data_16910 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16910 _Entry.Title ; Assignment of HN,HA,HB,N,CA,CB and C' of the STAS domain of motor protein Prestin (Anion Transporter SLC26A5) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-30 _Entry.Accession_date 2010-04-30 _Entry.Last_release_date 2011-05-02 _Entry.Original_release_date 2011-05-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Massimo Bellanda . . . 16910 2 Lorenzo Gesiot . . . 16910 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Department of Chemical Sciences, University of Padova' . 16910 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16910 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 372 16910 '15N chemical shifts' 121 16910 '1H chemical shifts' 453 16910 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-02 2010-04-30 original author . 16910 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3LLO 'Crystal structure of the STAS domain of motor protein prestin (anion transporter SLC26A5)' 16910 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16910 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20471983 _Citation.Full_citation . _Citation.Title 'Structure of the cytosolic portion of motor protein prestin and functional role of the STAS domain in SLC26/SulP anion transporters.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 400 _Citation.Journal_issue 3 _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 448 _Citation.Page_last 462 _Citation.Year 2010 _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 Elisa Pasqualetto . . . 16910 1 2 Rosa Aiello . . . 16910 1 3 Lorenzo Gesiot . . . 16910 1 4 Greta Bonetto . . . 16910 1 5 Massimo Bellanda . . . 16910 1 6 Roberto Battistutta . . . 16910 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'motor protein' 16910 1 Prestin 16910 1 'SLC26 anion transporters' 16910 1 'STAS domain' 16910 1 'SulP transporters' 16910 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16910 _Assembly.ID 1 _Assembly.Name 'Prestin STAS monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Prestin_STAS 1 $Prestin_STAS A . yes native no no . . . 16910 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Prestin_STAS _Entity.Sf_category entity _Entity.Sf_framecode Prestin_STAS _Entity.Entry_ID 16910 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Prestin_STAS _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SPSYTVLGQLPDTDVYIDID AYEEVKEIPGIKIFQINAPI YYANSDLYSSALKRKTGVNG SENIHTVILDFTQVNFMDSV GVKTLAGIVKEYGDVGIYVY LAGCSAQVVNDLTSNRFFEN PALKELLFHSIHDAVLGSQV REAMAEQETTVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 152 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation ; Chimeric construct:[505-563]GS[637-727] deletion between 564 and 636; insertion of linker G635-S636 ; _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 3LLO . "Crystal Structure Of The Stas Domain Of Motor Protein Prestin (Anion Transporter Slc26a5)" . . . . . 94.08 143 100.00 100.00 5.30e-99 . . . . 16910 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 1 505 SER . 16910 1 2 506 PRO . 16910 1 3 507 SER . 16910 1 4 508 TYR . 16910 1 5 509 THR . 16910 1 6 510 VAL . 16910 1 7 511 LEU . 16910 1 8 512 GLY . 16910 1 9 513 GLN . 16910 1 10 514 LEU . 16910 1 11 515 PRO . 16910 1 12 516 ASP . 16910 1 13 517 THR . 16910 1 14 518 ASP . 16910 1 15 519 VAL . 16910 1 16 520 TYR . 16910 1 17 521 ILE . 16910 1 18 522 ASP . 16910 1 19 523 ILE . 16910 1 20 524 ASP . 16910 1 21 525 ALA . 16910 1 22 526 TYR . 16910 1 23 527 GLU . 16910 1 24 528 GLU . 16910 1 25 529 VAL . 16910 1 26 530 LYS . 16910 1 27 531 GLU . 16910 1 28 532 ILE . 16910 1 29 533 PRO . 16910 1 30 534 GLY . 16910 1 31 535 ILE . 16910 1 32 536 LYS . 16910 1 33 537 ILE . 16910 1 34 538 PHE . 16910 1 35 539 GLN . 16910 1 36 540 ILE . 16910 1 37 541 ASN . 16910 1 38 542 ALA . 16910 1 39 543 PRO . 16910 1 40 544 ILE . 16910 1 41 545 TYR . 16910 1 42 546 TYR . 16910 1 43 547 ALA . 16910 1 44 548 ASN . 16910 1 45 549 SER . 16910 1 46 550 ASP . 16910 1 47 551 LEU . 16910 1 48 552 TYR . 16910 1 49 553 SER . 16910 1 50 554 SER . 16910 1 51 555 ALA . 16910 1 52 556 LEU . 16910 1 53 557 LYS . 16910 1 54 558 ARG . 16910 1 55 559 LYS . 16910 1 56 560 THR . 16910 1 57 561 GLY . 16910 1 58 562 VAL . 16910 1 59 563 ASN . 16910 1 60 635 GLY . 16910 1 61 636 SER . 16910 1 62 637 GLU . 16910 1 63 638 ASN . 16910 1 64 639 ILE . 16910 1 65 640 HIS . 16910 1 66 641 THR . 16910 1 67 642 VAL . 16910 1 68 643 ILE . 16910 1 69 644 LEU . 16910 1 70 645 ASP . 16910 1 71 646 PHE . 16910 1 72 647 THR . 16910 1 73 648 GLN . 16910 1 74 649 VAL . 16910 1 75 650 ASN . 16910 1 76 651 PHE . 16910 1 77 652 MET . 16910 1 78 653 ASP . 16910 1 79 654 SER . 16910 1 80 655 VAL . 16910 1 81 656 GLY . 16910 1 82 657 VAL . 16910 1 83 658 LYS . 16910 1 84 659 THR . 16910 1 85 660 LEU . 16910 1 86 661 ALA . 16910 1 87 662 GLY . 16910 1 88 663 ILE . 16910 1 89 664 VAL . 16910 1 90 665 LYS . 16910 1 91 666 GLU . 16910 1 92 667 TYR . 16910 1 93 668 GLY . 16910 1 94 669 ASP . 16910 1 95 670 VAL . 16910 1 96 671 GLY . 16910 1 97 672 ILE . 16910 1 98 673 TYR . 16910 1 99 674 VAL . 16910 1 100 675 TYR . 16910 1 101 676 LEU . 16910 1 102 677 ALA . 16910 1 103 678 GLY . 16910 1 104 679 CYS . 16910 1 105 680 SER . 16910 1 106 681 ALA . 16910 1 107 682 GLN . 16910 1 108 683 VAL . 16910 1 109 684 VAL . 16910 1 110 685 ASN . 16910 1 111 686 ASP . 16910 1 112 687 LEU . 16910 1 113 688 THR . 16910 1 114 689 SER . 16910 1 115 690 ASN . 16910 1 116 691 ARG . 16910 1 117 692 PHE . 16910 1 118 693 PHE . 16910 1 119 694 GLU . 16910 1 120 695 ASN . 16910 1 121 696 PRO . 16910 1 122 697 ALA . 16910 1 123 698 LEU . 16910 1 124 699 LYS . 16910 1 125 700 GLU . 16910 1 126 701 LEU . 16910 1 127 702 LEU . 16910 1 128 703 PHE . 16910 1 129 704 HIS . 16910 1 130 705 SER . 16910 1 131 706 ILE . 16910 1 132 707 HIS . 16910 1 133 708 ASP . 16910 1 134 709 ALA . 16910 1 135 710 VAL . 16910 1 136 711 LEU . 16910 1 137 712 GLY . 16910 1 138 713 SER . 16910 1 139 714 GLN . 16910 1 140 715 VAL . 16910 1 141 716 ARG . 16910 1 142 717 GLU . 16910 1 143 718 ALA . 16910 1 144 719 MET . 16910 1 145 720 ALA . 16910 1 146 721 GLU . 16910 1 147 722 GLN . 16910 1 148 723 GLU . 16910 1 149 724 THR . 16910 1 150 725 THR . 16910 1 151 726 VAL . 16910 1 152 727 LEU . 16910 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 . SER 1 1 16910 1 . PRO 2 2 16910 1 . SER 3 3 16910 1 . TYR 4 4 16910 1 . THR 5 5 16910 1 . VAL 6 6 16910 1 . LEU 7 7 16910 1 . GLY 8 8 16910 1 . GLN 9 9 16910 1 . LEU 10 10 16910 1 . PRO 11 11 16910 1 . ASP 12 12 16910 1 . THR 13 13 16910 1 . ASP 14 14 16910 1 . VAL 15 15 16910 1 . TYR 16 16 16910 1 . ILE 17 17 16910 1 . ASP 18 18 16910 1 . ILE 19 19 16910 1 . ASP 20 20 16910 1 . ALA 21 21 16910 1 . TYR 22 22 16910 1 . GLU 23 23 16910 1 . GLU 24 24 16910 1 . VAL 25 25 16910 1 . LYS 26 26 16910 1 . GLU 27 27 16910 1 . ILE 28 28 16910 1 . PRO 29 29 16910 1 . GLY 30 30 16910 1 . ILE 31 31 16910 1 . LYS 32 32 16910 1 . ILE 33 33 16910 1 . PHE 34 34 16910 1 . GLN 35 35 16910 1 . ILE 36 36 16910 1 . ASN 37 37 16910 1 . ALA 38 38 16910 1 . PRO 39 39 16910 1 . ILE 40 40 16910 1 . TYR 41 41 16910 1 . TYR 42 42 16910 1 . ALA 43 43 16910 1 . ASN 44 44 16910 1 . SER 45 45 16910 1 . ASP 46 46 16910 1 . LEU 47 47 16910 1 . TYR 48 48 16910 1 . SER 49 49 16910 1 . SER 50 50 16910 1 . ALA 51 51 16910 1 . LEU 52 52 16910 1 . LYS 53 53 16910 1 . ARG 54 54 16910 1 . LYS 55 55 16910 1 . THR 56 56 16910 1 . GLY 57 57 16910 1 . VAL 58 58 16910 1 . ASN 59 59 16910 1 . GLY 60 60 16910 1 . SER 61 61 16910 1 . GLU 62 62 16910 1 . ASN 63 63 16910 1 . ILE 64 64 16910 1 . HIS 65 65 16910 1 . THR 66 66 16910 1 . VAL 67 67 16910 1 . ILE 68 68 16910 1 . LEU 69 69 16910 1 . ASP 70 70 16910 1 . PHE 71 71 16910 1 . THR 72 72 16910 1 . GLN 73 73 16910 1 . VAL 74 74 16910 1 . ASN 75 75 16910 1 . PHE 76 76 16910 1 . MET 77 77 16910 1 . ASP 78 78 16910 1 . SER 79 79 16910 1 . VAL 80 80 16910 1 . GLY 81 81 16910 1 . VAL 82 82 16910 1 . LYS 83 83 16910 1 . THR 84 84 16910 1 . LEU 85 85 16910 1 . ALA 86 86 16910 1 . GLY 87 87 16910 1 . ILE 88 88 16910 1 . VAL 89 89 16910 1 . LYS 90 90 16910 1 . GLU 91 91 16910 1 . TYR 92 92 16910 1 . GLY 93 93 16910 1 . ASP 94 94 16910 1 . VAL 95 95 16910 1 . GLY 96 96 16910 1 . ILE 97 97 16910 1 . TYR 98 98 16910 1 . VAL 99 99 16910 1 . TYR 100 100 16910 1 . LEU 101 101 16910 1 . ALA 102 102 16910 1 . GLY 103 103 16910 1 . CYS 104 104 16910 1 . SER 105 105 16910 1 . ALA 106 106 16910 1 . GLN 107 107 16910 1 . VAL 108 108 16910 1 . VAL 109 109 16910 1 . ASN 110 110 16910 1 . ASP 111 111 16910 1 . LEU 112 112 16910 1 . THR 113 113 16910 1 . SER 114 114 16910 1 . ASN 115 115 16910 1 . ARG 116 116 16910 1 . PHE 117 117 16910 1 . PHE 118 118 16910 1 . GLU 119 119 16910 1 . ASN 120 120 16910 1 . PRO 121 121 16910 1 . ALA 122 122 16910 1 . LEU 123 123 16910 1 . LYS 124 124 16910 1 . GLU 125 125 16910 1 . LEU 126 126 16910 1 . LEU 127 127 16910 1 . PHE 128 128 16910 1 . HIS 129 129 16910 1 . SER 130 130 16910 1 . ILE 131 131 16910 1 . HIS 132 132 16910 1 . ASP 133 133 16910 1 . ALA 134 134 16910 1 . VAL 135 135 16910 1 . LEU 136 136 16910 1 . GLY 137 137 16910 1 . SER 138 138 16910 1 . GLN 139 139 16910 1 . VAL 140 140 16910 1 . ARG 141 141 16910 1 . GLU 142 142 16910 1 . ALA 143 143 16910 1 . MET 144 144 16910 1 . ALA 145 145 16910 1 . GLU 146 146 16910 1 . GLN 147 147 16910 1 . GLU 148 148 16910 1 . THR 149 149 16910 1 . THR 150 150 16910 1 . VAL 151 151 16910 1 . LEU 152 152 16910 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 16910 _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 $Prestin_STAS . 10116 organism . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 16910 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 16910 _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 $Prestin_STAS . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . 'pET SUMO (Invitrogen)' . . . . . . 16910 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16910 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Prestin_STAS '[U-13C; U-15N]' . . 1 $Prestin_STAS . . 1.2 . . mM . . . . 16910 1 2 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16910 1 3 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16910 1 4 'potassium phosphate' 'natural abundance' . . . . . . 30 . . mM . . . . 16910 1 5 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16910 1 6 'sodium azide' 'natural abundance' . . . . . . 0.05 . . %w/v . . . . 16910 1 7 DSS 'natural abundance' . . . . . . 0.5 . . mM . . . . 16910 1 8 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16910 1 9 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16910 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16910 _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' 0.1 . M 16910 1 pH 6.5 . pH 16910 1 pressure 1 . atm 16910 1 temperature 298 . K 16910 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16910 _Software.ID 1 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16910 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16910 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16910 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16910 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16910 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16910 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16910 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16910 3 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 16910 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16910 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16910 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16910 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 16910 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 16910 _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 Bruker Avance . 900 . . . 16910 1 2 spectrometer_2 Bruker Avance . 800 . . . 16910 1 3 spectrometer_3 Bruker Avance . 700 . . . 16910 1 4 spectrometer_4 Bruker Avance . 600 . . . 16910 1 5 spectrometer_5 Bruker Avance . 500 . . . 16910 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 16910 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16910 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16910 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16910 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16910 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16910 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16910 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16910 1 8 '3D HA(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 16910 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 16910 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16910 1 11 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 16910 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16910 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 16910 _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 . . . . . . . . . 16910 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16910 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16910 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 16910 _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' . . . 16910 1 2 '3D HNCO' . . . 16910 1 3 '3D HN(CA)CO' . . . 16910 1 4 '3D HCACO' . . . 16910 1 5 '3D HNCA' . . . 16910 1 6 '3D HNCACB' . . . 16910 1 7 '3D CBCA(CO)NH' . . . 16910 1 8 '3D HA(CA)NH' . . . 16910 1 9 '3D HBHA(CO)NH' . . . 16910 1 10 '3D H(CCO)NH' . . . 16910 1 11 '3D C(CO)NH' . . . 16910 1 12 '3D HCCH-TOCSY' . . . 16910 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 2 2 PRO HA H 1 4.52 0.02 . 1 . . . . 506 PRO HA . 16910 1 2 . 1 1 2 2 PRO HB2 H 1 2.23 0.02 . 2 . . . . 506 PRO HB2 . 16910 1 3 . 1 1 2 2 PRO HB3 H 1 1.82 0.02 . 2 . . . . 506 PRO HB3 . 16910 1 4 . 1 1 2 2 PRO C C 13 177.30 0.30 . 1 . . . . 506 PRO C . 16910 1 5 . 1 1 2 2 PRO CA C 13 63.10 0.30 . 1 . . . . 506 PRO CA . 16910 1 6 . 1 1 2 2 PRO CB C 13 32.00 0.30 . 1 . . . . 506 PRO CB . 16910 1 7 . 1 1 3 3 SER H H 1 8.70 0.02 . 1 . . . . 507 SER H . 16910 1 8 . 1 1 3 3 SER HA H 1 4.34 0.02 . 1 . . . . 507 SER HA . 16910 1 9 . 1 1 3 3 SER HB2 H 1 3.84 0.02 . 2 . . . . 507 SER HB2 . 16910 1 10 . 1 1 3 3 SER HB3 H 1 3.75 0.02 . 2 . . . . 507 SER HB3 . 16910 1 11 . 1 1 3 3 SER C C 13 174.60 0.30 . 1 . . . . 507 SER C . 16910 1 12 . 1 1 3 3 SER CA C 13 60.10 0.30 . 1 . . . . 507 SER CA . 16910 1 13 . 1 1 3 3 SER CB C 13 63.10 0.30 . 1 . . . . 507 SER CB . 16910 1 14 . 1 1 3 3 SER N N 15 116.70 0.30 . 1 . . . . 507 SER N . 16910 1 15 . 1 1 5 5 THR H H 1 8.89 0.02 . 1 . . . . 509 THR H . 16910 1 16 . 1 1 5 5 THR HA H 1 4.51 0.02 . 1 . . . . 509 THR HA . 16910 1 17 . 1 1 5 5 THR HB H 1 3.96 0.02 . 1 . . . . 509 THR HB . 16910 1 18 . 1 1 5 5 THR C C 13 173.30 0.30 . 1 . . . . 509 THR C . 16910 1 19 . 1 1 5 5 THR CA C 13 61.90 0.30 . 1 . . . . 509 THR CA . 16910 1 20 . 1 1 5 5 THR CB C 13 72.20 0.30 . 1 . . . . 509 THR CB . 16910 1 21 . 1 1 5 5 THR N N 15 118.10 0.30 . 1 . . . . 509 THR N . 16910 1 22 . 1 1 6 6 VAL H H 1 9.33 0.02 . 1 . . . . 510 VAL H . 16910 1 23 . 1 1 6 6 VAL HA H 1 4.66 0.02 . 1 . . . . 510 VAL HA . 16910 1 24 . 1 1 6 6 VAL HB H 1 2.12 0.02 . 1 . . . . 510 VAL HB . 16910 1 25 . 1 1 6 6 VAL C C 13 175.10 0.30 . 1 . . . . 510 VAL C . 16910 1 26 . 1 1 6 6 VAL CA C 13 63.10 0.30 . 1 . . . . 510 VAL CA . 16910 1 27 . 1 1 6 6 VAL CB C 13 31.70 0.30 . 1 . . . . 510 VAL CB . 16910 1 28 . 1 1 6 6 VAL N N 15 130.50 0.30 . 1 . . . . 510 VAL N . 16910 1 29 . 1 1 7 7 LEU H H 1 8.36 0.02 . 1 . . . . 511 LEU H . 16910 1 30 . 1 1 7 7 LEU HA H 1 5.07 0.02 . 1 . . . . 511 LEU HA . 16910 1 31 . 1 1 7 7 LEU HB2 H 1 1.53 0.02 . 2 . . . . 511 LEU HB2 . 16910 1 32 . 1 1 7 7 LEU HB3 H 1 1.35 0.02 . 2 . . . . 511 LEU HB3 . 16910 1 33 . 1 1 7 7 LEU C C 13 176.50 0.30 . 1 . . . . 511 LEU C . 16910 1 34 . 1 1 7 7 LEU CA C 13 52.50 0.30 . 1 . . . . 511 LEU CA . 16910 1 35 . 1 1 7 7 LEU CB C 13 44.40 0.30 . 1 . . . . 511 LEU CB . 16910 1 36 . 1 1 7 7 LEU N N 15 124.50 0.30 . 1 . . . . 511 LEU N . 16910 1 37 . 1 1 8 8 GLY H H 1 8.71 0.02 . 1 . . . . 512 GLY H . 16910 1 38 . 1 1 8 8 GLY HA2 H 1 4.40 0.02 . 2 . . . . 512 GLY HA2 . 16910 1 39 . 1 1 8 8 GLY HA3 H 1 3.20 0.02 . 2 . . . . 512 GLY HA3 . 16910 1 40 . 1 1 8 8 GLY C C 13 170.80 0.30 . 1 . . . . 512 GLY C . 16910 1 41 . 1 1 8 8 GLY CA C 13 43.70 0.30 . 1 . . . . 512 GLY CA . 16910 1 42 . 1 1 8 8 GLY N N 15 105.00 0.30 . 1 . . . . 512 GLY N . 16910 1 43 . 1 1 9 9 GLN H H 1 8.86 0.02 . 1 . . . . 513 GLN H . 16910 1 44 . 1 1 9 9 GLN HA H 1 4.66 0.02 . 1 . . . . 513 GLN HA . 16910 1 45 . 1 1 9 9 GLN HB2 H 1 2.12 0.02 . 2 . . . . 513 GLN HB2 . 16910 1 46 . 1 1 9 9 GLN HB3 H 1 1.72 0.02 . 2 . . . . 513 GLN HB3 . 16910 1 47 . 1 1 9 9 GLN C C 13 177.30 0.30 . 1 . . . . 513 GLN C . 16910 1 48 . 1 1 9 9 GLN CA C 13 53.90 0.30 . 1 . . . . 513 GLN CA . 16910 1 49 . 1 1 9 9 GLN CB C 13 33.30 0.30 . 1 . . . . 513 GLN CB . 16910 1 50 . 1 1 9 9 GLN N N 15 119.40 0.30 . 1 . . . . 513 GLN N . 16910 1 51 . 1 1 10 10 LEU H H 1 8.31 0.02 . 1 . . . . 514 LEU H . 16910 1 52 . 1 1 10 10 LEU HA H 1 4.59 0.02 . 1 . . . . 514 LEU HA . 16910 1 53 . 1 1 10 10 LEU HB2 H 1 1.65 0.02 . 2 . . . . 514 LEU HB2 . 16910 1 54 . 1 1 10 10 LEU HB3 H 1 1.42 0.02 . 2 . . . . 514 LEU HB3 . 16910 1 55 . 1 1 10 10 LEU C C 13 175.30 0.30 . 1 . . . . 514 LEU C . 16910 1 56 . 1 1 10 10 LEU CA C 13 52.90 0.30 . 1 . . . . 514 LEU CA . 16910 1 57 . 1 1 10 10 LEU CB C 13 41.00 0.30 . 1 . . . . 514 LEU CB . 16910 1 58 . 1 1 10 10 LEU N N 15 130.50 0.30 . 1 . . . . 514 LEU N . 16910 1 59 . 1 1 11 11 PRO HA H 1 4.18 0.02 . 1 . . . . 515 PRO HA . 16910 1 60 . 1 1 11 11 PRO HB2 H 1 2.28 0.02 . 2 . . . . 515 PRO HB2 . 16910 1 61 . 1 1 11 11 PRO HB3 H 1 1.85 0.02 . 2 . . . . 515 PRO HB3 . 16910 1 62 . 1 1 11 11 PRO C C 13 176.30 0.30 . 1 . . . . 515 PRO C . 16910 1 63 . 1 1 11 11 PRO CA C 13 64.40 0.30 . 1 . . . . 515 PRO CA . 16910 1 64 . 1 1 11 11 PRO CB C 13 32.00 0.30 . 1 . . . . 515 PRO CB . 16910 1 65 . 1 1 12 12 ASP H H 1 8.79 0.02 . 1 . . . . 516 ASP H . 16910 1 66 . 1 1 12 12 ASP HA H 1 4.28 0.02 . 1 . . . . 516 ASP HA . 16910 1 67 . 1 1 12 12 ASP HB2 H 1 2.92 0.02 . 2 . . . . 516 ASP HB2 . 16910 1 68 . 1 1 12 12 ASP HB3 H 1 2.86 0.02 . 2 . . . . 516 ASP HB3 . 16910 1 69 . 1 1 12 12 ASP C C 13 175.10 0.30 . 1 . . . . 516 ASP C . 16910 1 70 . 1 1 12 12 ASP CA C 13 55.70 0.30 . 1 . . . . 516 ASP CA . 16910 1 71 . 1 1 12 12 ASP CB C 13 39.60 0.30 . 1 . . . . 516 ASP CB . 16910 1 72 . 1 1 12 12 ASP N N 15 115.70 0.30 . 1 . . . . 516 ASP N . 16910 1 73 . 1 1 13 13 THR H H 1 7.61 0.02 . 1 . . . . 517 THR H . 16910 1 74 . 1 1 13 13 THR HA H 1 4.79 0.02 . 1 . . . . 517 THR HA . 16910 1 75 . 1 1 13 13 THR HB H 1 4.18 0.02 . 1 . . . . 517 THR HB . 16910 1 76 . 1 1 13 13 THR C C 13 173.00 0.30 . 1 . . . . 517 THR C . 16910 1 77 . 1 1 13 13 THR CA C 13 60.50 0.30 . 1 . . . . 517 THR CA . 16910 1 78 . 1 1 13 13 THR CB C 13 72.80 0.30 . 1 . . . . 517 THR CB . 16910 1 79 . 1 1 13 13 THR N N 15 108.40 0.30 . 1 . . . . 517 THR N . 16910 1 80 . 1 1 14 14 ASP H H 1 8.07 0.02 . 1 . . . . 518 ASP H . 16910 1 81 . 1 1 14 14 ASP HA H 1 4.44 0.02 . 1 . . . . 518 ASP HA . 16910 1 82 . 1 1 14 14 ASP HB2 H 1 2.47 0.02 . 2 . . . . 518 ASP HB2 . 16910 1 83 . 1 1 14 14 ASP HB3 H 1 2.03 0.02 . 2 . . . . 518 ASP HB3 . 16910 1 84 . 1 1 14 14 ASP C C 13 174.80 0.30 . 1 . . . . 518 ASP C . 16910 1 85 . 1 1 14 14 ASP CA C 13 52.30 0.30 . 1 . . . . 518 ASP CA . 16910 1 86 . 1 1 14 14 ASP CB C 13 39.50 0.30 . 1 . . . . 518 ASP CB . 16910 1 87 . 1 1 14 14 ASP N N 15 118.20 0.30 . 1 . . . . 518 ASP N . 16910 1 88 . 1 1 15 15 VAL H H 1 7.97 0.02 . 1 . . . . 519 VAL H . 16910 1 89 . 1 1 15 15 VAL HA H 1 4.02 0.02 . 1 . . . . 519 VAL HA . 16910 1 90 . 1 1 15 15 VAL HB H 1 2.04 0.02 . 1 . . . . 519 VAL HB . 16910 1 91 . 1 1 15 15 VAL C C 13 174.10 0.30 . 1 . . . . 519 VAL C . 16910 1 92 . 1 1 15 15 VAL CA C 13 62.30 0.30 . 1 . . . . 519 VAL CA . 16910 1 93 . 1 1 15 15 VAL CB C 13 32.90 0.30 . 1 . . . . 519 VAL CB . 16910 1 94 . 1 1 15 15 VAL N N 15 120.20 0.30 . 1 . . . . 519 VAL N . 16910 1 95 . 1 1 16 16 TYR H H 1 8.11 0.02 . 1 . . . . 520 TYR H . 16910 1 96 . 1 1 16 16 TYR HA H 1 5.41 0.02 . 1 . . . . 520 TYR HA . 16910 1 97 . 1 1 16 16 TYR HB2 H 1 2.72 0.02 . 2 . . . . 520 TYR HB2 . 16910 1 98 . 1 1 16 16 TYR HB3 H 1 2.61 0.02 . 2 . . . . 520 TYR HB3 . 16910 1 99 . 1 1 16 16 TYR C C 13 176.00 0.30 . 1 . . . . 520 TYR C . 16910 1 100 . 1 1 16 16 TYR CA C 13 56.50 0.30 . 1 . . . . 520 TYR CA . 16910 1 101 . 1 1 16 16 TYR CB C 13 40.10 0.30 . 1 . . . . 520 TYR CB . 16910 1 102 . 1 1 16 16 TYR N N 15 125.00 0.30 . 1 . . . . 520 TYR N . 16910 1 103 . 1 1 17 17 ILE H H 1 8.73 0.02 . 1 . . . . 521 ILE H . 16910 1 104 . 1 1 17 17 ILE HA H 1 4.63 0.02 . 1 . . . . 521 ILE HA . 16910 1 105 . 1 1 17 17 ILE HB H 1 1.78 0.02 . 1 . . . . 521 ILE HB . 16910 1 106 . 1 1 17 17 ILE C C 13 173.40 0.30 . 1 . . . . 521 ILE C . 16910 1 107 . 1 1 17 17 ILE CA C 13 59.50 0.30 . 1 . . . . 521 ILE CA . 16910 1 108 . 1 1 17 17 ILE CB C 13 43.60 0.30 . 1 . . . . 521 ILE CB . 16910 1 109 . 1 1 17 17 ILE N N 15 119.90 0.30 . 1 . . . . 521 ILE N . 16910 1 110 . 1 1 18 18 ASP H H 1 8.07 0.02 . 1 . . . . 522 ASP H . 16910 1 111 . 1 1 18 18 ASP HA H 1 4.43 0.02 . 1 . . . . 522 ASP HA . 16910 1 112 . 1 1 18 18 ASP HB2 H 1 2.74 0.02 . 2 . . . . 522 ASP HB2 . 16910 1 113 . 1 1 18 18 ASP HB3 H 1 2.65 0.02 . 2 . . . . 522 ASP HB3 . 16910 1 114 . 1 1 18 18 ASP C C 13 177.40 0.30 . 1 . . . . 522 ASP C . 16910 1 115 . 1 1 18 18 ASP CA C 13 54.80 0.30 . 1 . . . . 522 ASP CA . 16910 1 116 . 1 1 18 18 ASP CB C 13 41.90 0.30 . 1 . . . . 522 ASP CB . 16910 1 117 . 1 1 18 18 ASP N N 15 122.70 0.30 . 1 . . . . 522 ASP N . 16910 1 118 . 1 1 19 19 ILE H H 1 8.57 0.02 . 1 . . . . 523 ILE H . 16910 1 119 . 1 1 19 19 ILE HA H 1 3.95 0.02 . 1 . . . . 523 ILE HA . 16910 1 120 . 1 1 19 19 ILE HB H 1 1.70 0.02 . 1 . . . . 523 ILE HB . 16910 1 121 . 1 1 19 19 ILE C C 13 175.60 0.30 . 1 . . . . 523 ILE C . 16910 1 122 . 1 1 19 19 ILE CA C 13 62.50 0.30 . 1 . . . . 523 ILE CA . 16910 1 123 . 1 1 19 19 ILE CB C 13 38.90 0.30 . 1 . . . . 523 ILE CB . 16910 1 124 . 1 1 19 19 ILE N N 15 125.40 0.30 . 1 . . . . 523 ILE N . 16910 1 125 . 1 1 20 20 ASP H H 1 8.43 0.02 . 1 . . . . 524 ASP H . 16910 1 126 . 1 1 20 20 ASP HA H 1 4.71 0.02 . 1 . . . . 524 ASP HA . 16910 1 127 . 1 1 20 20 ASP HB2 H 1 2.74 0.02 . 2 . . . . 524 ASP HB2 . 16910 1 128 . 1 1 20 20 ASP HB3 H 1 2.56 0.02 . 2 . . . . 524 ASP HB3 . 16910 1 129 . 1 1 20 20 ASP C C 13 177.70 0.30 . 1 . . . . 524 ASP C . 16910 1 130 . 1 1 20 20 ASP CA C 13 54.30 0.30 . 1 . . . . 524 ASP CA . 16910 1 131 . 1 1 20 20 ASP CB C 13 41.20 0.30 . 1 . . . . 524 ASP CB . 16910 1 132 . 1 1 20 20 ASP N N 15 118.20 0.30 . 1 . . . . 524 ASP N . 16910 1 133 . 1 1 21 21 ALA H H 1 8.08 0.02 . 1 . . . . 525 ALA H . 16910 1 134 . 1 1 21 21 ALA HA H 1 3.95 0.02 . 1 . . . . 525 ALA HA . 16910 1 135 . 1 1 21 21 ALA HB1 H 1 1.33 0.02 . 1 . . . . 525 ALA HB . 16910 1 136 . 1 1 21 21 ALA HB2 H 1 1.33 0.02 . 1 . . . . 525 ALA HB . 16910 1 137 . 1 1 21 21 ALA HB3 H 1 1.33 0.02 . 1 . . . . 525 ALA HB . 16910 1 138 . 1 1 21 21 ALA C C 13 177.40 0.30 . 1 . . . . 525 ALA C . 16910 1 139 . 1 1 21 21 ALA CA C 13 54.40 0.30 . 1 . . . . 525 ALA CA . 16910 1 140 . 1 1 21 21 ALA CB C 13 20.20 0.30 . 1 . . . . 525 ALA CB . 16910 1 141 . 1 1 21 21 ALA N N 15 122.60 0.30 . 1 . . . . 525 ALA N . 16910 1 142 . 1 1 22 22 TYR H H 1 6.95 0.02 . 1 . . . . 526 TYR H . 16910 1 143 . 1 1 22 22 TYR HA H 1 4.76 0.02 . 1 . . . . 526 TYR HA . 16910 1 144 . 1 1 22 22 TYR HB2 H 1 3.34 0.02 . 2 . . . . 526 TYR HB2 . 16910 1 145 . 1 1 22 22 TYR HB3 H 1 2.65 0.02 . 2 . . . . 526 TYR HB3 . 16910 1 146 . 1 1 22 22 TYR C C 13 176.10 0.30 . 1 . . . . 526 TYR C . 16910 1 147 . 1 1 22 22 TYR CA C 13 56.30 0.30 . 1 . . . . 526 TYR CA . 16910 1 148 . 1 1 22 22 TYR CB C 13 41.30 0.30 . 1 . . . . 526 TYR CB . 16910 1 149 . 1 1 22 22 TYR N N 15 110.70 0.30 . 1 . . . . 526 TYR N . 16910 1 150 . 1 1 23 23 GLU H H 1 8.96 0.02 . 1 . . . . 527 GLU H . 16910 1 151 . 1 1 23 23 GLU HA H 1 4.18 0.02 . 1 . . . . 527 GLU HA . 16910 1 152 . 1 1 23 23 GLU C C 13 177.50 0.30 . 1 . . . . 527 GLU C . 16910 1 153 . 1 1 23 23 GLU CA C 13 58.80 0.30 . 1 . . . . 527 GLU CA . 16910 1 154 . 1 1 23 23 GLU CB C 13 29.80 0.30 . 1 . . . . 527 GLU CB . 16910 1 155 . 1 1 23 23 GLU N N 15 122.90 0.30 . 1 . . . . 527 GLU N . 16910 1 156 . 1 1 24 24 GLU H H 1 8.56 0.02 . 1 . . . . 528 GLU H . 16910 1 157 . 1 1 24 24 GLU HA H 1 4.14 0.02 . 1 . . . . 528 GLU HA . 16910 1 158 . 1 1 24 24 GLU HB2 H 1 2.08 0.02 . 2 . . . . 528 GLU HB2 . 16910 1 159 . 1 1 24 24 GLU HB3 H 1 1.87 0.02 . 2 . . . . 528 GLU HB3 . 16910 1 160 . 1 1 24 24 GLU C C 13 176.50 0.30 . 1 . . . . 528 GLU C . 16910 1 161 . 1 1 24 24 GLU CA C 13 57.70 0.30 . 1 . . . . 528 GLU CA . 16910 1 162 . 1 1 24 24 GLU CB C 13 29.50 0.30 . 1 . . . . 528 GLU CB . 16910 1 163 . 1 1 24 24 GLU N N 15 114.90 0.30 . 1 . . . . 528 GLU N . 16910 1 164 . 1 1 25 25 VAL H H 1 7.17 0.02 . 1 . . . . 529 VAL H . 16910 1 165 . 1 1 25 25 VAL HA H 1 3.79 0.02 . 1 . . . . 529 VAL HA . 16910 1 166 . 1 1 25 25 VAL HB H 1 2.10 0.02 . 1 . . . . 529 VAL HB . 16910 1 167 . 1 1 25 25 VAL C C 13 175.30 0.30 . 1 . . . . 529 VAL C . 16910 1 168 . 1 1 25 25 VAL CA C 13 63.60 0.30 . 1 . . . . 529 VAL CA . 16910 1 169 . 1 1 25 25 VAL CB C 13 31.50 0.30 . 1 . . . . 529 VAL CB . 16910 1 170 . 1 1 25 25 VAL N N 15 118.00 0.30 . 1 . . . . 529 VAL N . 16910 1 171 . 1 1 26 26 LYS H H 1 8.10 0.02 . 1 . . . . 530 LYS H . 16910 1 172 . 1 1 26 26 LYS HA H 1 4.91 0.02 . 1 . . . . 530 LYS HA . 16910 1 173 . 1 1 26 26 LYS HB2 H 1 1.93 0.02 . 2 . . . . 530 LYS HB2 . 16910 1 174 . 1 1 26 26 LYS HB3 H 1 1.82 0.02 . 2 . . . . 530 LYS HB3 . 16910 1 175 . 1 1 26 26 LYS C C 13 176.90 0.30 . 1 . . . . 530 LYS C . 16910 1 176 . 1 1 26 26 LYS CA C 13 54.20 0.30 . 1 . . . . 530 LYS CA . 16910 1 177 . 1 1 26 26 LYS CB C 13 36.10 0.30 . 1 . . . . 530 LYS CB . 16910 1 178 . 1 1 26 26 LYS N N 15 124.00 0.30 . 1 . . . . 530 LYS N . 16910 1 179 . 1 1 27 27 GLU H H 1 8.85 0.02 . 1 . . . . 531 GLU H . 16910 1 180 . 1 1 27 27 GLU HA H 1 4.34 0.02 . 1 . . . . 531 GLU HA . 16910 1 181 . 1 1 27 27 GLU HB2 H 1 2.43 0.02 . 2 . . . . 531 GLU HB2 . 16910 1 182 . 1 1 27 27 GLU HB3 H 1 1.90 0.02 . 2 . . . . 531 GLU HB3 . 16910 1 183 . 1 1 27 27 GLU C C 13 176.00 0.30 . 1 . . . . 531 GLU C . 16910 1 184 . 1 1 27 27 GLU CA C 13 57.70 0.30 . 1 . . . . 531 GLU CA . 16910 1 185 . 1 1 27 27 GLU CB C 13 31.10 0.30 . 1 . . . . 531 GLU CB . 16910 1 186 . 1 1 27 27 GLU N N 15 122.00 0.30 . 1 . . . . 531 GLU N . 16910 1 187 . 1 1 28 28 ILE H H 1 9.88 0.02 . 1 . . . . 532 ILE H . 16910 1 188 . 1 1 28 28 ILE HA H 1 4.39 0.02 . 1 . . . . 532 ILE HA . 16910 1 189 . 1 1 28 28 ILE HB H 1 1.81 0.02 . 1 . . . . 532 ILE HB . 16910 1 190 . 1 1 28 28 ILE C C 13 174.50 0.30 . 1 . . . . 532 ILE C . 16910 1 191 . 1 1 28 28 ILE CA C 13 58.50 0.30 . 1 . . . . 532 ILE CA . 16910 1 192 . 1 1 28 28 ILE CB C 13 39.10 0.30 . 1 . . . . 532 ILE CB . 16910 1 193 . 1 1 28 28 ILE N N 15 127.70 0.30 . 1 . . . . 532 ILE N . 16910 1 194 . 1 1 29 29 PRO HA H 1 4.26 0.02 . 1 . . . . 533 PRO HA . 16910 1 195 . 1 1 29 29 PRO HB2 H 1 2.34 0.02 . 2 . . . . 533 PRO HB2 . 16910 1 196 . 1 1 29 29 PRO HB3 H 1 1.95 0.02 . 2 . . . . 533 PRO HB3 . 16910 1 197 . 1 1 29 29 PRO C C 13 177.50 0.30 . 1 . . . . 533 PRO C . 16910 1 198 . 1 1 29 29 PRO CA C 13 64.20 0.30 . 1 . . . . 533 PRO CA . 16910 1 199 . 1 1 29 29 PRO CB C 13 31.90 0.30 . 1 . . . . 533 PRO CB . 16910 1 200 . 1 1 30 30 GLY H H 1 8.78 0.02 . 1 . . . . 534 GLY H . 16910 1 201 . 1 1 30 30 GLY HA2 H 1 4.10 0.02 . 2 . . . . 534 GLY HA2 . 16910 1 202 . 1 1 30 30 GLY HA3 H 1 3.87 0.02 . 2 . . . . 534 GLY HA3 . 16910 1 203 . 1 1 30 30 GLY C C 13 172.40 0.30 . 1 . . . . 534 GLY C . 16910 1 204 . 1 1 30 30 GLY CA C 13 45.00 0.30 . 1 . . . . 534 GLY CA . 16910 1 205 . 1 1 30 30 GLY N N 15 111.70 0.30 . 1 . . . . 534 GLY N . 16910 1 206 . 1 1 31 31 ILE H H 1 8.02 0.02 . 1 . . . . 535 ILE H . 16910 1 207 . 1 1 31 31 ILE HA H 1 5.03 0.02 . 1 . . . . 535 ILE HA . 16910 1 208 . 1 1 31 31 ILE HB H 1 1.55 0.02 . 1 . . . . 535 ILE HB . 16910 1 209 . 1 1 31 31 ILE C C 13 175.80 0.30 . 1 . . . . 535 ILE C . 16910 1 210 . 1 1 31 31 ILE CA C 13 59.60 0.30 . 1 . . . . 535 ILE CA . 16910 1 211 . 1 1 31 31 ILE CB C 13 41.50 0.30 . 1 . . . . 535 ILE CB . 16910 1 212 . 1 1 31 31 ILE N N 15 120.30 0.30 . 1 . . . . 535 ILE N . 16910 1 213 . 1 1 32 32 LYS H H 1 8.34 0.02 . 1 . . . . 536 LYS H . 16910 1 214 . 1 1 32 32 LYS HA H 1 4.65 0.02 . 1 . . . . 536 LYS HA . 16910 1 215 . 1 1 32 32 LYS HB2 H 1 1.43 0.02 . 2 . . . . 536 LYS HB2 . 16910 1 216 . 1 1 32 32 LYS HB3 H 1 1.36 0.02 . 2 . . . . 536 LYS HB3 . 16910 1 217 . 1 1 32 32 LYS C C 13 173.80 0.30 . 1 . . . . 536 LYS C . 16910 1 218 . 1 1 32 32 LYS CA C 13 52.60 0.30 . 1 . . . . 536 LYS CA . 16910 1 219 . 1 1 32 32 LYS CB C 13 34.50 0.30 . 1 . . . . 536 LYS CB . 16910 1 220 . 1 1 32 32 LYS N N 15 128.10 0.30 . 1 . . . . 536 LYS N . 16910 1 221 . 1 1 33 33 ILE H H 1 8.99 0.02 . 1 . . . . 537 ILE H . 16910 1 222 . 1 1 33 33 ILE HA H 1 4.78 0.02 . 1 . . . . 537 ILE HA . 16910 1 223 . 1 1 33 33 ILE HB H 1 1.81 0.02 . 1 . . . . 537 ILE HB . 16910 1 224 . 1 1 33 33 ILE C C 13 174.70 0.30 . 1 . . . . 537 ILE C . 16910 1 225 . 1 1 33 33 ILE CA C 13 60.10 0.30 . 1 . . . . 537 ILE CA . 16910 1 226 . 1 1 33 33 ILE CB C 13 38.90 0.30 . 1 . . . . 537 ILE CB . 16910 1 227 . 1 1 33 33 ILE N N 15 125.40 0.30 . 1 . . . . 537 ILE N . 16910 1 228 . 1 1 34 34 PHE H H 1 9.06 0.02 . 1 . . . . 538 PHE H . 16910 1 229 . 1 1 34 34 PHE HA H 1 5.51 0.02 . 1 . . . . 538 PHE HA . 16910 1 230 . 1 1 34 34 PHE HB2 H 1 2.83 0.02 . 2 . . . . 538 PHE HB2 . 16910 1 231 . 1 1 34 34 PHE HB3 H 1 2.63 0.02 . 2 . . . . 538 PHE HB3 . 16910 1 232 . 1 1 34 34 PHE C C 13 174.70 0.30 . 1 . . . . 538 PHE C . 16910 1 233 . 1 1 34 34 PHE CA C 13 54.40 0.30 . 1 . . . . 538 PHE CA . 16910 1 234 . 1 1 34 34 PHE CB C 13 42.00 0.30 . 1 . . . . 538 PHE CB . 16910 1 235 . 1 1 34 34 PHE N N 15 123.30 0.30 . 1 . . . . 538 PHE N . 16910 1 236 . 1 1 35 35 GLN H H 1 9.89 0.02 . 1 . . . . 539 GLN H . 16910 1 237 . 1 1 35 35 GLN HA H 1 4.81 0.02 . 1 . . . . 539 GLN HA . 16910 1 238 . 1 1 35 35 GLN HB2 H 1 2.30 0.02 . 2 . . . . 539 GLN HB2 . 16910 1 239 . 1 1 35 35 GLN HB3 H 1 1.92 0.02 . 2 . . . . 539 GLN HB3 . 16910 1 240 . 1 1 35 35 GLN C C 13 174.60 0.30 . 1 . . . . 539 GLN C . 16910 1 241 . 1 1 35 35 GLN CA C 13 55.30 0.30 . 1 . . . . 539 GLN CA . 16910 1 242 . 1 1 35 35 GLN CB C 13 32.50 0.30 . 1 . . . . 539 GLN CB . 16910 1 243 . 1 1 35 35 GLN N N 15 124.00 0.30 . 1 . . . . 539 GLN N . 16910 1 244 . 1 1 36 36 ILE H H 1 7.78 0.02 . 1 . . . . 540 ILE H . 16910 1 245 . 1 1 36 36 ILE HA H 1 3.96 0.02 . 1 . . . . 540 ILE HA . 16910 1 246 . 1 1 36 36 ILE HB H 1 1.55 0.02 . 1 . . . . 540 ILE HB . 16910 1 247 . 1 1 36 36 ILE C C 13 176.00 0.30 . 1 . . . . 540 ILE C . 16910 1 248 . 1 1 36 36 ILE CA C 13 60.80 0.30 . 1 . . . . 540 ILE CA . 16910 1 249 . 1 1 36 36 ILE CB C 13 36.10 0.30 . 1 . . . . 540 ILE CB . 16910 1 250 . 1 1 36 36 ILE N N 15 126.90 0.30 . 1 . . . . 540 ILE N . 16910 1 251 . 1 1 53 53 LYS HA H 1 4.16 0.02 . 1 . . . . 557 LYS HA . 16910 1 252 . 1 1 53 53 LYS C C 13 176.80 0.30 . 1 . . . . 557 LYS C . 16910 1 253 . 1 1 53 53 LYS CA C 13 56.90 0.30 . 1 . . . . 557 LYS CA . 16910 1 254 . 1 1 53 53 LYS CB C 13 32.60 0.30 . 1 . . . . 557 LYS CB . 16910 1 255 . 1 1 54 54 ARG HA H 1 4.19 0.02 . 1 . . . . 558 ARG HA . 16910 1 256 . 1 1 54 54 ARG HB2 H 1 1.74 0.02 . 2 . . . . 558 ARG HB2 . 16910 1 257 . 1 1 54 54 ARG HB3 H 1 1.69 0.02 . 2 . . . . 558 ARG HB3 . 16910 1 258 . 1 1 54 54 ARG CA C 13 56.90 0.30 . 1 . . . . 558 ARG CA . 16910 1 259 . 1 1 54 54 ARG CB C 13 30.30 0.30 . 1 . . . . 558 ARG CB . 16910 1 260 . 1 1 55 55 LYS H H 1 8.45 0.02 . 1 . . . . 559 LYS H . 16910 1 261 . 1 1 55 55 LYS HA H 1 4.43 0.02 . 1 . . . . 559 LYS HA . 16910 1 262 . 1 1 55 55 LYS HB2 H 1 1.92 0.02 . 2 . . . . 559 LYS HB2 . 16910 1 263 . 1 1 55 55 LYS HB3 H 1 1.84 0.02 . 2 . . . . 559 LYS HB3 . 16910 1 264 . 1 1 55 55 LYS C C 13 176.90 0.30 . 1 . . . . 559 LYS C . 16910 1 265 . 1 1 55 55 LYS CA C 13 56.20 0.30 . 1 . . . . 559 LYS CA . 16910 1 266 . 1 1 55 55 LYS CB C 13 33.10 0.30 . 1 . . . . 559 LYS CB . 16910 1 267 . 1 1 56 56 THR H H 1 8.11 0.02 . 1 . . . . 560 THR H . 16910 1 268 . 1 1 56 56 THR HA H 1 4.39 0.02 . 1 . . . . 560 THR HA . 16910 1 269 . 1 1 56 56 THR HB H 1 4.27 0.02 . 1 . . . . 560 THR HB . 16910 1 270 . 1 1 56 56 THR C C 13 175.20 0.30 . 1 . . . . 560 THR C . 16910 1 271 . 1 1 56 56 THR CA C 13 62.00 0.30 . 1 . . . . 560 THR CA . 16910 1 272 . 1 1 56 56 THR CB C 13 69.80 0.30 . 1 . . . . 560 THR CB . 16910 1 273 . 1 1 56 56 THR N N 15 113.30 0.30 . 1 . . . . 560 THR N . 16910 1 274 . 1 1 57 57 GLY H H 1 8.39 0.02 . 1 . . . . 561 GLY H . 16910 1 275 . 1 1 57 57 GLY HA2 H 1 4.07 0.02 . 2 . . . . 561 GLY HA2 . 16910 1 276 . 1 1 57 57 GLY HA3 H 1 4.01 0.02 . 2 . . . . 561 GLY HA3 . 16910 1 277 . 1 1 57 57 GLY C C 13 174.70 0.30 . 1 . . . . 561 GLY C . 16910 1 278 . 1 1 57 57 GLY CA C 13 45.40 0.30 . 1 . . . . 561 GLY CA . 16910 1 279 . 1 1 57 57 GLY N N 15 110.80 0.30 . 1 . . . . 561 GLY N . 16910 1 280 . 1 1 58 58 VAL H H 1 8.07 0.02 . 1 . . . . 562 VAL H . 16910 1 281 . 1 1 58 58 VAL HA H 1 4.16 0.02 . 1 . . . . 562 VAL HA . 16910 1 282 . 1 1 58 58 VAL HB H 1 2.14 0.02 . 1 . . . . 562 VAL HB . 16910 1 283 . 1 1 58 58 VAL C C 13 176.50 0.30 . 1 . . . . 562 VAL C . 16910 1 284 . 1 1 58 58 VAL CA C 13 62.60 0.30 . 1 . . . . 562 VAL CA . 16910 1 285 . 1 1 58 58 VAL CB C 13 32.50 0.30 . 1 . . . . 562 VAL CB . 16910 1 286 . 1 1 58 58 VAL N N 15 118.90 0.30 . 1 . . . . 562 VAL N . 16910 1 287 . 1 1 59 59 ASN H H 1 8.67 0.02 . 1 . . . . 563 ASN H . 16910 1 288 . 1 1 59 59 ASN HA H 1 4.78 0.02 . 1 . . . . 563 ASN HA . 16910 1 289 . 1 1 59 59 ASN HB2 H 1 2.93 0.02 . 2 . . . . 563 ASN HB2 . 16910 1 290 . 1 1 59 59 ASN HB3 H 1 2.82 0.02 . 2 . . . . 563 ASN HB3 . 16910 1 291 . 1 1 59 59 ASN C C 13 175.90 0.30 . 1 . . . . 563 ASN C . 16910 1 292 . 1 1 59 59 ASN CA C 13 53.60 0.30 . 1 . . . . 563 ASN CA . 16910 1 293 . 1 1 59 59 ASN CB C 13 38.80 0.30 . 1 . . . . 563 ASN CB . 16910 1 294 . 1 1 59 59 ASN N N 15 121.50 0.30 . 1 . . . . 563 ASN N . 16910 1 295 . 1 1 60 60 GLY H H 1 8.46 0.02 . 1 . . . . 635 GLY H . 16910 1 296 . 1 1 60 60 GLY HA2 H 1 4.09 0.02 . 2 . . . . 635 GLY HA2 . 16910 1 297 . 1 1 60 60 GLY HA3 H 1 3.98 0.02 . 2 . . . . 635 GLY HA3 . 16910 1 298 . 1 1 60 60 GLY C C 13 174.70 0.30 . 1 . . . . 635 GLY C . 16910 1 299 . 1 1 60 60 GLY CA C 13 45.50 0.30 . 1 . . . . 635 GLY CA . 16910 1 300 . 1 1 60 60 GLY N N 15 109.60 0.30 . 1 . . . . 635 GLY N . 16910 1 301 . 1 1 61 61 SER H H 1 8.26 0.02 . 1 . . . . 636 SER H . 16910 1 302 . 1 1 61 61 SER HA H 1 4.50 0.02 . 1 . . . . 636 SER HA . 16910 1 303 . 1 1 61 61 SER HB2 H 1 3.96 0.02 . 2 . . . . 636 SER HB2 . 16910 1 304 . 1 1 61 61 SER HB3 H 1 3.92 0.02 . 2 . . . . 636 SER HB3 . 16910 1 305 . 1 1 61 61 SER C C 13 174.70 0.30 . 1 . . . . 636 SER C . 16910 1 306 . 1 1 61 61 SER CA C 13 58.80 0.30 . 1 . . . . 636 SER CA . 16910 1 307 . 1 1 61 61 SER CB C 13 63.90 0.30 . 1 . . . . 636 SER CB . 16910 1 308 . 1 1 61 61 SER N N 15 115.60 0.30 . 1 . . . . 636 SER N . 16910 1 309 . 1 1 62 62 GLU H H 1 8.55 0.02 . 1 . . . . 637 GLU H . 16910 1 310 . 1 1 62 62 GLU HA H 1 4.34 0.02 . 1 . . . . 637 GLU HA . 16910 1 311 . 1 1 62 62 GLU HB2 H 1 2.09 0.02 . 2 . . . . 637 GLU HB2 . 16910 1 312 . 1 1 62 62 GLU HB3 H 1 1.96 0.02 . 2 . . . . 637 GLU HB3 . 16910 1 313 . 1 1 62 62 GLU C C 13 176.20 0.30 . 1 . . . . 637 GLU C . 16910 1 314 . 1 1 62 62 GLU CA C 13 56.70 0.30 . 1 . . . . 637 GLU CA . 16910 1 315 . 1 1 62 62 GLU CB C 13 30.10 0.30 . 1 . . . . 637 GLU CB . 16910 1 316 . 1 1 62 62 GLU N N 15 121.90 0.30 . 1 . . . . 637 GLU N . 16910 1 317 . 1 1 63 63 ASN H H 1 8.52 0.02 . 1 . . . . 638 ASN H . 16910 1 318 . 1 1 63 63 ASN HA H 1 4.70 0.02 . 1 . . . . 638 ASN HA . 16910 1 319 . 1 1 63 63 ASN HB2 H 1 2.86 0.02 . 2 . . . . 638 ASN HB2 . 16910 1 320 . 1 1 63 63 ASN HB3 H 1 2.78 0.02 . 2 . . . . 638 ASN HB3 . 16910 1 321 . 1 1 63 63 ASN C C 13 174.50 0.30 . 1 . . . . 638 ASN C . 16910 1 322 . 1 1 63 63 ASN CA C 13 53.30 0.30 . 1 . . . . 638 ASN CA . 16910 1 323 . 1 1 63 63 ASN CB C 13 38.60 0.30 . 1 . . . . 638 ASN CB . 16910 1 324 . 1 1 63 63 ASN N N 15 119.40 0.30 . 1 . . . . 638 ASN N . 16910 1 325 . 1 1 64 64 ILE H H 1 7.96 0.02 . 1 . . . . 639 ILE H . 16910 1 326 . 1 1 64 64 ILE HA H 1 3.93 0.02 . 1 . . . . 639 ILE HA . 16910 1 327 . 1 1 64 64 ILE HB H 1 1.81 0.02 . 1 . . . . 639 ILE HB . 16910 1 328 . 1 1 64 64 ILE C C 13 175.10 0.30 . 1 . . . . 639 ILE C . 16910 1 329 . 1 1 64 64 ILE CA C 13 59.20 0.30 . 1 . . . . 639 ILE CA . 16910 1 330 . 1 1 64 64 ILE CB C 13 38.60 0.30 . 1 . . . . 639 ILE CB . 16910 1 331 . 1 1 64 64 ILE N N 15 121.20 0.30 . 1 . . . . 639 ILE N . 16910 1 332 . 1 1 65 65 HIS H H 1 9.13 0.02 . 1 . . . . 640 HIS H . 16910 1 333 . 1 1 65 65 HIS HA H 1 5.10 0.02 . 1 . . . . 640 HIS HA . 16910 1 334 . 1 1 65 65 HIS HB2 H 1 3.25 0.02 . 2 . . . . 640 HIS HB2 . 16910 1 335 . 1 1 65 65 HIS HB3 H 1 3.08 0.02 . 2 . . . . 640 HIS HB3 . 16910 1 336 . 1 1 65 65 HIS C C 13 176.30 0.30 . 1 . . . . 640 HIS C . 16910 1 337 . 1 1 65 65 HIS CA C 13 55.30 0.30 . 1 . . . . 640 HIS CA . 16910 1 338 . 1 1 65 65 HIS CB C 13 32.50 0.30 . 1 . . . . 640 HIS CB . 16910 1 339 . 1 1 65 65 HIS N N 15 121.70 0.30 . 1 . . . . 640 HIS N . 16910 1 340 . 1 1 66 66 THR H H 1 7.39 0.02 . 1 . . . . 641 THR H . 16910 1 341 . 1 1 66 66 THR HA H 1 5.17 0.02 . 1 . . . . 641 THR HA . 16910 1 342 . 1 1 66 66 THR HB H 1 3.73 0.02 . 1 . . . . 641 THR HB . 16910 1 343 . 1 1 66 66 THR C C 13 171.50 0.30 . 1 . . . . 641 THR C . 16910 1 344 . 1 1 66 66 THR CA C 13 62.20 0.30 . 1 . . . . 641 THR CA . 16910 1 345 . 1 1 66 66 THR CB C 13 73.60 0.30 . 1 . . . . 641 THR CB . 16910 1 346 . 1 1 66 66 THR N N 15 119.60 0.30 . 1 . . . . 641 THR N . 16910 1 347 . 1 1 67 67 VAL H H 1 9.11 0.02 . 1 . . . . 642 VAL H . 16910 1 348 . 1 1 67 67 VAL HA H 1 4.67 0.02 . 1 . . . . 642 VAL HA . 16910 1 349 . 1 1 67 67 VAL HB H 1 1.50 0.02 . 1 . . . . 642 VAL HB . 16910 1 350 . 1 1 67 67 VAL C C 13 174.00 0.30 . 1 . . . . 642 VAL C . 16910 1 351 . 1 1 67 67 VAL CA C 13 60.10 0.30 . 1 . . . . 642 VAL CA . 16910 1 352 . 1 1 67 67 VAL CB C 13 34.20 0.30 . 1 . . . . 642 VAL CB . 16910 1 353 . 1 1 67 67 VAL N N 15 127.50 0.30 . 1 . . . . 642 VAL N . 16910 1 354 . 1 1 68 68 ILE H H 1 9.29 0.02 . 1 . . . . 643 ILE H . 16910 1 355 . 1 1 68 68 ILE HA H 1 4.70 0.02 . 1 . . . . 643 ILE HA . 16910 1 356 . 1 1 68 68 ILE HB H 1 1.56 0.02 . 1 . . . . 643 ILE HB . 16910 1 357 . 1 1 68 68 ILE C C 13 174.10 0.30 . 1 . . . . 643 ILE C . 16910 1 358 . 1 1 68 68 ILE CA C 13 59.80 0.30 . 1 . . . . 643 ILE CA . 16910 1 359 . 1 1 68 68 ILE CB C 13 40.00 0.30 . 1 . . . . 643 ILE CB . 16910 1 360 . 1 1 68 68 ILE N N 15 126.40 0.30 . 1 . . . . 643 ILE N . 16910 1 361 . 1 1 69 69 LEU H H 1 9.10 0.02 . 1 . . . . 644 LEU H . 16910 1 362 . 1 1 69 69 LEU HA H 1 5.31 0.02 . 1 . . . . 644 LEU HA . 16910 1 363 . 1 1 69 69 LEU HB2 H 1 2.20 0.02 . 2 . . . . 644 LEU HB2 . 16910 1 364 . 1 1 69 69 LEU HB3 H 1 1.14 0.02 . 2 . . . . 644 LEU HB3 . 16910 1 365 . 1 1 69 69 LEU C C 13 175.00 0.30 . 1 . . . . 644 LEU C . 16910 1 366 . 1 1 69 69 LEU CA C 13 52.40 0.30 . 1 . . . . 644 LEU CA . 16910 1 367 . 1 1 69 69 LEU CB C 13 43.30 0.30 . 1 . . . . 644 LEU CB . 16910 1 368 . 1 1 69 69 LEU N N 15 126.00 0.30 . 1 . . . . 644 LEU N . 16910 1 369 . 1 1 70 70 ASP H H 1 9.22 0.02 . 1 . . . . 645 ASP H . 16910 1 370 . 1 1 70 70 ASP HA H 1 5.28 0.02 . 1 . . . . 645 ASP HA . 16910 1 371 . 1 1 70 70 ASP HB2 H 1 2.71 0.02 . 2 . . . . 645 ASP HB2 . 16910 1 372 . 1 1 70 70 ASP HB3 H 1 2.26 0.02 . 2 . . . . 645 ASP HB3 . 16910 1 373 . 1 1 70 70 ASP C C 13 177.50 0.30 . 1 . . . . 645 ASP C . 16910 1 374 . 1 1 70 70 ASP CA C 13 53.60 0.30 . 1 . . . . 645 ASP CA . 16910 1 375 . 1 1 70 70 ASP CB C 13 43.20 0.30 . 1 . . . . 645 ASP CB . 16910 1 376 . 1 1 70 70 ASP N N 15 122.80 0.30 . 1 . . . . 645 ASP N . 16910 1 377 . 1 1 71 71 PHE H H 1 9.75 0.02 . 1 . . . . 646 PHE H . 16910 1 378 . 1 1 71 71 PHE HA H 1 4.53 0.02 . 1 . . . . 646 PHE HA . 16910 1 379 . 1 1 71 71 PHE HB2 H 1 3.53 0.02 . 2 . . . . 646 PHE HB2 . 16910 1 380 . 1 1 71 71 PHE HB3 H 1 2.97 0.02 . 2 . . . . 646 PHE HB3 . 16910 1 381 . 1 1 71 71 PHE C C 13 177.50 0.30 . 1 . . . . 646 PHE C . 16910 1 382 . 1 1 71 71 PHE CA C 13 58.40 0.30 . 1 . . . . 646 PHE CA . 16910 1 383 . 1 1 71 71 PHE CB C 13 40.40 0.30 . 1 . . . . 646 PHE CB . 16910 1 384 . 1 1 71 71 PHE N N 15 128.40 0.30 . 1 . . . . 646 PHE N . 16910 1 385 . 1 1 72 72 THR H H 1 8.90 0.02 . 1 . . . . 647 THR H . 16910 1 386 . 1 1 72 72 THR HA H 1 4.15 0.02 . 1 . . . . 647 THR HA . 16910 1 387 . 1 1 72 72 THR HB H 1 4.22 0.02 . 1 . . . . 647 THR HB . 16910 1 388 . 1 1 72 72 THR C C 13 176.70 0.30 . 1 . . . . 647 THR C . 16910 1 389 . 1 1 72 72 THR CA C 13 68.00 0.30 . 1 . . . . 647 THR CA . 16910 1 390 . 1 1 72 72 THR CB C 13 69.30 0.30 . 1 . . . . 647 THR CB . 16910 1 391 . 1 1 72 72 THR N N 15 119.80 0.30 . 1 . . . . 647 THR N . 16910 1 392 . 1 1 73 73 GLN H H 1 9.76 0.02 . 1 . . . . 648 GLN H . 16910 1 393 . 1 1 73 73 GLN HA H 1 4.37 0.02 . 1 . . . . 648 GLN HA . 16910 1 394 . 1 1 73 73 GLN HB2 H 1 2.38 0.02 . 2 . . . . 648 GLN HB2 . 16910 1 395 . 1 1 73 73 GLN HB3 H 1 1.96 0.02 . 2 . . . . 648 GLN HB3 . 16910 1 396 . 1 1 73 73 GLN C C 13 175.60 0.30 . 1 . . . . 648 GLN C . 16910 1 397 . 1 1 73 73 GLN CA C 13 55.10 0.30 . 1 . . . . 648 GLN CA . 16910 1 398 . 1 1 73 73 GLN CB C 13 28.10 0.30 . 1 . . . . 648 GLN CB . 16910 1 399 . 1 1 73 73 GLN N N 15 117.50 0.30 . 1 . . . . 648 GLN N . 16910 1 400 . 1 1 80 80 VAL H H 1 7.71 0.02 . 1 . . . . 655 VAL H . 16910 1 401 . 1 1 80 80 VAL HA H 1 3.77 0.02 . 1 . . . . 655 VAL HA . 16910 1 402 . 1 1 80 80 VAL HB H 1 2.13 0.02 . 1 . . . . 655 VAL HB . 16910 1 403 . 1 1 80 80 VAL C C 13 179.80 0.30 . 1 . . . . 655 VAL C . 16910 1 404 . 1 1 80 80 VAL CA C 13 66.00 0.30 . 1 . . . . 655 VAL CA . 16910 1 405 . 1 1 80 80 VAL CB C 13 31.50 0.30 . 1 . . . . 655 VAL CB . 16910 1 406 . 1 1 80 80 VAL N N 15 122.90 0.30 . 1 . . . . 655 VAL N . 16910 1 407 . 1 1 81 81 GLY H H 1 8.65 0.02 . 1 . . . . 656 GLY H . 16910 1 408 . 1 1 81 81 GLY HA2 H 1 4.04 0.02 . 2 . . . . 656 GLY HA2 . 16910 1 409 . 1 1 81 81 GLY HA3 H 1 3.86 0.02 . 2 . . . . 656 GLY HA3 . 16910 1 410 . 1 1 81 81 GLY C C 13 174.70 0.30 . 1 . . . . 656 GLY C . 16910 1 411 . 1 1 81 81 GLY CA C 13 47.50 0.30 . 1 . . . . 656 GLY CA . 16910 1 412 . 1 1 81 81 GLY N N 15 113.60 0.30 . 1 . . . . 656 GLY N . 16910 1 413 . 1 1 82 82 VAL H H 1 8.68 0.02 . 1 . . . . 657 VAL H . 16910 1 414 . 1 1 82 82 VAL HA H 1 3.42 0.02 . 1 . . . . 657 VAL HA . 16910 1 415 . 1 1 82 82 VAL HB H 1 2.08 0.02 . 1 . . . . 657 VAL HB . 16910 1 416 . 1 1 82 82 VAL C C 13 177.30 0.30 . 1 . . . . 657 VAL C . 16910 1 417 . 1 1 82 82 VAL CA C 13 67.90 0.30 . 1 . . . . 657 VAL CA . 16910 1 418 . 1 1 82 82 VAL CB C 13 31.20 0.30 . 1 . . . . 657 VAL CB . 16910 1 419 . 1 1 82 82 VAL N N 15 121.60 0.30 . 1 . . . . 657 VAL N . 16910 1 420 . 1 1 83 83 LYS H H 1 8.01 0.02 . 1 . . . . 658 LYS H . 16910 1 421 . 1 1 83 83 LYS HA H 1 4.15 0.02 . 1 . . . . 658 LYS HA . 16910 1 422 . 1 1 83 83 LYS C C 13 180.60 0.30 . 1 . . . . 658 LYS C . 16910 1 423 . 1 1 83 83 LYS CA C 13 59.60 0.30 . 1 . . . . 658 LYS CA . 16910 1 424 . 1 1 83 83 LYS CB C 13 32.20 0.30 . 1 . . . . 658 LYS CB . 16910 1 425 . 1 1 83 83 LYS N N 15 120.30 0.30 . 1 . . . . 658 LYS N . 16910 1 426 . 1 1 84 84 THR H H 1 8.50 0.02 . 1 . . . . 659 THR H . 16910 1 427 . 1 1 84 84 THR HA H 1 3.98 0.02 . 1 . . . . 659 THR HA . 16910 1 428 . 1 1 84 84 THR HB H 1 4.46 0.02 . 1 . . . . 659 THR HB . 16910 1 429 . 1 1 84 84 THR C C 13 177.10 0.30 . 1 . . . . 659 THR C . 16910 1 430 . 1 1 84 84 THR CA C 13 66.70 0.30 . 1 . . . . 659 THR CA . 16910 1 431 . 1 1 84 84 THR CB C 13 68.30 0.30 . 1 . . . . 659 THR CB . 16910 1 432 . 1 1 84 84 THR N N 15 118.10 0.30 . 1 . . . . 659 THR N . 16910 1 433 . 1 1 85 85 LEU H H 1 8.48 0.02 . 1 . . . . 660 LEU H . 16910 1 434 . 1 1 85 85 LEU HA H 1 4.13 0.02 . 1 . . . . 660 LEU HA . 16910 1 435 . 1 1 85 85 LEU HB2 H 1 2.06 0.02 . 2 . . . . 660 LEU HB2 . 16910 1 436 . 1 1 85 85 LEU HB3 H 1 1.42 0.02 . 2 . . . . 660 LEU HB3 . 16910 1 437 . 1 1 85 85 LEU C C 13 178.10 0.30 . 1 . . . . 660 LEU C . 16910 1 438 . 1 1 85 85 LEU CA C 13 58.00 0.30 . 1 . . . . 660 LEU CA . 16910 1 439 . 1 1 85 85 LEU CB C 13 41.80 0.30 . 1 . . . . 660 LEU CB . 16910 1 440 . 1 1 85 85 LEU N N 15 124.40 0.30 . 1 . . . . 660 LEU N . 16910 1 441 . 1 1 86 86 ALA H H 1 9.03 0.02 . 1 . . . . 661 ALA H . 16910 1 442 . 1 1 86 86 ALA HA H 1 4.06 0.02 . 1 . . . . 661 ALA HA . 16910 1 443 . 1 1 86 86 ALA HB1 H 1 1.60 0.02 . 1 . . . . 661 ALA HB . 16910 1 444 . 1 1 86 86 ALA HB2 H 1 1.60 0.02 . 1 . . . . 661 ALA HB . 16910 1 445 . 1 1 86 86 ALA HB3 H 1 1.60 0.02 . 1 . . . . 661 ALA HB . 16910 1 446 . 1 1 86 86 ALA C C 13 181.00 0.30 . 1 . . . . 661 ALA C . 16910 1 447 . 1 1 86 86 ALA CA C 13 55.70 0.30 . 1 . . . . 661 ALA CA . 16910 1 448 . 1 1 86 86 ALA CB C 13 17.80 0.30 . 1 . . . . 661 ALA CB . 16910 1 449 . 1 1 86 86 ALA N N 15 121.20 0.30 . 1 . . . . 661 ALA N . 16910 1 450 . 1 1 87 87 GLY H H 1 8.02 0.02 . 1 . . . . 662 GLY H . 16910 1 451 . 1 1 87 87 GLY HA2 H 1 4.08 0.02 . 2 . . . . 662 GLY HA2 . 16910 1 452 . 1 1 87 87 GLY HA3 H 1 4.00 0.02 . 2 . . . . 662 GLY HA3 . 16910 1 453 . 1 1 87 87 GLY C C 13 176.10 0.30 . 1 . . . . 662 GLY C . 16910 1 454 . 1 1 87 87 GLY CA C 13 47.20 0.30 . 1 . . . . 662 GLY CA . 16910 1 455 . 1 1 87 87 GLY N N 15 106.20 0.30 . 1 . . . . 662 GLY N . 16910 1 456 . 1 1 88 88 ILE H H 1 8.07 0.02 . 1 . . . . 663 ILE H . 16910 1 457 . 1 1 88 88 ILE HA H 1 3.90 0.02 . 1 . . . . 663 ILE HA . 16910 1 458 . 1 1 88 88 ILE HB H 1 2.19 0.02 . 1 . . . . 663 ILE HB . 16910 1 459 . 1 1 88 88 ILE C C 13 177.90 0.30 . 1 . . . . 663 ILE C . 16910 1 460 . 1 1 88 88 ILE CA C 13 65.00 0.30 . 1 . . . . 663 ILE CA . 16910 1 461 . 1 1 88 88 ILE CB C 13 38.50 0.30 . 1 . . . . 663 ILE CB . 16910 1 462 . 1 1 88 88 ILE N N 15 124.50 0.30 . 1 . . . . 663 ILE N . 16910 1 463 . 1 1 89 89 VAL H H 1 8.44 0.02 . 1 . . . . 664 VAL H . 16910 1 464 . 1 1 89 89 VAL HA H 1 3.62 0.02 . 1 . . . . 664 VAL HA . 16910 1 465 . 1 1 89 89 VAL HB H 1 2.28 0.02 . 1 . . . . 664 VAL HB . 16910 1 466 . 1 1 89 89 VAL C C 13 179.50 0.30 . 1 . . . . 664 VAL C . 16910 1 467 . 1 1 89 89 VAL CA C 13 67.30 0.30 . 1 . . . . 664 VAL CA . 16910 1 468 . 1 1 89 89 VAL CB C 13 31.70 0.30 . 1 . . . . 664 VAL CB . 16910 1 469 . 1 1 89 89 VAL N N 15 118.60 0.30 . 1 . . . . 664 VAL N . 16910 1 470 . 1 1 90 90 LYS H H 1 7.94 0.02 . 1 . . . . 665 LYS H . 16910 1 471 . 1 1 90 90 LYS HA H 1 4.15 0.02 . 1 . . . . 665 LYS HA . 16910 1 472 . 1 1 90 90 LYS HB2 H 1 2.07 0.02 . 2 . . . . 665 LYS HB2 . 16910 1 473 . 1 1 90 90 LYS HB3 H 1 1.95 0.02 . 2 . . . . 665 LYS HB3 . 16910 1 474 . 1 1 90 90 LYS C C 13 177.90 0.30 . 1 . . . . 665 LYS C . 16910 1 475 . 1 1 90 90 LYS CA C 13 59.50 0.30 . 1 . . . . 665 LYS CA . 16910 1 476 . 1 1 90 90 LYS CB C 13 32.70 0.30 . 1 . . . . 665 LYS CB . 16910 1 477 . 1 1 90 90 LYS N N 15 120.80 0.30 . 1 . . . . 665 LYS N . 16910 1 478 . 1 1 91 91 GLU H H 1 8.47 0.02 . 1 . . . . 666 GLU H . 16910 1 479 . 1 1 91 91 GLU HA H 1 4.03 0.02 . 1 . . . . 666 GLU HA . 16910 1 480 . 1 1 91 91 GLU HB2 H 1 2.08 0.02 . 2 . . . . 666 GLU HB2 . 16910 1 481 . 1 1 91 91 GLU HB3 H 1 1.97 0.02 . 2 . . . . 666 GLU HB3 . 16910 1 482 . 1 1 91 91 GLU C C 13 180.50 0.30 . 1 . . . . 666 GLU C . 16910 1 483 . 1 1 91 91 GLU CA C 13 59.60 0.30 . 1 . . . . 666 GLU CA . 16910 1 484 . 1 1 91 91 GLU CB C 13 29.40 0.30 . 1 . . . . 666 GLU CB . 16910 1 485 . 1 1 91 91 GLU N N 15 119.60 0.30 . 1 . . . . 666 GLU N . 16910 1 486 . 1 1 92 92 TYR H H 1 8.13 0.02 . 1 . . . . 667 TYR H . 16910 1 487 . 1 1 92 92 TYR HA H 1 4.21 0.02 . 1 . . . . 667 TYR HA . 16910 1 488 . 1 1 92 92 TYR HB2 H 1 2.96 0.02 . 2 . . . . 667 TYR HB2 . 16910 1 489 . 1 1 92 92 TYR HB3 H 1 2.79 0.02 . 2 . . . . 667 TYR HB3 . 16910 1 490 . 1 1 92 92 TYR C C 13 179.00 0.30 . 1 . . . . 667 TYR C . 16910 1 491 . 1 1 92 92 TYR CA C 13 62.10 0.30 . 1 . . . . 667 TYR CA . 16910 1 492 . 1 1 92 92 TYR CB C 13 36.40 0.30 . 1 . . . . 667 TYR CB . 16910 1 493 . 1 1 92 92 TYR N N 15 117.00 0.30 . 1 . . . . 667 TYR N . 16910 1 494 . 1 1 93 93 GLY H H 1 8.36 0.02 . 1 . . . . 668 GLY H . 16910 1 495 . 1 1 93 93 GLY HA2 H 1 3.96 0.02 . 2 . . . . 668 GLY HA2 . 16910 1 496 . 1 1 93 93 GLY HA3 H 1 3.82 0.02 . 2 . . . . 668 GLY HA3 . 16910 1 497 . 1 1 93 93 GLY C C 13 178.30 0.30 . 1 . . . . 668 GLY C . 16910 1 498 . 1 1 93 93 GLY CA C 13 47.50 0.30 . 1 . . . . 668 GLY CA . 16910 1 499 . 1 1 93 93 GLY N N 15 110.10 0.30 . 1 . . . . 668 GLY N . 16910 1 500 . 1 1 94 94 ASP H H 1 8.51 0.02 . 1 . . . . 669 ASP H . 16910 1 501 . 1 1 94 94 ASP HA H 1 4.54 0.02 . 1 . . . . 669 ASP HA . 16910 1 502 . 1 1 94 94 ASP HB2 H 1 2.89 0.02 . 2 . . . . 669 ASP HB2 . 16910 1 503 . 1 1 94 94 ASP HB3 H 1 2.71 0.02 . 2 . . . . 669 ASP HB3 . 16910 1 504 . 1 1 94 94 ASP C C 13 178.30 0.30 . 1 . . . . 669 ASP C . 16910 1 505 . 1 1 94 94 ASP CA C 13 56.70 0.30 . 1 . . . . 669 ASP CA . 16910 1 506 . 1 1 94 94 ASP CB C 13 40.40 0.30 . 1 . . . . 669 ASP CB . 16910 1 507 . 1 1 94 94 ASP N N 15 122.40 0.30 . 1 . . . . 669 ASP N . 16910 1 508 . 1 1 95 95 VAL H H 1 7.39 0.02 . 1 . . . . 670 VAL H . 16910 1 509 . 1 1 95 95 VAL HA H 1 4.70 0.02 . 1 . . . . 670 VAL HA . 16910 1 510 . 1 1 95 95 VAL HB H 1 2.60 0.02 . 1 . . . . 670 VAL HB . 16910 1 511 . 1 1 95 95 VAL C C 13 176.20 0.30 . 1 . . . . 670 VAL C . 16910 1 512 . 1 1 95 95 VAL CA C 13 60.20 0.30 . 1 . . . . 670 VAL CA . 16910 1 513 . 1 1 95 95 VAL CB C 13 31.00 0.30 . 1 . . . . 670 VAL CB . 16910 1 514 . 1 1 95 95 VAL N N 15 110.50 0.30 . 1 . . . . 670 VAL N . 16910 1 515 . 1 1 96 96 GLY H H 1 7.86 0.02 . 1 . . . . 671 GLY H . 16910 1 516 . 1 1 96 96 GLY HA2 H 1 4.13 0.02 . 2 . . . . 671 GLY HA2 . 16910 1 517 . 1 1 96 96 GLY HA3 H 1 3.73 0.02 . 2 . . . . 671 GLY HA3 . 16910 1 518 . 1 1 96 96 GLY C C 13 174.10 0.30 . 1 . . . . 671 GLY C . 16910 1 519 . 1 1 96 96 GLY CA C 13 46.10 0.30 . 1 . . . . 671 GLY CA . 16910 1 520 . 1 1 96 96 GLY N N 15 109.10 0.30 . 1 . . . . 671 GLY N . 16910 1 521 . 1 1 97 97 ILE H H 1 8.11 0.02 . 1 . . . . 672 ILE H . 16910 1 522 . 1 1 97 97 ILE HA H 1 4.16 0.02 . 1 . . . . 672 ILE HA . 16910 1 523 . 1 1 97 97 ILE HB H 1 1.67 0.02 . 1 . . . . 672 ILE HB . 16910 1 524 . 1 1 97 97 ILE C C 13 175.40 0.30 . 1 . . . . 672 ILE C . 16910 1 525 . 1 1 97 97 ILE CA C 13 60.80 0.30 . 1 . . . . 672 ILE CA . 16910 1 526 . 1 1 97 97 ILE CB C 13 39.40 0.30 . 1 . . . . 672 ILE CB . 16910 1 527 . 1 1 97 97 ILE N N 15 122.20 0.30 . 1 . . . . 672 ILE N . 16910 1 528 . 1 1 98 98 TYR H H 1 8.05 0.02 . 1 . . . . 673 TYR H . 16910 1 529 . 1 1 98 98 TYR HA H 1 4.01 0.02 . 1 . . . . 673 TYR HA . 16910 1 530 . 1 1 98 98 TYR HB2 H 1 2.69 0.02 . 2 . . . . 673 TYR HB2 . 16910 1 531 . 1 1 98 98 TYR HB3 H 1 2.46 0.02 . 2 . . . . 673 TYR HB3 . 16910 1 532 . 1 1 98 98 TYR C C 13 173.90 0.30 . 1 . . . . 673 TYR C . 16910 1 533 . 1 1 98 98 TYR CA C 13 59.20 0.30 . 1 . . . . 673 TYR CA . 16910 1 534 . 1 1 98 98 TYR CB C 13 39.90 0.30 . 1 . . . . 673 TYR CB . 16910 1 535 . 1 1 98 98 TYR N N 15 127.40 0.30 . 1 . . . . 673 TYR N . 16910 1 536 . 1 1 99 99 VAL H H 1 7.73 0.02 . 1 . . . . 674 VAL H . 16910 1 537 . 1 1 99 99 VAL HA H 1 5.09 0.02 . 1 . . . . 674 VAL HA . 16910 1 538 . 1 1 99 99 VAL HB H 1 1.99 0.02 . 1 . . . . 674 VAL HB . 16910 1 539 . 1 1 99 99 VAL C C 13 174.00 0.30 . 1 . . . . 674 VAL C . 16910 1 540 . 1 1 99 99 VAL CA C 13 60.30 0.30 . 1 . . . . 674 VAL CA . 16910 1 541 . 1 1 99 99 VAL CB C 13 33.20 0.30 . 1 . . . . 674 VAL CB . 16910 1 542 . 1 1 99 99 VAL N N 15 122.30 0.30 . 1 . . . . 674 VAL N . 16910 1 543 . 1 1 100 100 TYR H H 1 8.96 0.02 . 1 . . . . 675 TYR H . 16910 1 544 . 1 1 100 100 TYR HA H 1 5.83 0.02 . 1 . . . . 675 TYR HA . 16910 1 545 . 1 1 100 100 TYR HB2 H 1 3.20 0.02 . 2 . . . . 675 TYR HB2 . 16910 1 546 . 1 1 100 100 TYR HB3 H 1 2.77 0.02 . 2 . . . . 675 TYR HB3 . 16910 1 547 . 1 1 100 100 TYR C C 13 175.10 0.30 . 1 . . . . 675 TYR C . 16910 1 548 . 1 1 100 100 TYR CA C 13 52.10 0.30 . 1 . . . . 675 TYR CA . 16910 1 549 . 1 1 100 100 TYR CB C 13 40.80 0.30 . 1 . . . . 675 TYR CB . 16910 1 550 . 1 1 100 100 TYR N N 15 122.70 0.30 . 1 . . . . 675 TYR N . 16910 1 551 . 1 1 101 101 LEU H H 1 9.28 0.02 . 1 . . . . 676 LEU H . 16910 1 552 . 1 1 101 101 LEU HA H 1 5.27 0.02 . 1 . . . . 676 LEU HA . 16910 1 553 . 1 1 101 101 LEU HB2 H 1 1.88 0.02 . 2 . . . . 676 LEU HB2 . 16910 1 554 . 1 1 101 101 LEU HB3 H 1 1.14 0.02 . 2 . . . . 676 LEU HB3 . 16910 1 555 . 1 1 101 101 LEU C C 13 175.30 0.30 . 1 . . . . 676 LEU C . 16910 1 556 . 1 1 101 101 LEU CA C 13 53.60 0.30 . 1 . . . . 676 LEU CA . 16910 1 557 . 1 1 101 101 LEU CB C 13 42.60 0.30 . 1 . . . . 676 LEU CB . 16910 1 558 . 1 1 101 101 LEU N N 15 121.70 0.30 . 1 . . . . 676 LEU N . 16910 1 559 . 1 1 102 102 ALA H H 1 9.43 0.02 . 1 . . . . 677 ALA H . 16910 1 560 . 1 1 102 102 ALA HA H 1 5.46 0.02 . 1 . . . . 677 ALA HA . 16910 1 561 . 1 1 102 102 ALA HB1 H 1 1.01 0.02 . 1 . . . . 677 ALA HB . 16910 1 562 . 1 1 102 102 ALA HB2 H 1 1.01 0.02 . 1 . . . . 677 ALA HB . 16910 1 563 . 1 1 102 102 ALA HB3 H 1 1.01 0.02 . 1 . . . . 677 ALA HB . 16910 1 564 . 1 1 102 102 ALA C C 13 177.20 0.30 . 1 . . . . 677 ALA C . 16910 1 565 . 1 1 102 102 ALA CA C 13 49.40 0.30 . 1 . . . . 677 ALA CA . 16910 1 566 . 1 1 102 102 ALA CB C 13 21.40 0.30 . 1 . . . . 677 ALA CB . 16910 1 567 . 1 1 102 102 ALA N N 15 125.50 0.30 . 1 . . . . 677 ALA N . 16910 1 568 . 1 1 103 103 GLY H H 1 7.82 0.02 . 1 . . . . 678 GLY H . 16910 1 569 . 1 1 103 103 GLY HA2 H 1 4.01 0.02 . 2 . . . . 678 GLY HA2 . 16910 1 570 . 1 1 103 103 GLY HA3 H 1 3.83 0.02 . 2 . . . . 678 GLY HA3 . 16910 1 571 . 1 1 103 103 GLY CA C 13 47.30 0.30 . 1 . . . . 678 GLY CA . 16910 1 572 . 1 1 103 103 GLY N N 15 107.40 0.30 . 1 . . . . 678 GLY N . 16910 1 573 . 1 1 104 104 CYS H H 1 8.74 0.02 . 1 . . . . 679 CYS H . 16910 1 574 . 1 1 104 104 CYS HA H 1 4.13 0.02 . 1 . . . . 679 CYS HA . 16910 1 575 . 1 1 104 104 CYS HB2 H 1 2.70 0.02 . 2 . . . . 679 CYS HB2 . 16910 1 576 . 1 1 104 104 CYS HB3 H 1 2.45 0.02 . 2 . . . . 679 CYS HB3 . 16910 1 577 . 1 1 104 104 CYS C C 13 176.10 0.30 . 1 . . . . 679 CYS C . 16910 1 578 . 1 1 104 104 CYS CA C 13 60.10 0.30 . 1 . . . . 679 CYS CA . 16910 1 579 . 1 1 104 104 CYS CB C 13 27.90 0.30 . 1 . . . . 679 CYS CB . 16910 1 580 . 1 1 104 104 CYS N N 15 117.80 0.30 . 1 . . . . 679 CYS N . 16910 1 581 . 1 1 105 105 SER H H 1 9.71 0.02 . 1 . . . . 680 SER H . 16910 1 582 . 1 1 105 105 SER HA H 1 4.45 0.02 . 1 . . . . 680 SER HA . 16910 1 583 . 1 1 105 105 SER HB2 H 1 4.46 0.02 . 2 . . . . 680 SER HB2 . 16910 1 584 . 1 1 105 105 SER HB3 H 1 4.32 0.02 . 2 . . . . 680 SER HB3 . 16910 1 585 . 1 1 105 105 SER C C 13 174.20 0.30 . 1 . . . . 680 SER C . 16910 1 586 . 1 1 105 105 SER CA C 13 56.80 0.30 . 1 . . . . 680 SER CA . 16910 1 587 . 1 1 105 105 SER CB C 13 65.20 0.30 . 1 . . . . 680 SER CB . 16910 1 588 . 1 1 105 105 SER N N 15 123.90 0.30 . 1 . . . . 680 SER N . 16910 1 589 . 1 1 106 106 ALA H H 1 8.96 0.02 . 1 . . . . 681 ALA H . 16910 1 590 . 1 1 106 106 ALA HA H 1 4.04 0.02 . 1 . . . . 681 ALA HA . 16910 1 591 . 1 1 106 106 ALA HB1 H 1 1.48 0.02 . 1 . . . . 681 ALA HB . 16910 1 592 . 1 1 106 106 ALA HB2 H 1 1.48 0.02 . 1 . . . . 681 ALA HB . 16910 1 593 . 1 1 106 106 ALA HB3 H 1 1.48 0.02 . 1 . . . . 681 ALA HB . 16910 1 594 . 1 1 106 106 ALA C C 13 180.70 0.30 . 1 . . . . 681 ALA C . 16910 1 595 . 1 1 106 106 ALA CA C 13 55.50 0.30 . 1 . . . . 681 ALA CA . 16910 1 596 . 1 1 106 106 ALA CB C 13 17.60 0.30 . 1 . . . . 681 ALA CB . 16910 1 597 . 1 1 106 106 ALA N N 15 122.80 0.30 . 1 . . . . 681 ALA N . 16910 1 598 . 1 1 107 107 GLN H H 1 8.38 0.02 . 1 . . . . 682 GLN H . 16910 1 599 . 1 1 107 107 GLN HA H 1 4.03 0.02 . 1 . . . . 682 GLN HA . 16910 1 600 . 1 1 107 107 GLN HB2 H 1 2.31 0.02 . 2 . . . . 682 GLN HB2 . 16910 1 601 . 1 1 107 107 GLN HB3 H 1 2.12 0.02 . 2 . . . . 682 GLN HB3 . 16910 1 602 . 1 1 107 107 GLN C C 13 177.70 0.30 . 1 . . . . 682 GLN C . 16910 1 603 . 1 1 107 107 GLN CA C 13 58.80 0.30 . 1 . . . . 682 GLN CA . 16910 1 604 . 1 1 107 107 GLN CB C 13 28.40 0.30 . 1 . . . . 682 GLN CB . 16910 1 605 . 1 1 107 107 GLN N N 15 117.30 0.30 . 1 . . . . 682 GLN N . 16910 1 606 . 1 1 108 108 VAL H H 1 7.53 0.02 . 1 . . . . 683 VAL H . 16910 1 607 . 1 1 108 108 VAL HA H 1 3.75 0.02 . 1 . . . . 683 VAL HA . 16910 1 608 . 1 1 108 108 VAL HB H 1 2.11 0.02 . 1 . . . . 683 VAL HB . 16910 1 609 . 1 1 108 108 VAL C C 13 178.40 0.30 . 1 . . . . 683 VAL C . 16910 1 610 . 1 1 108 108 VAL CA C 13 67.00 0.30 . 1 . . . . 683 VAL CA . 16910 1 611 . 1 1 108 108 VAL CB C 13 31.30 0.30 . 1 . . . . 683 VAL CB . 16910 1 612 . 1 1 108 108 VAL N N 15 121.10 0.30 . 1 . . . . 683 VAL N . 16910 1 613 . 1 1 109 109 VAL H H 1 8.77 0.02 . 1 . . . . 684 VAL H . 16910 1 614 . 1 1 109 109 VAL HA H 1 3.57 0.02 . 1 . . . . 684 VAL HA . 16910 1 615 . 1 1 109 109 VAL HB H 1 2.13 0.02 . 1 . . . . 684 VAL HB . 16910 1 616 . 1 1 109 109 VAL C C 13 180.00 0.30 . 1 . . . . 684 VAL C . 16910 1 617 . 1 1 109 109 VAL CA C 13 68.20 0.30 . 1 . . . . 684 VAL CA . 16910 1 618 . 1 1 109 109 VAL CB C 13 31.10 0.30 . 1 . . . . 684 VAL CB . 16910 1 619 . 1 1 109 109 VAL N N 15 120.20 0.30 . 1 . . . . 684 VAL N . 16910 1 620 . 1 1 110 110 ASN H H 1 8.41 0.02 . 1 . . . . 685 ASN H . 16910 1 621 . 1 1 110 110 ASN HA H 1 4.56 0.02 . 1 . . . . 685 ASN HA . 16910 1 622 . 1 1 110 110 ASN HB2 H 1 3.09 0.02 . 2 . . . . 685 ASN HB2 . 16910 1 623 . 1 1 110 110 ASN HB3 H 1 3.04 0.02 . 2 . . . . 685 ASN HB3 . 16910 1 624 . 1 1 110 110 ASN C C 13 177.80 0.30 . 1 . . . . 685 ASN C . 16910 1 625 . 1 1 110 110 ASN CA C 13 56.90 0.30 . 1 . . . . 685 ASN CA . 16910 1 626 . 1 1 110 110 ASN CB C 13 37.80 0.30 . 1 . . . . 685 ASN CB . 16910 1 627 . 1 1 110 110 ASN N N 15 123.10 0.30 . 1 . . . . 685 ASN N . 16910 1 628 . 1 1 111 111 ASP H H 1 8.88 0.02 . 1 . . . . 686 ASP H . 16910 1 629 . 1 1 111 111 ASP HA H 1 4.46 0.02 . 1 . . . . 686 ASP HA . 16910 1 630 . 1 1 111 111 ASP C C 13 180.00 0.30 . 1 . . . . 686 ASP C . 16910 1 631 . 1 1 111 111 ASP CA C 13 58.30 0.30 . 1 . . . . 686 ASP CA . 16910 1 632 . 1 1 111 111 ASP CB C 13 40.80 0.30 . 1 . . . . 686 ASP CB . 16910 1 633 . 1 1 111 111 ASP N N 15 125.70 0.30 . 1 . . . . 686 ASP N . 16910 1 634 . 1 1 112 112 LEU H H 1 8.96 0.02 . 1 . . . . 687 LEU H . 16910 1 635 . 1 1 112 112 LEU HA H 1 3.80 0.02 . 1 . . . . 687 LEU HA . 16910 1 636 . 1 1 112 112 LEU HB2 H 1 2.09 0.02 . 2 . . . . 687 LEU HB2 . 16910 1 637 . 1 1 112 112 LEU HB3 H 1 0.80 0.02 . 2 . . . . 687 LEU HB3 . 16910 1 638 . 1 1 112 112 LEU C C 13 179.20 0.30 . 1 . . . . 687 LEU C . 16910 1 639 . 1 1 112 112 LEU CA C 13 58.50 0.30 . 1 . . . . 687 LEU CA . 16910 1 640 . 1 1 112 112 LEU CB C 13 41.90 0.30 . 1 . . . . 687 LEU CB . 16910 1 641 . 1 1 112 112 LEU N N 15 121.70 0.30 . 1 . . . . 687 LEU N . 16910 1 642 . 1 1 113 113 THR H H 1 8.71 0.02 . 1 . . . . 688 THR H . 16910 1 643 . 1 1 113 113 THR HA H 1 4.29 0.02 . 1 . . . . 688 THR HA . 16910 1 644 . 1 1 113 113 THR HB H 1 4.59 0.02 . 1 . . . . 688 THR HB . 16910 1 645 . 1 1 113 113 THR C C 13 179.50 0.30 . 1 . . . . 688 THR C . 16910 1 646 . 1 1 113 113 THR CA C 13 66.70 0.30 . 1 . . . . 688 THR CA . 16910 1 647 . 1 1 113 113 THR CB C 13 69.00 0.30 . 1 . . . . 688 THR CB . 16910 1 648 . 1 1 113 113 THR N N 15 117.00 0.30 . 1 . . . . 688 THR N . 16910 1 649 . 1 1 114 114 SER H H 1 9.30 0.02 . 1 . . . . 689 SER H . 16910 1 650 . 1 1 114 114 SER HA H 1 4.34 0.02 . 1 . . . . 689 SER HA . 16910 1 651 . 1 1 114 114 SER HB2 H 1 4.09 0.02 . 2 . . . . 689 SER HB2 . 16910 1 652 . 1 1 114 114 SER HB3 H 1 4.04 0.02 . 2 . . . . 689 SER HB3 . 16910 1 653 . 1 1 114 114 SER C C 13 174.70 0.30 . 1 . . . . 689 SER C . 16910 1 654 . 1 1 114 114 SER CA C 13 61.30 0.30 . 1 . . . . 689 SER CA . 16910 1 655 . 1 1 114 114 SER CB C 13 62.90 0.30 . 1 . . . . 689 SER CB . 16910 1 656 . 1 1 114 114 SER N N 15 119.60 0.30 . 1 . . . . 689 SER N . 16910 1 657 . 1 1 115 115 ASN H H 1 7.29 0.02 . 1 . . . . 690 ASN H . 16910 1 658 . 1 1 115 115 ASN HA H 1 5.00 0.02 . 1 . . . . 690 ASN HA . 16910 1 659 . 1 1 115 115 ASN HB2 H 1 3.10 0.02 . 2 . . . . 690 ASN HB2 . 16910 1 660 . 1 1 115 115 ASN HB3 H 1 2.69 0.02 . 2 . . . . 690 ASN HB3 . 16910 1 661 . 1 1 115 115 ASN C C 13 172.80 0.30 . 1 . . . . 690 ASN C . 16910 1 662 . 1 1 115 115 ASN CA C 13 53.90 0.30 . 1 . . . . 690 ASN CA . 16910 1 663 . 1 1 115 115 ASN CB C 13 39.60 0.30 . 1 . . . . 690 ASN CB . 16910 1 664 . 1 1 115 115 ASN N N 15 116.80 0.30 . 1 . . . . 690 ASN N . 16910 1 665 . 1 1 116 116 ARG H H 1 7.82 0.02 . 1 . . . . 691 ARG H . 16910 1 666 . 1 1 116 116 ARG HA H 1 4.22 0.02 . 1 . . . . 691 ARG HA . 16910 1 667 . 1 1 116 116 ARG HB2 H 1 2.16 0.02 . 2 . . . . 691 ARG HB2 . 16910 1 668 . 1 1 116 116 ARG HB3 H 1 2.12 0.02 . 2 . . . . 691 ARG HB3 . 16910 1 669 . 1 1 116 116 ARG C C 13 176.80 0.30 . 1 . . . . 691 ARG C . 16910 1 670 . 1 1 116 116 ARG CA C 13 58.00 0.30 . 1 . . . . 691 ARG CA . 16910 1 671 . 1 1 116 116 ARG CB C 13 26.10 0.30 . 1 . . . . 691 ARG CB . 16910 1 672 . 1 1 116 116 ARG N N 15 109.10 0.30 . 1 . . . . 691 ARG N . 16910 1 673 . 1 1 117 117 PHE H H 1 8.39 0.02 . 1 . . . . 692 PHE H . 16910 1 674 . 1 1 117 117 PHE HA H 1 3.94 0.02 . 1 . . . . 692 PHE HA . 16910 1 675 . 1 1 117 117 PHE HB2 H 1 2.74 0.02 . 2 . . . . 692 PHE HB2 . 16910 1 676 . 1 1 117 117 PHE HB3 H 1 1.78 0.02 . 2 . . . . 692 PHE HB3 . 16910 1 677 . 1 1 117 117 PHE C C 13 175.90 0.30 . 1 . . . . 692 PHE C . 16910 1 678 . 1 1 117 117 PHE CA C 13 61.30 0.30 . 1 . . . . 692 PHE CA . 16910 1 679 . 1 1 117 117 PHE CB C 13 41.40 0.30 . 1 . . . . 692 PHE CB . 16910 1 680 . 1 1 117 117 PHE N N 15 119.90 0.30 . 1 . . . . 692 PHE N . 16910 1 681 . 1 1 118 118 PHE H H 1 7.98 0.02 . 1 . . . . 693 PHE H . 16910 1 682 . 1 1 118 118 PHE HA H 1 4.67 0.02 . 1 . . . . 693 PHE HA . 16910 1 683 . 1 1 118 118 PHE HB2 H 1 3.43 0.02 . 2 . . . . 693 PHE HB2 . 16910 1 684 . 1 1 118 118 PHE HB3 H 1 2.89 0.02 . 2 . . . . 693 PHE HB3 . 16910 1 685 . 1 1 118 118 PHE C C 13 175.30 0.30 . 1 . . . . 693 PHE C . 16910 1 686 . 1 1 118 118 PHE CA C 13 55.70 0.30 . 1 . . . . 693 PHE CA . 16910 1 687 . 1 1 118 118 PHE CB C 13 37.60 0.30 . 1 . . . . 693 PHE CB . 16910 1 688 . 1 1 118 118 PHE N N 15 109.80 0.30 . 1 . . . . 693 PHE N . 16910 1 689 . 1 1 119 119 GLU H H 1 7.14 0.02 . 1 . . . . 694 GLU H . 16910 1 690 . 1 1 119 119 GLU HA H 1 3.96 0.02 . 1 . . . . 694 GLU HA . 16910 1 691 . 1 1 119 119 GLU HB2 H 1 2.09 0.02 . 2 . . . . 694 GLU HB2 . 16910 1 692 . 1 1 119 119 GLU HB3 H 1 2.05 0.02 . 2 . . . . 694 GLU HB3 . 16910 1 693 . 1 1 119 119 GLU C C 13 177.90 0.30 . 1 . . . . 694 GLU C . 16910 1 694 . 1 1 119 119 GLU CA C 13 59.20 0.30 . 1 . . . . 694 GLU CA . 16910 1 695 . 1 1 119 119 GLU CB C 13 29.40 0.30 . 1 . . . . 694 GLU CB . 16910 1 696 . 1 1 119 119 GLU N N 15 120.60 0.30 . 1 . . . . 694 GLU N . 16910 1 697 . 1 1 120 120 ASN H H 1 7.64 0.02 . 1 . . . . 695 ASN H . 16910 1 698 . 1 1 120 120 ASN HA H 1 5.12 0.02 . 1 . . . . 695 ASN HA . 16910 1 699 . 1 1 120 120 ASN HB2 H 1 3.06 0.02 . 2 . . . . 695 ASN HB2 . 16910 1 700 . 1 1 120 120 ASN HB3 H 1 2.81 0.02 . 2 . . . . 695 ASN HB3 . 16910 1 701 . 1 1 120 120 ASN C C 13 175.10 0.30 . 1 . . . . 695 ASN C . 16910 1 702 . 1 1 120 120 ASN CA C 13 49.50 0.30 . 1 . . . . 695 ASN CA . 16910 1 703 . 1 1 120 120 ASN CB C 13 38.20 0.30 . 1 . . . . 695 ASN CB . 16910 1 704 . 1 1 120 120 ASN N N 15 115.20 0.30 . 1 . . . . 695 ASN N . 16910 1 705 . 1 1 121 121 PRO HA H 1 4.32 0.02 . 1 . . . . 696 PRO HA . 16910 1 706 . 1 1 121 121 PRO HB2 H 1 2.43 0.02 . 2 . . . . 696 PRO HB2 . 16910 1 707 . 1 1 121 121 PRO HB3 H 1 2.08 0.02 . 2 . . . . 696 PRO HB3 . 16910 1 708 . 1 1 121 121 PRO C C 13 178.90 0.30 . 1 . . . . 696 PRO C . 16910 1 709 . 1 1 121 121 PRO CA C 13 64.40 0.30 . 1 . . . . 696 PRO CA . 16910 1 710 . 1 1 121 121 PRO CB C 13 31.90 0.30 . 1 . . . . 696 PRO CB . 16910 1 711 . 1 1 122 122 ALA H H 1 7.91 0.02 . 1 . . . . 697 ALA H . 16910 1 712 . 1 1 122 122 ALA HA H 1 4.26 0.02 . 1 . . . . 697 ALA HA . 16910 1 713 . 1 1 122 122 ALA HB1 H 1 1.45 0.02 . 1 . . . . 697 ALA HB . 16910 1 714 . 1 1 122 122 ALA HB2 H 1 1.45 0.02 . 1 . . . . 697 ALA HB . 16910 1 715 . 1 1 122 122 ALA HB3 H 1 1.45 0.02 . 1 . . . . 697 ALA HB . 16910 1 716 . 1 1 122 122 ALA C C 13 180.40 0.30 . 1 . . . . 697 ALA C . 16910 1 717 . 1 1 122 122 ALA CA C 13 54.20 0.30 . 1 . . . . 697 ALA CA . 16910 1 718 . 1 1 122 122 ALA CB C 13 18.10 0.30 . 1 . . . . 697 ALA CB . 16910 1 719 . 1 1 122 122 ALA N N 15 121.70 0.30 . 1 . . . . 697 ALA N . 16910 1 720 . 1 1 123 123 LEU H H 1 7.91 0.02 . 1 . . . . 698 LEU H . 16910 1 721 . 1 1 123 123 LEU HA H 1 4.27 0.02 . 1 . . . . 698 LEU HA . 16910 1 722 . 1 1 123 123 LEU HB2 H 1 1.87 0.02 . 2 . . . . 698 LEU HB2 . 16910 1 723 . 1 1 123 123 LEU HB3 H 1 1.65 0.02 . 2 . . . . 698 LEU HB3 . 16910 1 724 . 1 1 123 123 LEU C C 13 178.80 0.30 . 1 . . . . 698 LEU C . 16910 1 725 . 1 1 123 123 LEU CA C 13 57.00 0.30 . 1 . . . . 698 LEU CA . 16910 1 726 . 1 1 123 123 LEU CB C 13 40.40 0.30 . 1 . . . . 698 LEU CB . 16910 1 727 . 1 1 123 123 LEU N N 15 117.70 0.30 . 1 . . . . 698 LEU N . 16910 1 728 . 1 1 124 124 LYS H H 1 7.77 0.02 . 1 . . . . 699 LYS H . 16910 1 729 . 1 1 124 124 LYS HA H 1 3.97 0.02 . 1 . . . . 699 LYS HA . 16910 1 730 . 1 1 124 124 LYS C C 13 178.60 0.30 . 1 . . . . 699 LYS C . 16910 1 731 . 1 1 124 124 LYS CA C 13 59.00 0.30 . 1 . . . . 699 LYS CA . 16910 1 732 . 1 1 124 124 LYS CB C 13 32.10 0.30 . 1 . . . . 699 LYS CB . 16910 1 733 . 1 1 124 124 LYS N N 15 117.90 0.30 . 1 . . . . 699 LYS N . 16910 1 734 . 1 1 125 125 GLU H H 1 7.54 0.02 . 1 . . . . 700 GLU H . 16910 1 735 . 1 1 125 125 GLU HA H 1 4.18 0.02 . 1 . . . . 700 GLU HA . 16910 1 736 . 1 1 125 125 GLU HB2 H 1 2.29 0.02 . 2 . . . . 700 GLU HB2 . 16910 1 737 . 1 1 125 125 GLU HB3 H 1 2.01 0.02 . 2 . . . . 700 GLU HB3 . 16910 1 738 . 1 1 125 125 GLU C C 13 176.50 0.30 . 1 . . . . 700 GLU C . 16910 1 739 . 1 1 125 125 GLU CA C 13 56.60 0.30 . 1 . . . . 700 GLU CA . 16910 1 740 . 1 1 125 125 GLU CB C 13 28.80 0.30 . 1 . . . . 700 GLU CB . 16910 1 741 . 1 1 125 125 GLU N N 15 115.10 0.30 . 1 . . . . 700 GLU N . 16910 1 742 . 1 1 126 126 LEU H H 1 7.52 0.02 . 1 . . . . 701 LEU H . 16910 1 743 . 1 1 126 126 LEU HA H 1 4.56 0.02 . 1 . . . . 701 LEU HA . 16910 1 744 . 1 1 126 126 LEU HB2 H 1 2.55 0.02 . 2 . . . . 701 LEU HB2 . 16910 1 745 . 1 1 126 126 LEU HB3 H 1 2.20 0.02 . 2 . . . . 701 LEU HB3 . 16910 1 746 . 1 1 126 126 LEU C C 13 175.70 0.30 . 1 . . . . 701 LEU C . 16910 1 747 . 1 1 126 126 LEU CA C 13 55.00 0.30 . 1 . . . . 701 LEU CA . 16910 1 748 . 1 1 126 126 LEU CB C 13 40.80 0.30 . 1 . . . . 701 LEU CB . 16910 1 749 . 1 1 126 126 LEU N N 15 116.40 0.30 . 1 . . . . 701 LEU N . 16910 1 750 . 1 1 127 127 LEU H H 1 6.83 0.02 . 1 . . . . 702 LEU H . 16910 1 751 . 1 1 127 127 LEU HA H 1 5.02 0.02 . 1 . . . . 702 LEU HA . 16910 1 752 . 1 1 127 127 LEU C C 13 176.50 0.30 . 1 . . . . 702 LEU C . 16910 1 753 . 1 1 127 127 LEU CA C 13 55.40 0.30 . 1 . . . . 702 LEU CA . 16910 1 754 . 1 1 127 127 LEU CB C 13 42.70 0.30 . 1 . . . . 702 LEU CB . 16910 1 755 . 1 1 127 127 LEU N N 15 118.20 0.30 . 1 . . . . 702 LEU N . 16910 1 756 . 1 1 128 128 PHE H H 1 9.05 0.02 . 1 . . . . 703 PHE H . 16910 1 757 . 1 1 128 128 PHE HA H 1 4.65 0.02 . 1 . . . . 703 PHE HA . 16910 1 758 . 1 1 128 128 PHE HB2 H 1 3.14 0.02 . 2 . . . . 703 PHE HB2 . 16910 1 759 . 1 1 128 128 PHE HB3 H 1 2.57 0.02 . 2 . . . . 703 PHE HB3 . 16910 1 760 . 1 1 128 128 PHE C C 13 177.10 0.30 . 1 . . . . 703 PHE C . 16910 1 761 . 1 1 128 128 PHE CA C 13 56.60 0.30 . 1 . . . . 703 PHE CA . 16910 1 762 . 1 1 128 128 PHE CB C 13 44.00 0.30 . 1 . . . . 703 PHE CB . 16910 1 763 . 1 1 128 128 PHE N N 15 121.10 0.30 . 1 . . . . 703 PHE N . 16910 1 764 . 1 1 129 129 HIS H H 1 10.00 0.02 . 1 . . . . 704 HIS H . 16910 1 765 . 1 1 129 129 HIS HA H 1 4.57 0.02 . 1 . . . . 704 HIS HA . 16910 1 766 . 1 1 129 129 HIS HB2 H 1 3.44 0.02 . 2 . . . . 704 HIS HB2 . 16910 1 767 . 1 1 129 129 HIS HB3 H 1 3.37 0.02 . 2 . . . . 704 HIS HB3 . 16910 1 768 . 1 1 129 129 HIS C C 13 175.10 0.30 . 1 . . . . 704 HIS C . 16910 1 769 . 1 1 129 129 HIS CA C 13 58.90 0.30 . 1 . . . . 704 HIS CA . 16910 1 770 . 1 1 129 129 HIS CB C 13 29.40 0.30 . 1 . . . . 704 HIS CB . 16910 1 771 . 1 1 129 129 HIS N N 15 121.70 0.30 . 1 . . . . 704 HIS N . 16910 1 772 . 1 1 130 130 SER H H 1 7.84 0.02 . 1 . . . . 705 SER H . 16910 1 773 . 1 1 130 130 SER HA H 1 4.94 0.02 . 1 . . . . 705 SER HA . 16910 1 774 . 1 1 130 130 SER HB2 H 1 4.33 0.02 . 2 . . . . 705 SER HB2 . 16910 1 775 . 1 1 130 130 SER HB3 H 1 3.92 0.02 . 2 . . . . 705 SER HB3 . 16910 1 776 . 1 1 130 130 SER C C 13 174.60 0.30 . 1 . . . . 705 SER C . 16910 1 777 . 1 1 130 130 SER CA C 13 55.80 0.30 . 1 . . . . 705 SER CA . 16910 1 778 . 1 1 130 130 SER CB C 13 67.60 0.30 . 1 . . . . 705 SER CB . 16910 1 779 . 1 1 130 130 SER N N 15 109.00 0.30 . 1 . . . . 705 SER N . 16910 1 780 . 1 1 131 131 ILE H H 1 8.70 0.02 . 1 . . . . 706 ILE H . 16910 1 781 . 1 1 131 131 ILE HA H 1 3.09 0.02 . 1 . . . . 706 ILE HA . 16910 1 782 . 1 1 131 131 ILE HB H 1 1.35 0.02 . 1 . . . . 706 ILE HB . 16910 1 783 . 1 1 131 131 ILE C C 13 177.50 0.30 . 1 . . . . 706 ILE C . 16910 1 784 . 1 1 131 131 ILE CA C 13 66.00 0.30 . 1 . . . . 706 ILE CA . 16910 1 785 . 1 1 131 131 ILE CB C 13 38.60 0.30 . 1 . . . . 706 ILE CB . 16910 1 786 . 1 1 131 131 ILE N N 15 121.80 0.30 . 1 . . . . 706 ILE N . 16910 1 787 . 1 1 132 132 HIS H H 1 8.69 0.02 . 1 . . . . 707 HIS H . 16910 1 788 . 1 1 132 132 HIS HA H 1 4.25 0.02 . 1 . . . . 707 HIS HA . 16910 1 789 . 1 1 132 132 HIS HB2 H 1 3.51 0.02 . 2 . . . . 707 HIS HB2 . 16910 1 790 . 1 1 132 132 HIS HB3 H 1 3.21 0.02 . 2 . . . . 707 HIS HB3 . 16910 1 791 . 1 1 132 132 HIS C C 13 177.10 0.30 . 1 . . . . 707 HIS C . 16910 1 792 . 1 1 132 132 HIS CA C 13 60.00 0.30 . 1 . . . . 707 HIS CA . 16910 1 793 . 1 1 132 132 HIS CB C 13 30.60 0.30 . 1 . . . . 707 HIS CB . 16910 1 794 . 1 1 132 132 HIS N N 15 118.00 0.30 . 1 . . . . 707 HIS N . 16910 1 795 . 1 1 133 133 ASP H H 1 7.78 0.02 . 1 . . . . 708 ASP H . 16910 1 796 . 1 1 133 133 ASP HA H 1 4.29 0.02 . 1 . . . . 708 ASP HA . 16910 1 797 . 1 1 133 133 ASP HB2 H 1 3.09 0.02 . 2 . . . . 708 ASP HB2 . 16910 1 798 . 1 1 133 133 ASP HB3 H 1 2.96 0.02 . 2 . . . . 708 ASP HB3 . 16910 1 799 . 1 1 133 133 ASP C C 13 178.60 0.30 . 1 . . . . 708 ASP C . 16910 1 800 . 1 1 133 133 ASP CA C 13 57.40 0.30 . 1 . . . . 708 ASP CA . 16910 1 801 . 1 1 133 133 ASP CB C 13 41.60 0.30 . 1 . . . . 708 ASP CB . 16910 1 802 . 1 1 133 133 ASP N N 15 115.60 0.30 . 1 . . . . 708 ASP N . 16910 1 803 . 1 1 134 134 ALA H H 1 7.47 0.02 . 1 . . . . 709 ALA H . 16910 1 804 . 1 1 134 134 ALA HA H 1 2.42 0.02 . 1 . . . . 709 ALA HA . 16910 1 805 . 1 1 134 134 ALA HB1 H 1 1.06 0.02 . 1 . . . . 709 ALA HB . 16910 1 806 . 1 1 134 134 ALA HB2 H 1 1.06 0.02 . 1 . . . . 709 ALA HB . 16910 1 807 . 1 1 134 134 ALA HB3 H 1 1.06 0.02 . 1 . . . . 709 ALA HB . 16910 1 808 . 1 1 134 134 ALA C C 13 178.50 0.30 . 1 . . . . 709 ALA C . 16910 1 809 . 1 1 134 134 ALA CA C 13 54.00 0.30 . 1 . . . . 709 ALA CA . 16910 1 810 . 1 1 134 134 ALA CB C 13 18.40 0.30 . 1 . . . . 709 ALA CB . 16910 1 811 . 1 1 134 134 ALA N N 15 124.00 0.30 . 1 . . . . 709 ALA N . 16910 1 812 . 1 1 135 135 VAL H H 1 8.51 0.02 . 1 . . . . 710 VAL H . 16910 1 813 . 1 1 135 135 VAL HA H 1 3.21 0.02 . 1 . . . . 710 VAL HA . 16910 1 814 . 1 1 135 135 VAL HB H 1 2.07 0.02 . 1 . . . . 710 VAL HB . 16910 1 815 . 1 1 135 135 VAL C C 13 179.50 0.30 . 1 . . . . 710 VAL C . 16910 1 816 . 1 1 135 135 VAL CA C 13 67.20 0.30 . 1 . . . . 710 VAL CA . 16910 1 817 . 1 1 135 135 VAL CB C 13 31.60 0.30 . 1 . . . . 710 VAL CB . 16910 1 818 . 1 1 135 135 VAL N N 15 122.20 0.30 . 1 . . . . 710 VAL N . 16910 1 819 . 1 1 136 136 LEU H H 1 8.18 0.02 . 1 . . . . 711 LEU H . 16910 1 820 . 1 1 136 136 LEU HA H 1 3.98 0.02 . 1 . . . . 711 LEU HA . 16910 1 821 . 1 1 136 136 LEU HB2 H 1 1.65 0.02 . 2 . . . . 711 LEU HB2 . 16910 1 822 . 1 1 136 136 LEU HB3 H 1 1.47 0.02 . 2 . . . . 711 LEU HB3 . 16910 1 823 . 1 1 136 136 LEU C C 13 180.30 0.30 . 1 . . . . 711 LEU C . 16910 1 824 . 1 1 136 136 LEU CA C 13 58.00 0.30 . 1 . . . . 711 LEU CA . 16910 1 825 . 1 1 136 136 LEU CB C 13 40.90 0.30 . 1 . . . . 711 LEU CB . 16910 1 826 . 1 1 136 136 LEU N N 15 120.30 0.30 . 1 . . . . 711 LEU N . 16910 1 827 . 1 1 137 137 GLY H H 1 8.23 0.02 . 1 . . . . 712 GLY H . 16910 1 828 . 1 1 137 137 GLY HA2 H 1 3.87 0.02 . 2 . . . . 712 GLY HA2 . 16910 1 829 . 1 1 137 137 GLY HA3 H 1 3.52 0.02 . 2 . . . . 712 GLY HA3 . 16910 1 830 . 1 1 137 137 GLY C C 13 176.80 0.30 . 1 . . . . 712 GLY C . 16910 1 831 . 1 1 137 137 GLY CA C 13 46.80 0.30 . 1 . . . . 712 GLY CA . 16910 1 832 . 1 1 137 137 GLY N N 15 106.50 0.30 . 1 . . . . 712 GLY N . 16910 1 833 . 1 1 138 138 SER H H 1 8.28 0.02 . 1 . . . . 713 SER H . 16910 1 834 . 1 1 138 138 SER HA H 1 4.25 0.02 . 1 . . . . 713 SER HA . 16910 1 835 . 1 1 138 138 SER HB2 H 1 4.10 0.02 . 2 . . . . 713 SER HB2 . 16910 1 836 . 1 1 138 138 SER HB3 H 1 4.06 0.02 . 2 . . . . 713 SER HB3 . 16910 1 837 . 1 1 138 138 SER C C 13 175.40 0.30 . 1 . . . . 713 SER C . 16910 1 838 . 1 1 138 138 SER CA C 13 61.60 0.30 . 1 . . . . 713 SER CA . 16910 1 839 . 1 1 138 138 SER CB C 13 63.40 0.30 . 1 . . . . 713 SER CB . 16910 1 840 . 1 1 138 138 SER N N 15 119.10 0.30 . 1 . . . . 713 SER N . 16910 1 841 . 1 1 139 139 GLN H H 1 7.79 0.02 . 1 . . . . 714 GLN H . 16910 1 842 . 1 1 139 139 GLN HA H 1 4.08 0.02 . 1 . . . . 714 GLN HA . 16910 1 843 . 1 1 139 139 GLN HB2 H 1 2.32 0.02 . 2 . . . . 714 GLN HB2 . 16910 1 844 . 1 1 139 139 GLN HB3 H 1 2.05 0.02 . 2 . . . . 714 GLN HB3 . 16910 1 845 . 1 1 139 139 GLN C C 13 179.70 0.30 . 1 . . . . 714 GLN C . 16910 1 846 . 1 1 139 139 GLN CA C 13 58.50 0.30 . 1 . . . . 714 GLN CA . 16910 1 847 . 1 1 139 139 GLN CB C 13 28.10 0.30 . 1 . . . . 714 GLN CB . 16910 1 848 . 1 1 139 139 GLN N N 15 121.20 0.30 . 1 . . . . 714 GLN N . 16910 1 849 . 1 1 140 140 VAL H H 1 8.18 0.02 . 1 . . . . 715 VAL H . 16910 1 850 . 1 1 140 140 VAL HA H 1 3.85 0.02 . 1 . . . . 715 VAL HA . 16910 1 851 . 1 1 140 140 VAL HB H 1 2.17 0.02 . 1 . . . . 715 VAL HB . 16910 1 852 . 1 1 140 140 VAL C C 13 177.80 0.30 . 1 . . . . 715 VAL C . 16910 1 853 . 1 1 140 140 VAL CA C 13 65.30 0.30 . 1 . . . . 715 VAL CA . 16910 1 854 . 1 1 140 140 VAL CB C 13 31.90 0.30 . 1 . . . . 715 VAL CB . 16910 1 855 . 1 1 140 140 VAL N N 15 120.20 0.30 . 1 . . . . 715 VAL N . 16910 1 856 . 1 1 141 141 ARG H H 1 7.75 0.02 . 1 . . . . 716 ARG H . 16910 1 857 . 1 1 141 141 ARG HA H 1 3.96 0.02 . 1 . . . . 716 ARG HA . 16910 1 858 . 1 1 141 141 ARG HB2 H 1 1.88 0.02 . 2 . . . . 716 ARG HB2 . 16910 1 859 . 1 1 141 141 ARG HB3 H 1 1.81 0.02 . 2 . . . . 716 ARG HB3 . 16910 1 860 . 1 1 141 141 ARG C C 13 179.20 0.30 . 1 . . . . 716 ARG C . 16910 1 861 . 1 1 141 141 ARG CA C 13 58.80 0.30 . 1 . . . . 716 ARG CA . 16910 1 862 . 1 1 141 141 ARG CB C 13 29.80 0.30 . 1 . . . . 716 ARG CB . 16910 1 863 . 1 1 141 141 ARG N N 15 121.30 0.30 . 1 . . . . 716 ARG N . 16910 1 864 . 1 1 142 142 GLU H H 1 7.99 0.02 . 1 . . . . 717 GLU H . 16910 1 865 . 1 1 142 142 GLU HA H 1 3.98 0.02 . 1 . . . . 717 GLU HA . 16910 1 866 . 1 1 142 142 GLU HB2 H 1 1.99 0.02 . 2 . . . . 717 GLU HB2 . 16910 1 867 . 1 1 142 142 GLU HB3 H 1 1.81 0.02 . 2 . . . . 717 GLU HB3 . 16910 1 868 . 1 1 142 142 GLU C C 13 178.00 0.30 . 1 . . . . 717 GLU C . 16910 1 869 . 1 1 142 142 GLU CA C 13 57.80 0.30 . 1 . . . . 717 GLU CA . 16910 1 870 . 1 1 142 142 GLU CB C 13 29.80 0.30 . 1 . . . . 717 GLU CB . 16910 1 871 . 1 1 142 142 GLU N N 15 118.00 0.30 . 1 . . . . 717 GLU N . 16910 1 872 . 1 1 143 143 ALA H H 1 7.86 0.02 . 1 . . . . 718 ALA H . 16910 1 873 . 1 1 143 143 ALA HA H 1 4.25 0.02 . 1 . . . . 718 ALA HA . 16910 1 874 . 1 1 143 143 ALA HB1 H 1 1.49 0.02 . 1 . . . . 718 ALA HB . 16910 1 875 . 1 1 143 143 ALA HB2 H 1 1.49 0.02 . 1 . . . . 718 ALA HB . 16910 1 876 . 1 1 143 143 ALA HB3 H 1 1.49 0.02 . 1 . . . . 718 ALA HB . 16910 1 877 . 1 1 143 143 ALA C C 13 179.50 0.30 . 1 . . . . 718 ALA C . 16910 1 878 . 1 1 143 143 ALA CA C 13 53.90 0.30 . 1 . . . . 718 ALA CA . 16910 1 879 . 1 1 143 143 ALA CB C 13 18.40 0.30 . 1 . . . . 718 ALA CB . 16910 1 880 . 1 1 143 143 ALA N N 15 122.10 0.30 . 1 . . . . 718 ALA N . 16910 1 881 . 1 1 144 144 MET H H 1 8.04 0.02 . 1 . . . . 719 MET H . 16910 1 882 . 1 1 144 144 MET HA H 1 4.36 0.02 . 1 . . . . 719 MET HA . 16910 1 883 . 1 1 144 144 MET C C 13 177.20 0.30 . 1 . . . . 719 MET C . 16910 1 884 . 1 1 144 144 MET CA C 13 56.50 0.30 . 1 . . . . 719 MET CA . 16910 1 885 . 1 1 144 144 MET CB C 13 32.50 0.30 . 1 . . . . 719 MET CB . 16910 1 886 . 1 1 144 144 MET N N 15 117.60 0.30 . 1 . . . . 719 MET N . 16910 1 887 . 1 1 145 145 ALA H H 1 7.88 0.02 . 1 . . . . 720 ALA H . 16910 1 888 . 1 1 145 145 ALA HA H 1 4.30 0.02 . 1 . . . . 720 ALA HA . 16910 1 889 . 1 1 145 145 ALA HB1 H 1 1.47 0.02 . 1 . . . . 720 ALA HB . 16910 1 890 . 1 1 145 145 ALA HB2 H 1 1.47 0.02 . 1 . . . . 720 ALA HB . 16910 1 891 . 1 1 145 145 ALA HB3 H 1 1.47 0.02 . 1 . . . . 720 ALA HB . 16910 1 892 . 1 1 145 145 ALA C C 13 178.60 0.30 . 1 . . . . 720 ALA C . 16910 1 893 . 1 1 145 145 ALA CA C 13 53.30 0.30 . 1 . . . . 720 ALA CA . 16910 1 894 . 1 1 145 145 ALA CB C 13 18.90 0.30 . 1 . . . . 720 ALA CB . 16910 1 895 . 1 1 145 145 ALA N N 15 123.40 0.30 . 1 . . . . 720 ALA N . 16910 1 896 . 1 1 146 146 GLU H H 1 8.13 0.02 . 1 . . . . 721 GLU H . 16910 1 897 . 1 1 146 146 GLU HA H 1 4.26 0.02 . 1 . . . . 721 GLU HA . 16910 1 898 . 1 1 146 146 GLU HB2 H 1 2.11 0.02 . 2 . . . . 721 GLU HB2 . 16910 1 899 . 1 1 146 146 GLU HB3 H 1 2.02 0.02 . 2 . . . . 721 GLU HB3 . 16910 1 900 . 1 1 146 146 GLU C C 13 177.10 0.30 . 1 . . . . 721 GLU C . 16910 1 901 . 1 1 146 146 GLU CA C 13 56.90 0.30 . 1 . . . . 721 GLU CA . 16910 1 902 . 1 1 146 146 GLU CB C 13 30.00 0.30 . 1 . . . . 721 GLU CB . 16910 1 903 . 1 1 146 146 GLU N N 15 119.10 0.30 . 1 . . . . 721 GLU N . 16910 1 904 . 1 1 147 147 GLN H H 1 8.18 0.02 . 1 . . . . 722 GLN H . 16910 1 905 . 1 1 147 147 GLN HA H 1 4.35 0.02 . 1 . . . . 722 GLN HA . 16910 1 906 . 1 1 147 147 GLN HB2 H 1 2.18 0.02 . 2 . . . . 722 GLN HB2 . 16910 1 907 . 1 1 147 147 GLN HB3 H 1 2.06 0.02 . 2 . . . . 722 GLN HB3 . 16910 1 908 . 1 1 147 147 GLN C C 13 176.30 0.30 . 1 . . . . 722 GLN C . 16910 1 909 . 1 1 147 147 GLN CA C 13 56.00 0.30 . 1 . . . . 722 GLN CA . 16910 1 910 . 1 1 147 147 GLN CB C 13 29.50 0.30 . 1 . . . . 722 GLN CB . 16910 1 911 . 1 1 147 147 GLN N N 15 120.30 0.30 . 1 . . . . 722 GLN N . 16910 1 912 . 1 1 148 148 GLU H H 1 8.42 0.02 . 1 . . . . 723 GLU H . 16910 1 913 . 1 1 148 148 GLU HA H 1 4.37 0.02 . 1 . . . . 723 GLU HA . 16910 1 914 . 1 1 148 148 GLU HB2 H 1 2.11 0.02 . 2 . . . . 723 GLU HB2 . 16910 1 915 . 1 1 148 148 GLU HB3 H 1 2.02 0.02 . 2 . . . . 723 GLU HB3 . 16910 1 916 . 1 1 148 148 GLU C C 13 176.90 0.30 . 1 . . . . 723 GLU C . 16910 1 917 . 1 1 148 148 GLU CA C 13 56.70 0.30 . 1 . . . . 723 GLU CA . 16910 1 918 . 1 1 148 148 GLU CB C 13 30.30 0.30 . 1 . . . . 723 GLU CB . 16910 1 919 . 1 1 148 148 GLU N N 15 121.90 0.30 . 1 . . . . 723 GLU N . 16910 1 920 . 1 1 149 149 THR H H 1 8.26 0.02 . 1 . . . . 724 THR H . 16910 1 921 . 1 1 149 149 THR HA H 1 4.43 0.02 . 1 . . . . 724 THR HA . 16910 1 922 . 1 1 149 149 THR HB H 1 4.25 0.02 . 1 . . . . 724 THR HB . 16910 1 923 . 1 1 149 149 THR C C 13 174.70 0.30 . 1 . . . . 724 THR C . 16910 1 924 . 1 1 149 149 THR CA C 13 61.90 0.30 . 1 . . . . 724 THR CA . 16910 1 925 . 1 1 149 149 THR CB C 13 69.80 0.30 . 1 . . . . 724 THR CB . 16910 1 926 . 1 1 149 149 THR N N 15 115.60 0.30 . 1 . . . . 724 THR N . 16910 1 927 . 1 1 150 150 THR H H 1 8.26 0.02 . 1 . . . . 725 THR H . 16910 1 928 . 1 1 150 150 THR HA H 1 4.39 0.02 . 1 . . . . 725 THR HA . 16910 1 929 . 1 1 150 150 THR HB H 1 4.19 0.02 . 1 . . . . 725 THR HB . 16910 1 930 . 1 1 150 150 THR C C 13 174.30 0.30 . 1 . . . . 725 THR C . 16910 1 931 . 1 1 150 150 THR CA C 13 62.10 0.30 . 1 . . . . 725 THR CA . 16910 1 932 . 1 1 150 150 THR CB C 13 69.80 0.30 . 1 . . . . 725 THR CB . 16910 1 933 . 1 1 150 150 THR N N 15 118.20 0.30 . 1 . . . . 725 THR N . 16910 1 934 . 1 1 151 151 VAL H H 1 8.26 0.02 . 1 . . . . 726 VAL H . 16910 1 935 . 1 1 151 151 VAL HA H 1 4.16 0.02 . 1 . . . . 726 VAL HA . 16910 1 936 . 1 1 151 151 VAL HB H 1 2.10 0.02 . 1 . . . . 726 VAL HB . 16910 1 937 . 1 1 151 151 VAL C C 13 175.20 0.30 . 1 . . . . 726 VAL C . 16910 1 938 . 1 1 151 151 VAL CA C 13 62.30 0.30 . 1 . . . . 726 VAL CA . 16910 1 939 . 1 1 151 151 VAL CB C 13 32.70 0.30 . 1 . . . . 726 VAL CB . 16910 1 940 . 1 1 151 151 VAL N N 15 124.30 0.30 . 1 . . . . 726 VAL N . 16910 1 941 . 1 1 152 152 LEU H H 1 7.96 0.02 . 1 . . . . 727 LEU H . 16910 1 942 . 1 1 152 152 LEU HA H 1 4.23 0.02 . 1 . . . . 727 LEU HA . 16910 1 943 . 1 1 152 152 LEU C C 13 182.50 0.30 . 1 . . . . 727 LEU C . 16910 1 944 . 1 1 152 152 LEU CA C 13 56.60 0.30 . 1 . . . . 727 LEU CA . 16910 1 945 . 1 1 152 152 LEU CB C 13 43.40 0.30 . 1 . . . . 727 LEU CB . 16910 1 946 . 1 1 152 152 LEU N N 15 132.30 0.30 . 1 . . . . 727 LEU N . 16910 1 stop_ save_