LEU HD23 H 1 1.044 0.001 . 1 . . . . . 666 LEU HD23 . 28110 1 678 . 1 . 1 161 161 LEU CD1 C 13 24.495 0.000 . 1 . . . . . 666 LEU CD1 . 28110 1 679 . 1 . 1 161 161 LEU CD2 C 13 25.616 0.000 . 1 . . . . . 666 LEU CD2 . 28110 1 680 . 1 . 1 162 162 ILE HD11 H 1 0.328 0.001 . 1 . . . . . 667 ILE HD11 . 28110 1 681 . 1 . 1 162 162 ILE HD12 H 1 0.328 0.001 . 1 . . . . . 667 ILE HD12 . 28110 1 682 . 1 . 1 162 162 ILE HD13 H 1 0.328 0.001 . 1 . . . . . 667 ILE HD13 . 28110 1 683 . 1 . 1 162 162 ILE CD1 C 13 13.935 0.000 . 1 . . . . . 667 ILE CD1 . 28110 1 684 . 1 . 1 165 165 ILE HD11 H 1 0.990 0.000 . 1 . . . . . 670 ILE HD11 . 28110 1 685 . 1 . 1 165 165 ILE HD12 H 1 0.990 0.000 . 1 . . . . . 670 ILE HD12 . 28110 1 686 . 1 . 1 165 165 ILE HD13 H 1 0.990 0.000 . 1 . . . . . 670 ILE HD13 . 28110 1 687 . 1 . 1 165 165 ILE CD1 C 13 14.291 0.000 . 1 . . . . . 670 ILE CD1 . 28110 1 688 . 1 . 1 174 174 ILE HD11 H 1 0.202 0.000 . 1 . . . . . 679 ILE HD11 . 28110 1 689 . 1 . 1 174 174 ILE HD12 H 1 0.202 0.000 . 1 . . . . . 679 ILE HD12 . 28110 1 690 . 1 . 1 174 174 ILE HD13 H 1 0.202 0.000 . 1 . . . . . 679 ILE HD13 . 28110 1 691 . 1 . 1 174 174 ILE CD1 C 13 11.281 0.000 . 1 . . . . . 679 ILE CD1 . 28110 1 692 . 1 . 1 175 175 LEU HD11 H 1 0.865 0.001 . 1 . . . . . 680 LEU HD11 . 28110 1 693 . 1 . 1 175 175 LEU HD12 H 1 0.865 0.001 . 1 . . . . . 680 LEU HD12 . 28110 1 694 . 1 . 1 175 175 LEU HD13 H 1 0.865 0.001 . 1 . . . . . 680 LEU HD13 . 28110 1 695 . 1 . 1 175 175 LEU HD21 H 1 0.755 0.001 . 1 . . . . . 680 LEU HD21 . 28110 1 696 . 1 . 1 175 175 LEU HD22 H 1 0.755 0.001 . 1 . . . . . 680 LEU HD22 . 28110 1 697 . 1 . 1 175 175 LEU HD23 H 1 0.755 0.001 . 1 . . . . . 680 LEU HD23 . 28110 1 698 . 1 . 1 175 175 LEU CD1 C 13 23.197 0.000 . 1 . . . . . 680 LEU CD1 . 28110 1 699 . 1 . 1 175 175 LEU CD2 C 13 25.746 0.000 . 1 . . . . . 680 LEU CD2 . 28110 1 700 . 1 . 1 178 178 LEU HD11 H 1 0.752 0.001 . 1 . . . . . 683 LEU HD11 . 28110 1 701 . 1 . 1 178 178 LEU HD12 H 1 0.752 0.001 . 1 . . . . . 683 LEU HD12 . 28110 1 702 . 1 . 1 178 178 LEU HD13 H 1 0.752 0.001 . 1 . . . . . 683 LEU HD13 . 28110 1 703 . 1 . 1 178 178 LEU HD21 H 1 0.982 0.000 . 1 . . . . . 683 LEU HD21 . 28110 1 704 . 1 . 1 178 178 LEU HD22 H 1 0.982 0.000 . 1 . . . . . 683 LEU HD22 . 28110 1 705 . 1 . 1 178 178 LEU HD23 H 1 0.982 0.000 . 1 . . . . . 683 LEU HD23 . 28110 1 706 . 1 . 1 178 178 LEU CD1 C 13 27.875 0.000 . 1 . . . . . 683 LEU CD1 . 28110 1 707 . 1 . 1 178 178 LEU CD2 C 13 23.609 0.000 . 1 . . . . . 683 LEU CD2 . 28110 1 708 . 1 . 1 191 191 LEU HD11 H 1 0.742 0.001 . 1 . . . . . 696 LEU HD11 . 28110 1 709 . 1 . 1 191 191 LEU HD12 H 1 0.742 0.001 . 1 . . . . . 696 LEU HD12 . 28110 1 710 . 1 . 1 191 191 LEU HD13 H 1 0.742 0.001 . 1 . . . . . 696 LEU HD13 . 28110 1 711 . 1 . 1 191 191 LEU HD21 H 1 0.228 0.001 . 1 . . . . . 696 LEU HD21 . 28110 1 712 . 1 . 1 191 191 LEU HD22 H 1 0.228 0.001 . 1 . . . . . 696 LEU HD22 . 28110 1 713 . 1 . 1 191 191 LEU HD23 H 1 0.228 0.001 . 1 . . . . . 696 LEU HD23 . 28110 1 714 . 1 . 1 191 191 LEU CD1 C 13 28.051 0.000 . 1 . . . . . 696 LEU CD1 . 28110 1 715 . 1 . 1 191 191 LEU CD2 C 13 23.812 0.000 . 1 . . . . . 696 LEU CD2 . 28110 1 716 . 1 . 1 192 192 ILE HD11 H 1 0.423 0.000 . 1 . . . . . 697 ILE HD11 . 28110 1 717 . 1 . 1 192 192 ILE HD12 H 1 0.423 0.000 . 1 . . . . . 697 ILE HD12 . 28110 1 718 . 1 . 1 192 192 ILE HD13 H 1 0.423 0.000 . 1 . . . . . 697 ILE HD13 . 28110 1 719 . 1 . 1 192 192 ILE CD1 C 13 13.660 0.000 . 1 . . . . . 697 ILE CD1 . 28110 1 720 . 1 . 1 197 197 LEU HD11 H 1 0.640 0.000 . 1 . . . . . 702 LEU HD11 . 28110 1 721 . 1 . 1 197 197 LEU HD12 H 1 0.640 0.000 . 1 . . . . . 702 LEU HD12 . 28110 1 722 . 1 . 1 197 197 LEU HD13 H 1 0.640 0.000 . 1 . . . . . 702 LEU HD13 . 28110 1 723 . 1 . 1 197 197 LEU HD21 H 1 0.765 0.001 . 1 . . . . . 702 LEU HD21 . 28110 1 724 . 1 . 1 197 197 LEU HD22 H 1 0.765 0.001 . 1 . . . . . 702 LEU HD22 . 28110 1 725 . 1 . 1 197 197 LEU HD23 H 1 0.765 0.001 . 1 . . . . . 702 LEU HD23 . 28110 1 726 . 1 . 1 197 197 LEU CD1 C 13 26.645 0.000 . 1 . . . . . 702 LEU CD1 . 28110 1 727 . 1 . 1 197 197 LEU CD2 C 13 24.088 0.000 . 1 . . . . . 702 LEU CD2 . 28110 1 728 . 1 . 1 203 203 ILE HD11 H 1 0.774 0.000 . 1 . . . . . 708 ILE HD11 . 28110 1 729 . 1 . 1 203 203 ILE HD12 H 1 0.774 0.000 . 1 . . . . . 708 ILE HD12 . 28110 1 730 . 1 . 1 203 203 ILE HD13 H 1 0.774 0.000 . 1 . . . . . 708 ILE HD13 . 28110 1 731 . 1 . 1 203 203 ILE CD1 C 13 13.865 0.000 . 1 . . . . . 708 ILE CD1 . 28110 1 stop_ save_