data_18464 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18464 _Entry.Title ; The solution structure of Ca2+ binding domain 2B of the third isoform of the Na+/Ca2+ exchanger ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-15 _Entry.Accession_date 2012-05-15 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; The solution structure of calcium binding domain 2B of NCX3 is solved in excess of 10 mM CaCl2. However, Ca ions are not modeled in the structure, because resonances of crucial coordinating residues are lacking: res 605 to 610 and 665 to 669. ; _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.Entry_ID 1 Vincent Breukels . . . 18464 2 Wouter Touw . G. . 18464 3 Geerten Vuister . W. . 18464 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18464 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'calcium binding domain 2' . 18464 CBD . 18464 CBD2 . 18464 'NaCa exchanger' . 18464 NCX . 18464 NCX3 . 18464 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18464 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 572 18464 '15N chemical shifts' 135 18464 '1H chemical shifts' 901 18464 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-07 2012-05-15 update BMRB 'update entry citation' 18464 1 . . 2012-07-30 2012-05-15 original author 'original release' 18464 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7008 'Entry containing resonance assignments of CBD2 of NCX isoform 1' 18464 BMRB 7009 'Entry containing assignments of CBD1 of NCX isoform 1' 18464 PDB 2LT9 'BMRB Entry Tracking System' 18464 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18464 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22806131 _Citation.Full_citation . _Citation.Title 'NMR structure note: solution structure of Ca2+ binding domain 2B of the third isoform of the Na+/Ca2+ exchanger' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 54 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 115 _Citation.Page_last 121 _Citation.Year 2012 _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.Entry_ID _Citation_author.Citation_ID 1 Vincent Breukels . . . 18464 1 2 Wouter Touw . G. . 18464 1 3 Geerten Vuister . W. . 18464 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18464 _Assembly.ID 1 _Assembly.Name NCX3 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 NCX3 1 $NCX3 A . yes native no no . . . 18464 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NCX3 _Entity.Sf_category entity _Entity.Sf_framecode NCX3 _Entity.Entry_ID 18464 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NCX3 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MASHHHHHHHAGIFTFECDT IHVSESIGVMEVKVLRTSGA RGTVIVPFRTVEGTAKGGGE DFEDAYGELEFKNDETVKTI RVKIVDEEEYERQENFFIAL GEPKWMERGISEVTDRKLTV EEEEAKRIAEMGKPVLGEHP KLEVIIEESYEFKSTVD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 157 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16781.945 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q7TS90 . Slc8a3 . . . . . . . . . . . . . . 18464 1 2 no PDB 2LT9 . "The Solution Structure Of Ca2+ Binding Domain 2b Of The Third Isoform Of The Na+CA2+ EXCHANGER" . . . . . 100.00 157 100.00 100.00 6.82e-107 . . . . 18464 1 3 no GB EDL02702 . "solute carrier family 8 (sodium/calcium exchanger), member 3, isoform CRA_a, partial [Mus musculus]" . . . . . 50.96 152 100.00 100.00 1.74e-45 . . . . 18464 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 519 MET . 18464 1 2 520 ALA . 18464 1 3 521 SER . 18464 1 4 522 HIS . 18464 1 5 523 HIS . 18464 1 6 524 HIS . 18464 1 7 525 HIS . 18464 1 8 526 HIS . 18464 1 9 527 HIS . 18464 1 10 528 HIS . 18464 1 11 529 ALA . 18464 1 12 530 GLY . 18464 1 13 531 ILE . 18464 1 14 532 PHE . 18464 1 15 533 THR . 18464 1 16 534 PHE . 18464 1 17 535 GLU . 18464 1 18 536 CYS . 18464 1 19 537 ASP . 18464 1 20 538 THR . 18464 1 21 539 ILE . 18464 1 22 540 HIS . 18464 1 23 541 VAL . 18464 1 24 542 SER . 18464 1 25 543 GLU . 18464 1 26 544 SER . 18464 1 27 545 ILE . 18464 1 28 546 GLY . 18464 1 29 547 VAL . 18464 1 30 548 MET . 18464 1 31 549 GLU . 18464 1 32 550 VAL . 18464 1 33 551 LYS . 18464 1 34 552 VAL . 18464 1 35 553 LEU . 18464 1 36 554 ARG . 18464 1 37 555 THR . 18464 1 38 556 SER . 18464 1 39 557 GLY . 18464 1 40 558 ALA . 18464 1 41 559 ARG . 18464 1 42 560 GLY . 18464 1 43 561 THR . 18464 1 44 562 VAL . 18464 1 45 563 ILE . 18464 1 46 564 VAL . 18464 1 47 565 PRO . 18464 1 48 566 PHE . 18464 1 49 567 ARG . 18464 1 50 568 THR . 18464 1 51 569 VAL . 18464 1 52 570 GLU . 18464 1 53 571 GLY . 18464 1 54 572 THR . 18464 1 55 573 ALA . 18464 1 56 574 LYS . 18464 1 57 575 GLY . 18464 1 58 576 GLY . 18464 1 59 577 GLY . 18464 1 60 578 GLU . 18464 1 61 579 ASP . 18464 1 62 580 PHE . 18464 1 63 581 GLU . 18464 1 64 582 ASP . 18464 1 65 583 ALA . 18464 1 66 584 TYR . 18464 1 67 585 GLY . 18464 1 68 586 GLU . 18464 1 69 587 LEU . 18464 1 70 588 GLU . 18464 1 71 589 PHE . 18464 1 72 590 LYS . 18464 1 73 591 ASN . 18464 1 74 592 ASP . 18464 1 75 593 GLU . 18464 1 76 594 THR . 18464 1 77 595 VAL . 18464 1 78 596 LYS . 18464 1 79 597 THR . 18464 1 80 598 ILE . 18464 1 81 599 ARG . 18464 1 82 600 VAL . 18464 1 83 601 LYS . 18464 1 84 602 ILE . 18464 1 85 603 VAL . 18464 1 86 604 ASP . 18464 1 87 605 GLU . 18464 1 88 606 GLU . 18464 1 89 607 GLU . 18464 1 90 608 TYR . 18464 1 91 609 GLU . 18464 1 92 610 ARG . 18464 1 93 611 GLN . 18464 1 94 612 GLU . 18464 1 95 613 ASN . 18464 1 96 614 PHE . 18464 1 97 615 PHE . 18464 1 98 616 ILE . 18464 1 99 617 ALA . 18464 1 100 618 LEU . 18464 1 101 619 GLY . 18464 1 102 620 GLU . 18464 1 103 621 PRO . 18464 1 104 622 LYS . 18464 1 105 623 TRP . 18464 1 106 624 MET . 18464 1 107 625 GLU . 18464 1 108 626 ARG . 18464 1 109 627 GLY . 18464 1 110 628 ILE . 18464 1 111 629 SER . 18464 1 112 630 GLU . 18464 1 113 631 VAL . 18464 1 114 632 THR . 18464 1 115 633 ASP . 18464 1 116 634 ARG . 18464 1 117 635 LYS . 18464 1 118 636 LEU . 18464 1 119 637 THR . 18464 1 120 638 VAL . 18464 1 121 639 GLU . 18464 1 122 640 GLU . 18464 1 123 641 GLU . 18464 1 124 642 GLU . 18464 1 125 643 ALA . 18464 1 126 644 LYS . 18464 1 127 645 ARG . 18464 1 128 646 ILE . 18464 1 129 647 ALA . 18464 1 130 648 GLU . 18464 1 131 649 MET . 18464 1 132 650 GLY . 18464 1 133 651 LYS . 18464 1 134 652 PRO . 18464 1 135 653 VAL . 18464 1 136 654 LEU . 18464 1 137 655 GLY . 18464 1 138 656 GLU . 18464 1 139 657 HIS . 18464 1 140 658 PRO . 18464 1 141 659 LYS . 18464 1 142 660 LEU . 18464 1 143 661 GLU . 18464 1 144 662 VAL . 18464 1 145 663 ILE . 18464 1 146 664 ILE . 18464 1 147 665 GLU . 18464 1 148 666 GLU . 18464 1 149 667 SER . 18464 1 150 668 TYR . 18464 1 151 669 GLU . 18464 1 152 670 PHE . 18464 1 153 671 LYS . 18464 1 154 672 SER . 18464 1 155 673 THR . 18464 1 156 674 VAL . 18464 1 157 675 ASP . 18464 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 . MET 1 1 18464 1 . ALA 2 2 18464 1 . SER 3 3 18464 1 . HIS 4 4 18464 1 . HIS 5 5 18464 1 . HIS 6 6 18464 1 . HIS 7 7 18464 1 . HIS 8 8 18464 1 . HIS 9 9 18464 1 . HIS 10 10 18464 1 . ALA 11 11 18464 1 . GLY 12 12 18464 1 . ILE 13 13 18464 1 . PHE 14 14 18464 1 . THR 15 15 18464 1 . PHE 16 16 18464 1 . GLU 17 17 18464 1 . CYS 18 18 18464 1 . ASP 19 19 18464 1 . THR 20 20 18464 1 . ILE 21 21 18464 1 . HIS 22 22 18464 1 . VAL 23 23 18464 1 . SER 24 24 18464 1 . GLU 25 25 18464 1 . SER 26 26 18464 1 . ILE 27 27 18464 1 . GLY 28 28 18464 1 . VAL 29 29 18464 1 . MET 30 30 18464 1 . GLU 31 31 18464 1 . VAL 32 32 18464 1 . LYS 33 33 18464 1 . VAL 34 34 18464 1 . LEU 35 35 18464 1 . ARG 36 36 18464 1 . THR 37 37 18464 1 . SER 38 38 18464 1 . GLY 39 39 18464 1 . ALA 40 40 18464 1 . ARG 41 41 18464 1 . GLY 42 42 18464 1 . THR 43 43 18464 1 . VAL 44 44 18464 1 . ILE 45 45 18464 1 . VAL 46 46 18464 1 . PRO 47 47 18464 1 . PHE 48 48 18464 1 . ARG 49 49 18464 1 . THR 50 50 18464 1 . VAL 51 51 18464 1 . GLU 52 52 18464 1 . GLY 53 53 18464 1 . THR 54 54 18464 1 . ALA 55 55 18464 1 . LYS 56 56 18464 1 . GLY 57 57 18464 1 . GLY 58 58 18464 1 . GLY 59 59 18464 1 . GLU 60 60 18464 1 . ASP 61 61 18464 1 . PHE 62 62 18464 1 . GLU 63 63 18464 1 . ASP 64 64 18464 1 . ALA 65 65 18464 1 . TYR 66 66 18464 1 . GLY 67 67 18464 1 . GLU 68 68 18464 1 . LEU 69 69 18464 1 . GLU 70 70 18464 1 . PHE 71 71 18464 1 . LYS 72 72 18464 1 . ASN 73 73 18464 1 . ASP 74 74 18464 1 . GLU 75 75 18464 1 . THR 76 76 18464 1 . VAL 77 77 18464 1 . LYS 78 78 18464 1 . THR 79 79 18464 1 . ILE 80 80 18464 1 . ARG 81 81 18464 1 . VAL 82 82 18464 1 . LYS 83 83 18464 1 . ILE 84 84 18464 1 . VAL 85 85 18464 1 . ASP 86 86 18464 1 . GLU 87 87 18464 1 . GLU 88 88 18464 1 . GLU 89 89 18464 1 . TYR 90 90 18464 1 . GLU 91 91 18464 1 . ARG 92 92 18464 1 . GLN 93 93 18464 1 . GLU 94 94 18464 1 . ASN 95 95 18464 1 . PHE 96 96 18464 1 . PHE 97 97 18464 1 . ILE 98 98 18464 1 . ALA 99 99 18464 1 . LEU 100 100 18464 1 . GLY 101 101 18464 1 . GLU 102 102 18464 1 . PRO 103 103 18464 1 . LYS 104 104 18464 1 . TRP 105 105 18464 1 . MET 106 106 18464 1 . GLU 107 107 18464 1 . ARG 108 108 18464 1 . GLY 109 109 18464 1 . ILE 110 110 18464 1 . SER 111 111 18464 1 . GLU 112 112 18464 1 . VAL 113 113 18464 1 . THR 114 114 18464 1 . ASP 115 115 18464 1 . ARG 116 116 18464 1 . LYS 117 117 18464 1 . LEU 118 118 18464 1 . THR 119 119 18464 1 . VAL 120 120 18464 1 . GLU 121 121 18464 1 . GLU 122 122 18464 1 . GLU 123 123 18464 1 . GLU 124 124 18464 1 . ALA 125 125 18464 1 . LYS 126 126 18464 1 . ARG 127 127 18464 1 . ILE 128 128 18464 1 . ALA 129 129 18464 1 . GLU 130 130 18464 1 . MET 131 131 18464 1 . GLY 132 132 18464 1 . LYS 133 133 18464 1 . PRO 134 134 18464 1 . VAL 135 135 18464 1 . LEU 136 136 18464 1 . GLY 137 137 18464 1 . GLU 138 138 18464 1 . HIS 139 139 18464 1 . PRO 140 140 18464 1 . LYS 141 141 18464 1 . LEU 142 142 18464 1 . GLU 143 143 18464 1 . VAL 144 144 18464 1 . ILE 145 145 18464 1 . ILE 146 146 18464 1 . GLU 147 147 18464 1 . GLU 148 148 18464 1 . SER 149 149 18464 1 . TYR 150 150 18464 1 . GLU 151 151 18464 1 . PHE 152 152 18464 1 . LYS 153 153 18464 1 . SER 154 154 18464 1 . THR 155 155 18464 1 . VAL 156 156 18464 1 . ASP 157 157 18464 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 18464 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NCX3 . 10090 organism . 'Mus musculus' 'House mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18464 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 18464 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NCX3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET23b . . . . . . 18464 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18464 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NCX3 '[U-100% 13C; U-100% 15N]' . . 1 $NCX3 . . 0.5 . . mM 0.1 . . . 18464 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 18464 1 3 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 18464 1 4 CaCl2 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 18464 1 5 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 18464 1 6 D2O 'natural abundance' . . . . . . 5 . . % 0.1 . . . 18464 1 stop_ save_ save_sample_pf1phage _Sample.Sf_category sample _Sample.Sf_framecode sample_pf1phage _Sample.Entry_ID 18464 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NCX3 '[U-100% 15N]' . . 1 $NCX3 . . 0.5 . . mM 0.1 . . . 18464 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 18464 2 3 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 18464 2 4 CaCl2 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 18464 2 5 'Pf1 phage' 'natural abundance' . . . . . . 8 . . mg/mL 0.5 . . . 18464 2 6 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 18464 2 7 D2O 'natural abundance' . . . . . . 5 . . % 0.1 . . . 18464 2 stop_ save_ save_sample_isotrope _Sample.Sf_category sample _Sample.Sf_framecode sample_isotrope _Sample.Entry_ID 18464 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NCX3 '[U-100% 15N]' . . 1 $NCX3 . . 0.5 . . mM 0.1 . . . 18464 3 2 HEPES 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 18464 3 3 beta-mercaptoethanol 'natural abundance' . . . . . . 20 . . mM 0.1 . . . 18464 3 4 CaCl2 'natural abundance' . . . . . . 10 . . mM 0.1 . . . 18464 3 5 H2O 'natural abundance' . . . . . . 95 . . % 0.1 . . . 18464 3 6 D2O 'natural abundance' . . . . . . 5 . . % 0.1 . . . 18464 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 18464 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 18464 1 pH 7.0 0.1 pH 18464 1 pressure 1 . atm 18464 1 temperature 306 1 K 18464 1 stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 18464 _Software.ID 1 _Software.Name CCPN_Analysis _Software.Version 2.2.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18464 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18464 1 'peak picking' 18464 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18464 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/bax/NMRPipe 18464 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18464 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 18464 _Software.ID 3 _Software.Name NMRDraw _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/bax/NMRPipe 18464 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18464 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18464 _Software.ID 4 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . http://www.cyana.org 18464 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18464 4 stop_ save_ save_YASARA _Software.Sf_category software _Software.Sf_framecode YASARA _Software.Entry_ID 18464 _Software.ID 5 _Software.Name YASARA _Software.Version 11.9.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'E. Krieger, Koraimann G, Vriend G' . http://www.yasara.org 18464 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18464 5 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 18464 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18464 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 18464 _NMR_spectrometer_list.ID 1 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 Varian INOVA . 800 . . . 18464 1 2 spectrometer_2 Varian INOVA . 600 . . . 18464 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 18464 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18464 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18464 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18464 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18464 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18464 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18464 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18464 1 8 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 2 $sample_pf1phage anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18464 1 9 '2D 1H-13C IPAP HSQC' no . . . . . . . . . . 3 $sample_isotrope isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18464 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18464 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18464 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18464 1 13 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18464 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 18464 _Chem_shift_reference.ID 1 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18464 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18464 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18464 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 18464 _Assigned_chem_shift_list.ID 1 _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 '2D 1H-15N HSQC' . . . 18464 1 2 '3D HNCO' . . . 18464 1 3 '3D HNCACB' . . . 18464 1 4 '3D CBCA(CO)NH' . . . 18464 1 5 '3D HBHA(CO)NH' . . . 18464 1 6 '3D HCCH-TOCSY' . . . 18464 1 7 '3D HNHA' . . . 18464 1 11 '3D 1H-13C NOESY aromatic' . . . 18464 1 13 '3D C(CO)NH' . . . 18464 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.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 9 9 HIS HA H 1 4.662 0.010 . 1 . . . . 527 HIS HA . 18464 1 2 . 1 1 9 9 HIS HB2 H 1 3.112 0.010 . 2 . . . . 527 HIS HB2 . 18464 1 3 . 1 1 9 9 HIS HB3 H 1 2.994 0.010 . 2 . . . . 527 HIS HB3 . 18464 1 4 . 1 1 9 9 HIS CA C 13 55.803 0.100 . 1 . . . . 527 HIS CA . 18464 1 5 . 1 1 9 9 HIS CB C 13 30.851 0.100 . 1 . . . . 527 HIS CB . 18464 1 6 . 1 1 10 10 HIS H H 1 7.989 0.010 . 1 . . . A 528 HIS H . 18464 1 7 . 1 1 10 10 HIS HA H 1 4.330 0.010 . 1 . . . A 528 HIS HA . 18464 1 8 . 1 1 10 10 HIS HB2 H 1 2.940 0.010 . 2 . . . A 528 HIS HB2 . 18464 1 9 . 1 1 10 10 HIS HB3 H 1 2.916 0.010 . 2 . . . A 528 HIS HB3 . 18464 1 10 . 1 1 10 10 HIS HD2 H 1 6.828 0.010 . 1 . . . A 528 HIS HD2 . 18464 1 11 . 1 1 10 10 HIS HE1 H 1 7.719 0.010 . 1 . . . A 528 HIS HE1 . 18464 1 12 . 1 1 10 10 HIS CA C 13 57.549 0.100 . 1 . . . A 528 HIS CA . 18464 1 13 . 1 1 10 10 HIS CB C 13 33.069 0.100 . 1 . . . A 528 HIS CB . 18464 1 14 . 1 1 10 10 HIS CD2 C 13 119.456 0.100 . 1 . . . A 528 HIS CD2 . 18464 1 15 . 1 1 10 10 HIS CE1 C 13 138.438 0.100 . 1 . . . A 528 HIS CE1 . 18464 1 16 . 1 1 10 10 HIS N N 15 122.177 0.100 . 1 . . . A 528 HIS N . 18464 1 17 . 1 1 11 11 ALA H H 1 8.245 0.010 . 1 . . . A 529 ALA H . 18464 1 18 . 1 1 11 11 ALA HA H 1 4.490 0.010 . 1 . . . A 529 ALA HA . 18464 1 19 . 1 1 11 11 ALA HB1 H 1 0.400 0.010 . 1 . . . A 529 ALA HB1 . 18464 1 20 . 1 1 11 11 ALA HB2 H 1 0.400 0.010 . 1 . . . A 529 ALA HB2 . 18464 1 21 . 1 1 11 11 ALA HB3 H 1 0.400 0.010 . 1 . . . A 529 ALA HB3 . 18464 1 22 . 1 1 11 11 ALA CA C 13 53.394 0.100 . 1 . . . A 529 ALA CA . 18464 1 23 . 1 1 11 11 ALA CB C 13 19.131 0.100 . 1 . . . A 529 ALA CB . 18464 1 24 . 1 1 11 11 ALA N N 15 125.106 0.100 . 1 . . . A 529 ALA N . 18464 1 25 . 1 1 12 12 GLY H H 1 7.365 0.010 . 1 . . . A 530 GLY H . 18464 1 26 . 1 1 12 12 GLY HA2 H 1 3.849 0.010 . 2 . . . A 530 GLY HA2 . 18464 1 27 . 1 1 12 12 GLY HA3 H 1 3.470 0.010 . 2 . . . A 530 GLY HA3 . 18464 1 28 . 1 1 12 12 GLY C C 13 171.617 0.100 . 1 . . . A 530 GLY C . 18464 1 29 . 1 1 12 12 GLY CA C 13 44.529 0.100 . 1 . . . A 530 GLY CA . 18464 1 30 . 1 1 12 12 GLY N N 15 107.513 0.100 . 1 . . . A 530 GLY N . 18464 1 31 . 1 1 13 13 ILE H H 1 8.100 0.010 . 1 . . . A 531 ILE H . 18464 1 32 . 1 1 13 13 ILE HA H 1 4.672 0.010 . 1 . . . A 531 ILE HA . 18464 1 33 . 1 1 13 13 ILE HB H 1 1.490 0.010 . 1 . . . A 531 ILE HB . 18464 1 34 . 1 1 13 13 ILE HG12 H 1 1.133 0.010 . 2 . . . A 531 ILE HG12 . 18464 1 35 . 1 1 13 13 ILE HG13 H 1 1.133 0.010 . 2 . . . A 531 ILE HG13 . 18464 1 36 . 1 1 13 13 ILE HG21 H 1 0.514 0.010 . 1 . . . A 531 ILE HG21 . 18464 1 37 . 1 1 13 13 ILE HG22 H 1 0.514 0.010 . 1 . . . A 531 ILE HG22 . 18464 1 38 . 1 1 13 13 ILE HG23 H 1 0.514 0.010 . 1 . . . A 531 ILE HG23 . 18464 1 39 . 1 1 13 13 ILE HD11 H 1 0.579 0.010 . 1 . . . A 531 ILE HD11 . 18464 1 40 . 1 1 13 13 ILE HD12 H 1 0.579 0.010 . 1 . . . A 531 ILE HD12 . 18464 1 41 . 1 1 13 13 ILE HD13 H 1 0.579 0.010 . 1 . . . A 531 ILE HD13 . 18464 1 42 . 1 1 13 13 ILE C C 13 177.630 0.100 . 1 . . . A 531 ILE C . 18464 1 43 . 1 1 13 13 ILE CA C 13 60.320 0.100 . 1 . . . A 531 ILE CA . 18464 1 44 . 1 1 13 13 ILE CB C 13 37.838 0.100 . 1 . . . A 531 ILE CB . 18464 1 45 . 1 1 13 13 ILE CG1 C 13 26.691 0.100 . 1 . . . A 531 ILE CG1 . 18464 1 46 . 1 1 13 13 ILE CG2 C 13 17.577 0.100 . 1 . . . A 531 ILE CG2 . 18464 1 47 . 1 1 13 13 ILE CD1 C 13 13.207 0.100 . 1 . . . A 531 ILE CD1 . 18464 1 48 . 1 1 13 13 ILE N N 15 121.275 0.100 . 1 . . . A 531 ILE N . 18464 1 49 . 1 1 14 14 PHE H H 1 8.857 0.010 . 1 . . . A 532 PHE H . 18464 1 50 . 1 1 14 14 PHE HA H 1 5.333 0.010 . 1 . . . A 532 PHE HA . 18464 1 51 . 1 1 14 14 PHE HB2 H 1 2.659 0.010 . 2 . . . A 532 PHE HB2 . 18464 1 52 . 1 1 14 14 PHE HB3 H 1 2.311 0.010 . 2 . . . A 532 PHE HB3 . 18464 1 53 . 1 1 14 14 PHE HD1 H 1 6.637 0.010 . 3 . . . A 532 PHE HD1 . 18464 1 54 . 1 1 14 14 PHE HD2 H 1 6.637 0.010 . 3 . . . A 532 PHE HD2 . 18464 1 55 . 1 1 14 14 PHE C C 13 175.636 0.100 . 1 . . . A 532 PHE C . 18464 1 56 . 1 1 14 14 PHE CA C 13 57.659 0.100 . 1 . . . A 532 PHE CA . 18464 1 57 . 1 1 14 14 PHE CB C 13 41.159 0.100 . 1 . . . A 532 PHE CB . 18464 1 58 . 1 1 14 14 PHE CD1 C 13 131.590 0.100 . 3 . . . A 532 PHE CD1 . 18464 1 59 . 1 1 14 14 PHE CD2 C 13 131.590 0.100 . 3 . . . A 532 PHE CD2 . 18464 1 60 . 1 1 14 14 PHE N N 15 126.918 0.100 . 1 . . . A 532 PHE N . 18464 1 61 . 1 1 15 15 THR H H 1 8.896 0.010 . 1 . . . A 533 THR H . 18464 1 62 . 1 1 15 15 THR HA H 1 4.521 0.010 . 1 . . . A 533 THR HA . 18464 1 63 . 1 1 15 15 THR HB H 1 3.792 0.010 . 1 . . . A 533 THR HB . 18464 1 64 . 1 1 15 15 THR HG21 H 1 1.136 0.010 . 1 . . . A 533 THR HG21 . 18464 1 65 . 1 1 15 15 THR HG22 H 1 1.136 0.010 . 1 . . . A 533 THR HG22 . 18464 1 66 . 1 1 15 15 THR HG23 H 1 1.136 0.010 . 1 . . . A 533 THR HG23 . 18464 1 67 . 1 1 15 15 THR C C 13 171.776 0.100 . 1 . . . A 533 THR C . 18464 1 68 . 1 1 15 15 THR CA C 13 60.237 0.100 . 1 . . . A 533 THR CA . 18464 1 69 . 1 1 15 15 THR CB C 13 70.660 0.100 . 1 . . . A 533 THR CB . 18464 1 70 . 1 1 15 15 THR CG2 C 13 18.852 0.100 . 1 . . . A 533 THR CG2 . 18464 1 71 . 1 1 15 15 THR N N 15 117.502 0.100 . 1 . . . A 533 THR N . 18464 1 72 . 1 1 16 16 PHE H H 1 8.700 0.010 . 1 . . . A 534 PHE H . 18464 1 73 . 1 1 16 16 PHE HA H 1 5.256 0.010 . 1 . . . A 534 PHE HA . 18464 1 74 . 1 1 16 16 PHE HB2 H 1 3.696 0.010 . 2 . . . A 534 PHE HB2 . 18464 1 75 . 1 1 16 16 PHE HB3 H 1 3.222 0.010 . 2 . . . A 534 PHE HB3 . 18464 1 76 . 1 1 16 16 PHE HD1 H 1 7.503 0.010 . 3 . . . A 534 PHE HD1 . 18464 1 77 . 1 1 16 16 PHE HD2 H 1 7.503 0.010 . 3 . . . A 534 PHE HD2 . 18464 1 78 . 1 1 16 16 PHE HE1 H 1 7.036 0.010 . 3 . . . A 534 PHE HE1 . 18464 1 79 . 1 1 16 16 PHE HE2 H 1 7.036 0.010 . 3 . . . A 534 PHE HE2 . 18464 1 80 . 1 1 16 16 PHE HZ H 1 6.661 0.010 . 1 . . . A 534 PHE HZ . 18464 1 81 . 1 1 16 16 PHE C C 13 178.264 0.100 . 1 . . . A 534 PHE C . 18464 1 82 . 1 1 16 16 PHE CA C 13 60.092 0.100 . 1 . . . A 534 PHE CA . 18464 1 83 . 1 1 16 16 PHE CB C 13 40.134 0.100 . 1 . . . A 534 PHE CB . 18464 1 84 . 1 1 16 16 PHE CD1 C 13 132.482 0.100 . 3 . . . A 534 PHE CD1 . 18464 1 85 . 1 1 16 16 PHE CD2 C 13 132.482 0.100 . 3 . . . A 534 PHE CD2 . 18464 1 86 . 1 1 16 16 PHE CE1 C 13 130.943 0.100 . 3 . . . A 534 PHE CE1 . 18464 1 87 . 1 1 16 16 PHE CE2 C 13 130.943 0.100 . 3 . . . A 534 PHE CE2 . 18464 1 88 . 1 1 16 16 PHE CZ C 13 128.087 0.100 . 1 . . . A 534 PHE CZ . 18464 1 89 . 1 1 16 16 PHE N N 15 123.348 0.100 . 1 . . . A 534 PHE N . 18464 1 90 . 1 1 17 17 GLU H H 1 10.409 0.010 . 1 . . . A 535 GLU H . 18464 1 91 . 1 1 17 17 GLU HA H 1 4.183 0.010 . 1 . . . A 535 GLU HA . 18464 1 92 . 1 1 17 17 GLU HB2 H 1 2.305 0.010 . 2 . . . A 535 GLU HB2 . 18464 1 93 . 1 1 17 17 GLU HB3 H 1 2.253 0.010 . 2 . . . A 535 GLU HB3 . 18464 1 94 . 1 1 17 17 GLU HG2 H 1 2.487 0.010 . 2 . . . A 535 GLU HG2 . 18464 1 95 . 1 1 17 17 GLU HG3 H 1 2.310 0.010 . 2 . . . A 535 GLU HG3 . 18464 1 96 . 1 1 17 17 GLU CA C 13 59.084 0.100 . 1 . . . A 535 GLU CA . 18464 1 97 . 1 1 17 17 GLU CB C 13 31.337 0.100 . 1 . . . A 535 GLU CB . 18464 1 98 . 1 1 17 17 GLU CG C 13 38.628 0.100 . 1 . . . A 535 GLU CG . 18464 1 99 . 1 1 17 17 GLU N N 15 119.865 0.100 . 1 . . . A 535 GLU N . 18464 1 100 . 1 1 18 18 CYS H H 1 7.573 0.010 . 1 . . . A 536 CYS H . 18464 1 101 . 1 1 18 18 CYS HA H 1 4.034 0.010 . 1 . . . A 536 CYS HA . 18464 1 102 . 1 1 18 18 CYS HB2 H 1 3.229 0.010 . 2 . . . A 536 CYS HB2 . 18464 1 103 . 1 1 18 18 CYS HB3 H 1 3.121 0.010 . 2 . . . A 536 CYS HB3 . 18464 1 104 . 1 1 18 18 CYS CA C 13 54.827 0.100 . 1 . . . A 536 CYS CA . 18464 1 105 . 1 1 18 18 CYS CB C 13 42.197 0.100 . 1 . . . A 536 CYS CB . 18464 1 106 . 1 1 18 18 CYS N N 15 112.803 0.100 . 1 . . . A 536 CYS N . 18464 1 107 . 1 1 19 19 ASP H H 1 7.842 0.010 . 1 . . . A 537 ASP H . 18464 1 108 . 1 1 19 19 ASP HA H 1 4.854 0.010 . 1 . . . A 537 ASP HA . 18464 1 109 . 1 1 19 19 ASP HB2 H 1 2.842 0.010 . 2 . . . A 537 ASP HB2 . 18464 1 110 . 1 1 19 19 ASP HB3 H 1 2.842 0.010 . 2 . . . A 537 ASP HB3 . 18464 1 111 . 1 1 19 19 ASP CA C 13 55.291 0.100 . 1 . . . A 537 ASP CA . 18464 1 112 . 1 1 19 19 ASP CB C 13 42.321 0.100 . 1 . . . A 537 ASP CB . 18464 1 113 . 1 1 19 19 ASP N N 15 111.845 0.100 . 1 . . . A 537 ASP N . 18464 1 114 . 1 1 20 20 THR H H 1 7.267 0.010 . 1 . . . A 538 THR H . 18464 1 115 . 1 1 20 20 THR HA H 1 5.499 0.010 . 1 . . . A 538 THR HA . 18464 1 116 . 1 1 20 20 THR HB H 1 3.734 0.010 . 1 . . . A 538 THR HB . 18464 1 117 . 1 1 20 20 THR HG21 H 1 0.966 0.010 . 1 . . . A 538 THR HG21 . 18464 1 118 . 1 1 20 20 THR HG22 H 1 0.966 0.010 . 1 . . . A 538 THR HG22 . 18464 1 119 . 1 1 20 20 THR HG23 H 1 0.966 0.010 . 1 . . . A 538 THR HG23 . 18464 1 120 . 1 1 20 20 THR CA C 13 61.435 0.100 . 1 . . . A 538 THR CA . 18464 1 121 . 1 1 20 20 THR CB C 13 72.869 0.100 . 1 . . . A 538 THR CB . 18464 1 122 . 1 1 20 20 THR CG2 C 13 21.822 0.100 . 1 . . . A 538 THR CG2 . 18464 1 123 . 1 1 20 20 THR N N 15 116.258 0.100 . 1 . . . A 538 THR N . 18464 1 124 . 1 1 21 21 ILE H H 1 8.999 0.010 . 1 . . . A 539 ILE H . 18464 1 125 . 1 1 21 21 ILE HA H 1 4.598 0.010 . 1 . . . A 539 ILE HA . 18464 1 126 . 1 1 21 21 ILE HB H 1 1.578 0.010 . 1 . . . A 539 ILE HB . 18464 1 127 . 1 1 21 21 ILE HG12 H 1 0.756 0.010 . 2 . . . A 539 ILE HG12 . 18464 1 128 . 1 1 21 21 ILE HG13 H 1 0.756 0.010 . 2 . . . A 539 ILE HG13 . 18464 1 129 . 1 1 21 21 ILE HG21 H 1 0.750 0.010 . 1 . . . A 539 ILE HG21 . 18464 1 130 . 1 1 21 21 ILE HG22 H 1 0.750 0.010 . 1 . . . A 539 ILE HG22 . 18464 1 131 . 1 1 21 21 ILE HG23 H 1 0.750 0.010 . 1 . . . A 539 ILE HG23 . 18464 1 132 . 1 1 21 21 ILE HD11 H 1 0.793 0.010 . 1 . . . A 539 ILE HD11 . 18464 1 133 . 1 1 21 21 ILE HD12 H 1 0.793 0.010 . 1 . . . A 539 ILE HD12 . 18464 1 134 . 1 1 21 21 ILE HD13 H 1 0.793 0.010 . 1 . . . A 539 ILE HD13 . 18464 1 135 . 1 1 21 21 ILE CA C 13 59.533 0.100 . 1 . . . A 539 ILE CA . 18464 1 136 . 1 1 21 21 ILE CB C 13 42.799 0.100 . 1 . . . A 539 ILE CB . 18464 1 137 . 1 1 21 21 ILE CG1 C 13 26.183 0.100 . 1 . . . A 539 ILE CG1 . 18464 1 138 . 1 1 21 21 ILE CG2 C 13 17.518 0.100 . 1 . . . A 539 ILE CG2 . 18464 1 139 . 1 1 21 21 ILE CD1 C 13 14.157 0.100 . 1 . . . A 539 ILE CD1 . 18464 1 140 . 1 1 21 21 ILE N N 15 124.508 0.100 . 1 . . . A 539 ILE N . 18464 1 141 . 1 1 22 22 HIS H H 1 8.448 0.010 . 1 . . . A 540 HIS H . 18464 1 142 . 1 1 22 22 HIS HA H 1 5.411 0.010 . 1 . . . A 540 HIS HA . 18464 1 143 . 1 1 22 22 HIS HB2 H 1 3.021 0.010 . 2 . . . A 540 HIS HB2 . 18464 1 144 . 1 1 22 22 HIS HB3 H 1 2.900 0.010 . 2 . . . A 540 HIS HB3 . 18464 1 145 . 1 1 22 22 HIS HD2 H 1 6.961 0.010 . 1 . . . A 540 HIS HD2 . 18464 1 146 . 1 1 22 22 HIS HE1 H 1 8.198 0.010 . 1 . . . A 540 HIS HE1 . 18464 1 147 . 1 1 22 22 HIS CA C 13 54.368 0.100 . 1 . . . A 540 HIS CA . 18464 1 148 . 1 1 22 22 HIS CB C 13 30.304 0.100 . 1 . . . A 540 HIS CB . 18464 1 149 . 1 1 22 22 HIS CD2 C 13 120.065 0.100 . 1 . . . A 540 HIS CD2 . 18464 1 150 . 1 1 22 22 HIS CE1 C 13 136.298 0.100 . 1 . . . A 540 HIS CE1 . 18464 1 151 . 1 1 22 22 HIS N N 15 124.190 0.100 . 1 . . . A 540 HIS N . 18464 1 152 . 1 1 23 23 VAL H H 1 9.251 0.010 . 1 . . . A 541 VAL H . 18464 1 153 . 1 1 23 23 VAL HA H 1 4.675 0.010 . 1 . . . A 541 VAL HA . 18464 1 154 . 1 1 23 23 VAL HB H 1 2.030 0.010 . 1 . . . A 541 VAL HB . 18464 1 155 . 1 1 23 23 VAL HG11 H 1 0.802 0.010 . 2 . . . A 541 VAL HG11 . 18464 1 156 . 1 1 23 23 VAL HG12 H 1 0.802 0.010 . 2 . . . A 541 VAL HG12 . 18464 1 157 . 1 1 23 23 VAL HG13 H 1 0.802 0.010 . 2 . . . A 541 VAL HG13 . 18464 1 158 . 1 1 23 23 VAL HG21 H 1 0.733 0.010 . 2 . . . A 541 VAL HG21 . 18464 1 159 . 1 1 23 23 VAL HG22 H 1 0.733 0.010 . 2 . . . A 541 VAL HG22 . 18464 1 160 . 1 1 23 23 VAL HG23 H 1 0.733 0.010 . 2 . . . A 541 VAL HG23 . 18464 1 161 . 1 1 23 23 VAL C C 13 173.626 0.100 . 1 . . . A 541 VAL C . 18464 1 162 . 1 1 23 23 VAL CA C 13 58.740 0.100 . 1 . . . A 541 VAL CA . 18464 1 163 . 1 1 23 23 VAL CB C 13 36.067 0.100 . 1 . . . A 541 VAL CB . 18464 1 164 . 1 1 23 23 VAL CG1 C 13 21.759 0.100 . 2 . . . A 541 VAL CG1 . 18464 1 165 . 1 1 23 23 VAL CG2 C 13 19.563 0.100 . 2 . . . A 541 VAL CG2 . 18464 1 166 . 1 1 23 23 VAL N N 15 117.397 0.100 . 1 . . . A 541 VAL N . 18464 1 167 . 1 1 24 24 SER H H 1 8.264 0.010 . 1 . . . A 542 SER H . 18464 1 168 . 1 1 24 24 SER HA H 1 4.462 0.010 . 1 . . . A 542 SER HA . 18464 1 169 . 1 1 24 24 SER HB2 H 1 3.667 0.010 . 2 . . . A 542 SER HB2 . 18464 1 170 . 1 1 24 24 SER HB3 H 1 3.667 0.010 . 2 . . . A 542 SER HB3 . 18464 1 171 . 1 1 24 24 SER C C 13 176.302 0.100 . 1 . . . A 542 SER C . 18464 1 172 . 1 1 24 24 SER CA C 13 57.219 0.100 . 1 . . . A 542 SER CA . 18464 1 173 . 1 1 24 24 SER CB C 13 63.946 0.100 . 1 . . . A 542 SER CB . 18464 1 174 . 1 1 24 24 SER N N 15 116.666 0.100 . 1 . . . A 542 SER N . 18464 1 175 . 1 1 25 25 GLU H H 1 8.699 0.010 . 1 . . . A 543 GLU H . 18464 1 176 . 1 1 25 25 GLU HA H 1 3.840 0.010 . 1 . . . A 543 GLU HA . 18464 1 177 . 1 1 25 25 GLU HB2 H 1 2.164 0.010 . 2 . . . A 543 GLU HB2 . 18464 1 178 . 1 1 25 25 GLU HB3 H 1 1.979 0.010 . 2 . . . A 543 GLU HB3 . 18464 1 179 . 1 1 25 25 GLU HG2 H 1 2.819 0.010 . 2 . . . A 543 GLU HG2 . 18464 1 180 . 1 1 25 25 GLU HG3 H 1 2.481 0.010 . 2 . . . A 543 GLU HG3 . 18464 1 181 . 1 1 25 25 GLU C C 13 175.878 0.100 . 1 . . . A 543 GLU C . 18464 1 182 . 1 1 25 25 GLU CA C 13 58.136 0.100 . 1 . . . A 543 GLU CA . 18464 1 183 . 1 1 25 25 GLU CB C 13 30.006 0.100 . 1 . . . A 543 GLU CB . 18464 1 184 . 1 1 25 25 GLU CG C 13 37.185 0.100 . 1 . . . A 543 GLU CG . 18464 1 185 . 1 1 25 25 GLU N N 15 125.811 0.100 . 1 . . . A 543 GLU N . 18464 1 186 . 1 1 26 26 SER H H 1 7.884 0.010 . 1 . . . A 544 SER H . 18464 1 187 . 1 1 26 26 SER HA H 1 4.362 0.010 . 1 . . . A 544 SER HA . 18464 1 188 . 1 1 26 26 SER HB2 H 1 3.942 0.010 . 2 . . . A 544 SER HB2 . 18464 1 189 . 1 1 26 26 SER HB3 H 1 3.942 0.010 . 2 . . . A 544 SER HB3 . 18464 1 190 . 1 1 26 26 SER C C 13 175.049 0.100 . 1 . . . A 544 SER C . 18464 1 191 . 1 1 26 26 SER CA C 13 57.579 0.100 . 1 . . . A 544 SER CA . 18464 1 192 . 1 1 26 26 SER CB C 13 63.680 0.100 . 1 . . . A 544 SER CB . 18464 1 193 . 1 1 26 26 SER N N 15 108.983 0.100 . 1 . . . A 544 SER N . 18464 1 194 . 1 1 27 27 ILE H H 1 7.560 0.010 . 1 . . . A 545 ILE H . 18464 1 195 . 1 1 27 27 ILE HA H 1 3.970 0.010 . 1 . . . A 545 ILE HA . 18464 1 196 . 1 1 27 27 ILE HB H 1 2.155 0.010 . 1 . . . A 545 ILE HB . 18464 1 197 . 1 1 27 27 ILE HG12 H 1 1.579 0.010 . 2 . . . A 545 ILE HG12 . 18464 1 198 . 1 1 27 27 ILE HG13 H 1 1.264 0.010 . 2 . . . A 545 ILE HG13 . 18464 1 199 . 1 1 27 27 ILE HG21 H 1 0.818 0.010 . 1 . . . A 545 ILE HG21 . 18464 1 200 . 1 1 27 27 ILE HG22 H 1 0.818 0.010 . 1 . . . A 545 ILE HG22 . 18464 1 201 . 1 1 27 27 ILE HG23 H 1 0.818 0.010 . 1 . . . A 545 ILE HG23 . 18464 1 202 . 1 1 27 27 ILE HD11 H 1 1.010 0.010 . 1 . . . A 545 ILE HD11 . 18464 1 203 . 1 1 27 27 ILE HD12 H 1 1.010 0.010 . 1 . . . A 545 ILE HD12 . 18464 1 204 . 1 1 27 27 ILE HD13 H 1 1.010 0.010 . 1 . . . A 545 ILE HD13 . 18464 1 205 . 1 1 27 27 ILE C C 13 174.330 0.100 . 1 . . . A 545 ILE C . 18464 1 206 . 1 1 27 27 ILE CA C 13 63.143 0.100 . 1 . . . A 545 ILE CA . 18464 1 207 . 1 1 27 27 ILE CB C 13 39.126 0.100 . 1 . . . A 545 ILE CB . 18464 1 208 . 1 1 27 27 ILE CG1 C 13 29.150 0.100 . 1 . . . A 545 ILE CG1 . 18464 1 209 . 1 1 27 27 ILE CG2 C 13 17.776 0.100 . 1 . . . A 545 ILE CG2 . 18464 1 210 . 1 1 27 27 ILE CD1 C 13 14.702 0.100 . 1 . . . A 545 ILE CD1 . 18464 1 211 . 1 1 27 27 ILE N N 15 121.625 0.100 . 1 . . . A 545 ILE N . 18464 1 212 . 1 1 28 28 GLY H H 1 8.632 0.010 . 1 . . . A 546 GLY H . 18464 1 213 . 1 1 28 28 GLY HA2 H 1 4.335 0.010 . 2 . . . A 546 GLY HA2 . 18464 1 214 . 1 1 28 28 GLY HA3 H 1 3.454 0.010 . 2 . . . A 546 GLY HA3 . 18464 1 215 . 1 1 28 28 GLY C C 13 172.439 0.100 . 1 . . . A 546 GLY C . 18464 1 216 . 1 1 28 28 GLY CA C 13 46.135 0.100 . 1 . . . A 546 GLY CA . 18464 1 217 . 1 1 28 28 GLY N N 15 112.886 0.100 . 1 . . . A 546 GLY N . 18464 1 218 . 1 1 29 29 VAL H H 1 7.926 0.010 . 1 . . . A 547 VAL H . 18464 1 219 . 1 1 29 29 VAL HA H 1 4.495 0.010 . 1 . . . A 547 VAL HA . 18464 1 220 . 1 1 29 29 VAL HB H 1 1.946 0.010 . 1 . . . A 547 VAL HB . 18464 1 221 . 1 1 29 29 VAL HG11 H 1 0.919 0.010 . 2 . . . A 547 VAL HG11 . 18464 1 222 . 1 1 29 29 VAL HG12 H 1 0.919 0.010 . 2 . . . A 547 VAL HG12 . 18464 1 223 . 1 1 29 29 VAL HG13 H 1 0.919 0.010 . 2 . . . A 547 VAL HG13 . 18464 1 224 . 1 1 29 29 VAL HG21 H 1 0.782 0.010 . 2 . . . A 547 VAL HG21 . 18464 1 225 . 1 1 29 29 VAL HG22 H 1 0.782 0.010 . 2 . . . A 547 VAL HG22 . 18464 1 226 . 1 1 29 29 VAL HG23 H 1 0.782 0.010 . 2 . . . A 547 VAL HG23 . 18464 1 227 . 1 1 29 29 VAL C C 13 175.111 0.100 . 1 . . . A 547 VAL C . 18464 1 228 . 1 1 29 29 VAL CA C 13 61.410 0.100 . 1 . . . A 547 VAL CA . 18464 1 229 . 1 1 29 29 VAL CB C 13 33.597 0.100 . 1 . . . A 547 VAL CB . 18464 1 230 . 1 1 29 29 VAL CG1 C 13 21.589 0.100 . 2 . . . A 547 VAL CG1 . 18464 1 231 . 1 1 29 29 VAL CG2 C 13 21.589 0.100 . 2 . . . A 547 VAL CG2 . 18464 1 232 . 1 1 29 29 VAL N N 15 125.744 0.100 . 1 . . . A 547 VAL N . 18464 1 233 . 1 1 30 30 MET H H 1 9.067 0.010 . 1 . . . A 548 MET H . 18464 1 234 . 1 1 30 30 MET HA H 1 4.572 0.010 . 1 . . . A 548 MET HA . 18464 1 235 . 1 1 30 30 MET HB2 H 1 2.015 0.010 . 2 . . . A 548 MET HB2 . 18464 1 236 . 1 1 30 30 MET HB3 H 1 2.015 0.010 . 2 . . . A 548 MET HB3 . 18464 1 237 . 1 1 30 30 MET HG2 H 1 2.548 0.010 . 2 . . . A 548 MET HG2 . 18464 1 238 . 1 1 30 30 MET HG3 H 1 2.334 0.010 . 2 . . . A 548 MET HG3 . 18464 1 239 . 1 1 30 30 MET HE1 H 1 1.715 0.010 . 1 . . . A 548 MET HE1 . 18464 1 240 . 1 1 30 30 MET HE2 H 1 1.715 0.010 . 1 . . . A 548 MET HE2 . 18464 1 241 . 1 1 30 30 MET HE3 H 1 1.715 0.010 . 1 . . . A 548 MET HE3 . 18464 1 242 . 1 1 30 30 MET C C 13 173.606 0.100 . 1 . . . A 548 MET C . 18464 1 243 . 1 1 30 30 MET CA C 13 54.344 0.100 . 1 . . . A 548 MET CA . 18464 1 244 . 1 1 30 30 MET CB C 13 35.116 0.100 . 1 . . . A 548 MET CB . 18464 1 245 . 1 1 30 30 MET CG C 13 31.418 0.100 . 1 . . . A 548 MET CG . 18464 1 246 . 1 1 30 30 MET CE C 13 17.478 0.100 . 1 . . . A 548 MET CE . 18464 1 247 . 1 1 30 30 MET N N 15 127.617 0.100 . 1 . . . A 548 MET N . 18464 1 248 . 1 1 31 31 GLU H H 1 8.456 0.010 . 1 . . . A 549 GLU H . 18464 1 249 . 1 1 31 31 GLU HA H 1 5.275 0.010 . 1 . . . A 549 GLU HA . 18464 1 250 . 1 1 31 31 GLU HB2 H 1 1.880 0.010 . 2 . . . A 549 GLU HB2 . 18464 1 251 . 1 1 31 31 GLU HB3 H 1 1.825 0.010 . 2 . . . A 549 GLU HB3 . 18464 1 252 . 1 1 31 31 GLU HG2 H 1 2.105 0.010 . 2 . . . A 549 GLU HG2 . 18464 1 253 . 1 1 31 31 GLU HG3 H 1 1.942 0.010 . 2 . . . A 549 GLU HG3 . 18464 1 254 . 1 1 31 31 GLU C C 13 175.567 0.100 . 1 . . . A 549 GLU C . 18464 1 255 . 1 1 31 31 GLU CA C 13 55.009 0.100 . 1 . . . A 549 GLU CA . 18464 1 256 . 1 1 31 31 GLU CB C 13 32.791 0.100 . 1 . . . A 549 GLU CB . 18464 1 257 . 1 1 31 31 GLU CG C 13 37.488 0.100 . 1 . . . A 549 GLU CG . 18464 1 258 . 1 1 31 31 GLU N N 15 123.813 0.100 . 1 . . . A 549 GLU N . 18464 1 259 . 1 1 32 32 VAL H H 1 8.906 0.010 . 1 . . . A 550 VAL H . 18464 1 260 . 1 1 32 32 VAL HA H 1 4.574 0.010 . 1 . . . A 550 VAL HA . 18464 1 261 . 1 1 32 32 VAL HB H 1 2.026 0.010 . 1 . . . A 550 VAL HB . 18464 1 262 . 1 1 32 32 VAL HG11 H 1 0.790 0.010 . 2 . . . A 550 VAL HG11 . 18464 1 263 . 1 1 32 32 VAL HG12 H 1 0.790 0.010 . 2 . . . A 550 VAL HG12 . 18464 1 264 . 1 1 32 32 VAL HG13 H 1 0.790 0.010 . 2 . . . A 550 VAL HG13 . 18464 1 265 . 1 1 32 32 VAL HG21 H 1 0.766 0.010 . 2 . . . A 550 VAL HG21 . 18464 1 266 . 1 1 32 32 VAL HG22 H 1 0.766 0.010 . 2 . . . A 550 VAL HG22 . 18464 1 267 . 1 1 32 32 VAL HG23 H 1 0.766 0.010 . 2 . . . A 550 VAL HG23 . 18464 1 268 . 1 1 32 32 VAL C C 13 174.302 0.100 . 1 . . . A 550 VAL C . 18464 1 269 . 1 1 32 32 VAL CA C 13 59.507 0.100 . 1 . . . A 550 VAL CA . 18464 1 270 . 1 1 32 32 VAL CB C 13 35.123 0.100 . 1 . . . A 550 VAL CB . 18464 1 271 . 1 1 32 32 VAL CG1 C 13 22.294 0.100 . 2 . . . A 550 VAL CG1 . 18464 1 272 . 1 1 32 32 VAL CG2 C 13 19.945 0.100 . 2 . . . A 550 VAL CG2 . 18464 1 273 . 1 1 32 32 VAL N N 15 120.851 0.100 . 1 . . . A 550 VAL N . 18464 1 274 . 1 1 33 33 LYS H H 1 8.570 0.010 . 1 . . . A 551 LYS H . 18464 1 275 . 1 1 33 33 LYS HA H 1 4.705 0.010 . 1 . . . A 551 LYS HA . 18464 1 276 . 1 1 33 33 LYS C C 13 175.710 0.100 . 1 . . . A 551 LYS C . 18464 1 277 . 1 1 33 33 LYS CA C 13 56.476 0.100 . 1 . . . A 551 LYS CA . 18464 1 278 . 1 1 33 33 LYS CB C 13 34.874 0.100 . 1 . . . A 551 LYS CB . 18464 1 279 . 1 1 33 33 LYS N N 15 121.748 0.100 . 1 . . . A 551 LYS N . 18464 1 280 . 1 1 34 34 VAL H H 1 8.920 0.010 . 1 . . . A 552 VAL H . 18464 1 281 . 1 1 34 34 VAL HA H 1 4.013 0.010 . 1 . . . A 552 VAL HA . 18464 1 282 . 1 1 34 34 VAL HB H 1 1.847 0.010 . 1 . . . A 552 VAL HB . 18464 1 283 . 1 1 34 34 VAL HG11 H 1 0.557 0.010 . 2 . . . A 552 VAL HG11 . 18464 1 284 . 1 1 34 34 VAL HG12 H 1 0.557 0.010 . 2 . . . A 552 VAL HG12 . 18464 1 285 . 1 1 34 34 VAL HG13 H 1 0.557 0.010 . 2 . . . A 552 VAL HG13 . 18464 1 286 . 1 1 34 34 VAL HG21 H 1 0.743 0.010 . 2 . . . A 552 VAL HG21 . 18464 1 287 . 1 1 34 34 VAL HG22 H 1 0.743 0.010 . 2 . . . A 552 VAL HG22 . 18464 1 288 . 1 1 34 34 VAL HG23 H 1 0.743 0.010 . 2 . . . A 552 VAL HG23 . 18464 1 289 . 1 1 34 34 VAL C C 13 174.213 0.100 . 1 . . . A 552 VAL C . 18464 1 290 . 1 1 34 34 VAL CA C 13 62.624 0.100 . 1 . . . A 552 VAL CA . 18464 1 291 . 1 1 34 34 VAL CB C 13 33.168 0.100 . 1 . . . A 552 VAL CB . 18464 1 292 . 1 1 34 34 VAL CG1 C 13 22.402 0.100 . 2 . . . A 552 VAL CG1 . 18464 1 293 . 1 1 34 34 VAL CG2 C 13 21.364 0.100 . 2 . . . A 552 VAL CG2 . 18464 1 294 . 1 1 34 34 VAL N N 15 121.485 0.100 . 1 . . . A 552 VAL N . 18464 1 295 . 1 1 35 35 LEU H H 1 8.844 0.010 . 1 . . . A 553 LEU H . 18464 1 296 . 1 1 35 35 LEU HA H 1 4.882 0.010 . 1 . . . A 553 LEU HA . 18464 1 297 . 1 1 35 35 LEU HB2 H 1 1.735 0.010 . 2 . . . A 553 LEU HB2 . 18464 1 298 . 1 1 35 35 LEU HB3 H 1 1.401 0.010 . 2 . . . A 553 LEU HB3 . 18464 1 299 . 1 1 35 35 LEU HG H 1 1.695 0.010 . 1 . . . A 553 LEU HG . 18464 1 300 . 1 1 35 35 LEU HD11 H 1 0.914 0.010 . 2 . . . A 553 LEU HD11 . 18464 1 301 . 1 1 35 35 LEU HD12 H 1 0.914 0.010 . 2 . . . A 553 LEU HD12 . 18464 1 302 . 1 1 35 35 LEU HD13 H 1 0.914 0.010 . 2 . . . A 553 LEU HD13 . 18464 1 303 . 1 1 35 35 LEU HD21 H 1 0.914 0.010 . 2 . . . A 553 LEU HD21 . 18464 1 304 . 1 1 35 35 LEU HD22 H 1 0.914 0.010 . 2 . . . A 553 LEU HD22 . 18464 1 305 . 1 1 35 35 LEU HD23 H 1 0.914 0.010 . 2 . . . A 553 LEU HD23 . 18464 1 306 . 1 1 35 35 LEU C C 13 174.656 0.100 . 1 . . . A 553 LEU C . 18464 1 307 . 1 1 35 35 LEU CA C 13 53.946 0.100 . 1 . . . A 553 LEU CA . 18464 1 308 . 1 1 35 35 LEU CB C 13 43.713 0.100 . 1 . . . A 553 LEU CB . 18464 1 309 . 1 1 35 35 LEU CG C 13 27.664 0.100 . 1 . . . A 553 LEU CG . 18464 1 310 . 1 1 35 35 LEU CD1 C 13 23.532 0.100 . 2 . . . A 553 LEU CD1 . 18464 1 311 . 1 1 35 35 LEU CD2 C 13 25.511 0.100 . 2 . . . A 553 LEU CD2 . 18464 1 312 . 1 1 35 35 LEU N N 15 125.296 0.100 . 1 . . . A 553 LEU N . 18464 1 313 . 1 1 36 36 ARG H H 1 8.135 0.010 . 1 . . . A 554 ARG H . 18464 1 314 . 1 1 36 36 ARG HA H 1 3.797 0.010 . 1 . . . A 554 ARG HA . 18464 1 315 . 1 1 36 36 ARG HB2 H 1 1.760 0.010 . 2 . . . A 554 ARG HB2 . 18464 1 316 . 1 1 36 36 ARG HB3 H 1 0.763 0.010 . 2 . . . A 554 ARG HB3 . 18464 1 317 . 1 1 36 36 ARG HG2 H 1 1.489 0.010 . 2 . . . A 554 ARG HG2 . 18464 1 318 . 1 1 36 36 ARG HG3 H 1 0.103 0.010 . 2 . . . A 554 ARG HG3 . 18464 1 319 . 1 1 36 36 ARG HD2 H 1 3.493 0.010 . 2 . . . A 554 ARG HD2 . 18464 1 320 . 1 1 36 36 ARG HD3 H 1 2.700 0.010 . 2 . . . A 554 ARG HD3 . 18464 1 321 . 1 1 36 36 ARG C C 13 175.732 0.100 . 1 . . . A 554 ARG C . 18464 1 322 . 1 1 36 36 ARG CA C 13 53.663 0.100 . 1 . . . A 554 ARG CA . 18464 1 323 . 1 1 36 36 ARG CB C 13 33.848 0.100 . 1 . . . A 554 ARG CB . 18464 1 324 . 1 1 36 36 ARG CG C 13 24.450 0.100 . 1 . . . A 554 ARG CG . 18464 1 325 . 1 1 36 36 ARG CD C 13 45.845 0.100 . 1 . . . A 554 ARG CD . 18464 1 326 . 1 1 36 36 ARG N N 15 122.811 0.100 . 1 . . . A 554 ARG N . 18464 1 327 . 1 1 37 37 THR H H 1 8.911 0.010 . 1 . . . A 555 THR H . 18464 1 328 . 1 1 37 37 THR HA H 1 4.679 0.010 . 1 . . . A 555 THR HA . 18464 1 329 . 1 1 37 37 THR HB H 1 4.217 0.010 . 1 . . . A 555 THR HB . 18464 1 330 . 1 1 37 37 THR HG21 H 1 1.041 0.010 . 1 . . . A 555 THR HG21 . 18464 1 331 . 1 1 37 37 THR HG22 H 1 1.041 0.010 . 1 . . . A 555 THR HG22 . 18464 1 332 . 1 1 37 37 THR HG23 H 1 1.041 0.010 . 1 . . . A 555 THR HG23 . 18464 1 333 . 1 1 37 37 THR C C 13 174.418 0.100 . 1 . . . A 555 THR C . 18464 1 334 . 1 1 37 37 THR CA C 13 60.086 0.100 . 1 . . . A 555 THR CA . 18464 1 335 . 1 1 37 37 THR CB C 13 71.330 0.100 . 1 . . . A 555 THR CB . 18464 1 336 . 1 1 37 37 THR CG2 C 13 21.267 0.100 . 1 . . . A 555 THR CG2 . 18464 1 337 . 1 1 37 37 THR N N 15 118.980 0.100 . 1 . . . A 555 THR N . 18464 1 338 . 1 1 38 38 SER H H 1 8.661 0.010 . 1 . . . A 556 SER H . 18464 1 339 . 1 1 38 38 SER HA H 1 3.751 0.010 . 1 . . . A 556 SER HA . 18464 1 340 . 1 1 38 38 SER C C 13 174.080 0.100 . 1 . . . A 556 SER C . 18464 1 341 . 1 1 38 38 SER CA C 13 62.080 0.100 . 1 . . . A 556 SER CA . 18464 1 342 . 1 1 38 38 SER N N 15 112.158 0.100 . 1 . . . A 556 SER N . 18464 1 343 . 1 1 39 39 GLY H H 1 7.715 0.010 . 1 . . . A 557 GLY H . 18464 1 344 . 1 1 39 39 GLY HA2 H 1 4.133 0.010 . 2 . . . A 557 GLY HA2 . 18464 1 345 . 1 1 39 39 GLY HA3 H 1 3.801 0.010 . 2 . . . A 557 GLY HA3 . 18464 1 346 . 1 1 39 39 GLY C C 13 171.501 0.100 . 1 . . . A 557 GLY C . 18464 1 347 . 1 1 39 39 GLY CA C 13 45.598 0.100 . 1 . . . A 557 GLY CA . 18464 1 348 . 1 1 39 39 GLY N N 15 108.479 0.100 . 1 . . . A 557 GLY N . 18464 1 349 . 1 1 40 40 ALA H H 1 8.037 0.010 . 1 . . . A 558 ALA H . 18464 1 350 . 1 1 40 40 ALA HA H 1 4.567 0.010 . 1 . . . A 558 ALA HA . 18464 1 351 . 1 1 40 40 ALA HB1 H 1 1.118 0.010 . 1 . . . A 558 ALA HB1 . 18464 1 352 . 1 1 40 40 ALA HB2 H 1 1.118 0.010 . 1 . . . A 558 ALA HB2 . 18464 1 353 . 1 1 40 40 ALA HB3 H 1 1.118 0.010 . 1 . . . A 558 ALA HB3 . 18464 1 354 . 1 1 40 40 ALA C C 13 176.241 0.100 . 1 . . . A 558 ALA C . 18464 1 355 . 1 1 40 40 ALA CA C 13 49.870 0.100 . 1 . . . A 558 ALA CA . 18464 1 356 . 1 1 40 40 ALA CB C 13 19.889 0.100 . 1 . . . A 558 ALA CB . 18464 1 357 . 1 1 40 40 ALA N N 15 121.977 0.100 . 1 . . . A 558 ALA N . 18464 1 358 . 1 1 41 41 ARG H H 1 8.056 0.010 . 1 . . . A 559 ARG H . 18464 1 359 . 1 1 41 41 ARG HA H 1 4.445 0.010 . 1 . . . A 559 ARG HA . 18464 1 360 . 1 1 41 41 ARG HB2 H 1 1.674 0.010 . 2 . . . A 559 ARG HB2 . 18464 1 361 . 1 1 41 41 ARG HB3 H 1 1.614 0.010 . 2 . . . A 559 ARG HB3 . 18464 1 362 . 1 1 41 41 ARG HG2 H 1 1.674 0.010 . 2 . . . A 559 ARG HG2 . 18464 1 363 . 1 1 41 41 ARG HG3 H 1 1.674 0.010 . 2 . . . A 559 ARG HG3 . 18464 1 364 . 1 1 41 41 ARG C C 13 176.962 0.100 . 1 . . . A 559 ARG C . 18464 1 365 . 1 1 41 41 ARG CA C 13 56.574 0.100 . 1 . . . A 559 ARG CA . 18464 1 366 . 1 1 41 41 ARG CB C 13 30.524 0.100 . 1 . . . A 559 ARG CB . 18464 1 367 . 1 1 41 41 ARG CG C 13 27.369 0.100 . 1 . . . A 559 ARG CG . 18464 1 368 . 1 1 41 41 ARG N N 15 119.461 0.100 . 1 . . . A 559 ARG N . 18464 1 369 . 1 1 42 42 GLY H H 1 9.305 0.010 . 1 . . . A 560 GLY H . 18464 1 370 . 1 1 42 42 GLY HA2 H 1 4.442 0.010 . 2 . . . A 560 GLY HA2 . 18464 1 371 . 1 1 42 42 GLY HA3 H 1 3.954 0.010 . 2 . . . A 560 GLY HA3 . 18464 1 372 . 1 1 42 42 GLY C C 13 173.239 0.100 . 1 . . . A 560 GLY C . 18464 1 373 . 1 1 42 42 GLY CA C 13 44.755 0.100 . 1 . . . A 560 GLY CA . 18464 1 374 . 1 1 42 42 GLY N N 15 114.916 0.100 . 1 . . . A 560 GLY N . 18464 1 375 . 1 1 43 43 THR H H 1 8.751 0.010 . 1 . . . A 561 THR H . 18464 1 376 . 1 1 43 43 THR HA H 1 5.802 0.010 . 1 . . . A 561 THR HA . 18464 1 377 . 1 1 43 43 THR HB H 1 4.074 0.010 . 1 . . . A 561 THR HB . 18464 1 378 . 1 1 43 43 THR HG21 H 1 1.221 0.010 . 1 . . . A 561 THR HG21 . 18464 1 379 . 1 1 43 43 THR HG22 H 1 1.221 0.010 . 1 . . . A 561 THR HG22 . 18464 1 380 . 1 1 43 43 THR HG23 H 1 1.221 0.010 . 1 . . . A 561 THR HG23 . 18464 1 381 . 1 1 43 43 THR C C 13 174.797 0.100 . 1 . . . A 561 THR C . 18464 1 382 . 1 1 43 43 THR CA C 13 61.473 0.100 . 1 . . . A 561 THR CA . 18464 1 383 . 1 1 43 43 THR CB C 13 69.910 0.100 . 1 . . . A 561 THR CB . 18464 1 384 . 1 1 43 43 THR CG2 C 13 22.409 0.100 . 1 . . . A 561 THR CG2 . 18464 1 385 . 1 1 43 43 THR N N 15 116.156 0.100 . 1 . . . A 561 THR N . 18464 1 386 . 1 1 44 44 VAL H H 1 9.577 0.010 . 1 . . . A 562 VAL H . 18464 1 387 . 1 1 44 44 VAL HA H 1 4.983 0.010 . 1 . . . A 562 VAL HA . 18464 1 388 . 1 1 44 44 VAL HB H 1 1.699 0.010 . 1 . . . A 562 VAL HB . 18464 1 389 . 1 1 44 44 VAL HG11 H 1 0.999 0.010 . 2 . . . A 562 VAL HG11 . 18464 1 390 . 1 1 44 44 VAL HG12 H 1 0.999 0.010 . 2 . . . A 562 VAL HG12 . 18464 1 391 . 1 1 44 44 VAL HG13 H 1 0.999 0.010 . 2 . . . A 562 VAL HG13 . 18464 1 392 . 1 1 44 44 VAL HG21 H 1 0.442 0.010 . 2 . . . A 562 VAL HG21 . 18464 1 393 . 1 1 44 44 VAL HG22 H 1 0.442 0.010 . 2 . . . A 562 VAL HG22 . 18464 1 394 . 1 1 44 44 VAL HG23 H 1 0.442 0.010 . 2 . . . A 562 VAL HG23 . 18464 1 395 . 1 1 44 44 VAL C C 13 174.086 0.100 . 1 . . . A 562 VAL C . 18464 1 396 . 1 1 44 44 VAL CA C 13 60.297 0.100 . 1 . . . A 562 VAL CA . 18464 1 397 . 1 1 44 44 VAL CB C 13 36.488 0.100 . 1 . . . A 562 VAL CB . 18464 1 398 . 1 1 44 44 VAL CG1 C 13 22.976 0.100 . 2 . . . A 562 VAL CG1 . 18464 1 399 . 1 1 44 44 VAL CG2 C 13 22.976 0.100 . 2 . . . A 562 VAL CG2 . 18464 1 400 . 1 1 44 44 VAL N N 15 128.765 0.100 . 1 . . . A 562 VAL N . 18464 1 401 . 1 1 45 45 ILE H H 1 8.845 0.010 . 1 . . . A 563 ILE H . 18464 1 402 . 1 1 45 45 ILE HA H 1 5.269 0.010 . 1 . . . A 563 ILE HA . 18464 1 403 . 1 1 45 45 ILE HB H 1 1.822 0.010 . 1 . . . A 563 ILE HB . 18464 1 404 . 1 1 45 45 ILE HG12 H 1 1.585 0.010 . 2 . . . A 563 ILE HG12 . 18464 1 405 . 1 1 45 45 ILE HG13 H 1 1.289 0.010 . 2 . . . A 563 ILE HG13 . 18464 1 406 . 1 1 45 45 ILE HG21 H 1 0.801 0.010 . 1 . . . A 563 ILE HG21 . 18464 1 407 . 1 1 45 45 ILE HG22 H 1 0.801 0.010 . 1 . . . A 563 ILE HG22 . 18464 1 408 . 1 1 45 45 ILE HG23 H 1 0.801 0.010 . 1 . . . A 563 ILE HG23 . 18464 1 409 . 1 1 45 45 ILE HD11 H 1 0.897 0.010 . 1 . . . A 563 ILE HD11 . 18464 1 410 . 1 1 45 45 ILE HD12 H 1 0.897 0.010 . 1 . . . A 563 ILE HD12 . 18464 1 411 . 1 1 45 45 ILE HD13 H 1 0.897 0.010 . 1 . . . A 563 ILE HD13 . 18464 1 412 . 1 1 45 45 ILE C C 13 175.626 0.100 . 1 . . . A 563 ILE C . 18464 1 413 . 1 1 45 45 ILE CA C 13 58.481 0.100 . 1 . . . A 563 ILE CA . 18464 1 414 . 1 1 45 45 ILE CB C 13 39.476 0.100 . 1 . . . A 563 ILE CB . 18464 1 415 . 1 1 45 45 ILE CG1 C 13 28.166 0.100 . 1 . . . A 563 ILE CG1 . 18464 1 416 . 1 1 45 45 ILE CG2 C 13 18.084 0.100 . 1 . . . A 563 ILE CG2 . 18464 1 417 . 1 1 45 45 ILE CD1 C 13 12.018 0.100 . 1 . . . A 563 ILE CD1 . 18464 1 418 . 1 1 45 45 ILE N N 15 126.678 0.100 . 1 . . . A 563 ILE N . 18464 1 419 . 1 1 46 46 VAL H H 1 9.327 0.010 . 1 . . . A 564 VAL H . 18464 1 420 . 1 1 46 46 VAL HA H 1 4.415 0.010 . 1 . . . A 564 VAL HA . 18464 1 421 . 1 1 46 46 VAL HB H 1 2.027 0.010 . 1 . . . A 564 VAL HB . 18464 1 422 . 1 1 46 46 VAL HG11 H 1 0.873 0.010 . 2 . . . A 564 VAL HG11 . 18464 1 423 . 1 1 46 46 VAL HG12 H 1 0.873 0.010 . 2 . . . A 564 VAL HG12 . 18464 1 424 . 1 1 46 46 VAL HG13 H 1 0.873 0.010 . 2 . . . A 564 VAL HG13 . 18464 1 425 . 1 1 46 46 VAL HG21 H 1 -0.003 0.010 . 2 . . . A 564 VAL HG21 . 18464 1 426 . 1 1 46 46 VAL HG22 H 1 -0.003 0.010 . 2 . . . A 564 VAL HG22 . 18464 1 427 . 1 1 46 46 VAL HG23 H 1 -0.003 0.010 . 2 . . . A 564 VAL HG23 . 18464 1 428 . 1 1 46 46 VAL CA C 13 59.018 0.100 . 1 . . . A 564 VAL CA . 18464 1 429 . 1 1 46 46 VAL CB C 13 34.655 0.100 . 1 . . . A 564 VAL CB . 18464 1 430 . 1 1 46 46 VAL CG1 C 13 21.908 0.100 . 2 . . . A 564 VAL CG1 . 18464 1 431 . 1 1 46 46 VAL CG2 C 13 21.489 0.100 . 2 . . . A 564 VAL CG2 . 18464 1 432 . 1 1 46 46 VAL N N 15 127.918 0.100 . 1 . . . A 564 VAL N . 18464 1 433 . 1 1 47 47 PRO HA H 1 5.206 0.010 . 1 . . . A 565 PRO HA . 18464 1 434 . 1 1 47 47 PRO HB2 H 1 1.850 0.010 . 2 . . . A 565 PRO HB2 . 18464 1 435 . 1 1 47 47 PRO HB3 H 1 2.579 0.010 . 2 . . . A 565 PRO HB3 . 18464 1 436 . 1 1 47 47 PRO HG2 H 1 2.085 0.010 . 2 . . . A 565 PRO HG2 . 18464 1 437 . 1 1 47 47 PRO HG3 H 1 1.980 0.010 . 2 . . . A 565 PRO HG3 . 18464 1 438 . 1 1 47 47 PRO HD2 H 1 3.863 0.010 . 2 . . . A 565 PRO HD2 . 18464 1 439 . 1 1 47 47 PRO HD3 H 1 3.269 0.010 . 2 . . . A 565 PRO HD3 . 18464 1 440 . 1 1 47 47 PRO C C 13 175.686 0.100 . 1 . . . A 565 PRO C . 18464 1 441 . 1 1 47 47 PRO CA C 13 62.115 0.100 . 1 . . . A 565 PRO CA . 18464 1 442 . 1 1 47 47 PRO CB C 13 33.384 0.100 . 1 . . . A 565 PRO CB . 18464 1 443 . 1 1 47 47 PRO CG C 13 27.805 0.100 . 1 . . . A 565 PRO CG . 18464 1 444 . 1 1 47 47 PRO CD C 13 51.971 0.100 . 1 . . . A 565 PRO CD . 18464 1 445 . 1 1 48 48 PHE H H 1 8.494 0.010 . 1 . . . A 566 PHE H . 18464 1 446 . 1 1 48 48 PHE HA H 1 5.837 0.010 . 1 . . . A 566 PHE HA . 18464 1 447 . 1 1 48 48 PHE HB2 H 1 2.934 0.010 . 2 . . . A 566 PHE HB2 . 18464 1 448 . 1 1 48 48 PHE HB3 H 1 2.807 0.010 . 2 . . . A 566 PHE HB3 . 18464 1 449 . 1 1 48 48 PHE HD1 H 1 6.860 0.010 . 3 . . . A 566 PHE HD1 . 18464 1 450 . 1 1 48 48 PHE HD2 H 1 6.860 0.010 . 3 . . . A 566 PHE HD2 . 18464 1 451 . 1 1 48 48 PHE C C 13 173.985 0.100 . 1 . . . A 566 PHE C . 18464 1 452 . 1 1 48 48 PHE CA C 13 56.602 0.100 . 1 . . . A 566 PHE CA . 18464 1 453 . 1 1 48 48 PHE CB C 13 44.080 0.100 . 1 . . . A 566 PHE CB . 18464 1 454 . 1 1 48 48 PHE CD1 C 13 131.848 0.100 . 3 . . . A 566 PHE CD1 . 18464 1 455 . 1 1 48 48 PHE CD2 C 13 131.848 0.100 . 3 . . . A 566 PHE CD2 . 18464 1 456 . 1 1 48 48 PHE N N 15 115.589 0.100 . 1 . . . A 566 PHE N . 18464 1 457 . 1 1 49 49 ARG H H 1 8.608 0.010 . 1 . . . A 567 ARG H . 18464 1 458 . 1 1 49 49 ARG HA H 1 5.486 0.010 . 1 . . . A 567 ARG HA . 18464 1 459 . 1 1 49 49 ARG HB2 H 1 2.172 0.010 . 2 . . . A 567 ARG HB2 . 18464 1 460 . 1 1 49 49 ARG HB3 H 1 2.068 0.010 . 2 . . . A 567 ARG HB3 . 18464 1 461 . 1 1 49 49 ARG HG2 H 1 1.880 0.010 . 2 . . . A 567 ARG HG2 . 18464 1 462 . 1 1 49 49 ARG HG3 H 1 1.527 0.010 . 2 . . . A 567 ARG HG3 . 18464 1 463 . 1 1 49 49 ARG HD2 H 1 3.207 0.010 . 2 . . . A 567 ARG HD2 . 18464 1 464 . 1 1 49 49 ARG HD3 H 1 3.207 0.010 . 2 . . . A 567 ARG HD3 . 18464 1 465 . 1 1 49 49 ARG C C 13 175.280 0.100 . 1 . . . A 567 ARG C . 18464 1 466 . 1 1 49 49 ARG CA C 13 55.483 0.100 . 1 . . . A 567 ARG CA . 18464 1 467 . 1 1 49 49 ARG CB C 13 33.484 0.100 . 1 . . . A 567 ARG CB . 18464 1 468 . 1 1 49 49 ARG CG C 13 25.996 0.100 . 1 . . . A 567 ARG CG . 18464 1 469 . 1 1 49 49 ARG CD C 13 43.744 0.100 . 1 . . . A 567 ARG CD . 18464 1 470 . 1 1 49 49 ARG N N 15 115.601 0.100 . 1 . . . A 567 ARG N . 18464 1 471 . 1 1 50 50 THR H H 1 8.488 0.010 . 1 . . . A 568 THR H . 18464 1 472 . 1 1 50 50 THR HA H 1 5.511 0.010 . 1 . . . A 568 THR HA . 18464 1 473 . 1 1 50 50 THR HB H 1 4.560 0.010 . 1 . . . A 568 THR HB . 18464 1 474 . 1 1 50 50 THR HG21 H 1 1.595 0.010 . 1 . . . A 568 THR HG21 . 18464 1 475 . 1 1 50 50 THR HG22 H 1 1.595 0.010 . 1 . . . A 568 THR HG22 . 18464 1 476 . 1 1 50 50 THR HG23 H 1 1.595 0.010 . 1 . . . A 568 THR HG23 . 18464 1 477 . 1 1 50 50 THR C C 13 175.407 0.100 . 1 . . . A 568 THR C . 18464 1 478 . 1 1 50 50 THR CA C 13 60.831 0.100 . 1 . . . A 568 THR CA . 18464 1 479 . 1 1 50 50 THR CB C 13 71.329 0.100 . 1 . . . A 568 THR CB . 18464 1 480 . 1 1 50 50 THR CG2 C 13 23.528 0.100 . 1 . . . A 568 THR CG2 . 18464 1 481 . 1 1 50 50 THR N N 15 111.816 0.100 . 1 . . . A 568 THR N . 18464 1 482 . 1 1 51 51 VAL H H 1 9.386 0.010 . 1 . . . A 569 VAL H . 18464 1 483 . 1 1 51 51 VAL HA H 1 4.484 0.010 . 1 . . . A 569 VAL HA . 18464 1 484 . 1 1 51 51 VAL HB H 1 2.095 0.010 . 1 . . . A 569 VAL HB . 18464 1 485 . 1 1 51 51 VAL HG11 H 1 1.222 0.010 . 2 . . . A 569 VAL HG11 . 18464 1 486 . 1 1 51 51 VAL HG12 H 1 1.222 0.010 . 2 . . . A 569 VAL HG12 . 18464 1 487 . 1 1 51 51 VAL HG13 H 1 1.222 0.010 . 2 . . . A 569 VAL HG13 . 18464 1 488 . 1 1 51 51 VAL HG21 H 1 1.222 0.010 . 2 . . . A 569 VAL HG21 . 18464 1 489 . 1 1 51 51 VAL HG22 H 1 1.222 0.010 . 2 . . . A 569 VAL HG22 . 18464 1 490 . 1 1 51 51 VAL HG23 H 1 1.222 0.010 . 2 . . . A 569 VAL HG23 . 18464 1 491 . 1 1 51 51 VAL C C 13 176.060 0.100 . 1 . . . A 569 VAL C . 18464 1 492 . 1 1 51 51 VAL CA C 13 61.574 0.100 . 1 . . . A 569 VAL CA . 18464 1 493 . 1 1 51 51 VAL CB C 13 36.252 0.100 . 1 . . . A 569 VAL CB . 18464 1 494 . 1 1 51 51 VAL CG1 C 13 20.902 0.100 . 2 . . . A 569 VAL CG1 . 18464 1 495 . 1 1 51 51 VAL CG2 C 13 20.902 0.100 . 2 . . . A 569 VAL CG2 . 18464 1 496 . 1 1 51 51 VAL N N 15 122.594 0.100 . 1 . . . A 569 VAL N . 18464 1 497 . 1 1 52 52 GLU H H 1 9.057 0.010 . 1 . . . A 570 GLU H . 18464 1 498 . 1 1 52 52 GLU HA H 1 4.530 0.010 . 1 . . . A 570 GLU HA . 18464 1 499 . 1 1 52 52 GLU HB2 H 1 2.573 0.010 . 2 . . . A 570 GLU HB2 . 18464 1 500 . 1 1 52 52 GLU HB3 H 1 2.494 0.010 . 2 . . . A 570 GLU HB3 . 18464 1 501 . 1 1 52 52 GLU HG2 H 1 2.794 0.010 . 2 . . . A 570 GLU HG2 . 18464 1 502 . 1 1 52 52 GLU HG3 H 1 2.660 0.010 . 2 . . . A 570 GLU HG3 . 18464 1 503 . 1 1 52 52 GLU C C 13 176.554 0.100 . 1 . . . A 570 GLU C . 18464 1 504 . 1 1 52 52 GLU CA C 13 58.796 0.100 . 1 . . . A 570 GLU CA . 18464 1 505 . 1 1 52 52 GLU CB C 13 30.491 0.100 . 1 . . . A 570 GLU CB . 18464 1 506 . 1 1 52 52 GLU CG C 13 37.049 0.100 . 1 . . . A 570 GLU CG . 18464 1 507 . 1 1 52 52 GLU N N 15 125.308 0.100 . 1 . . . A 570 GLU N . 18464 1 508 . 1 1 53 53 GLY H H 1 7.712 0.010 . 1 . . . A 571 GLY H . 18464 1 509 . 1 1 53 53 GLY HA2 H 1 4.759 0.010 . 2 . . . A 571 GLY HA2 . 18464 1 510 . 1 1 53 53 GLY HA3 H 1 3.803 0.010 . 2 . . . A 571 GLY HA3 . 18464 1 511 . 1 1 53 53 GLY C C 13 175.080 0.100 . 1 . . . A 571 GLY C . 18464 1 512 . 1 1 53 53 GLY CA C 13 46.187 0.100 . 1 . . . A 571 GLY CA . 18464 1 513 . 1 1 53 53 GLY N N 15 112.019 0.100 . 1 . . . A 571 GLY N . 18464 1 514 . 1 1 54 54 THR H H 1 8.959 0.010 . 1 . . . A 572 THR H . 18464 1 515 . 1 1 54 54 THR HA H 1 4.365 0.010 . 1 . . . A 572 THR HA . 18464 1 516 . 1 1 54 54 THR HB H 1 4.524 0.010 . 1 . . . A 572 THR HB . 18464 1 517 . 1 1 54 54 THR HG21 H 1 1.466 0.010 . 1 . . . A 572 THR HG21 . 18464 1 518 . 1 1 54 54 THR HG22 H 1 1.466 0.010 . 1 . . . A 572 THR HG22 . 18464 1 519 . 1 1 54 54 THR HG23 H 1 1.466 0.010 . 1 . . . A 572 THR HG23 . 18464 1 520 . 1 1 54 54 THR C C 13 176.824 0.100 . 1 . . . A 572 THR C . 18464 1 521 . 1 1 54 54 THR CA C 13 63.722 0.100 . 1 . . . A 572 THR CA . 18464 1 522 . 1 1 54 54 THR CB C 13 69.515 0.100 . 1 . . . A 572 THR CB . 18464 1 523 . 1 1 54 54 THR CG2 C 13 23.616 0.100 . 1 . . . A 572 THR CG2 . 18464 1 524 . 1 1 54 54 THR N N 15 119.895 0.100 . 1 . . . A 572 THR N . 18464 1 525 . 1 1 55 55 ALA H H 1 9.537 0.010 . 1 . . . A 573 ALA H . 18464 1 526 . 1 1 55 55 ALA HA H 1 4.755 0.010 . 1 . . . A 573 ALA HA . 18464 1 527 . 1 1 55 55 ALA HB1 H 1 1.386 0.010 . 1 . . . A 573 ALA HB1 . 18464 1 528 . 1 1 55 55 ALA HB2 H 1 1.386 0.010 . 1 . . . A 573 ALA HB2 . 18464 1 529 . 1 1 55 55 ALA HB3 H 1 1.386 0.010 . 1 . . . A 573 ALA HB3 . 18464 1 530 . 1 1 55 55 ALA C C 13 176.378 0.100 . 1 . . . A 573 ALA C . 18464 1 531 . 1 1 55 55 ALA CA C 13 51.093 0.100 . 1 . . . A 573 ALA CA . 18464 1 532 . 1 1 55 55 ALA CB C 13 19.157 0.100 . 1 . . . A 573 ALA CB . 18464 1 533 . 1 1 55 55 ALA N N 15 125.682 0.100 . 1 . . . A 573 ALA N . 18464 1 534 . 1 1 56 56 LYS H H 1 9.681 0.010 . 1 . . . A 574 LYS H . 18464 1 535 . 1 1 56 56 LYS HA H 1 4.536 0.010 . 1 . . . A 574 LYS HA . 18464 1 536 . 1 1 56 56 LYS HG2 H 1 1.581 0.010 . 2 . . . A 574 LYS HG2 . 18464 1 537 . 1 1 56 56 LYS HG3 H 1 1.581 0.010 . 2 . . . A 574 LYS HG3 . 18464 1 538 . 1 1 56 56 LYS HD2 H 1 1.600 0.010 . 2 . . . A 574 LYS HD2 . 18464 1 539 . 1 1 56 56 LYS HD3 H 1 1.600 0.010 . 2 . . . A 574 LYS HD3 . 18464 1 540 . 1 1 56 56 LYS HE2 H 1 3.034 0.010 . 2 . . . A 574 LYS HE2 . 18464 1 541 . 1 1 56 56 LYS HE3 H 1 3.034 0.010 . 2 . . . A 574 LYS HE3 . 18464 1 542 . 1 1 56 56 LYS C C 13 176.900 0.100 . 1 . . . A 574 LYS C . 18464 1 543 . 1 1 56 56 LYS CA C 13 53.714 0.100 . 1 . . . A 574 LYS CA . 18464 1 544 . 1 1 56 56 LYS CB C 13 34.079 0.100 . 1 . . . A 574 LYS CB . 18464 1 545 . 1 1 56 56 LYS CG C 13 24.350 0.100 . 1 . . . A 574 LYS CG . 18464 1 546 . 1 1 56 56 LYS CD C 13 27.920 0.100 . 1 . . . A 574 LYS CD . 18464 1 547 . 1 1 56 56 LYS CE C 13 42.696 0.100 . 1 . . . A 574 LYS CE . 18464 1 548 . 1 1 56 56 LYS N N 15 121.739 0.100 . 1 . . . A 574 LYS N . 18464 1 549 . 1 1 57 57 GLY H H 1 9.328 0.010 . 1 . . . A 575 GLY H . 18464 1 550 . 1 1 57 57 GLY HA2 H 1 2.983 0.010 . 2 . . . A 575 GLY HA2 . 18464 1 551 . 1 1 57 57 GLY HA3 H 1 2.765 0.010 . 2 . . . A 575 GLY HA3 . 18464 1 552 . 1 1 57 57 GLY C C 13 177.301 0.100 . 1 . . . A 575 GLY C . 18464 1 553 . 1 1 57 57 GLY CA C 13 42.909 0.100 . 1 . . . A 575 GLY CA . 18464 1 554 . 1 1 57 57 GLY N N 15 112.121 0.100 . 1 . . . A 575 GLY N . 18464 1 555 . 1 1 58 58 GLY H H 1 9.250 0.010 . 1 . . . A 576 GLY H . 18464 1 556 . 1 1 58 58 GLY HA2 H 1 3.905 0.010 . 2 . . . A 576 GLY HA2 . 18464 1 557 . 1 1 58 58 GLY HA3 H 1 3.843 0.010 . 2 . . . A 576 GLY HA3 . 18464 1 558 . 1 1 58 58 GLY C C 13 175.524 0.100 . 1 . . . A 576 GLY C . 18464 1 559 . 1 1 58 58 GLY CA C 13 46.970 0.100 . 1 . . . A 576 GLY CA . 18464 1 560 . 1 1 58 58 GLY N N 15 111.344 0.100 . 1 . . . A 576 GLY N . 18464 1 561 . 1 1 59 59 GLY H H 1 7.980 0.010 . 1 . . . A 577 GLY H . 18464 1 562 . 1 1 59 59 GLY HA2 H 1 2.874 0.010 . 2 . . . A 577 GLY HA2 . 18464 1 563 . 1 1 59 59 GLY HA3 H 1 2.874 0.010 . 2 . . . A 577 GLY HA3 . 18464 1 564 . 1 1 59 59 GLY C C 13 173.186 0.100 . 1 . . . A 577 GLY C . 18464 1 565 . 1 1 59 59 GLY CA C 13 44.785 0.100 . 1 . . . A 577 GLY CA . 18464 1 566 . 1 1 59 59 GLY N N 15 104.364 0.100 . 1 . . . A 577 GLY N . 18464 1 567 . 1 1 60 60 GLU H H 1 7.230 0.010 . 1 . . . A 578 GLU H . 18464 1 568 . 1 1 60 60 GLU HA H 1 4.221 0.010 . 1 . . . A 578 GLU HA . 18464 1 569 . 1 1 60 60 GLU HB2 H 1 1.983 0.010 . 2 . . . A 578 GLU HB2 . 18464 1 570 . 1 1 60 60 GLU HB3 H 1 1.874 0.010 . 2 . . . A 578 GLU HB3 . 18464 1 571 . 1 1 60 60 GLU HG2 H 1 2.237 0.010 . 2 . . . A 578 GLU HG2 . 18464 1 572 . 1 1 60 60 GLU HG3 H 1 2.184 0.010 . 2 . . . A 578 GLU HG3 . 18464 1 573 . 1 1 60 60 GLU C C 13 175.506 0.100 . 1 . . . A 578 GLU C . 18464 1 574 . 1 1 60 60 GLU CA C 13 58.572 0.100 . 1 . . . A 578 GLU CA . 18464 1 575 . 1 1 60 60 GLU CB C 13 28.251 0.100 . 1 . . . A 578 GLU CB . 18464 1 576 . 1 1 60 60 GLU CG C 13 35.479 0.100 . 1 . . . A 578 GLU CG . 18464 1 577 . 1 1 60 60 GLU N N 15 121.636 0.100 . 1 . . . A 578 GLU N . 18464 1 578 . 1 1 61 61 ASP H H 1 8.645 0.010 . 1 . . . A 579 ASP H . 18464 1 579 . 1 1 61 61 ASP HA H 1 5.384 0.010 . 1 . . . A 579 ASP HA . 18464 1 580 . 1 1 61 61 ASP HB2 H 1 3.448 0.010 . 2 . . . A 579 ASP HB2 . 18464 1 581 . 1 1 61 61 ASP HB3 H 1 2.546 0.010 . 2 . . . A 579 ASP HB3 . 18464 1 582 . 1 1 61 61 ASP C C 13 176.690 0.100 . 1 . . . A 579 ASP C . 18464 1 583 . 1 1 61 61 ASP CA C 13 55.157 0.100 . 1 . . . A 579 ASP CA . 18464 1 584 . 1 1 61 61 ASP CB C 13 42.846 0.100 . 1 . . . A 579 ASP CB . 18464 1 585 . 1 1 61 61 ASP N N 15 111.867 0.100 . 1 . . . A 579 ASP N . 18464 1 586 . 1 1 62 62 PHE H H 1 7.630 0.010 . 1 . . . A 580 PHE H . 18464 1 587 . 1 1 62 62 PHE HA H 1 4.996 0.010 . 1 . . . A 580 PHE HA . 18464 1 588 . 1 1 62 62 PHE HB2 H 1 2.696 0.010 . 2 . . . A 580 PHE HB2 . 18464 1 589 . 1 1 62 62 PHE HB3 H 1 2.529 0.010 . 2 . . . A 580 PHE HB3 . 18464 1 590 . 1 1 62 62 PHE C C 13 173.037 0.100 . 1 . . . A 580 PHE C . 18464 1 591 . 1 1 62 62 PHE CA C 13 56.284 0.100 . 1 . . . A 580 PHE CA . 18464 1 592 . 1 1 62 62 PHE CB C 13 40.029 0.100 . 1 . . . A 580 PHE CB . 18464 1 593 . 1 1 62 62 PHE N N 15 116.532 0.100 . 1 . . . A 580 PHE N . 18464 1 594 . 1 1 63 63 GLU H H 1 8.297 0.010 . 1 . . . A 581 GLU H . 18464 1 595 . 1 1 63 63 GLU HA H 1 4.256 0.010 . 1 . . . A 581 GLU HA . 18464 1 596 . 1 1 63 63 GLU HB2 H 1 2.128 0.010 . 2 . . . A 581 GLU HB2 . 18464 1 597 . 1 1 63 63 GLU HB3 H 1 2.040 0.010 . 2 . . . A 581 GLU HB3 . 18464 1 598 . 1 1 63 63 GLU HG2 H 1 2.128 0.010 . 2 . . . A 581 GLU HG2 . 18464 1 599 . 1 1 63 63 GLU HG3 H 1 2.031 0.010 . 2 . . . A 581 GLU HG3 . 18464 1 600 . 1 1 63 63 GLU C C 13 175.507 0.100 . 1 . . . A 581 GLU C . 18464 1 601 . 1 1 63 63 GLU CA C 13 55.237 0.100 . 1 . . . A 581 GLU CA . 18464 1 602 . 1 1 63 63 GLU CB C 13 30.264 0.100 . 1 . . . A 581 GLU CB . 18464 1 603 . 1 1 63 63 GLU CG C 13 36.242 0.100 . 1 . . . A 581 GLU CG . 18464 1 604 . 1 1 63 63 GLU N N 15 119.916 0.100 . 1 . . . A 581 GLU N . 18464 1 605 . 1 1 64 64 ASP H H 1 8.353 0.010 . 1 . . . A 582 ASP H . 18464 1 606 . 1 1 64 64 ASP HA H 1 4.473 0.010 . 1 . . . A 582 ASP HA . 18464 1 607 . 1 1 64 64 ASP HB2 H 1 2.554 0.010 . 2 . . . A 582 ASP HB2 . 18464 1 608 . 1 1 64 64 ASP HB3 H 1 2.554 0.010 . 2 . . . A 582 ASP HB3 . 18464 1 609 . 1 1 64 64 ASP C C 13 175.392 0.100 . 1 . . . A 582 ASP C . 18464 1 610 . 1 1 64 64 ASP CA C 13 55.604 0.100 . 1 . . . A 582 ASP CA . 18464 1 611 . 1 1 64 64 ASP CB C 13 41.622 0.100 . 1 . . . A 582 ASP CB . 18464 1 612 . 1 1 64 64 ASP N N 15 124.005 0.100 . 1 . . . A 582 ASP N . 18464 1 613 . 1 1 65 65 ALA H H 1 8.657 0.010 . 1 . . . A 583 ALA H . 18464 1 614 . 1 1 65 65 ALA HA H 1 4.913 0.010 . 1 . . . A 583 ALA HA . 18464 1 615 . 1 1 65 65 ALA HB1 H 1 1.669 0.010 . 1 . . . A 583 ALA HB1 . 18464 1 616 . 1 1 65 65 ALA HB2 H 1 1.669 0.010 . 1 . . . A 583 ALA HB2 . 18464 1 617 . 1 1 65 65 ALA HB3 H 1 1.669 0.010 . 1 . . . A 583 ALA HB3 . 18464 1 618 . 1 1 65 65 ALA C C 13 174.334 0.100 . 1 . . . A 583 ALA C . 18464 1 619 . 1 1 65 65 ALA CA C 13 51.847 0.100 . 1 . . . A 583 ALA CA . 18464 1 620 . 1 1 65 65 ALA CB C 13 22.199 0.100 . 1 . . . A 583 ALA CB . 18464 1 621 . 1 1 65 65 ALA N N 15 124.597 0.100 . 1 . . . A 583 ALA N . 18464 1 622 . 1 1 66 66 TYR H H 1 7.913 0.010 . 1 . . . A 584 TYR H . 18464 1 623 . 1 1 66 66 TYR HA H 1 4.750 0.010 . 1 . . . A 584 TYR HA . 18464 1 624 . 1 1 66 66 TYR HB2 H 1 3.230 0.010 . 2 . . . A 584 TYR HB2 . 18464 1 625 . 1 1 66 66 TYR HB3 H 1 2.998 0.010 . 2 . . . A 584 TYR HB3 . 18464 1 626 . 1 1 66 66 TYR HD1 H 1 7.020 0.010 . 3 . . . A 584 TYR HD1 . 18464 1 627 . 1 1 66 66 TYR HD2 H 1 7.020 0.010 . 3 . . . A 584 TYR HD2 . 18464 1 628 . 1 1 66 66 TYR HE1 H 1 6.864 0.010 . 3 . . . A 584 TYR HE1 . 18464 1 629 . 1 1 66 66 TYR HE2 H 1 6.864 0.010 . 3 . . . A 584 TYR HE2 . 18464 1 630 . 1 1 66 66 TYR C C 13 174.440 0.100 . 1 . . . A 584 TYR C . 18464 1 631 . 1 1 66 66 TYR CA C 13 55.517 0.100 . 1 . . . A 584 TYR CA . 18464 1 632 . 1 1 66 66 TYR CB C 13 40.191 0.100 . 1 . . . A 584 TYR CB . 18464 1 633 . 1 1 66 66 TYR CD1 C 13 133.488 0.100 . 3 . . . A 584 TYR CD1 . 18464 1 634 . 1 1 66 66 TYR CD2 C 13 133.488 0.100 . 3 . . . A 584 TYR CD2 . 18464 1 635 . 1 1 66 66 TYR CE1 C 13 117.974 0.100 . 3 . . . A 584 TYR CE1 . 18464 1 636 . 1 1 66 66 TYR CE2 C 13 117.974 0.100 . 3 . . . A 584 TYR CE2 . 18464 1 637 . 1 1 66 66 TYR N N 15 118.797 0.100 . 1 . . . A 584 TYR N . 18464 1 638 . 1 1 67 67 GLY H H 1 7.101 0.010 . 1 . . . A 585 GLY H . 18464 1 639 . 1 1 67 67 GLY HA2 H 1 3.816 0.010 . 2 . . . A 585 GLY HA2 . 18464 1 640 . 1 1 67 67 GLY HA3 H 1 3.816 0.010 . 2 . . . A 585 GLY HA3 . 18464 1 641 . 1 1 67 67 GLY C C 13 171.312 0.100 . 1 . . . A 585 GLY C . 18464 1 642 . 1 1 67 67 GLY CA C 13 45.414 0.100 . 1 . . . A 585 GLY CA . 18464 1 643 . 1 1 67 67 GLY N N 15 107.684 0.100 . 1 . . . A 585 GLY N . 18464 1 644 . 1 1 68 68 GLU H H 1 8.472 0.010 . 1 . . . A 586 GLU H . 18464 1 645 . 1 1 68 68 GLU HA H 1 4.858 0.010 . 1 . . . A 586 GLU HA . 18464 1 646 . 1 1 68 68 GLU HB2 H 1 1.801 0.010 . 2 . . . A 586 GLU HB2 . 18464 1 647 . 1 1 68 68 GLU HB3 H 1 1.801 0.010 . 2 . . . A 586 GLU HB3 . 18464 1 648 . 1 1 68 68 GLU HG2 H 1 2.191 0.010 . 2 . . . A 586 GLU HG2 . 18464 1 649 . 1 1 68 68 GLU HG3 H 1 1.977 0.010 . 2 . . . A 586 GLU HG3 . 18464 1 650 . 1 1 68 68 GLU C C 13 175.356 0.100 . 1 . . . A 586 GLU C . 18464 1 651 . 1 1 68 68 GLU CA C 13 55.158 0.100 . 1 . . . A 586 GLU CA . 18464 1 652 . 1 1 68 68 GLU CB C 13 33.022 0.100 . 1 . . . A 586 GLU CB . 18464 1 653 . 1 1 68 68 GLU CG C 13 36.330 0.100 . 1 . . . A 586 GLU CG . 18464 1 654 . 1 1 68 68 GLU N N 15 119.311 0.100 . 1 . . . A 586 GLU N . 18464 1 655 . 1 1 69 69 LEU H H 1 8.963 0.010 . 1 . . . A 587 LEU H . 18464 1 656 . 1 1 69 69 LEU HA H 1 4.603 0.010 . 1 . . . A 587 LEU HA . 18464 1 657 . 1 1 69 69 LEU HB2 H 1 2.141 0.010 . 2 . . . A 587 LEU HB2 . 18464 1 658 . 1 1 69 69 LEU HB3 H 1 1.078 0.010 . 2 . . . A 587 LEU HB3 . 18464 1 659 . 1 1 69 69 LEU HG H 1 1.912 0.010 . 1 . . . A 587 LEU HG . 18464 1 660 . 1 1 69 69 LEU HD11 H 1 0.721 0.010 . 2 . . . A 587 LEU HD11 . 18464 1 661 . 1 1 69 69 LEU HD12 H 1 0.721 0.010 . 2 . . . A 587 LEU HD12 . 18464 1 662 . 1 1 69 69 LEU HD13 H 1 0.721 0.010 . 2 . . . A 587 LEU HD13 . 18464 1 663 . 1 1 69 69 LEU HD21 H 1 0.690 0.010 . 2 . . . A 587 LEU HD21 . 18464 1 664 . 1 1 69 69 LEU HD22 H 1 0.690 0.010 . 2 . . . A 587 LEU HD22 . 18464 1 665 . 1 1 69 69 LEU HD23 H 1 0.690 0.010 . 2 . . . A 587 LEU HD23 . 18464 1 666 . 1 1 69 69 LEU C C 13 175.087 0.100 . 1 . . . A 587 LEU C . 18464 1 667 . 1 1 69 69 LEU CA C 13 53.343 0.100 . 1 . . . A 587 LEU CA . 18464 1 668 . 1 1 69 69 LEU CB C 13 44.581 0.100 . 1 . . . A 587 LEU CB . 18464 1 669 . 1 1 69 69 LEU CD1 C 13 25.518 0.100 . 2 . . . A 587 LEU CD1 . 18464 1 670 . 1 1 69 69 LEU CD2 C 13 23.006 0.100 . 2 . . . A 587 LEU CD2 . 18464 1 671 . 1 1 69 69 LEU N N 15 124.179 0.100 . 1 . . . A 587 LEU N . 18464 1 672 . 1 1 70 70 GLU H H 1 8.740 0.010 . 1 . . . A 588 GLU H . 18464 1 673 . 1 1 70 70 GLU HA H 1 4.860 0.010 . 1 . . . A 588 GLU HA . 18464 1 674 . 1 1 70 70 GLU C C 13 174.493 0.100 . 1 . . . A 588 GLU C . 18464 1 675 . 1 1 70 70 GLU CA C 13 55.222 0.100 . 1 . . . A 588 GLU CA . 18464 1 676 . 1 1 70 70 GLU CB C 13 31.439 0.100 . 1 . . . A 588 GLU CB . 18464 1 677 . 1 1 70 70 GLU CG C 13 36.317 0.100 . 1 . . . A 588 GLU CG . 18464 1 678 . 1 1 70 70 GLU N N 15 125.384 0.100 . 1 . . . A 588 GLU N . 18464 1 679 . 1 1 71 71 PHE H H 1 9.476 0.010 . 1 . . . A 589 PHE H . 18464 1 680 . 1 1 71 71 PHE HA H 1 4.750 0.010 . 1 . . . A 589 PHE HA . 18464 1 681 . 1 1 71 71 PHE HB2 H 1 3.389 0.010 . 2 . . . A 589 PHE HB2 . 18464 1 682 . 1 1 71 71 PHE HB3 H 1 3.389 0.010 . 2 . . . A 589 PHE HB3 . 18464 1 683 . 1 1 71 71 PHE HD1 H 1 7.208 0.010 . 3 . . . A 589 PHE HD1 . 18464 1 684 . 1 1 71 71 PHE HD2 H 1 7.208 0.010 . 3 . . . A 589 PHE HD2 . 18464 1 685 . 1 1 71 71 PHE C C 13 175.073 0.100 . 1 . . . A 589 PHE C . 18464 1 686 . 1 1 71 71 PHE CA C 13 56.483 0.100 . 1 . . . A 589 PHE CA . 18464 1 687 . 1 1 71 71 PHE CB C 13 39.888 0.100 . 1 . . . A 589 PHE CB . 18464 1 688 . 1 1 71 71 PHE CD1 C 13 132.745 0.100 . 3 . . . A 589 PHE CD1 . 18464 1 689 . 1 1 71 71 PHE CD2 C 13 132.745 0.100 . 3 . . . A 589 PHE CD2 . 18464 1 690 . 1 1 71 71 PHE N N 15 127.941 0.100 . 1 . . . A 589 PHE N . 18464 1 691 . 1 1 72 72 LYS H H 1 9.276 0.010 . 1 . . . A 590 LYS H . 18464 1 692 . 1 1 72 72 LYS C C 13 176.871 0.100 . 1 . . . A 590 LYS C . 18464 1 693 . 1 1 72 72 LYS CA C 13 55.738 0.100 . 1 . . . A 590 LYS CA . 18464 1 694 . 1 1 72 72 LYS CB C 13 33.296 0.100 . 1 . . . A 590 LYS CB . 18464 1 695 . 1 1 72 72 LYS N N 15 121.653 0.100 . 1 . . . A 590 LYS N . 18464 1 696 . 1 1 73 73 ASN H H 1 8.354 0.010 . 1 . . . A 591 ASN H . 18464 1 697 . 1 1 73 73 ASN HA H 1 4.721 0.010 . 1 . . . A 591 ASN HA . 18464 1 698 . 1 1 73 73 ASN HB2 H 1 2.732 0.010 . 2 . . . A 591 ASN HB2 . 18464 1 699 . 1 1 73 73 ASN HB3 H 1 2.732 0.010 . 2 . . . A 591 ASN HB3 . 18464 1 700 . 1 1 73 73 ASN HD21 H 1 7.808 0.010 . 2 . . . A 591 ASN HD21 . 18464 1 701 . 1 1 73 73 ASN HD22 H 1 6.864 0.010 . 2 . . . A 591 ASN HD22 . 18464 1 702 . 1 1 73 73 ASN C C 13 176.269 0.100 . 1 . . . A 591 ASN C . 18464 1 703 . 1 1 73 73 ASN CA C 13 56.270 0.100 . 1 . . . A 591 ASN CA . 18464 1 704 . 1 1 73 73 ASN CB C 13 40.229 0.100 . 1 . . . A 591 ASN CB . 18464 1 705 . 1 1 73 73 ASN N N 15 120.637 0.100 . 1 . . . A 591 ASN N . 18464 1 706 . 1 1 73 73 ASN ND2 N 15 116.418 0.100 . 1 . . . A 591 ASN ND2 . 18464 1 707 . 1 1 74 74 ASP H H 1 9.453 0.010 . 1 . . . A 592 ASP H . 18464 1 708 . 1 1 74 74 ASP HA H 1 4.482 0.010 . 1 . . . A 592 ASP HA . 18464 1 709 . 1 1 74 74 ASP HB2 H 1 3.075 0.010 . 2 . . . A 592 ASP HB2 . 18464 1 710 . 1 1 74 74 ASP HB3 H 1 2.979 0.010 . 2 . . . A 592 ASP HB3 . 18464 1 711 . 1 1 74 74 ASP C C 13 175.204 0.100 . 1 . . . A 592 ASP C . 18464 1 712 . 1 1 74 74 ASP CA C 13 57.692 0.100 . 1 . . . A 592 ASP CA . 18464 1 713 . 1 1 74 74 ASP CB C 13 40.237 0.100 . 1 . . . A 592 ASP CB . 18464 1 714 . 1 1 74 74 ASP N N 15 118.670 0.100 . 1 . . . A 592 ASP N . 18464 1 715 . 1 1 75 75 GLU H H 1 8.265 0.010 . 1 . . . A 593 GLU H . 18464 1 716 . 1 1 75 75 GLU HA H 1 4.679 0.010 . 1 . . . A 593 GLU HA . 18464 1 717 . 1 1 75 75 GLU HB2 H 1 2.451 0.010 . 2 . . . A 593 GLU HB2 . 18464 1 718 . 1 1 75 75 GLU HB3 H 1 2.205 0.010 . 2 . . . A 593 GLU HB3 . 18464 1 719 . 1 1 75 75 GLU HG2 H 1 2.345 0.010 . 2 . . . A 593 GLU HG2 . 18464 1 720 . 1 1 75 75 GLU HG3 H 1 2.245 0.010 . 2 . . . A 593 GLU HG3 . 18464 1 721 . 1 1 75 75 GLU C C 13 178.504 0.100 . 1 . . . A 593 GLU C . 18464 1 722 . 1 1 75 75 GLU CA C 13 57.324 0.100 . 1 . . . A 593 GLU CA . 18464 1 723 . 1 1 75 75 GLU CB C 13 31.216 0.100 . 1 . . . A 593 GLU CB . 18464 1 724 . 1 1 75 75 GLU CG C 13 37.334 0.100 . 1 . . . A 593 GLU CG . 18464 1 725 . 1 1 75 75 GLU N N 15 120.467 0.100 . 1 . . . A 593 GLU N . 18464 1 726 . 1 1 76 76 THR H H 1 8.849 0.010 . 1 . . . A 594 THR H . 18464 1 727 . 1 1 76 76 THR HA H 1 4.895 0.010 . 1 . . . A 594 THR HA . 18464 1 728 . 1 1 76 76 THR HB H 1 4.799 0.010 . 1 . . . A 594 THR HB . 18464 1 729 . 1 1 76 76 THR HG21 H 1 1.116 0.010 . 1 . . . A 594 THR HG21 . 18464 1 730 . 1 1 76 76 THR HG22 H 1 1.116 0.010 . 1 . . . A 594 THR HG22 . 18464 1 731 . 1 1 76 76 THR HG23 H 1 1.116 0.010 . 1 . . . A 594 THR HG23 . 18464 1 732 . 1 1 76 76 THR C C 13 173.546 0.100 . 1 . . . A 594 THR C . 18464 1 733 . 1 1 76 76 THR CA C 13 62.349 0.100 . 1 . . . A 594 THR CA . 18464 1 734 . 1 1 76 76 THR CB C 13 70.566 0.100 . 1 . . . A 594 THR CB . 18464 1 735 . 1 1 76 76 THR CG2 C 13 22.026 0.100 . 1 . . . A 594 THR CG2 . 18464 1 736 . 1 1 76 76 THR N N 15 111.250 0.100 . 1 . . . A 594 THR N . 18464 1 737 . 1 1 77 77 VAL H H 1 7.606 0.010 . 1 . . . A 595 VAL H . 18464 1 738 . 1 1 77 77 VAL HA H 1 5.473 0.010 . 1 . . . A 595 VAL HA . 18464 1 739 . 1 1 77 77 VAL HB H 1 2.163 0.010 . 1 . . . A 595 VAL HB . 18464 1 740 . 1 1 77 77 VAL HG11 H 1 1.023 0.010 . 2 . . . A 595 VAL HG11 . 18464 1 741 . 1 1 77 77 VAL HG12 H 1 1.023 0.010 . 2 . . . A 595 VAL HG12 . 18464 1 742 . 1 1 77 77 VAL HG13 H 1 1.023 0.010 . 2 . . . A 595 VAL HG13 . 18464 1 743 . 1 1 77 77 VAL HG21 H 1 0.911 0.010 . 2 . . . A 595 VAL HG21 . 18464 1 744 . 1 1 77 77 VAL HG22 H 1 0.911 0.010 . 2 . . . A 595 VAL HG22 . 18464 1 745 . 1 1 77 77 VAL HG23 H 1 0.911 0.010 . 2 . . . A 595 VAL HG23 . 18464 1 746 . 1 1 77 77 VAL C C 13 174.332 0.100 . 1 . . . A 595 VAL C . 18464 1 747 . 1 1 77 77 VAL CA C 13 61.526 0.100 . 1 . . . A 595 VAL CA . 18464 1 748 . 1 1 77 77 VAL CB C 13 35.050 0.100 . 1 . . . A 595 VAL CB . 18464 1 749 . 1 1 77 77 VAL CG1 C 13 21.851 0.100 . 2 . . . A 595 VAL CG1 . 18464 1 750 . 1 1 77 77 VAL CG2 C 13 19.954 0.100 . 2 . . . A 595 VAL CG2 . 18464 1 751 . 1 1 77 77 VAL N N 15 119.885 0.100 . 1 . . . A 595 VAL N . 18464 1 752 . 1 1 78 78 LYS H H 1 8.481 0.010 . 1 . . . A 596 LYS H . 18464 1 753 . 1 1 78 78 LYS HA H 1 4.633 0.010 . 1 . . . A 596 LYS HA . 18464 1 754 . 1 1 78 78 LYS HB2 H 1 1.634 0.010 . 2 . . . A 596 LYS HB2 . 18464 1 755 . 1 1 78 78 LYS HB3 H 1 1.135 0.010 . 2 . . . A 596 LYS HB3 . 18464 1 756 . 1 1 78 78 LYS HG2 H 1 0.190 0.010 . 2 . . . A 596 LYS HG2 . 18464 1 757 . 1 1 78 78 LYS HG3 H 1 0.190 0.010 . 2 . . . A 596 LYS HG3 . 18464 1 758 . 1 1 78 78 LYS HD2 H 1 1.601 0.010 . 2 . . . A 596 LYS HD2 . 18464 1 759 . 1 1 78 78 LYS HD3 H 1 1.385 0.010 . 2 . . . A 596 LYS HD3 . 18464 1 760 . 1 1 78 78 LYS HE2 H 1 2.895 0.010 . 2 . . . A 596 LYS HE2 . 18464 1 761 . 1 1 78 78 LYS HE3 H 1 2.579 0.010 . 2 . . . A 596 LYS HE3 . 18464 1 762 . 1 1 78 78 LYS C C 13 174.742 0.100 . 1 . . . A 596 LYS C . 18464 1 763 . 1 1 78 78 LYS CA C 13 53.347 0.100 . 1 . . . A 596 LYS CA . 18464 1 764 . 1 1 78 78 LYS CB C 13 37.385 0.100 . 1 . . . A 596 LYS CB . 18464 1 765 . 1 1 78 78 LYS CG C 13 23.241 0.100 . 1 . . . A 596 LYS CG . 18464 1 766 . 1 1 78 78 LYS CD C 13 27.165 0.100 . 1 . . . A 596 LYS CD . 18464 1 767 . 1 1 78 78 LYS CE C 13 42.778 0.100 . 1 . . . A 596 LYS CE . 18464 1 768 . 1 1 78 78 LYS N N 15 125.638 0.100 . 1 . . . A 596 LYS N . 18464 1 769 . 1 1 79 79 THR H H 1 7.941 0.010 . 1 . . . A 597 THR H . 18464 1 770 . 1 1 79 79 THR HA H 1 5.306 0.010 . 1 . . . A 597 THR HA . 18464 1 771 . 1 1 79 79 THR HB H 1 3.893 0.010 . 1 . . . A 597 THR HB . 18464 1 772 . 1 1 79 79 THR HG21 H 1 0.981 0.010 . 1 . . . A 597 THR HG21 . 18464 1 773 . 1 1 79 79 THR HG22 H 1 0.981 0.010 . 1 . . . A 597 THR HG22 . 18464 1 774 . 1 1 79 79 THR HG23 H 1 0.981 0.010 . 1 . . . A 597 THR HG23 . 18464 1 775 . 1 1 79 79 THR C C 13 173.730 0.100 . 1 . . . A 597 THR C . 18464 1 776 . 1 1 79 79 THR CA C 13 60.180 0.100 . 1 . . . A 597 THR CA . 18464 1 777 . 1 1 79 79 THR CB C 13 71.976 0.100 . 1 . . . A 597 THR CB . 18464 1 778 . 1 1 79 79 THR CG2 C 13 22.109 0.100 . 1 . . . A 597 THR CG2 . 18464 1 779 . 1 1 79 79 THR N N 15 110.601 0.100 . 1 . . . A 597 THR N . 18464 1 780 . 1 1 80 80 ILE H H 1 8.779 0.010 . 1 . . . A 598 ILE H . 18464 1 781 . 1 1 80 80 ILE HA H 1 3.787 0.010 . 1 . . . A 598 ILE HA . 18464 1 782 . 1 1 80 80 ILE HB H 1 1.167 0.010 . 1 . . . A 598 ILE HB . 18464 1 783 . 1 1 80 80 ILE HG12 H 1 1.103 0.010 . 2 . . . A 598 ILE HG12 . 18464 1 784 . 1 1 80 80 ILE HG13 H 1 -0.443 0.010 . 2 . . . A 598 ILE HG13 . 18464 1 785 . 1 1 80 80 ILE HG21 H 1 0.381 0.010 . 1 . . . A 598 ILE HG21 . 18464 1 786 . 1 1 80 80 ILE HG22 H 1 0.381 0.010 . 1 . . . A 598 ILE HG22 . 18464 1 787 . 1 1 80 80 ILE HG23 H 1 0.381 0.010 . 1 . . . A 598 ILE HG23 . 18464 1 788 . 1 1 80 80 ILE HD11 H 1 0.306 0.010 . 1 . . . A 598 ILE HD11 . 18464 1 789 . 1 1 80 80 ILE HD12 H 1 0.306 0.010 . 1 . . . A 598 ILE HD12 . 18464 1 790 . 1 1 80 80 ILE HD13 H 1 0.306 0.010 . 1 . . . A 598 ILE HD13 . 18464 1 791 . 1 1 80 80 ILE C C 13 174.183 0.100 . 1 . . . A 598 ILE C . 18464 1 792 . 1 1 80 80 ILE CA C 13 60.706 0.100 . 1 . . . A 598 ILE CA . 18464 1 793 . 1 1 80 80 ILE CB C 13 41.595 0.100 . 1 . . . A 598 ILE CB . 18464 1 794 . 1 1 80 80 ILE CG1 C 13 27.499 0.100 . 1 . . . A 598 ILE CG1 . 18464 1 795 . 1 1 80 80 ILE CG2 C 13 17.036 0.100 . 1 . . . A 598 ILE CG2 . 18464 1 796 . 1 1 80 80 ILE CD1 C 13 15.629 0.100 . 1 . . . A 598 ILE CD1 . 18464 1 797 . 1 1 80 80 ILE N N 15 122.366 0.100 . 1 . . . A 598 ILE N . 18464 1 798 . 1 1 81 81 ARG H H 1 8.086 0.010 . 1 . . . A 599 ARG H . 18464 1 799 . 1 1 81 81 ARG HA H 1 5.421 0.010 . 1 . . . A 599 ARG HA . 18464 1 800 . 1 1 81 81 ARG HB2 H 1 1.568 0.010 . 2 . . . A 599 ARG HB2 . 18464 1 801 . 1 1 81 81 ARG HB3 H 1 1.568 0.010 . 2 . . . A 599 ARG HB3 . 18464 1 802 . 1 1 81 81 ARG HG2 H 1 1.548 0.010 . 2 . . . A 599 ARG HG2 . 18464 1 803 . 1 1 81 81 ARG HG3 H 1 1.415 0.010 . 2 . . . A 599 ARG HG3 . 18464 1 804 . 1 1 81 81 ARG HD2 H 1 3.205 0.010 . 2 . . . A 599 ARG HD2 . 18464 1 805 . 1 1 81 81 ARG HD3 H 1 3.097 0.010 . 2 . . . A 599 ARG HD3 . 18464 1 806 . 1 1 81 81 ARG C C 13 175.780 0.100 . 1 . . . A 599 ARG C . 18464 1 807 . 1 1 81 81 ARG CA C 13 54.413 0.100 . 1 . . . A 599 ARG CA . 18464 1 808 . 1 1 81 81 ARG CB C 13 32.629 0.100 . 1 . . . A 599 ARG CB . 18464 1 809 . 1 1 81 81 ARG CG C 13 28.257 0.100 . 1 . . . A 599 ARG CG . 18464 1 810 . 1 1 81 81 ARG CD C 13 43.580 0.100 . 1 . . . A 599 ARG CD . 18464 1 811 . 1 1 81 81 ARG N N 15 125.661 0.100 . 1 . . . A 599 ARG N . 18464 1 812 . 1 1 82 82 VAL H H 1 8.438 0.010 . 1 . . . A 600 VAL H . 18464 1 813 . 1 1 82 82 VAL HA H 1 4.686 0.010 . 1 . . . A 600 VAL HA . 18464 1 814 . 1 1 82 82 VAL HB H 1 1.850 0.010 . 1 . . . A 600 VAL HB . 18464 1 815 . 1 1 82 82 VAL HG11 H 1 1.042 0.010 . 2 . . . A 600 VAL HG11 . 18464 1 816 . 1 1 82 82 VAL HG12 H 1 1.042 0.010 . 2 . . . A 600 VAL HG12 . 18464 1 817 . 1 1 82 82 VAL HG13 H 1 1.042 0.010 . 2 . . . A 600 VAL HG13 . 18464 1 818 . 1 1 82 82 VAL HG21 H 1 0.796 0.010 . 2 . . . A 600 VAL HG21 . 18464 1 819 . 1 1 82 82 VAL HG22 H 1 0.796 0.010 . 2 . . . A 600 VAL HG22 . 18464 1 820 . 1 1 82 82 VAL HG23 H 1 0.796 0.010 . 2 . . . A 600 VAL HG23 . 18464 1 821 . 1 1 82 82 VAL C C 13 174.641 0.100 . 1 . . . A 600 VAL C . 18464 1 822 . 1 1 82 82 VAL CA C 13 60.556 0.100 . 1 . . . A 600 VAL CA . 18464 1 823 . 1 1 82 82 VAL CB C 13 36.179 0.100 . 1 . . . A 600 VAL CB . 18464 1 824 . 1 1 82 82 VAL CG1 C 13 21.346 0.100 . 2 . . . A 600 VAL CG1 . 18464 1 825 . 1 1 82 82 VAL CG2 C 13 21.346 0.100 . 2 . . . A 600 VAL CG2 . 18464 1 826 . 1 1 82 82 VAL N N 15 121.446 0.100 . 1 . . . A 600 VAL N . 18464 1 827 . 1 1 83 83 LYS H H 1 9.522 0.010 . 1 . . . A 601 LYS H . 18464 1 828 . 1 1 83 83 LYS HA H 1 4.594 0.010 . 1 . . . A 601 LYS HA . 18464 1 829 . 1 1 83 83 LYS C C 13 174.488 0.100 . 1 . . . A 601 LYS C . 18464 1 830 . 1 1 83 83 LYS CA C 13 56.530 0.100 . 1 . . . A 601 LYS CA . 18464 1 831 . 1 1 83 83 LYS CB C 13 33.186 0.100 . 1 . . . A 601 LYS CB . 18464 1 832 . 1 1 83 83 LYS N N 15 129.467 0.100 . 1 . . . A 601 LYS N . 18464 1 833 . 1 1 84 84 ILE H H 1 8.358 0.010 . 1 . . . A 602 ILE H . 18464 1 834 . 1 1 84 84 ILE HA H 1 4.307 0.010 . 1 . . . A 602 ILE HA . 18464 1 835 . 1 1 84 84 ILE HB H 1 2.011 0.010 . 1 . . . A 602 ILE HB . 18464 1 836 . 1 1 84 84 ILE HG12 H 1 1.633 0.010 . 2 . . . A 602 ILE HG12 . 18464 1 837 . 1 1 84 84 ILE HG13 H 1 1.317 0.010 . 2 . . . A 602 ILE HG13 . 18464 1 838 . 1 1 84 84 ILE HG21 H 1 1.125 0.010 . 1 . . . A 602 ILE HG21 . 18464 1 839 . 1 1 84 84 ILE HG22 H 1 1.125 0.010 . 1 . . . A 602 ILE HG22 . 18464 1 840 . 1 1 84 84 ILE HG23 H 1 1.125 0.010 . 1 . . . A 602 ILE HG23 . 18464 1 841 . 1 1 84 84 ILE HD11 H 1 0.824 0.010 . 1 . . . A 602 ILE HD11 . 18464 1 842 . 1 1 84 84 ILE HD12 H 1 0.824 0.010 . 1 . . . A 602 ILE HD12 . 18464 1 843 . 1 1 84 84 ILE HD13 H 1 0.824 0.010 . 1 . . . A 602 ILE HD13 . 18464 1 844 . 1 1 84 84 ILE C C 13 176.545 0.100 . 1 . . . A 602 ILE C . 18464 1 845 . 1 1 84 84 ILE CA C 13 58.680 0.100 . 1 . . . A 602 ILE CA . 18464 1 846 . 1 1 84 84 ILE CB C 13 37.293 0.100 . 1 . . . A 602 ILE CB . 18464 1 847 . 1 1 84 84 ILE CG1 C 13 27.581 0.100 . 1 . . . A 602 ILE CG1 . 18464 1 848 . 1 1 84 84 ILE CG2 C 13 17.988 0.100 . 1 . . . A 602 ILE CG2 . 18464 1 849 . 1 1 84 84 ILE CD1 C 13 10.150 0.100 . 1 . . . A 602 ILE CD1 . 18464 1 850 . 1 1 84 84 ILE N N 15 128.157 0.100 . 1 . . . A 602 ILE N . 18464 1 851 . 1 1 85 85 VAL H H 1 7.872 0.010 . 1 . . . A 603 VAL H . 18464 1 852 . 1 1 85 85 VAL HA H 1 3.880 0.010 . 1 . . . A 603 VAL HA . 18464 1 853 . 1 1 85 85 VAL HB H 1 1.715 0.010 . 1 . . . A 603 VAL HB . 18464 1 854 . 1 1 85 85 VAL HG11 H 1 0.813 0.010 . 2 . . . A 603 VAL HG11 . 18464 1 855 . 1 1 85 85 VAL HG12 H 1 0.813 0.010 . 2 . . . A 603 VAL HG12 . 18464 1 856 . 1 1 85 85 VAL HG13 H 1 0.813 0.010 . 2 . . . A 603 VAL HG13 . 18464 1 857 . 1 1 85 85 VAL HG21 H 1 0.524 0.010 . 2 . . . A 603 VAL HG21 . 18464 1 858 . 1 1 85 85 VAL HG22 H 1 0.524 0.010 . 2 . . . A 603 VAL HG22 . 18464 1 859 . 1 1 85 85 VAL HG23 H 1 0.524 0.010 . 2 . . . A 603 VAL HG23 . 18464 1 860 . 1 1 85 85 VAL CA C 13 63.148 0.100 . 1 . . . A 603 VAL CA . 18464 1 861 . 1 1 85 85 VAL CB C 13 32.598 0.100 . 1 . . . A 603 VAL CB . 18464 1 862 . 1 1 85 85 VAL CG1 C 13 20.812 0.100 . 2 . . . A 603 VAL CG1 . 18464 1 863 . 1 1 85 85 VAL CG2 C 13 19.754 0.100 . 2 . . . A 603 VAL CG2 . 18464 1 864 . 1 1 85 85 VAL N N 15 130.657 0.100 . 1 . . . A 603 VAL N . 18464 1 865 . 1 1 86 86 ASP H H 1 8.756 0.010 . 1 . . . A 604 ASP H . 18464 1 866 . 1 1 86 86 ASP HA H 1 4.847 0.010 . 1 . . . A 604 ASP HA . 18464 1 867 . 1 1 86 86 ASP HB2 H 1 2.858 0.010 . 2 . . . A 604 ASP HB2 . 18464 1 868 . 1 1 86 86 ASP HB3 H 1 2.663 0.010 . 2 . . . A 604 ASP HB3 . 18464 1 869 . 1 1 86 86 ASP CA C 13 52.989 0.100 . 1 . . . A 604 ASP CA . 18464 1 870 . 1 1 86 86 ASP CB C 13 40.805 0.100 . 1 . . . A 604 ASP CB . 18464 1 871 . 1 1 86 86 ASP N N 15 128.412 0.100 . 1 . . . A 604 ASP N . 18464 1 872 . 1 1 93 93 GLN H H 1 8.153 0.010 . 1 . . . A 611 GLN H . 18464 1 873 . 1 1 93 93 GLN HA H 1 4.395 0.010 . 1 . . . A 611 GLN HA . 18464 1 874 . 1 1 93 93 GLN HB2 H 1 2.021 0.010 . 2 . . . A 611 GLN HB2 . 18464 1 875 . 1 1 93 93 GLN HB3 H 1 1.867 0.010 . 2 . . . A 611 GLN HB3 . 18464 1 876 . 1 1 93 93 GLN HG2 H 1 2.428 0.010 . 2 . . . A 611 GLN HG2 . 18464 1 877 . 1 1 93 93 GLN HG3 H 1 2.292 0.010 . 2 . . . A 611 GLN HG3 . 18464 1 878 . 1 1 93 93 GLN HE21 H 1 8.078 0.010 . 2 . . . A 611 GLN HE21 . 18464 1 879 . 1 1 93 93 GLN HE22 H 1 6.917 0.010 . 2 . . . A 611 GLN HE22 . 18464 1 880 . 1 1 93 93 GLN CA C 13 57.887 0.100 . 1 . . . A 611 GLN CA . 18464 1 881 . 1 1 93 93 GLN CB C 13 29.486 0.100 . 1 . . . A 611 GLN CB . 18464 1 882 . 1 1 93 93 GLN CG C 13 34.824 0.100 . 1 . . . A 611 GLN CG . 18464 1 883 . 1 1 93 93 GLN N N 15 118.441 0.100 . 1 . . . A 611 GLN N . 18464 1 884 . 1 1 93 93 GLN NE2 N 15 113.052 0.100 . 1 . . . A 611 GLN NE2 . 18464 1 885 . 1 1 94 94 GLU H H 1 7.741 0.010 . 1 . . . A 612 GLU H . 18464 1 886 . 1 1 94 94 GLU HA H 1 4.676 0.010 . 1 . . . A 612 GLU HA . 18464 1 887 . 1 1 94 94 GLU C C 13 174.635 0.100 . 1 . . . A 612 GLU C . 18464 1 888 . 1 1 94 94 GLU CA C 13 54.730 0.100 . 1 . . . A 612 GLU CA . 18464 1 889 . 1 1 94 94 GLU CB C 13 35.671 0.100 . 1 . . . A 612 GLU CB . 18464 1 890 . 1 1 94 94 GLU N N 15 123.091 0.100 . 1 . . . A 612 GLU N . 18464 1 891 . 1 1 95 95 ASN H H 1 8.548 0.010 . 1 . . . A 613 ASN H . 18464 1 892 . 1 1 95 95 ASN HA H 1 6.169 0.010 . 1 . . . A 613 ASN HA . 18464 1 893 . 1 1 95 95 ASN HB2 H 1 2.629 0.010 . 2 . . . A 613 ASN HB2 . 18464 1 894 . 1 1 95 95 ASN HB3 H 1 2.457 0.010 . 2 . . . A 613 ASN HB3 . 18464 1 895 . 1 1 95 95 ASN HD21 H 1 8.389 0.010 . 2 . . . A 613 ASN HD21 . 18464 1 896 . 1 1 95 95 ASN HD22 H 1 6.377 0.010 . 2 . . . A 613 ASN HD22 . 18464 1 897 . 1 1 95 95 ASN C C 13 174.069 0.100 . 1 . . . A 613 ASN C . 18464 1 898 . 1 1 95 95 ASN CA C 13 50.206 0.100 . 1 . . . A 613 ASN CA . 18464 1 899 . 1 1 95 95 ASN CB C 13 42.024 0.100 . 1 . . . A 613 ASN CB . 18464 1 900 . 1 1 95 95 ASN N N 15 116.331 0.100 . 1 . . . A 613 ASN N . 18464 1 901 . 1 1 95 95 ASN ND2 N 15 111.938 0.100 . 1 . . . A 613 ASN ND2 . 18464 1 902 . 1 1 96 96 PHE H H 1 8.598 0.010 . 1 . . . A 614 PHE H . 18464 1 903 . 1 1 96 96 PHE HA H 1 4.479 0.010 . 1 . . . A 614 PHE HA . 18464 1 904 . 1 1 96 96 PHE HB2 H 1 3.152 0.010 . 2 . . . A 614 PHE HB2 . 18464 1 905 . 1 1 96 96 PHE HB3 H 1 3.152 0.010 . 2 . . . A 614 PHE HB3 . 18464 1 906 . 1 1 96 96 PHE HD1 H 1 6.447 0.010 . 3 . . . A 614 PHE HD1 . 18464 1 907 . 1 1 96 96 PHE HD2 H 1 6.447 0.010 . 3 . . . A 614 PHE HD2 . 18464 1 908 . 1 1 96 96 PHE HE1 H 1 6.442 0.010 . 3 . . . A 614 PHE HE1 . 18464 1 909 . 1 1 96 96 PHE HE2 H 1 6.442 0.010 . 3 . . . A 614 PHE HE2 . 18464 1 910 . 1 1 96 96 PHE HZ H 1 6.626 0.010 . 1 . . . A 614 PHE HZ . 18464 1 911 . 1 1 96 96 PHE C C 13 170.555 0.100 . 1 . . . A 614 PHE C . 18464 1 912 . 1 1 96 96 PHE CA C 13 56.790 0.100 . 1 . . . A 614 PHE CA . 18464 1 913 . 1 1 96 96 PHE CB C 13 40.697 0.100 . 1 . . . A 614 PHE CB . 18464 1 914 . 1 1 96 96 PHE CD1 C 13 132.248 0.100 . 3 . . . A 614 PHE CD1 . 18464 1 915 . 1 1 96 96 PHE CD2 C 13 132.248 0.100 . 3 . . . A 614 PHE CD2 . 18464 1 916 . 1 1 96 96 PHE CE1 C 13 129.159 0.100 . 3 . . . A 614 PHE CE1 . 18464 1 917 . 1 1 96 96 PHE CE2 C 13 129.159 0.100 . 3 . . . A 614 PHE CE2 . 18464 1 918 . 1 1 96 96 PHE CZ C 13 127.936 0.100 . 1 . . . A 614 PHE CZ . 18464 1 919 . 1 1 96 96 PHE N N 15 116.925 0.100 . 1 . . . A 614 PHE N . 18464 1 920 . 1 1 97 97 PHE H H 1 9.388 0.010 . 1 . . . A 615 PHE H . 18464 1 921 . 1 1 97 97 PHE HA H 1 5.791 0.010 . 1 . . . A 615 PHE HA . 18464 1 922 . 1 1 97 97 PHE HB2 H 1 2.755 0.010 . 2 . . . A 615 PHE HB2 . 18464 1 923 . 1 1 97 97 PHE HB3 H 1 2.755 0.010 . 2 . . . A 615 PHE HB3 . 18464 1 924 . 1 1 97 97 PHE HD1 H 1 6.923 0.010 . 3 . . . A 615 PHE HD1 . 18464 1 925 . 1 1 97 97 PHE HD2 H 1 6.923 0.010 . 3 . . . A 615 PHE HD2 . 18464 1 926 . 1 1 97 97 PHE HE1 H 1 7.230 0.010 . 3 . . . A 615 PHE HE1 . 18464 1 927 . 1 1 97 97 PHE HE2 H 1 7.230 0.010 . 3 . . . A 615 PHE HE2 . 18464 1 928 . 1 1 97 97 PHE C C 13 175.558 0.100 . 1 . . . A 615 PHE C . 18464 1 929 . 1 1 97 97 PHE CA C 13 55.320 0.100 . 1 . . . A 615 PHE CA . 18464 1 930 . 1 1 97 97 PHE CB C 13 43.092 0.100 . 1 . . . A 615 PHE CB . 18464 1 931 . 1 1 97 97 PHE CD1 C 13 131.860 0.100 . 3 . . . A 615 PHE CD1 . 18464 1 932 . 1 1 97 97 PHE CD2 C 13 131.860 0.100 . 3 . . . A 615 PHE CD2 . 18464 1 933 . 1 1 97 97 PHE CE1 C 13 130.966 0.100 . 3 . . . A 615 PHE CE1 . 18464 1 934 . 1 1 97 97 PHE CE2 C 13 130.966 0.100 . 3 . . . A 615 PHE CE2 . 18464 1 935 . 1 1 97 97 PHE N N 15 115.300 0.100 . 1 . . . A 615 PHE N . 18464 1 936 . 1 1 98 98 ILE H H 1 9.149 0.010 . 1 . . . A 616 ILE H . 18464 1 937 . 1 1 98 98 ILE HA H 1 4.714 0.010 . 1 . . . A 616 ILE HA . 18464 1 938 . 1 1 98 98 ILE HB H 1 1.554 0.010 . 1 . . . A 616 ILE HB . 18464 1 939 . 1 1 98 98 ILE HG12 H 1 1.433 0.010 . 2 . . . A 616 ILE HG12 . 18464 1 940 . 1 1 98 98 ILE HG13 H 1 1.433 0.010 . 2 . . . A 616 ILE HG13 . 18464 1 941 . 1 1 98 98 ILE HG21 H 1 0.995 0.010 . 1 . . . A 616 ILE HG21 . 18464 1 942 . 1 1 98 98 ILE HG22 H 1 0.995 0.010 . 1 . . . A 616 ILE HG22 . 18464 1 943 . 1 1 98 98 ILE HG23 H 1 0.995 0.010 . 1 . . . A 616 ILE HG23 . 18464 1 944 . 1 1 98 98 ILE HD11 H 1 0.587 0.010 . 1 . . . A 616 ILE HD11 . 18464 1 945 . 1 1 98 98 ILE HD12 H 1 0.587 0.010 . 1 . . . A 616 ILE HD12 . 18464 1 946 . 1 1 98 98 ILE HD13 H 1 0.587 0.010 . 1 . . . A 616 ILE HD13 . 18464 1 947 . 1 1 98 98 ILE C C 13 173.969 0.100 . 1 . . . A 616 ILE C . 18464 1 948 . 1 1 98 98 ILE CA C 13 61.377 0.100 . 1 . . . A 616 ILE CA . 18464 1 949 . 1 1 98 98 ILE CB C 13 39.034 0.100 . 1 . . . A 616 ILE CB . 18464 1 950 . 1 1 98 98 ILE CG1 C 13 27.196 0.100 . 1 . . . A 616 ILE CG1 . 18464 1 951 . 1 1 98 98 ILE CG2 C 13 19.044 0.100 . 1 . . . A 616 ILE CG2 . 18464 1 952 . 1 1 98 98 ILE CD1 C 13 14.362 0.100 . 1 . . . A 616 ILE CD1 . 18464 1 953 . 1 1 98 98 ILE N N 15 119.503 0.100 . 1 . . . A 616 ILE N . 18464 1 954 . 1 1 99 99 ALA H H 1 9.404 0.010 . 1 . . . A 617 ALA H . 18464 1 955 . 1 1 99 99 ALA HA H 1 5.202 0.010 . 1 . . . A 617 ALA HA . 18464 1 956 . 1 1 99 99 ALA HB1 H 1 1.434 0.010 . 1 . . . A 617 ALA HB1 . 18464 1 957 . 1 1 99 99 ALA HB2 H 1 1.434 0.010 . 1 . . . A 617 ALA HB2 . 18464 1 958 . 1 1 99 99 ALA HB3 H 1 1.434 0.010 . 1 . . . A 617 ALA HB3 . 18464 1 959 . 1 1 99 99 ALA C C 13 177.331 0.100 . 1 . . . A 617 ALA C . 18464 1 960 . 1 1 99 99 ALA CA C 13 51.188 0.100 . 1 . . . A 617 ALA CA . 18464 1 961 . 1 1 99 99 ALA CB C 13 21.703 0.100 . 1 . . . A 617 ALA CB . 18464 1 962 . 1 1 99 99 ALA N N 15 129.111 0.100 . 1 . . . A 617 ALA N . 18464 1 963 . 1 1 100 100 LEU H H 1 8.062 0.010 . 1 . . . A 618 LEU H . 18464 1 964 . 1 1 100 100 LEU HA H 1 5.166 0.010 . 1 . . . A 618 LEU HA . 18464 1 965 . 1 1 100 100 LEU HB2 H 1 2.026 0.010 . 2 . . . A 618 LEU HB2 . 18464 1 966 . 1 1 100 100 LEU HB3 H 1 2.026 0.010 . 2 . . . A 618 LEU HB3 . 18464 1 967 . 1 1 100 100 LEU HG H 1 1.851 0.010 . 1 . . . A 618 LEU HG . 18464 1 968 . 1 1 100 100 LEU HD11 H 1 0.631 0.010 . 2 . . . A 618 LEU HD11 . 18464 1 969 . 1 1 100 100 LEU HD12 H 1 0.631 0.010 . 2 . . . A 618 LEU HD12 . 18464 1 970 . 1 1 100 100 LEU HD13 H 1 0.631 0.010 . 2 . . . A 618 LEU HD13 . 18464 1 971 . 1 1 100 100 LEU HD21 H 1 0.376 0.010 . 2 . . . A 618 LEU HD21 . 18464 1 972 . 1 1 100 100 LEU HD22 H 1 0.376 0.010 . 2 . . . A 618 LEU HD22 . 18464 1 973 . 1 1 100 100 LEU HD23 H 1 0.376 0.010 . 2 . . . A 618 LEU HD23 . 18464 1 974 . 1 1 100 100 LEU C C 13 177.673 0.100 . 1 . . . A 618 LEU C . 18464 1 975 . 1 1 100 100 LEU CA C 13 54.179 0.100 . 1 . . . A 618 LEU CA . 18464 1 976 . 1 1 100 100 LEU CB C 13 42.634 0.100 . 1 . . . A 618 LEU CB . 18464 1 977 . 1 1 100 100 LEU CG C 13 26.505 0.100 . 1 . . . A 618 LEU CG . 18464 1 978 . 1 1 100 100 LEU CD1 C 13 21.450 0.100 . 2 . . . A 618 LEU CD1 . 18464 1 979 . 1 1 100 100 LEU CD2 C 13 24.923 0.100 . 2 . . . A 618 LEU CD2 . 18464 1 980 . 1 1 100 100 LEU N N 15 121.556 0.100 . 1 . . . A 618 LEU N . 18464 1 981 . 1 1 101 101 GLY H H 1 8.552 0.010 . 1 . . . A 619 GLY H . 18464 1 982 . 1 1 101 101 GLY HA2 H 1 4.468 0.010 . 2 . . . A 619 GLY HA2 . 18464 1 983 . 1 1 101 101 GLY HA3 H 1 3.395 0.010 . 2 . . . A 619 GLY HA3 . 18464 1 984 . 1 1 101 101 GLY C C 13 171.055 0.100 . 1 . . . A 619 GLY C . 18464 1 985 . 1 1 101 101 GLY CA C 13 43.099 0.100 . 1 . . . A 619 GLY CA . 18464 1 986 . 1 1 101 101 GLY N N 15 110.294 0.100 . 1 . . . A 619 GLY N . 18464 1 987 . 1 1 102 102 GLU H H 1 7.838 0.010 . 1 . . . A 620 GLU H . 18464 1 988 . 1 1 102 102 GLU HA H 1 4.305 0.010 . 1 . . . A 620 GLU HA . 18464 1 989 . 1 1 102 102 GLU HB2 H 1 1.957 0.010 . 2 . . . A 620 GLU HB2 . 18464 1 990 . 1 1 102 102 GLU HB3 H 1 1.957 0.010 . 2 . . . A 620 GLU HB3 . 18464 1 991 . 1 1 102 102 GLU HG2 H 1 2.357 0.010 . 2 . . . A 620 GLU HG2 . 18464 1 992 . 1 1 102 102 GLU HG3 H 1 2.357 0.010 . 2 . . . A 620 GLU HG3 . 18464 1 993 . 1 1 102 102 GLU CA C 13 54.652 0.100 . 1 . . . A 620 GLU CA . 18464 1 994 . 1 1 102 102 GLU CB C 13 29.986 0.100 . 1 . . . A 620 GLU CB . 18464 1 995 . 1 1 102 102 GLU CG C 13 36.011 0.100 . 1 . . . A 620 GLU CG . 18464 1 996 . 1 1 102 102 GLU N N 15 116.697 0.100 . 1 . . . A 620 GLU N . 18464 1 997 . 1 1 103 103 PRO HA H 1 4.591 0.010 . 1 . . . A 621 PRO HA . 18464 1 998 . 1 1 103 103 PRO HB2 H 1 1.311 0.010 . 2 . . . A 621 PRO HB2 . 18464 1 999 . 1 1 103 103 PRO HB3 H 1 1.473 0.010 . 2 . . . A 621 PRO HB3 . 18464 1 1000 . 1 1 103 103 PRO HG2 H 1 1.584 0.010 . 2 . . . A 621 PRO HG2 . 18464 1 1001 . 1 1 103 103 PRO HG3 H 1 1.380 0.010 . 2 . . . A 621 PRO HG3 . 18464 1 1002 . 1 1 103 103 PRO HD2 H 1 4.140 0.010 . 2 . . . A 621 PRO HD2 . 18464 1 1003 . 1 1 103 103 PRO HD3 H 1 3.629 0.010 . 2 . . . A 621 PRO HD3 . 18464 1 1004 . 1 1 103 103 PRO C C 13 175.934 0.100 . 1 . . . A 621 PRO C . 18464 1 1005 . 1 1 103 103 PRO CA C 13 62.137 0.100 . 1 . . . A 621 PRO CA . 18464 1 1006 . 1 1 103 103 PRO CB C 13 33.017 0.100 . 1 . . . A 621 PRO CB . 18464 1 1007 . 1 1 103 103 PRO CG C 13 27.274 0.100 . 1 . . . A 621 PRO CG . 18464 1 1008 . 1 1 103 103 PRO CD C 13 50.579 0.100 . 1 . . . A 621 PRO CD . 18464 1 1009 . 1 1 104 104 LYS H H 1 9.062 0.010 . 1 . . . A 622 LYS H . 18464 1 1010 . 1 1 104 104 LYS HA H 1 4.661 0.010 . 1 . . . A 622 LYS HA . 18464 1 1011 . 1 1 104 104 LYS HB2 H 1 1.817 0.010 . 2 . . . A 622 LYS HB2 . 18464 1 1012 . 1 1 104 104 LYS HB3 H 1 1.791 0.010 . 2 . . . A 622 LYS HB3 . 18464 1 1013 . 1 1 104 104 LYS HG2 H 1 1.489 0.010 . 2 . . . A 622 LYS HG2 . 18464 1 1014 . 1 1 104 104 LYS HG3 H 1 1.422 0.010 . 2 . . . A 622 LYS HG3 . 18464 1 1015 . 1 1 104 104 LYS HD2 H 1 1.707 0.010 . 2 . . . A 622 LYS HD2 . 18464 1 1016 . 1 1 104 104 LYS HD3 H 1 1.707 0.010 . 2 . . . A 622 LYS HD3 . 18464 1 1017 . 1 1 104 104 LYS HE2 H 1 2.946 0.010 . 2 . . . A 622 LYS HE2 . 18464 1 1018 . 1 1 104 104 LYS HE3 H 1 2.946 0.010 . 2 . . . A 622 LYS HE3 . 18464 1 1019 . 1 1 104 104 LYS CA C 13 54.880 0.100 . 1 . . . A 622 LYS CA . 18464 1 1020 . 1 1 104 104 LYS CB C 13 34.923 0.100 . 1 . . . A 622 LYS CB . 18464 1 1021 . 1 1 104 104 LYS CG C 13 24.612 0.100 . 1 . . . A 622 LYS CG . 18464 1 1022 . 1 1 104 104 LYS CD C 13 29.466 0.100 . 1 . . . A 622 LYS CD . 18464 1 1023 . 1 1 104 104 LYS CE C 13 42.233 0.100 . 1 . . . A 622 LYS CE . 18464 1 1024 . 1 1 104 104 LYS N N 15 121.759 0.100 . 1 . . . A 622 LYS N . 18464 1 1025 . 1 1 105 105 TRP H H 1 9.291 0.010 . 1 . . . A 623 TRP H . 18464 1 1026 . 1 1 105 105 TRP HA H 1 5.113 0.010 . 1 . . . A 623 TRP HA . 18464 1 1027 . 1 1 105 105 TRP HB2 H 1 3.712 0.010 . 2 . . . A 623 TRP HB2 . 18464 1 1028 . 1 1 105 105 TRP HB3 H 1 2.863 0.010 . 2 . . . A 623 TRP HB3 . 18464 1 1029 . 1 1 105 105 TRP HD1 H 1 7.446 0.010 . 1 . . . A 623 TRP HD1 . 18464 1 1030 . 1 1 105 105 TRP HE1 H 1 10.169 0.010 . 1 . . . A 623 TRP HE1 . 18464 1 1031 . 1 1 105 105 TRP HE3 H 1 7.604 0.010 . 1 . . . A 623 TRP HE3 . 18464 1 1032 . 1 1 105 105 TRP HZ2 H 1 7.151 0.010 . 1 . . . A 623 TRP HZ2 . 18464 1 1033 . 1 1 105 105 TRP HZ3 H 1 7.171 0.010 . 1 . . . A 623 TRP HZ3 . 18464 1 1034 . 1 1 105 105 TRP HH2 H 1 7.179 0.010 . 1 . . . A 623 TRP HH2 . 18464 1 1035 . 1 1 105 105 TRP CA C 13 54.687 0.100 . 1 . . . A 623 TRP CA . 18464 1 1036 . 1 1 105 105 TRP CB C 13 30.678 0.100 . 1 . . . A 623 TRP CB . 18464 1 1037 . 1 1 105 105 TRP CD1 C 13 124.065 0.100 . 1 . . . A 623 TRP CD1 . 18464 1 1038 . 1 1 105 105 TRP CE3 C 13 120.768 0.100 . 1 . . . A 623 TRP CE3 . 18464 1 1039 . 1 1 105 105 TRP CZ2 C 13 114.355 0.100 . 1 . . . A 623 TRP CZ2 . 18464 1 1040 . 1 1 105 105 TRP CZ3 C 13 122.398 0.100 . 1 . . . A 623 TRP CZ3 . 18464 1 1041 . 1 1 105 105 TRP CH2 C 13 125.369 0.100 . 1 . . . A 623 TRP CH2 . 18464 1 1042 . 1 1 105 105 TRP N N 15 128.407 0.100 . 1 . . . A 623 TRP N . 18464 1 1043 . 1 1 105 105 TRP NE1 N 15 128.477 0.100 . 1 . . . A 623 TRP NE1 . 18464 1 1044 . 1 1 106 106 MET H H 1 8.753 0.010 . 1 . . . A 624 MET H . 18464 1 1045 . 1 1 106 106 MET HA H 1 4.694 0.010 . 1 . . . A 624 MET HA . 18464 1 1046 . 1 1 106 106 MET HB2 H 1 2.170 0.010 . 2 . . . A 624 MET HB2 . 18464 1 1047 . 1 1 106 106 MET HB3 H 1 1.814 0.010 . 2 . . . A 624 MET HB3 . 18464 1 1048 . 1 1 106 106 MET HG2 H 1 1.968 0.010 . 2 . . . A 624 MET HG2 . 18464 1 1049 . 1 1 106 106 MET HG3 H 1 1.839 0.010 . 2 . . . A 624 MET HG3 . 18464 1 1050 . 1 1 106 106 MET HE1 H 1 2.069 0.010 . 1 . . . A 624 MET HE1 . 18464 1 1051 . 1 1 106 106 MET HE2 H 1 2.069 0.010 . 1 . . . A 624 MET HE2 . 18464 1 1052 . 1 1 106 106 MET HE3 H 1 2.069 0.010 . 1 . . . A 624 MET HE3 . 18464 1 1053 . 1 1 106 106 MET CA C 13 54.868 0.100 . 1 . . . A 624 MET CA . 18464 1 1054 . 1 1 106 106 MET CB C 13 31.452 0.100 . 1 . . . A 624 MET CB . 18464 1 1055 . 1 1 106 106 MET CG C 13 37.166 0.100 . 1 . . . A 624 MET CG . 18464 1 1056 . 1 1 106 106 MET CE C 13 16.502 0.100 . 1 . . . A 624 MET CE . 18464 1 1057 . 1 1 106 106 MET N N 15 125.886 0.100 . 1 . . . A 624 MET N . 18464 1 1058 . 1 1 107 107 GLU H H 1 7.328 0.010 . 1 . . . A 625 GLU H . 18464 1 1059 . 1 1 107 107 GLU HA H 1 4.220 0.010 . 1 . . . A 625 GLU HA . 18464 1 1060 . 1 1 107 107 GLU HB2 H 1 1.742 0.010 . 2 . . . A 625 GLU HB2 . 18464 1 1061 . 1 1 107 107 GLU HB3 H 1 1.498 0.010 . 2 . . . A 625 GLU HB3 . 18464 1 1062 . 1 1 107 107 GLU HG2 H 1 2.065 0.010 . 2 . . . A 625 GLU HG2 . 18464 1 1063 . 1 1 107 107 GLU HG3 H 1 2.065 0.010 . 2 . . . A 625 GLU HG3 . 18464 1 1064 . 1 1 107 107 GLU CA C 13 56.041 0.100 . 1 . . . A 625 GLU CA . 18464 1 1065 . 1 1 107 107 GLU CB C 13 30.733 0.100 . 1 . . . A 625 GLU CB . 18464 1 1066 . 1 1 107 107 GLU CG C 13 36.144 0.100 . 1 . . . A 625 GLU CG . 18464 1 1067 . 1 1 107 107 GLU N N 15 119.478 0.100 . 1 . . . A 625 GLU N . 18464 1 1068 . 1 1 108 108 ARG HA H 1 3.962 0.010 . 1 . . . A 626 ARG HA . 18464 1 1069 . 1 1 108 108 ARG HB2 H 1 1.492 0.010 . 2 . . . A 626 ARG HB2 . 18464 1 1070 . 1 1 108 108 ARG HB3 H 1 1.492 0.010 . 2 . . . A 626 ARG HB3 . 18464 1 1071 . 1 1 108 108 ARG HG2 H 1 1.266 0.010 . 2 . . . A 626 ARG HG2 . 18464 1 1072 . 1 1 108 108 ARG HG3 H 1 0.856 0.010 . 2 . . . A 626 ARG HG3 . 18464 1 1073 . 1 1 108 108 ARG HD2 H 1 2.800 0.010 . 2 . . . A 626 ARG HD2 . 18464 1 1074 . 1 1 108 108 ARG HD3 H 1 2.764 0.010 . 2 . . . A 626 ARG HD3 . 18464 1 1075 . 1 1 108 108 ARG C C 13 176.645 0.100 . 1 . . . A 626 ARG C . 18464 1 1076 . 1 1 108 108 ARG CA C 13 56.462 0.100 . 1 . . . A 626 ARG CA . 18464 1 1077 . 1 1 108 108 ARG CB C 13 30.638 0.100 . 1 . . . A 626 ARG CB . 18464 1 1078 . 1 1 108 108 ARG CG C 13 26.669 0.100 . 1 . . . A 626 ARG CG . 18464 1 1079 . 1 1 108 108 ARG CD C 13 43.191 0.100 . 1 . . . A 626 ARG CD . 18464 1 1080 . 1 1 109 109 GLY H H 1 8.374 0.010 . 1 . . . A 627 GLY H . 18464 1 1081 . 1 1 109 109 GLY HA2 H 1 3.871 0.010 . 2 . . . A 627 GLY HA2 . 18464 1 1082 . 1 1 109 109 GLY HA3 H 1 3.871 0.010 . 2 . . . A 627 GLY HA3 . 18464 1 1083 . 1 1 109 109 GLY C C 13 174.095 0.100 . 1 . . . A 627 GLY C . 18464 1 1084 . 1 1 109 109 GLY CA C 13 45.483 0.100 . 1 . . . A 627 GLY CA . 18464 1 1085 . 1 1 109 109 GLY N N 15 108.692 0.100 . 1 . . . A 627 GLY N . 18464 1 1086 . 1 1 110 110 ILE H H 1 7.798 0.010 . 1 . . . A 628 ILE H . 18464 1 1087 . 1 1 110 110 ILE HA H 1 4.235 0.010 . 1 . . . A 628 ILE HA . 18464 1 1088 . 1 1 110 110 ILE HB H 1 1.829 0.010 . 1 . . . A 628 ILE HB . 18464 1 1089 . 1 1 110 110 ILE HG12 H 1 1.382 0.010 . 2 . . . A 628 ILE HG12 . 18464 1 1090 . 1 1 110 110 ILE HG13 H 1 1.082 0.010 . 2 . . . A 628 ILE HG13 . 18464 1 1091 . 1 1 110 110 ILE HG21 H 1 0.878 0.010 . 1 . . . A 628 ILE HG21 . 18464 1 1092 . 1 1 110 110 ILE HG22 H 1 0.878 0.010 . 1 . . . A 628 ILE HG22 . 18464 1 1093 . 1 1 110 110 ILE HG23 H 1 0.878 0.010 . 1 . . . A 628 ILE HG23 . 18464 1 1094 . 1 1 110 110 ILE HD11 H 1 0.812 0.010 . 1 . . . A 628 ILE HD11 . 18464 1 1095 . 1 1 110 110 ILE HD12 H 1 0.812 0.010 . 1 . . . A 628 ILE HD12 . 18464 1 1096 . 1 1 110 110 ILE HD13 H 1 0.812 0.010 . 1 . . . A 628 ILE HD13 . 18464 1 1097 . 1 1 110 110 ILE C C 13 176.136 0.100 . 1 . . . A 628 ILE C . 18464 1 1098 . 1 1 110 110 ILE CA C 13 60.878 0.100 . 1 . . . A 628 ILE CA . 18464 1 1099 . 1 1 110 110 ILE CB C 13 39.271 0.100 . 1 . . . A 628 ILE CB . 18464 1 1100 . 1 1 110 110 ILE CG1 C 13 27.217 0.100 . 1 . . . A 628 ILE CG1 . 18464 1 1101 . 1 1 110 110 ILE CG2 C 13 17.748 0.100 . 1 . . . A 628 ILE CG2 . 18464 1 1102 . 1 1 110 110 ILE CD1 C 13 13.230 0.100 . 1 . . . A 628 ILE CD1 . 18464 1 1103 . 1 1 110 110 ILE N N 15 118.767 0.100 . 1 . . . A 628 ILE N . 18464 1 1104 . 1 1 111 111 SER H H 1 8.338 0.010 . 1 . . . A 629 SER H . 18464 1 1105 . 1 1 111 111 SER HA H 1 4.453 0.010 . 1 . . . A 629 SER HA . 18464 1 1106 . 1 1 111 111 SER HB2 H 1 3.813 0.010 . 2 . . . A 629 SER HB2 . 18464 1 1107 . 1 1 111 111 SER HB3 H 1 3.813 0.010 . 2 . . . A 629 SER HB3 . 18464 1 1108 . 1 1 111 111 SER C C 13 174.236 0.100 . 1 . . . A 629 SER C . 18464 1 1109 . 1 1 111 111 SER CA C 13 58.393 0.100 . 1 . . . A 629 SER CA . 18464 1 1110 . 1 1 111 111 SER CB C 13 63.776 0.100 . 1 . . . A 629 SER CB . 18464 1 1111 . 1 1 111 111 SER N N 15 119.432 0.100 . 1 . . . A 629 SER N . 18464 1 1112 . 1 1 112 112 GLU H H 1 8.411 0.010 . 1 . . . A 630 GLU H . 18464 1 1113 . 1 1 112 112 GLU HA H 1 4.349 0.010 . 1 . . . A 630 GLU HA . 18464 1 1114 . 1 1 112 112 GLU HG2 H 1 2.257 0.010 . 2 . . . A 630 GLU HG2 . 18464 1 1115 . 1 1 112 112 GLU HG3 H 1 2.257 0.010 . 2 . . . A 630 GLU HG3 . 18464 1 1116 . 1 1 112 112 GLU C C 13 176.323 0.100 . 1 . . . A 630 GLU C . 18464 1 1117 . 1 1 112 112 GLU CA C 13 56.538 0.100 . 1 . . . A 630 GLU CA . 18464 1 1118 . 1 1 112 112 GLU CB C 13 30.468 0.100 . 1 . . . A 630 GLU CB . 18464 1 1119 . 1 1 112 112 GLU CG C 13 36.347 0.100 . 1 . . . A 630 GLU CG . 18464 1 1120 . 1 1 112 112 GLU N N 15 123.280 0.100 . 1 . . . A 630 GLU N . 18464 1 1121 . 1 1 113 113 VAL H H 1 8.203 0.010 . 1 . . . A 631 VAL H . 18464 1 1122 . 1 1 113 113 VAL HA H 1 4.203 0.010 . 1 . . . A 631 VAL HA . 18464 1 1123 . 1 1 113 113 VAL HB H 1 2.108 0.010 . 1 . . . A 631 VAL HB . 18464 1 1124 . 1 1 113 113 VAL HG11 H 1 0.957 0.010 . 2 . . . A 631 VAL HG11 . 18464 1 1125 . 1 1 113 113 VAL HG12 H 1 0.957 0.010 . 2 . . . A 631 VAL HG12 . 18464 1 1126 . 1 1 113 113 VAL HG13 H 1 0.957 0.010 . 2 . . . A 631 VAL HG13 . 18464 1 1127 . 1 1 113 113 VAL HG21 H 1 0.957 0.010 . 2 . . . A 631 VAL HG21 . 18464 1 1128 . 1 1 113 113 VAL HG22 H 1 0.957 0.010 . 2 . . . A 631 VAL HG22 . 18464 1 1129 . 1 1 113 113 VAL HG23 H 1 0.957 0.010 . 2 . . . A 631 VAL HG23 . 18464 1 1130 . 1 1 113 113 VAL C C 13 176.411 0.100 . 1 . . . A 631 VAL C . 18464 1 1131 . 1 1 113 113 VAL CA C 13 62.509 0.100 . 1 . . . A 631 VAL CA . 18464 1 1132 . 1 1 113 113 VAL CB C 13 32.679 0.100 . 1 . . . A 631 VAL CB . 18464 1 1133 . 1 1 113 113 VAL CG1 C 13 21.537 0.100 . 2 . . . A 631 VAL CG1 . 18464 1 1134 . 1 1 113 113 VAL CG2 C 13 20.675 0.100 . 2 . . . A 631 VAL CG2 . 18464 1 1135 . 1 1 113 113 VAL N N 15 121.838 0.100 . 1 . . . A 631 VAL N . 18464 1 1136 . 1 1 114 114 THR H H 1 8.286 0.010 . 1 . . . A 632 THR H . 18464 1 1137 . 1 1 114 114 THR C C 13 174.523 0.100 . 1 . . . A 632 THR C . 18464 1 1138 . 1 1 114 114 THR CA C 13 61.638 0.100 . 1 . . . A 632 THR CA . 18464 1 1139 . 1 1 114 114 THR CB C 13 70.035 0.100 . 1 . . . A 632 THR CB . 18464 1 1140 . 1 1 114 114 THR N N 15 116.733 0.100 . 1 . . . A 632 THR N . 18464 1 1141 . 1 1 115 115 ASP H H 1 8.355 0.010 . 1 . . . A 633 ASP H . 18464 1 1142 . 1 1 115 115 ASP HA H 1 4.610 0.010 . 1 . . . A 633 ASP HA . 18464 1 1143 . 1 1 115 115 ASP HB2 H 1 2.743 0.010 . 2 . . . A 633 ASP HB2 . 18464 1 1144 . 1 1 115 115 ASP HB3 H 1 2.721 0.010 . 2 . . . A 633 ASP HB3 . 18464 1 1145 . 1 1 115 115 ASP C C 13 175.472 0.100 . 1 . . . A 633 ASP C . 18464 1 1146 . 1 1 115 115 ASP CA C 13 54.370 0.100 . 1 . . . A 633 ASP CA . 18464 1 1147 . 1 1 115 115 ASP CB C 13 40.856 0.100 . 1 . . . A 633 ASP CB . 18464 1 1148 . 1 1 115 115 ASP N N 15 121.548 0.100 . 1 . . . A 633 ASP N . 18464 1 1149 . 1 1 116 116 ARG H H 1 7.767 0.010 . 1 . . . A 634 ARG H . 18464 1 1150 . 1 1 116 116 ARG HA H 1 4.420 0.010 . 1 . . . A 634 ARG HA . 18464 1 1151 . 1 1 116 116 ARG HB2 H 1 1.902 0.010 . 2 . . . A 634 ARG HB2 . 18464 1 1152 . 1 1 116 116 ARG HB3 H 1 1.726 0.010 . 2 . . . A 634 ARG HB3 . 18464 1 1153 . 1 1 116 116 ARG HG2 H 1 1.546 0.010 . 2 . . . A 634 ARG HG2 . 18464 1 1154 . 1 1 116 116 ARG HG3 H 1 1.498 0.010 . 2 . . . A 634 ARG HG3 . 18464 1 1155 . 1 1 116 116 ARG HD2 H 1 3.167 0.010 . 2 . . . A 634 ARG HD2 . 18464 1 1156 . 1 1 116 116 ARG HD3 H 1 3.167 0.010 . 2 . . . A 634 ARG HD3 . 18464 1 1157 . 1 1 116 116 ARG C C 13 175.259 0.100 . 1 . . . A 634 ARG C . 18464 1 1158 . 1 1 116 116 ARG CA C 13 55.504 0.100 . 1 . . . A 634 ARG CA . 18464 1 1159 . 1 1 116 116 ARG CB C 13 31.159 0.100 . 1 . . . A 634 ARG CB . 18464 1 1160 . 1 1 116 116 ARG CG C 13 26.496 0.100 . 1 . . . A 634 ARG CG . 18464 1 1161 . 1 1 116 116 ARG CD C 13 43.416 0.100 . 1 . . . A 634 ARG CD . 18464 1 1162 . 1 1 116 116 ARG N N 15 118.365 0.100 . 1 . . . A 634 ARG N . 18464 1 1163 . 1 1 117 117 LYS H H 1 8.315 0.010 . 1 . . . A 635 LYS H . 18464 1 1164 . 1 1 117 117 LYS HA H 1 4.328 0.010 . 1 . . . A 635 LYS HA . 18464 1 1165 . 1 1 117 117 LYS HB2 H 1 1.793 0.010 . 2 . . . A 635 LYS HB2 . 18464 1 1166 . 1 1 117 117 LYS HB3 H 1 1.793 0.010 . 2 . . . A 635 LYS HB3 . 18464 1 1167 . 1 1 117 117 LYS HG2 H 1 1.482 0.010 . 2 . . . A 635 LYS HG2 . 18464 1 1168 . 1 1 117 117 LYS HG3 H 1 1.482 0.010 . 2 . . . A 635 LYS HG3 . 18464 1 1169 . 1 1 117 117 LYS HD2 H 1 1.714 0.010 . 2 . . . A 635 LYS HD2 . 18464 1 1170 . 1 1 117 117 LYS HD3 H 1 1.714 0.010 . 2 . . . A 635 LYS HD3 . 18464 1 1171 . 1 1 117 117 LYS HE2 H 1 3.041 0.010 . 2 . . . A 635 LYS HE2 . 18464 1 1172 . 1 1 117 117 LYS HE3 H 1 3.041 0.010 . 2 . . . A 635 LYS HE3 . 18464 1 1173 . 1 1 117 117 LYS C C 13 176.757 0.100 . 1 . . . A 635 LYS C . 18464 1 1174 . 1 1 117 117 LYS CA C 13 56.207 0.100 . 1 . . . A 635 LYS CA . 18464 1 1175 . 1 1 117 117 LYS CB C 13 32.705 0.100 . 1 . . . A 635 LYS CB . 18464 1 1176 . 1 1 117 117 LYS CG C 13 24.744 0.100 . 1 . . . A 635 LYS CG . 18464 1 1177 . 1 1 117 117 LYS CD C 13 29.142 0.100 . 1 . . . A 635 LYS CD . 18464 1 1178 . 1 1 117 117 LYS CE C 13 42.260 0.100 . 1 . . . A 635 LYS CE . 18464 1 1179 . 1 1 117 117 LYS N N 15 121.629 0.100 . 1 . . . A 635 LYS N . 18464 1 1180 . 1 1 118 118 LEU H H 1 8.367 0.010 . 1 . . . A 636 LEU H . 18464 1 1181 . 1 1 118 118 LEU HA H 1 4.526 0.010 . 1 . . . A 636 LEU HA . 18464 1 1182 . 1 1 118 118 LEU HB2 H 1 1.756 0.010 . 2 . . . A 636 LEU HB2 . 18464 1 1183 . 1 1 118 118 LEU HB3 H 1 1.704 0.010 . 2 . . . A 636 LEU HB3 . 18464 1 1184 . 1 1 118 118 LEU HG H 1 1.770 0.010 . 1 . . . A 636 LEU HG . 18464 1 1185 . 1 1 118 118 LEU HD11 H 1 0.917 0.010 . 2 . . . A 636 LEU HD11 . 18464 1 1186 . 1 1 118 118 LEU HD12 H 1 0.917 0.010 . 2 . . . A 636 LEU HD12 . 18464 1 1187 . 1 1 118 118 LEU HD13 H 1 0.917 0.010 . 2 . . . A 636 LEU HD13 . 18464 1 1188 . 1 1 118 118 LEU HD21 H 1 0.847 0.010 . 2 . . . A 636 LEU HD21 . 18464 1 1189 . 1 1 118 118 LEU HD22 H 1 0.847 0.010 . 2 . . . A 636 LEU HD22 . 18464 1 1190 . 1 1 118 118 LEU HD23 H 1 0.847 0.010 . 2 . . . A 636 LEU HD23 . 18464 1 1191 . 1 1 118 118 LEU C C 13 178.439 0.100 . 1 . . . A 636 LEU C . 18464 1 1192 . 1 1 118 118 LEU CA C 13 55.062 0.100 . 1 . . . A 636 LEU CA . 18464 1 1193 . 1 1 118 118 LEU CB C 13 42.534 0.100 . 1 . . . A 636 LEU CB . 18464 1 1194 . 1 1 118 118 LEU CG C 13 27.447 0.100 . 1 . . . A 636 LEU CG . 18464 1 1195 . 1 1 118 118 LEU CD1 C 13 25.456 0.100 . 2 . . . A 636 LEU CD1 . 18464 1 1196 . 1 1 118 118 LEU CD2 C 13 23.123 0.100 . 2 . . . A 636 LEU CD2 . 18464 1 1197 . 1 1 118 118 LEU N N 15 124.700 0.100 . 1 . . . A 636 LEU N . 18464 1 1198 . 1 1 119 119 THR H H 1 8.790 0.010 . 1 . . . A 637 THR H . 18464 1 1199 . 1 1 119 119 THR HA H 1 4.453 0.010 . 1 . . . A 637 THR HA . 18464 1 1200 . 1 1 119 119 THR HB H 1 4.627 0.010 . 1 . . . A 637 THR HB . 18464 1 1201 . 1 1 119 119 THR HG21 H 1 1.332 0.010 . 1 . . . A 637 THR HG21 . 18464 1 1202 . 1 1 119 119 THR HG22 H 1 1.332 0.010 . 1 . . . A 637 THR HG22 . 18464 1 1203 . 1 1 119 119 THR HG23 H 1 1.332 0.010 . 1 . . . A 637 THR HG23 . 18464 1 1204 . 1 1 119 119 THR C C 13 175.386 0.100 . 1 . . . A 637 THR C . 18464 1 1205 . 1 1 119 119 THR CA C 13 61.340 0.100 . 1 . . . A 637 THR CA . 18464 1 1206 . 1 1 119 119 THR CB C 13 70.821 0.100 . 1 . . . A 637 THR CB . 18464 1 1207 . 1 1 119 119 THR CG2 C 13 21.904 0.100 . 1 . . . A 637 THR CG2 . 18464 1 1208 . 1 1 119 119 THR N N 15 114.124 0.100 . 1 . . . A 637 THR N . 18464 1 1209 . 1 1 120 120 VAL H H 1 8.434 0.010 . 1 . . . A 638 VAL H . 18464 1 1210 . 1 1 120 120 VAL HA H 1 3.974 0.010 . 1 . . . A 638 VAL HA . 18464 1 1211 . 1 1 120 120 VAL HB H 1 2.120 0.010 . 1 . . . A 638 VAL HB . 18464 1 1212 . 1 1 120 120 VAL HG11 H 1 1.066 0.010 . 2 . . . A 638 VAL HG11 . 18464 1 1213 . 1 1 120 120 VAL HG12 H 1 1.066 0.010 . 2 . . . A 638 VAL HG12 . 18464 1 1214 . 1 1 120 120 VAL HG13 H 1 1.066 0.010 . 2 . . . A 638 VAL HG13 . 18464 1 1215 . 1 1 120 120 VAL HG21 H 1 1.026 0.010 . 2 . . . A 638 VAL HG21 . 18464 1 1216 . 1 1 120 120 VAL HG22 H 1 1.026 0.010 . 2 . . . A 638 VAL HG22 . 18464 1 1217 . 1 1 120 120 VAL HG23 H 1 1.026 0.010 . 2 . . . A 638 VAL HG23 . 18464 1 1218 . 1 1 120 120 VAL C C 13 178.076 0.100 . 1 . . . A 638 VAL C . 18464 1 1219 . 1 1 120 120 VAL CA C 13 65.198 0.100 . 1 . . . A 638 VAL CA . 18464 1 1220 . 1 1 120 120 VAL CB C 13 32.024 0.100 . 1 . . . A 638 VAL CB . 18464 1 1221 . 1 1 120 120 VAL CG1 C 13 21.369 0.100 . 2 . . . A 638 VAL CG1 . 18464 1 1222 . 1 1 120 120 VAL CG2 C 13 21.352 0.100 . 2 . . . A 638 VAL CG2 . 18464 1 1223 . 1 1 120 120 VAL N N 15 120.499 0.100 . 1 . . . A 638 VAL N . 18464 1 1224 . 1 1 121 121 GLU H H 1 8.605 0.010 . 1 . . . A 639 GLU H . 18464 1 1225 . 1 1 121 121 GLU HA H 1 4.177 0.010 . 1 . . . A 639 GLU HA . 18464 1 1226 . 1 1 121 121 GLU HB2 H 1 2.059 0.010 . 2 . . . A 639 GLU HB2 . 18464 1 1227 . 1 1 121 121 GLU HB3 H 1 2.059 0.010 . 2 . . . A 639 GLU HB3 . 18464 1 1228 . 1 1 121 121 GLU HG2 H 1 2.417 0.010 . 2 . . . A 639 GLU HG2 . 18464 1 1229 . 1 1 121 121 GLU HG3 H 1 2.338 0.010 . 2 . . . A 639 GLU HG3 . 18464 1 1230 . 1 1 121 121 GLU C C 13 179.289 0.100 . 1 . . . A 639 GLU C . 18464 1 1231 . 1 1 121 121 GLU CA C 13 59.355 0.100 . 1 . . . A 639 GLU CA . 18464 1 1232 . 1 1 121 121 GLU CB C 13 29.356 0.100 . 1 . . . A 639 GLU CB . 18464 1 1233 . 1 1 121 121 GLU CG C 13 36.935 0.100 . 1 . . . A 639 GLU CG . 18464 1 1234 . 1 1 121 121 GLU N N 15 120.927 0.100 . 1 . . . A 639 GLU N . 18464 1 1235 . 1 1 122 122 GLU H H 1 8.030 0.010 . 1 . . . A 640 GLU H . 18464 1 1236 . 1 1 122 122 GLU HA H 1 4.087 0.010 . 1 . . . A 640 GLU HA . 18464 1 1237 . 1 1 122 122 GLU HB2 H 1 2.358 0.010 . 2 . . . A 640 GLU HB2 . 18464 1 1238 . 1 1 122 122 GLU HB3 H 1 2.358 0.010 . 2 . . . A 640 GLU HB3 . 18464 1 1239 . 1 1 122 122 GLU HG2 H 1 2.396 0.010 . 2 . . . A 640 GLU HG2 . 18464 1 1240 . 1 1 122 122 GLU HG3 H 1 2.283 0.010 . 2 . . . A 640 GLU HG3 . 18464 1 1241 . 1 1 122 122 GLU C C 13 179.220 0.100 . 1 . . . A 640 GLU C . 18464 1 1242 . 1 1 122 122 GLU CA C 13 58.880 0.100 . 1 . . . A 640 GLU CA . 18464 1 1243 . 1 1 122 122 GLU CB C 13 30.705 0.100 . 1 . . . A 640 GLU CB . 18464 1 1244 . 1 1 122 122 GLU CG C 13 37.255 0.100 . 1 . . . A 640 GLU CG . 18464 1 1245 . 1 1 122 122 GLU N N 15 121.569 0.100 . 1 . . . A 640 GLU N . 18464 1 1246 . 1 1 123 123 GLU H H 1 8.704 0.010 . 1 . . . A 641 GLU H . 18464 1 1247 . 1 1 123 123 GLU HA H 1 4.038 0.010 . 1 . . . A 641 GLU HA . 18464 1 1248 . 1 1 123 123 GLU HB2 H 1 2.194 0.010 . 2 . . . A 641 GLU HB2 . 18464 1 1249 . 1 1 123 123 GLU HB3 H 1 2.113 0.010 . 2 . . . A 641 GLU HB3 . 18464 1 1250 . 1 1 123 123 GLU HG2 H 1 2.377 0.010 . 2 . . . A 641 GLU HG2 . 18464 1 1251 . 1 1 123 123 GLU HG3 H 1 2.273 0.010 . 2 . . . A 641 GLU HG3 . 18464 1 1252 . 1 1 123 123 GLU C C 13 179.216 0.100 . 1 . . . A 641 GLU C . 18464 1 1253 . 1 1 123 123 GLU CA C 13 59.503 0.100 . 1 . . . A 641 GLU CA . 18464 1 1254 . 1 1 123 123 GLU CB C 13 29.494 0.100 . 1 . . . A 641 GLU CB . 18464 1 1255 . 1 1 123 123 GLU CG C 13 36.460 0.100 . 1 . . . A 641 GLU CG . 18464 1 1256 . 1 1 123 123 GLU N N 15 121.178 0.100 . 1 . . . A 641 GLU N . 18464 1 1257 . 1 1 124 124 GLU H H 1 8.115 0.010 . 1 . . . A 642 GLU H . 18464 1 1258 . 1 1 124 124 GLU HA H 1 4.193 0.010 . 1 . . . A 642 GLU HA . 18464 1 1259 . 1 1 124 124 GLU HB2 H 1 2.158 0.010 . 2 . . . A 642 GLU HB2 . 18464 1 1260 . 1 1 124 124 GLU HB3 H 1 2.158 0.010 . 2 . . . A 642 GLU HB3 . 18464 1 1261 . 1 1 124 124 GLU HG2 H 1 2.328 0.010 . 2 . . . A 642 GLU HG2 . 18464 1 1262 . 1 1 124 124 GLU HG3 H 1 2.328 0.010 . 2 . . . A 642 GLU HG3 . 18464 1 1263 . 1 1 124 124 GLU C C 13 178.111 0.100 . 1 . . . A 642 GLU C . 18464 1 1264 . 1 1 124 124 GLU CA C 13 58.929 0.100 . 1 . . . A 642 GLU CA . 18464 1 1265 . 1 1 124 124 GLU CB C 13 29.366 0.100 . 1 . . . A 642 GLU CB . 18464 1 1266 . 1 1 124 124 GLU CG C 13 35.841 0.100 . 1 . . . A 642 GLU CG . 18464 1 1267 . 1 1 124 124 GLU N N 15 120.728 0.100 . 1 . . . A 642 GLU N . 18464 1 1268 . 1 1 125 125 ALA H H 1 7.934 0.010 . 1 . . . A 643 ALA H . 18464 1 1269 . 1 1 125 125 ALA HA H 1 4.078 0.010 . 1 . . . A 643 ALA HA . 18464 1 1270 . 1 1 125 125 ALA HB1 H 1 1.500 0.010 . 1 . . . A 643 ALA HB1 . 18464 1 1271 . 1 1 125 125 ALA HB2 H 1 1.500 0.010 . 1 . . . A 643 ALA HB2 . 18464 1 1272 . 1 1 125 125 ALA HB3 H 1 1.500 0.010 . 1 . . . A 643 ALA HB3 . 18464 1 1273 . 1 1 125 125 ALA C C 13 180.406 0.100 . 1 . . . A 643 ALA C . 18464 1 1274 . 1 1 125 125 ALA CA C 13 54.985 0.100 . 1 . . . A 643 ALA CA . 18464 1 1275 . 1 1 125 125 ALA CB C 13 18.126 0.100 . 1 . . . A 643 ALA CB . 18464 1 1276 . 1 1 125 125 ALA N N 15 121.287 0.100 . 1 . . . A 643 ALA N . 18464 1 1277 . 1 1 126 126 LYS H H 1 7.976 0.010 . 1 . . . A 644 LYS H . 18464 1 1278 . 1 1 126 126 LYS HA H 1 4.077 0.010 . 1 . . . A 644 LYS HA . 18464 1 1279 . 1 1 126 126 LYS HB2 H 1 1.987 0.010 . 2 . . . A 644 LYS HB2 . 18464 1 1280 . 1 1 126 126 LYS HB3 H 1 1.894 0.010 . 2 . . . A 644 LYS HB3 . 18464 1 1281 . 1 1 126 126 LYS HG2 H 1 1.553 0.010 . 2 . . . A 644 LYS HG2 . 18464 1 1282 . 1 1 126 126 LYS HG3 H 1 1.420 0.010 . 2 . . . A 644 LYS HG3 . 18464 1 1283 . 1 1 126 126 LYS C C 13 177.962 0.100 . 1 . . . A 644 LYS C . 18464 1 1284 . 1 1 126 126 LYS CA C 13 59.112 0.100 . 1 . . . A 644 LYS CA . 18464 1 1285 . 1 1 126 126 LYS CB C 13 32.615 0.100 . 1 . . . A 644 LYS CB . 18464 1 1286 . 1 1 126 126 LYS CG C 13 25.060 0.100 . 1 . . . A 644 LYS CG . 18464 1 1287 . 1 1 126 126 LYS CD C 13 29.693 0.100 . 1 . . . A 644 LYS CD . 18464 1 1288 . 1 1 126 126 LYS CE C 13 42.163 0.100 . 1 . . . A 644 LYS CE . 18464 1 1289 . 1 1 126 126 LYS N N 15 119.267 0.100 . 1 . . . A 644 LYS N . 18464 1 1290 . 1 1 127 127 ARG H H 1 7.858 0.010 . 1 . . . A 645 ARG H . 18464 1 1291 . 1 1 127 127 ARG HA H 1 4.144 0.010 . 1 . . . A 645 ARG HA . 18464 1 1292 . 1 1 127 127 ARG HB2 H 1 1.999 0.010 . 2 . . . A 645 ARG HB2 . 18464 1 1293 . 1 1 127 127 ARG HB3 H 1 1.999 0.010 . 2 . . . A 645 ARG HB3 . 18464 1 1294 . 1 1 127 127 ARG HG2 H 1 1.785 0.010 . 2 . . . A 645 ARG HG2 . 18464 1 1295 . 1 1 127 127 ARG HG3 H 1 1.615 0.010 . 2 . . . A 645 ARG HG3 . 18464 1 1296 . 1 1 127 127 ARG HD2 H 1 3.297 0.010 . 2 . . . A 645 ARG HD2 . 18464 1 1297 . 1 1 127 127 ARG HD3 H 1 3.228 0.010 . 2 . . . A 645 ARG HD3 . 18464 1 1298 . 1 1 127 127 ARG C C 13 179.120 0.100 . 1 . . . A 645 ARG C . 18464 1 1299 . 1 1 127 127 ARG CA C 13 59.061 0.100 . 1 . . . A 645 ARG CA . 18464 1 1300 . 1 1 127 127 ARG CB C 13 30.373 0.100 . 1 . . . A 645 ARG CB . 18464 1 1301 . 1 1 127 127 ARG CG C 13 27.713 0.100 . 1 . . . A 645 ARG CG . 18464 1 1302 . 1 1 127 127 ARG CD C 13 43.402 0.100 . 1 . . . A 645 ARG CD . 18464 1 1303 . 1 1 127 127 ARG N N 15 119.852 0.100 . 1 . . . A 645 ARG N . 18464 1 1304 . 1 1 128 128 ILE H H 1 8.062 0.010 . 1 . . . A 646 ILE H . 18464 1 1305 . 1 1 128 128 ILE HA H 1 3.852 0.010 . 1 . . . A 646 ILE HA . 18464 1 1306 . 1 1 128 128 ILE HB H 1 1.911 0.010 . 1 . . . A 646 ILE HB . 18464 1 1307 . 1 1 128 128 ILE HG12 H 1 1.634 0.010 . 1 . . . A 646 ILE HG12 . 18464 1 1308 . 1 1 128 128 ILE HG13 H 1 1.206 0.010 . 1 . . . A 646 ILE HG13 . 18464 1 1309 . 1 1 128 128 ILE HG21 H 1 0.898 0.010 . 1 . . . A 646 ILE HG21 . 18464 1 1310 . 1 1 128 128 ILE HG22 H 1 0.898 0.010 . 1 . . . A 646 ILE HG22 . 18464 1 1311 . 1 1 128 128 ILE HG23 H 1 0.898 0.010 . 1 . . . A 646 ILE HG23 . 18464 1 1312 . 1 1 128 128 ILE HD11 H 1 0.817 0.010 . 1 . . . A 646 ILE HD11 . 18464 1 1313 . 1 1 128 128 ILE HD12 H 1 0.817 0.010 . 1 . . . A 646 ILE HD12 . 18464 1 1314 . 1 1 128 128 ILE HD13 H 1 0.817 0.010 . 1 . . . A 646 ILE HD13 . 18464 1 1315 . 1 1 128 128 ILE C C 13 178.465 0.100 . 1 . . . A 646 ILE C . 18464 1 1316 . 1 1 128 128 ILE CA C 13 63.897 0.100 . 1 . . . A 646 ILE CA . 18464 1 1317 . 1 1 128 128 ILE CB C 13 38.099 0.100 . 1 . . . A 646 ILE CB . 18464 1 1318 . 1 1 128 128 ILE CG1 C 13 28.696 0.100 . 1 . . . A 646 ILE CG1 . 18464 1 1319 . 1 1 128 128 ILE CG2 C 13 17.480 0.100 . 1 . . . A 646 ILE CG2 . 18464 1 1320 . 1 1 128 128 ILE CD1 C 13 12.982 0.100 . 1 . . . A 646 ILE CD1 . 18464 1 1321 . 1 1 128 128 ILE N N 15 119.154 0.100 . 1 . . . A 646 ILE N . 18464 1 1322 . 1 1 129 129 ALA H H 1 7.982 0.010 . 1 . . . A 647 ALA H . 18464 1 1323 . 1 1 129 129 ALA HA H 1 4.250 0.010 . 1 . . . A 647 ALA HA . 18464 1 1324 . 1 1 129 129 ALA HB1 H 1 1.517 0.010 . 1 . . . A 647 ALA HB1 . 18464 1 1325 . 1 1 129 129 ALA HB2 H 1 1.517 0.010 . 1 . . . A 647 ALA HB2 . 18464 1 1326 . 1 1 129 129 ALA HB3 H 1 1.517 0.010 . 1 . . . A 647 ALA HB3 . 18464 1 1327 . 1 1 129 129 ALA C C 13 179.661 0.100 . 1 . . . A 647 ALA C . 18464 1 1328 . 1 1 129 129 ALA CA C 13 54.612 0.100 . 1 . . . A 647 ALA CA . 18464 1 1329 . 1 1 129 129 ALA CB C 13 18.442 0.100 . 1 . . . A 647 ALA CB . 18464 1 1330 . 1 1 129 129 ALA N N 15 123.362 0.100 . 1 . . . A 647 ALA N . 18464 1 1331 . 1 1 130 130 GLU H H 1 8.003 0.010 . 1 . . . A 648 GLU H . 18464 1 1332 . 1 1 130 130 GLU HA H 1 4.255 0.010 . 1 . . . A 648 GLU HA . 18464 1 1333 . 1 1 130 130 GLU HB2 H 1 2.180 0.010 . 2 . . . A 648 GLU HB2 . 18464 1 1334 . 1 1 130 130 GLU HB3 H 1 2.180 0.010 . 2 . . . A 648 GLU HB3 . 18464 1 1335 . 1 1 130 130 GLU HG2 H 1 2.500 0.010 . 2 . . . A 648 GLU HG2 . 18464 1 1336 . 1 1 130 130 GLU HG3 H 1 2.500 0.010 . 2 . . . A 648 GLU HG3 . 18464 1 1337 . 1 1 130 130 GLU C C 13 178.120 0.100 . 1 . . . A 648 GLU C . 18464 1 1338 . 1 1 130 130 GLU CA C 13 58.045 0.100 . 1 . . . A 648 GLU CA . 18464 1 1339 . 1 1 130 130 GLU CB C 13 29.968 0.100 . 1 . . . A 648 GLU CB . 18464 1 1340 . 1 1 130 130 GLU CG C 13 36.684 0.100 . 1 . . . A 648 GLU CG . 18464 1 1341 . 1 1 130 130 GLU N N 15 116.558 0.100 . 1 . . . A 648 GLU N . 18464 1 1342 . 1 1 131 131 MET H H 1 7.891 0.010 . 1 . . . A 649 MET H . 18464 1 1343 . 1 1 131 131 MET HA H 1 4.341 0.010 . 1 . . . A 649 MET HA . 18464 1 1344 . 1 1 131 131 MET HB2 H 1 2.157 0.010 . 2 . . . A 649 MET HB2 . 18464 1 1345 . 1 1 131 131 MET HB3 H 1 2.120 0.010 . 2 . . . A 649 MET HB3 . 18464 1 1346 . 1 1 131 131 MET HG2 H 1 2.754 0.010 . 2 . . . A 649 MET HG2 . 18464 1 1347 . 1 1 131 131 MET HG3 H 1 2.615 0.010 . 2 . . . A 649 MET HG3 . 18464 1 1348 . 1 1 131 131 MET C C 13 177.201 0.100 . 1 . . . A 649 MET C . 18464 1 1349 . 1 1 131 131 MET CA C 13 57.171 0.100 . 1 . . . A 649 MET CA . 18464 1 1350 . 1 1 131 131 MET CB C 13 32.859 0.100 . 1 . . . A 649 MET CB . 18464 1 1351 . 1 1 131 131 MET CG C 13 32.226 0.100 . 1 . . . A 649 MET CG . 18464 1 1352 . 1 1 131 131 MET N N 15 118.063 0.100 . 1 . . . A 649 MET N . 18464 1 1353 . 1 1 132 132 GLY H H 1 8.101 0.010 . 1 . . . A 650 GLY H . 18464 1 1354 . 1 1 132 132 GLY HA2 H 1 3.715 0.010 . 2 . . . A 650 GLY HA2 . 18464 1 1355 . 1 1 132 132 GLY HA3 H 1 3.451 0.010 . 2 . . . A 650 GLY HA3 . 18464 1 1356 . 1 1 132 132 GLY C C 13 171.582 0.100 . 1 . . . A 650 GLY C . 18464 1 1357 . 1 1 132 132 GLY CA C 13 45.352 0.100 . 1 . . . A 650 GLY CA . 18464 1 1358 . 1 1 132 132 GLY N N 15 108.539 0.100 . 1 . . . A 650 GLY N . 18464 1 1359 . 1 1 133 133 LYS H H 1 6.851 0.010 . 1 . . . A 651 LYS H . 18464 1 1360 . 1 1 133 133 LYS HA H 1 3.474 0.010 . 1 . . . A 651 LYS HA . 18464 1 1361 . 1 1 133 133 LYS HB2 H 1 1.842 0.010 . 2 . . . A 651 LYS HB2 . 18464 1 1362 . 1 1 133 133 LYS HB3 H 1 1.842 0.010 . 2 . . . A 651 LYS HB3 . 18464 1 1363 . 1 1 133 133 LYS HG2 H 1 1.558 0.010 . 2 . . . A 651 LYS HG2 . 18464 1 1364 . 1 1 133 133 LYS HG3 H 1 1.408 0.010 . 2 . . . A 651 LYS HG3 . 18464 1 1365 . 1 1 133 133 LYS HD2 H 1 1.792 0.010 . 2 . . . A 651 LYS HD2 . 18464 1 1366 . 1 1 133 133 LYS HD3 H 1 1.792 0.010 . 2 . . . A 651 LYS HD3 . 18464 1 1367 . 1 1 133 133 LYS HE2 H 1 3.084 0.010 . 2 . . . A 651 LYS HE2 . 18464 1 1368 . 1 1 133 133 LYS HE3 H 1 3.084 0.010 . 2 . . . A 651 LYS HE3 . 18464 1 1369 . 1 1 133 133 LYS CA C 13 54.441 0.100 . 1 . . . A 651 LYS CA . 18464 1 1370 . 1 1 133 133 LYS CB C 13 31.510 0.100 . 1 . . . A 651 LYS CB . 18464 1 1371 . 1 1 133 133 LYS CG C 13 24.198 0.100 . 1 . . . A 651 LYS CG . 18464 1 1372 . 1 1 133 133 LYS CD C 13 29.834 0.100 . 1 . . . A 651 LYS CD . 18464 1 1373 . 1 1 133 133 LYS CE C 13 42.319 0.100 . 1 . . . A 651 LYS CE . 18464 1 1374 . 1 1 133 133 LYS N N 15 118.050 0.100 . 1 . . . A 651 LYS N . 18464 1 1375 . 1 1 134 134 PRO HA H 1 5.201 0.010 . 1 . . . A 652 PRO HA . 18464 1 1376 . 1 1 134 134 PRO HB2 H 1 1.590 0.010 . 2 . . . A 652 PRO HB2 . 18464 1 1377 . 1 1 134 134 PRO HB3 H 1 1.875 0.010 . 2 . . . A 652 PRO HB3 . 18464 1 1378 . 1 1 134 134 PRO HG2 H 1 1.906 0.010 . 2 . . . A 652 PRO HG2 . 18464 1 1379 . 1 1 134 134 PRO HG3 H 1 1.481 0.010 . 2 . . . A 652 PRO HG3 . 18464 1 1380 . 1 1 134 134 PRO HD2 H 1 3.463 0.010 . 2 . . . A 652 PRO HD2 . 18464 1 1381 . 1 1 134 134 PRO HD3 H 1 2.341 0.010 . 2 . . . A 652 PRO HD3 . 18464 1 1382 . 1 1 134 134 PRO C C 13 176.376 0.100 . 1 . . . A 652 PRO C . 18464 1 1383 . 1 1 134 134 PRO CA C 13 62.151 0.100 . 1 . . . A 652 PRO CA . 18464 1 1384 . 1 1 134 134 PRO CB C 13 32.731 0.100 . 1 . . . A 652 PRO CB . 18464 1 1385 . 1 1 134 134 PRO CG C 13 27.037 0.100 . 1 . . . A 652 PRO CG . 18464 1 1386 . 1 1 134 134 PRO CD C 13 48.699 0.100 . 1 . . . A 652 PRO CD . 18464 1 1387 . 1 1 135 135 VAL H H 1 8.045 0.010 . 1 . . . A 653 VAL H . 18464 1 1388 . 1 1 135 135 VAL HA H 1 4.733 0.010 . 1 . . . A 653 VAL HA . 18464 1 1389 . 1 1 135 135 VAL HB H 1 2.353 0.010 . 1 . . . A 653 VAL HB . 18464 1 1390 . 1 1 135 135 VAL HG11 H 1 0.933 0.010 . 2 . . . A 653 VAL HG11 . 18464 1 1391 . 1 1 135 135 VAL HG12 H 1 0.933 0.010 . 2 . . . A 653 VAL HG12 . 18464 1 1392 . 1 1 135 135 VAL HG13 H 1 0.933 0.010 . 2 . . . A 653 VAL HG13 . 18464 1 1393 . 1 1 135 135 VAL HG21 H 1 0.800 0.010 . 2 . . . A 653 VAL HG21 . 18464 1 1394 . 1 1 135 135 VAL HG22 H 1 0.800 0.010 . 2 . . . A 653 VAL HG22 . 18464 1 1395 . 1 1 135 135 VAL HG23 H 1 0.800 0.010 . 2 . . . A 653 VAL HG23 . 18464 1 1396 . 1 1 135 135 VAL C C 13 175.388 0.100 . 1 . . . A 653 VAL C . 18464 1 1397 . 1 1 135 135 VAL CA C 13 59.019 0.100 . 1 . . . A 653 VAL CA . 18464 1 1398 . 1 1 135 135 VAL CB C 13 37.544 0.100 . 1 . . . A 653 VAL CB . 18464 1 1399 . 1 1 135 135 VAL CG1 C 13 22.271 0.100 . 2 . . . A 653 VAL CG1 . 18464 1 1400 . 1 1 135 135 VAL CG2 C 13 19.225 0.100 . 2 . . . A 653 VAL CG2 . 18464 1 1401 . 1 1 135 135 VAL N N 15 111.326 0.100 . 1 . . . A 653 VAL N . 18464 1 1402 . 1 1 136 136 LEU H H 1 8.688 0.010 . 1 . . . A 654 LEU H . 18464 1 1403 . 1 1 136 136 LEU HA H 1 5.003 0.010 . 1 . . . A 654 LEU HA . 18464 1 1404 . 1 1 136 136 LEU HB2 H 1 2.042 0.010 . 2 . . . A 654 LEU HB2 . 18464 1 1405 . 1 1 136 136 LEU HB3 H 1 1.356 0.010 . 2 . . . A 654 LEU HB3 . 18464 1 1406 . 1 1 136 136 LEU HG H 1 1.724 0.010 . 1 . . . A 654 LEU HG . 18464 1 1407 . 1 1 136 136 LEU HD11 H 1 0.906 0.010 . 2 . . . A 654 LEU HD11 . 18464 1 1408 . 1 1 136 136 LEU HD12 H 1 0.906 0.010 . 2 . . . A 654 LEU HD12 . 18464 1 1409 . 1 1 136 136 LEU HD13 H 1 0.906 0.010 . 2 . . . A 654 LEU HD13 . 18464 1 1410 . 1 1 136 136 LEU HD21 H 1 0.934 0.010 . 2 . . . A 654 LEU HD21 . 18464 1 1411 . 1 1 136 136 LEU HD22 H 1 0.934 0.010 . 2 . . . A 654 LEU HD22 . 18464 1 1412 . 1 1 136 136 LEU HD23 H 1 0.934 0.010 . 2 . . . A 654 LEU HD23 . 18464 1 1413 . 1 1 136 136 LEU C C 13 178.278 0.100 . 1 . . . A 654 LEU C . 18464 1 1414 . 1 1 136 136 LEU CA C 13 54.433 0.100 . 1 . . . A 654 LEU CA . 18464 1 1415 . 1 1 136 136 LEU CB C 13 43.171 0.100 . 1 . . . A 654 LEU CB . 18464 1 1416 . 1 1 136 136 LEU CG C 13 27.481 0.100 . 1 . . . A 654 LEU CG . 18464 1 1417 . 1 1 136 136 LEU CD1 C 13 25.357 0.100 . 2 . . . A 654 LEU CD1 . 18464 1 1418 . 1 1 136 136 LEU CD2 C 13 22.737 0.100 . 2 . . . A 654 LEU CD2 . 18464 1 1419 . 1 1 136 136 LEU N N 15 120.185 0.100 . 1 . . . A 654 LEU N . 18464 1 1420 . 1 1 137 137 GLY H H 1 8.834 0.010 . 1 . . . A 655 GLY H . 18464 1 1421 . 1 1 137 137 GLY HA2 H 1 4.170 0.010 . 2 . . . A 655 GLY HA2 . 18464 1 1422 . 1 1 137 137 GLY HA3 H 1 3.182 0.010 . 2 . . . A 655 GLY HA3 . 18464 1 1423 . 1 1 137 137 GLY C C 13 174.170 0.100 . 1 . . . A 655 GLY C . 18464 1 1424 . 1 1 137 137 GLY CA C 13 44.245 0.100 . 1 . . . A 655 GLY CA . 18464 1 1425 . 1 1 137 137 GLY N N 15 108.421 0.100 . 1 . . . A 655 GLY N . 18464 1 1426 . 1 1 138 138 GLU H H 1 8.744 0.010 . 1 . . . A 656 GLU H . 18464 1 1427 . 1 1 138 138 GLU HA H 1 3.728 0.010 . 1 . . . A 656 GLU HA . 18464 1 1428 . 1 1 138 138 GLU HB2 H 1 1.627 0.010 . 2 . . . A 656 GLU HB2 . 18464 1 1429 . 1 1 138 138 GLU HB3 H 1 1.389 0.010 . 2 . . . A 656 GLU HB3 . 18464 1 1430 . 1 1 138 138 GLU HG2 H 1 1.932 0.010 . 2 . . . A 656 GLU HG2 . 18464 1 1431 . 1 1 138 138 GLU HG3 H 1 1.798 0.010 . 2 . . . A 656 GLU HG3 . 18464 1 1432 . 1 1 138 138 GLU C C 13 176.258 0.100 . 1 . . . A 656 GLU C . 18464 1 1433 . 1 1 138 138 GLU CA C 13 59.290 0.100 . 1 . . . A 656 GLU CA . 18464 1 1434 . 1 1 138 138 GLU CB C 13 30.295 0.100 . 1 . . . A 656 GLU CB . 18464 1 1435 . 1 1 138 138 GLU CG C 13 36.033 0.100 . 1 . . . A 656 GLU CG . 18464 1 1436 . 1 1 138 138 GLU N N 15 120.940 0.100 . 1 . . . A 656 GLU N . 18464 1 1437 . 1 1 139 139 HIS H H 1 8.096 0.010 . 1 . . . A 657 HIS H . 18464 1 1438 . 1 1 139 139 HIS HA H 1 5.674 0.010 . 1 . . . A 657 HIS HA . 18464 1 1439 . 1 1 139 139 HIS HB2 H 1 3.294 0.010 . 2 . . . A 657 HIS HB2 . 18464 1 1440 . 1 1 139 139 HIS HB3 H 1 2.822 0.010 . 2 . . . A 657 HIS HB3 . 18464 1 1441 . 1 1 139 139 HIS HD2 H 1 6.996 0.010 . 1 . . . A 657 HIS HD2 . 18464 1 1442 . 1 1 139 139 HIS HE1 H 1 8.221 0.010 . 1 . . . A 657 HIS HE1 . 18464 1 1443 . 1 1 139 139 HIS CA C 13 51.066 0.100 . 1 . . . A 657 HIS CA . 18464 1 1444 . 1 1 139 139 HIS CB C 13 29.065 0.100 . 1 . . . A 657 HIS CB . 18464 1 1445 . 1 1 139 139 HIS CD2 C 13 121.833 0.100 . 1 . . . A 657 HIS CD2 . 18464 1 1446 . 1 1 139 139 HIS CE1 C 13 137.475 0.100 . 1 . . . A 657 HIS CE1 . 18464 1 1447 . 1 1 139 139 HIS N N 15 112.244 0.100 . 1 . . . A 657 HIS N . 18464 1 1448 . 1 1 140 140 PRO HA H 1 4.684 0.010 . 1 . . . A 658 PRO HA . 18464 1 1449 . 1 1 140 140 PRO HB2 H 1 2.390 0.010 . 2 . . . A 658 PRO HB2 . 18464 1 1450 . 1 1 140 140 PRO HB3 H 1 2.390 0.010 . 2 . . . A 658 PRO HB3 . 18464 1 1451 . 1 1 140 140 PRO HG2 H 1 2.211 0.010 . 2 . . . A 658 PRO HG2 . 18464 1 1452 . 1 1 140 140 PRO HG3 H 1 2.026 0.010 . 2 . . . A 658 PRO HG3 . 18464 1 1453 . 1 1 140 140 PRO HD2 H 1 4.088 0.010 . 2 . . . A 658 PRO HD2 . 18464 1 1454 . 1 1 140 140 PRO HD3 H 1 3.698 0.010 . 2 . . . A 658 PRO HD3 . 18464 1 1455 . 1 1 140 140 PRO C C 13 174.343 0.100 . 1 . . . A 658 PRO C . 18464 1 1456 . 1 1 140 140 PRO CA C 13 64.076 0.100 . 1 . . . A 658 PRO CA . 18464 1 1457 . 1 1 140 140 PRO CB C 13 33.586 0.100 . 1 . . . A 658 PRO CB . 18464 1 1458 . 1 1 140 140 PRO CG C 13 26.514 0.100 . 1 . . . A 658 PRO CG . 18464 1 1459 . 1 1 140 140 PRO CD C 13 49.918 0.100 . 1 . . . A 658 PRO CD . 18464 1 1460 . 1 1 141 141 LYS H H 1 7.689 0.010 . 1 . . . A 659 LYS H . 18464 1 1461 . 1 1 141 141 LYS HA H 1 5.418 0.010 . 1 . . . A 659 LYS HA . 18464 1 1462 . 1 1 141 141 LYS HB2 H 1 1.897 0.010 . 2 . . . A 659 LYS HB2 . 18464 1 1463 . 1 1 141 141 LYS HB3 H 1 1.793 0.010 . 2 . . . A 659 LYS HB3 . 18464 1 1464 . 1 1 141 141 LYS HG2 H 1 1.368 0.010 . 2 . . . A 659 LYS HG2 . 18464 1 1465 . 1 1 141 141 LYS HG3 H 1 1.368 0.010 . 2 . . . A 659 LYS HG3 . 18464 1 1466 . 1 1 141 141 LYS HD2 H 1 1.562 0.010 . 2 . . . A 659 LYS HD2 . 18464 1 1467 . 1 1 141 141 LYS HD3 H 1 1.499 0.010 . 2 . . . A 659 LYS HD3 . 18464 1 1468 . 1 1 141 141 LYS HE2 H 1 2.679 0.010 . 2 . . . A 659 LYS HE2 . 18464 1 1469 . 1 1 141 141 LYS HE3 H 1 2.679 0.010 . 2 . . . A 659 LYS HE3 . 18464 1 1470 . 1 1 141 141 LYS C C 13 173.164 0.100 . 1 . . . A 659 LYS C . 18464 1 1471 . 1 1 141 141 LYS CA C 13 55.458 0.100 . 1 . . . A 659 LYS CA . 18464 1 1472 . 1 1 141 141 LYS CB C 13 35.868 0.100 . 1 . . . A 659 LYS CB . 18464 1 1473 . 1 1 141 141 LYS CG C 13 25.058 0.100 . 1 . . . A 659 LYS CG . 18464 1 1474 . 1 1 141 141 LYS CD C 13 29.597 0.100 . 1 . . . A 659 LYS CD . 18464 1 1475 . 1 1 141 141 LYS CE C 13 41.562 0.100 . 1 . . . A 659 LYS CE . 18464 1 1476 . 1 1 141 141 LYS N N 15 120.271 0.100 . 1 . . . A 659 LYS N . 18464 1 1477 . 1 1 142 142 LEU H H 1 8.955 0.010 . 1 . . . A 660 LEU H . 18464 1 1478 . 1 1 142 142 LEU HA H 1 4.434 0.010 . 1 . . . A 660 LEU HA . 18464 1 1479 . 1 1 142 142 LEU HB2 H 1 0.720 0.010 . 2 . . . A 660 LEU HB2 . 18464 1 1480 . 1 1 142 142 LEU HB3 H 1 -0.168 0.010 . 2 . . . A 660 LEU HB3 . 18464 1 1481 . 1 1 142 142 LEU HD11 H 1 0.417 0.010 . 2 . . . A 660 LEU HD11 . 18464 1 1482 . 1 1 142 142 LEU HD12 H 1 0.417 0.010 . 2 . . . A 660 LEU HD12 . 18464 1 1483 . 1 1 142 142 LEU HD13 H 1 0.417 0.010 . 2 . . . A 660 LEU HD13 . 18464 1 1484 . 1 1 142 142 LEU HD21 H 1 0.264 0.010 . 2 . . . A 660 LEU HD21 . 18464 1 1485 . 1 1 142 142 LEU HD22 H 1 0.264 0.010 . 2 . . . A 660 LEU HD22 . 18464 1 1486 . 1 1 142 142 LEU HD23 H 1 0.264 0.010 . 2 . . . A 660 LEU HD23 . 18464 1 1487 . 1 1 142 142 LEU C C 13 174.531 0.100 . 1 . . . A 660 LEU C . 18464 1 1488 . 1 1 142 142 LEU CA C 13 53.283 0.100 . 1 . . . A 660 LEU CA . 18464 1 1489 . 1 1 142 142 LEU CB C 13 44.075 0.100 . 1 . . . A 660 LEU CB . 18464 1 1490 . 1 1 142 142 LEU CG C 13 26.206 0.100 . 1 . . . A 660 LEU CG . 18464 1 1491 . 1 1 142 142 LEU CD1 C 13 23.785 0.100 . 2 . . . A 660 LEU CD1 . 18464 1 1492 . 1 1 142 142 LEU CD2 C 13 27.566 0.100 . 2 . . . A 660 LEU CD2 . 18464 1 1493 . 1 1 142 142 LEU N N 15 131.198 0.100 . 1 . . . A 660 LEU N . 18464 1 1494 . 1 1 143 143 GLU H H 1 8.716 0.010 . 1 . . . A 661 GLU H . 18464 1 1495 . 1 1 143 143 GLU HA H 1 4.135 0.010 . 1 . . . A 661 GLU HA . 18464 1 1496 . 1 1 143 143 GLU HB2 H 1 2.237 0.010 . 2 . . . A 661 GLU HB2 . 18464 1 1497 . 1 1 143 143 GLU HB3 H 1 2.237 0.010 . 2 . . . A 661 GLU HB3 . 18464 1 1498 . 1 1 143 143 GLU HG2 H 1 1.663 0.010 . 2 . . . A 661 GLU HG2 . 18464 1 1499 . 1 1 143 143 GLU HG3 H 1 1.343 0.010 . 2 . . . A 661 GLU HG3 . 18464 1 1500 . 1 1 143 143 GLU C C 13 173.054 0.100 . 1 . . . A 661 GLU C . 18464 1 1501 . 1 1 143 143 GLU CA C 13 55.017 0.100 . 1 . . . A 661 GLU CA . 18464 1 1502 . 1 1 143 143 GLU CB C 13 30.913 0.100 . 1 . . . A 661 GLU CB . 18464 1 1503 . 1 1 143 143 GLU CG C 13 36.008 0.100 . 1 . . . A 661 GLU CG . 18464 1 1504 . 1 1 143 143 GLU N N 15 129.180 0.100 . 1 . . . A 661 GLU N . 18464 1 1505 . 1 1 144 144 VAL H H 1 8.595 0.010 . 1 . . . A 662 VAL H . 18464 1 1506 . 1 1 144 144 VAL HA H 1 3.987 0.010 . 1 . . . A 662 VAL HA . 18464 1 1507 . 1 1 144 144 VAL HB H 1 -0.071 0.010 . 1 . . . A 662 VAL HB . 18464 1 1508 . 1 1 144 144 VAL HG11 H 1 -0.073 0.010 . 2 . . . A 662 VAL HG11 . 18464 1 1509 . 1 1 144 144 VAL HG12 H 1 -0.073 0.010 . 2 . . . A 662 VAL HG12 . 18464 1 1510 . 1 1 144 144 VAL HG13 H 1 -0.073 0.010 . 2 . . . A 662 VAL HG13 . 18464 1 1511 . 1 1 144 144 VAL HG21 H 1 0.267 0.010 . 2 . . . A 662 VAL HG21 . 18464 1 1512 . 1 1 144 144 VAL HG22 H 1 0.267 0.010 . 2 . . . A 662 VAL HG22 . 18464 1 1513 . 1 1 144 144 VAL HG23 H 1 0.267 0.010 . 2 . . . A 662 VAL HG23 . 18464 1 1514 . 1 1 144 144 VAL C C 13 174.338 0.100 . 1 . . . A 662 VAL C . 18464 1 1515 . 1 1 144 144 VAL CA C 13 60.341 0.100 . 1 . . . A 662 VAL CA . 18464 1 1516 . 1 1 144 144 VAL CB C 13 31.242 0.100 . 1 . . . A 662 VAL CB . 18464 1 1517 . 1 1 144 144 VAL CG1 C 13 19.917 0.100 . 2 . . . A 662 VAL CG1 . 18464 1 1518 . 1 1 144 144 VAL CG2 C 13 22.773 0.100 . 2 . . . A 662 VAL CG2 . 18464 1 1519 . 1 1 144 144 VAL N N 15 129.019 0.100 . 1 . . . A 662 VAL N . 18464 1 1520 . 1 1 145 145 ILE H H 1 8.497 0.010 . 1 . . . A 663 ILE H . 18464 1 1521 . 1 1 145 145 ILE HA H 1 4.329 0.010 . 1 . . . A 663 ILE HA . 18464 1 1522 . 1 1 145 145 ILE HB H 1 0.910 0.010 . 1 . . . A 663 ILE HB . 18464 1 1523 . 1 1 145 145 ILE HG12 H 1 0.971 0.010 . 2 . . . A 663 ILE HG12 . 18464 1 1524 . 1 1 145 145 ILE HG13 H 1 0.971 0.010 . 2 . . . A 663 ILE HG13 . 18464 1 1525 . 1 1 145 145 ILE HG21 H 1 0.533 0.010 . 1 . . . A 663 ILE HG21 . 18464 1 1526 . 1 1 145 145 ILE HG22 H 1 0.533 0.010 . 1 . . . A 663 ILE HG22 . 18464 1 1527 . 1 1 145 145 ILE HG23 H 1 0.533 0.010 . 1 . . . A 663 ILE HG23 . 18464 1 1528 . 1 1 145 145 ILE HD11 H 1 0.349 0.010 . 1 . . . A 663 ILE HD11 . 18464 1 1529 . 1 1 145 145 ILE HD12 H 1 0.349 0.010 . 1 . . . A 663 ILE HD12 . 18464 1 1530 . 1 1 145 145 ILE HD13 H 1 0.349 0.010 . 1 . . . A 663 ILE HD13 . 18464 1 1531 . 1 1 145 145 ILE C C 13 175.230 0.100 . 1 . . . A 663 ILE C . 18464 1 1532 . 1 1 145 145 ILE CA C 13 59.644 0.100 . 1 . . . A 663 ILE CA . 18464 1 1533 . 1 1 145 145 ILE CB C 13 38.628 0.100 . 1 . . . A 663 ILE CB . 18464 1 1534 . 1 1 145 145 ILE CG1 C 13 28.000 0.100 . 1 . . . A 663 ILE CG1 . 18464 1 1535 . 1 1 145 145 ILE CG2 C 13 17.856 0.100 . 1 . . . A 663 ILE CG2 . 18464 1 1536 . 1 1 145 145 ILE CD1 C 13 13.464 0.100 . 1 . . . A 663 ILE CD1 . 18464 1 1537 . 1 1 145 145 ILE N N 15 126.055 0.100 . 1 . . . A 663 ILE N . 18464 1 1538 . 1 1 146 146 ILE H H 1 9.081 0.010 . 1 . . . A 664 ILE H . 18464 1 1539 . 1 1 146 146 ILE HA H 1 4.337 0.010 . 1 . . . A 664 ILE HA . 18464 1 1540 . 1 1 146 146 ILE HB H 1 1.724 0.010 . 1 . . . A 664 ILE HB . 18464 1 1541 . 1 1 146 146 ILE HG12 H 1 0.694 0.010 . 2 . . . A 664 ILE HG12 . 18464 1 1542 . 1 1 146 146 ILE HG13 H 1 0.694 0.010 . 2 . . . A 664 ILE HG13 . 18464 1 1543 . 1 1 146 146 ILE HG21 H 1 0.885 0.010 . 1 . . . A 664 ILE HG21 . 18464 1 1544 . 1 1 146 146 ILE HG22 H 1 0.885 0.010 . 1 . . . A 664 ILE HG22 . 18464 1 1545 . 1 1 146 146 ILE HG23 H 1 0.885 0.010 . 1 . . . A 664 ILE HG23 . 18464 1 1546 . 1 1 146 146 ILE HD11 H 1 1.035 0.010 . 1 . . . A 664 ILE HD11 . 18464 1 1547 . 1 1 146 146 ILE HD12 H 1 1.035 0.010 . 1 . . . A 664 ILE HD12 . 18464 1 1548 . 1 1 146 146 ILE HD13 H 1 1.035 0.010 . 1 . . . A 664 ILE HD13 . 18464 1 1549 . 1 1 146 146 ILE CA C 13 61.068 0.100 . 1 . . . A 664 ILE CA . 18464 1 1550 . 1 1 146 146 ILE CB C 13 38.990 0.100 . 1 . . . A 664 ILE CB . 18464 1 1551 . 1 1 146 146 ILE CG1 C 13 27.239 0.100 . 1 . . . A 664 ILE CG1 . 18464 1 1552 . 1 1 146 146 ILE CG2 C 13 18.028 0.100 . 1 . . . A 664 ILE CG2 . 18464 1 1553 . 1 1 146 146 ILE CD1 C 13 14.244 0.100 . 1 . . . A 664 ILE CD1 . 18464 1 1554 . 1 1 146 146 ILE N N 15 127.054 0.100 . 1 . . . A 664 ILE N . 18464 1 1555 . 1 1 152 152 PHE HA H 1 4.542 0.010 . 1 . . . A 670 PHE HA . 18464 1 1556 . 1 1 152 152 PHE HB2 H 1 3.064 0.010 . 2 . . . A 670 PHE HB2 . 18464 1 1557 . 1 1 152 152 PHE HB3 H 1 2.996 0.010 . 2 . . . A 670 PHE HB3 . 18464 1 1558 . 1 1 152 152 PHE HD1 H 1 7.206 0.010 . 3 . . . A 670 PHE HD1 . 18464 1 1559 . 1 1 152 152 PHE HD2 H 1 7.206 0.010 . 3 . . . A 670 PHE HD2 . 18464 1 1560 . 1 1 152 152 PHE C C 13 175.319 0.100 . 1 . . . A 670 PHE C . 18464 1 1561 . 1 1 152 152 PHE CA C 13 57.841 0.100 . 1 . . . A 670 PHE CA . 18464 1 1562 . 1 1 152 152 PHE CB C 13 39.670 0.100 . 1 . . . A 670 PHE CB . 18464 1 1563 . 1 1 152 152 PHE CD1 C 13 131.868 0.100 . 3 . . . A 670 PHE CD1 . 18464 1 1564 . 1 1 152 152 PHE CD2 C 13 131.868 0.100 . 3 . . . A 670 PHE CD2 . 18464 1 1565 . 1 1 153 153 LYS H H 1 8.068 0.010 . 1 . . . A 671 LYS H . 18464 1 1566 . 1 1 153 153 LYS HA H 1 4.322 0.010 . 1 . . . A 671 LYS HA . 18464 1 1567 . 1 1 153 153 LYS C C 13 175.912 0.100 . 1 . . . A 671 LYS C . 18464 1 1568 . 1 1 153 153 LYS CA C 13 55.951 0.100 . 1 . . . A 671 LYS CA . 18464 1 1569 . 1 1 153 153 LYS CB C 13 33.449 0.100 . 1 . . . A 671 LYS CB . 18464 1 1570 . 1 1 153 153 LYS N N 15 123.906 0.100 . 1 . . . A 671 LYS N . 18464 1 1571 . 1 1 154 154 SER H H 1 8.306 0.010 . 1 . . . A 672 SER H . 18464 1 1572 . 1 1 154 154 SER HA H 1 4.454 0.010 . 1 . . . A 672 SER HA . 18464 1 1573 . 1 1 154 154 SER HB2 H 1 3.873 0.010 . 2 . . . A 672 SER HB2 . 18464 1 1574 . 1 1 154 154 SER HB3 H 1 3.873 0.010 . 2 . . . A 672 SER HB3 . 18464 1 1575 . 1 1 154 154 SER C C 13 174.757 0.100 . 1 . . . A 672 SER C . 18464 1 1576 . 1 1 154 154 SER CA C 13 58.328 0.100 . 1 . . . A 672 SER CA . 18464 1 1577 . 1 1 154 154 SER CB C 13 63.949 0.100 . 1 . . . A 672 SER CB . 18464 1 1578 . 1 1 154 154 SER N N 15 117.458 0.100 . 1 . . . A 672 SER N . 18464 1 1579 . 1 1 155 155 THR H H 1 8.113 0.010 . 1 . . . A 673 THR H . 18464 1 1580 . 1 1 155 155 THR HA H 1 4.950 0.010 . 1 . . . A 673 THR HA . 18464 1 1581 . 1 1 155 155 THR HB H 1 4.301 0.010 . 1 . . . A 673 THR HB . 18464 1 1582 . 1 1 155 155 THR C C 13 174.420 0.100 . 1 . . . A 673 THR C . 18464 1 1583 . 1 1 155 155 THR CA C 13 61.652 0.100 . 1 . . . A 673 THR CA . 18464 1 1584 . 1 1 155 155 THR CB C 13 69.937 0.100 . 1 . . . A 673 THR CB . 18464 1 1585 . 1 1 155 155 THR CG2 C 13 21.671 0.100 . 1 . . . A 673 THR CG2 . 18464 1 1586 . 1 1 155 155 THR N N 15 115.639 0.100 . 1 . . . A 673 THR N . 18464 1 1587 . 1 1 156 156 VAL H H 1 8.087 0.010 . 1 . . . A 674 VAL H . 18464 1 1588 . 1 1 156 156 VAL HA H 1 4.225 0.010 . 1 . . . A 674 VAL HA . 18464 1 1589 . 1 1 156 156 VAL HB H 1 2.154 0.010 . 1 . . . A 674 VAL HB . 18464 1 1590 . 1 1 156 156 VAL HG11 H 1 0.927 0.010 . 2 . . . A 674 VAL HG11 . 18464 1 1591 . 1 1 156 156 VAL HG12 H 1 0.927 0.010 . 2 . . . A 674 VAL HG12 . 18464 1 1592 . 1 1 156 156 VAL HG13 H 1 0.927 0.010 . 2 . . . A 674 VAL HG13 . 18464 1 1593 . 1 1 156 156 VAL HG21 H 1 0.960 0.010 . 2 . . . A 674 VAL HG21 . 18464 1 1594 . 1 1 156 156 VAL HG22 H 1 0.960 0.010 . 2 . . . A 674 VAL HG22 . 18464 1 1595 . 1 1 156 156 VAL HG23 H 1 0.960 0.010 . 2 . . . A 674 VAL HG23 . 18464 1 1596 . 1 1 156 156 VAL C C 13 174.979 0.100 . 1 . . . A 674 VAL C . 18464 1 1597 . 1 1 156 156 VAL CA C 13 62.169 0.100 . 1 . . . A 674 VAL CA . 18464 1 1598 . 1 1 156 156 VAL CB C 13 32.937 0.100 . 1 . . . A 674 VAL CB . 18464 1 1599 . 1 1 156 156 VAL CG1 C 13 20.090 0.100 . 2 . . . A 674 VAL CG1 . 18464 1 1600 . 1 1 156 156 VAL CG2 C 13 21.304 0.100 . 2 . . . A 674 VAL CG2 . 18464 1 1601 . 1 1 156 156 VAL N N 15 120.957 0.100 . 1 . . . A 674 VAL N . 18464 1 1602 . 1 1 157 157 ASP H H 1 7.908 0.010 . 1 . . . A 675 ASP H . 18464 1 1603 . 1 1 157 157 ASP HA H 1 4.418 0.010 . 1 . . . A 675 ASP HA . 18464 1 1604 . 1 1 157 157 ASP HB2 H 1 2.595 0.010 . 2 . . . A 675 ASP HB2 . 18464 1 1605 . 1 1 157 157 ASP HB3 H 1 2.680 0.010 . 2 . . . A 675 ASP HB3 . 18464 1 1606 . 1 1 157 157 ASP CA C 13 55.836 0.100 . 1 . . . A 675 ASP CA . 18464 1 1607 . 1 1 157 157 ASP CB C 13 42.461 0.100 . 1 . . . A 675 ASP CB . 18464 1 1608 . 1 1 157 157 ASP N N 15 129.025 0.100 . 1 . . . A 675 ASP N . 18464 1 stop_ save_