data_16772 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16772 _Entry.Title ; SOLUTION STRUCTURE OF CI-MPR ligand-free domain 5 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-10 _Entry.Accession_date 2010-03-10 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _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 NMR' _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 L. Olson L. J. . 16772 2 F. Peterson F. C. . 16772 3 B. Volkman B. F. . 16772 4 N. Dahms N. M. . 16772 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16772 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID GLYCOPROTEIN . 16772 LYSOSOME . 16772 MANNOSE . 16772 MEMBRANE . 16772 NMR . 16772 PHOSPHOPROTEIN . 16772 RECEPTOR . 16772 'SUGAR BINDING' . 16772 TRANSMEMBRANE . 16772 TRANSPORT . 16772 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16772 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 569 16772 '15N chemical shifts' 151 16772 '1H chemical shifts' 888 16772 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 . . 2012-08-03 2010-03-10 original author . 16772 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16773 'CI-MPR domain5 (complex form)' 16772 PDB 2KVA 'BMRB Entry Tracking System' 16772 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16772 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20615935 _Citation.Full_citation . _Citation.Title 'Structural basis for recognition of phosphodiester-containing lysosomal enzymes by the cation-independent mannose 6-phosphate receptor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 107 _Citation.Journal_issue 28 _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 12493 _Citation.Page_last 12498 _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 L. Olson L. J. . 16772 1 2 F. Peterson F. C. . 16772 1 3 A. Castonguay A. . . 16772 1 4 R. Bohnsack R. N. . 16772 1 5 M. Kudo M. . . 16772 1 6 R. Gotschall R. R. . 16772 1 7 W. Canfield W. M. . 16772 1 8 B. Volkman B. F. . 16772 1 9 N. Dahms N. M. . 16772 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16772 _Assembly.ID 1 _Assembly.Name 'CI-MPR domain5' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'CI-MPR domain5' 1 $CI-MPR_domain5 A . yes native no no . . . 16772 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 51 51 SG . . 592 CYS . . . . 628 CYS 16772 1 2 disulfide single . 1 . 1 CYS 59 59 SG . 1 . 1 CYS 66 66 SG . . 636 CYS . . . . 643 CYS 16772 1 3 disulfide single . 1 . 1 CYS 118 118 SG . 1 . 1 CYS 147 147 SG . . 695 CYS . . . . 724 CYS 16772 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CI-MPR_domain5 _Entity.Sf_category entity _Entity.Sf_framecode CI-MPR_domain5 _Entity.Entry_ID 16772 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CI-MPR_domain5 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EAEAEFLSRTEGDNCTVFDS QAGFSFDLTPLTKKDAYKVE TDKYEFHINVCGPVSVGACP PDSGACQVSRSDRKSWNLGR SNAKLSYYDGMIQLTYRDGT PYNNEKRTPRATLITFLCDR DAGVGFPEYQEEDNSTYNFR WYTSYACP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 578-583 are a cloning artifact.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Mannose 6-phosphate Receptor Homology domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 16759.471 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16773 . CI-MPR_domain5 . . . . . 100.00 148 100.00 100.00 2.62e-105 . . . . 16772 1 2 no PDB 2KVA . "Solution Structure Of Ci-Mpr Ligand-Free Domain 5" . . . . . 100.00 148 100.00 100.00 2.62e-105 . . . . 16772 1 3 no PDB 2KVB . "Solution Structure Of Ci-mpr Domain 5 Bound To N-acetylglucosaminyl 6- Phosphomethylmannoside" . . . . . 100.00 148 100.00 100.00 2.62e-105 . . . . 16772 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 1 578 GLU . 16772 1 2 579 ALA . 16772 1 3 580 GLU . 16772 1 4 581 ALA . 16772 1 5 582 GLU . 16772 1 6 583 PHE . 16772 1 7 584 LEU . 16772 1 8 585 SER . 16772 1 9 586 ARG . 16772 1 10 587 THR . 16772 1 11 588 GLU . 16772 1 12 589 GLY . 16772 1 13 590 ASP . 16772 1 14 591 ASN . 16772 1 15 592 CYS . 16772 1 16 593 THR . 16772 1 17 594 VAL . 16772 1 18 595 PHE . 16772 1 19 596 ASP . 16772 1 20 597 SER . 16772 1 21 598 GLN . 16772 1 22 599 ALA . 16772 1 23 600 GLY . 16772 1 24 601 PHE . 16772 1 25 602 SER . 16772 1 26 603 PHE . 16772 1 27 604 ASP . 16772 1 28 605 LEU . 16772 1 29 606 THR . 16772 1 30 607 PRO . 16772 1 31 608 LEU . 16772 1 32 609 THR . 16772 1 33 610 LYS . 16772 1 34 611 LYS . 16772 1 35 612 ASP . 16772 1 36 613 ALA . 16772 1 37 614 TYR . 16772 1 38 615 LYS . 16772 1 39 616 VAL . 16772 1 40 617 GLU . 16772 1 41 618 THR . 16772 1 42 619 ASP . 16772 1 43 620 LYS . 16772 1 44 621 TYR . 16772 1 45 622 GLU . 16772 1 46 623 PHE . 16772 1 47 624 HIS . 16772 1 48 625 ILE . 16772 1 49 626 ASN . 16772 1 50 627 VAL . 16772 1 51 628 CYS . 16772 1 52 629 GLY . 16772 1 53 630 PRO . 16772 1 54 631 VAL . 16772 1 55 632 SER . 16772 1 56 633 VAL . 16772 1 57 634 GLY . 16772 1 58 635 ALA . 16772 1 59 636 CYS . 16772 1 60 637 PRO . 16772 1 61 638 PRO . 16772 1 62 639 ASP . 16772 1 63 640 SER . 16772 1 64 641 GLY . 16772 1 65 642 ALA . 16772 1 66 643 CYS . 16772 1 67 644 GLN . 16772 1 68 645 VAL . 16772 1 69 646 SER . 16772 1 70 647 ARG . 16772 1 71 648 SER . 16772 1 72 649 ASP . 16772 1 73 650 ARG . 16772 1 74 651 LYS . 16772 1 75 652 SER . 16772 1 76 653 TRP . 16772 1 77 654 ASN . 16772 1 78 655 LEU . 16772 1 79 656 GLY . 16772 1 80 657 ARG . 16772 1 81 658 SER . 16772 1 82 659 ASN . 16772 1 83 660 ALA . 16772 1 84 661 LYS . 16772 1 85 662 LEU . 16772 1 86 663 SER . 16772 1 87 664 TYR . 16772 1 88 665 TYR . 16772 1 89 666 ASP . 16772 1 90 667 GLY . 16772 1 91 668 MET . 16772 1 92 669 ILE . 16772 1 93 670 GLN . 16772 1 94 671 LEU . 16772 1 95 672 THR . 16772 1 96 673 TYR . 16772 1 97 674 ARG . 16772 1 98 675 ASP . 16772 1 99 676 GLY . 16772 1 100 677 THR . 16772 1 101 678 PRO . 16772 1 102 679 TYR . 16772 1 103 680 ASN . 16772 1 104 681 ASN . 16772 1 105 682 GLU . 16772 1 106 683 LYS . 16772 1 107 684 ARG . 16772 1 108 685 THR . 16772 1 109 686 PRO . 16772 1 110 687 ARG . 16772 1 111 688 ALA . 16772 1 112 689 THR . 16772 1 113 690 LEU . 16772 1 114 691 ILE . 16772 1 115 692 THR . 16772 1 116 693 PHE . 16772 1 117 694 LEU . 16772 1 118 695 CYS . 16772 1 119 696 ASP . 16772 1 120 697 ARG . 16772 1 121 698 ASP . 16772 1 122 699 ALA . 16772 1 123 700 GLY . 16772 1 124 701 VAL . 16772 1 125 702 GLY . 16772 1 126 703 PHE . 16772 1 127 704 PRO . 16772 1 128 705 GLU . 16772 1 129 706 TYR . 16772 1 130 707 GLN . 16772 1 131 708 GLU . 16772 1 132 709 GLU . 16772 1 133 710 ASP . 16772 1 134 711 ASN . 16772 1 135 712 SER . 16772 1 136 713 THR . 16772 1 137 714 TYR . 16772 1 138 715 ASN . 16772 1 139 716 PHE . 16772 1 140 717 ARG . 16772 1 141 718 TRP . 16772 1 142 719 TYR . 16772 1 143 720 THR . 16772 1 144 721 SER . 16772 1 145 722 TYR . 16772 1 146 723 ALA . 16772 1 147 724 CYS . 16772 1 148 725 PRO . 16772 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 . GLU 1 1 16772 1 . ALA 2 2 16772 1 . GLU 3 3 16772 1 . ALA 4 4 16772 1 . GLU 5 5 16772 1 . PHE 6 6 16772 1 . LEU 7 7 16772 1 . SER 8 8 16772 1 . ARG 9 9 16772 1 . THR 10 10 16772 1 . GLU 11 11 16772 1 . GLY 12 12 16772 1 . ASP 13 13 16772 1 . ASN 14 14 16772 1 . CYS 15 15 16772 1 . THR 16 16 16772 1 . VAL 17 17 16772 1 . PHE 18 18 16772 1 . ASP 19 19 16772 1 . SER 20 20 16772 1 . GLN 21 21 16772 1 . ALA 22 22 16772 1 . GLY 23 23 16772 1 . PHE 24 24 16772 1 . SER 25 25 16772 1 . PHE 26 26 16772 1 . ASP 27 27 16772 1 . LEU 28 28 16772 1 . THR 29 29 16772 1 . PRO 30 30 16772 1 . LEU 31 31 16772 1 . THR 32 32 16772 1 . LYS 33 33 16772 1 . LYS 34 34 16772 1 . ASP 35 35 16772 1 . ALA 36 36 16772 1 . TYR 37 37 16772 1 . LYS 38 38 16772 1 . VAL 39 39 16772 1 . GLU 40 40 16772 1 . THR 41 41 16772 1 . ASP 42 42 16772 1 . LYS 43 43 16772 1 . TYR 44 44 16772 1 . GLU 45 45 16772 1 . PHE 46 46 16772 1 . HIS 47 47 16772 1 . ILE 48 48 16772 1 . ASN 49 49 16772 1 . VAL 50 50 16772 1 . CYS 51 51 16772 1 . GLY 52 52 16772 1 . PRO 53 53 16772 1 . VAL 54 54 16772 1 . SER 55 55 16772 1 . VAL 56 56 16772 1 . GLY 57 57 16772 1 . ALA 58 58 16772 1 . CYS 59 59 16772 1 . PRO 60 60 16772 1 . PRO 61 61 16772 1 . ASP 62 62 16772 1 . SER 63 63 16772 1 . GLY 64 64 16772 1 . ALA 65 65 16772 1 . CYS 66 66 16772 1 . GLN 67 67 16772 1 . VAL 68 68 16772 1 . SER 69 69 16772 1 . ARG 70 70 16772 1 . SER 71 71 16772 1 . ASP 72 72 16772 1 . ARG 73 73 16772 1 . LYS 74 74 16772 1 . SER 75 75 16772 1 . TRP 76 76 16772 1 . ASN 77 77 16772 1 . LEU 78 78 16772 1 . GLY 79 79 16772 1 . ARG 80 80 16772 1 . SER 81 81 16772 1 . ASN 82 82 16772 1 . ALA 83 83 16772 1 . LYS 84 84 16772 1 . LEU 85 85 16772 1 . SER 86 86 16772 1 . TYR 87 87 16772 1 . TYR 88 88 16772 1 . ASP 89 89 16772 1 . GLY 90 90 16772 1 . MET 91 91 16772 1 . ILE 92 92 16772 1 . GLN 93 93 16772 1 . LEU 94 94 16772 1 . THR 95 95 16772 1 . TYR 96 96 16772 1 . ARG 97 97 16772 1 . ASP 98 98 16772 1 . GLY 99 99 16772 1 . THR 100 100 16772 1 . PRO 101 101 16772 1 . TYR 102 102 16772 1 . ASN 103 103 16772 1 . ASN 104 104 16772 1 . GLU 105 105 16772 1 . LYS 106 106 16772 1 . ARG 107 107 16772 1 . THR 108 108 16772 1 . PRO 109 109 16772 1 . ARG 110 110 16772 1 . ALA 111 111 16772 1 . THR 112 112 16772 1 . LEU 113 113 16772 1 . ILE 114 114 16772 1 . THR 115 115 16772 1 . PHE 116 116 16772 1 . LEU 117 117 16772 1 . CYS 118 118 16772 1 . ASP 119 119 16772 1 . ARG 120 120 16772 1 . ASP 121 121 16772 1 . ALA 122 122 16772 1 . GLY 123 123 16772 1 . VAL 124 124 16772 1 . GLY 125 125 16772 1 . PHE 126 126 16772 1 . PRO 127 127 16772 1 . GLU 128 128 16772 1 . TYR 129 129 16772 1 . GLN 130 130 16772 1 . GLU 131 131 16772 1 . GLU 132 132 16772 1 . ASP 133 133 16772 1 . ASN 134 134 16772 1 . SER 135 135 16772 1 . THR 136 136 16772 1 . TYR 137 137 16772 1 . ASN 138 138 16772 1 . PHE 139 139 16772 1 . ARG 140 140 16772 1 . TRP 141 141 16772 1 . TYR 142 142 16772 1 . THR 143 143 16772 1 . SER 144 144 16772 1 . TYR 145 145 16772 1 . ALA 146 146 16772 1 . CYS 147 147 16772 1 . PRO 148 148 16772 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 16772 _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 $CI-MPR_domain5 . 9913 organism . 'Bos taurus' cow . . Eukaryota Metazoa Bos taurus . . . . . . . . . . . . . . . . . . . . . 16772 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 16772 _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 $CI-MPR_domain5 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris X-33 . . . . . . . . . . . . . . . pPICZ-alpha-A . . . . . . 16772 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 16772 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM domain-5 U-15N/13C, 10 mM bis-Tris, 150 mM sodium chloride' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O, 5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'CI-MPR domain5' '[U-100% 13C; U-100% 15N]' . . 1 $CI-MPR_domain5 . . 1 . . mM . . . . 16772 1 2 bis-tris [U-2H] . . . . . . 10 . . mM . . . . 16772 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16772 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16772 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16772 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 16772 _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' 150 . mM 16772 1 pH 6.5 . pH 16772 1 pressure 1 . atm 16772 1 temperature 308 . K 16772 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 16772 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 16772 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16772 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 16772 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 16772 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16772 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 16772 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 16772 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16772 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16772 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 16772 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16772 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 16772 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 16772 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16772 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 16772 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 16772 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 16772 6 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 16772 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16772 _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 . 600 . . . 16772 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 16772 _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 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16772 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16772 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16772 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 16772 _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 . . . . . . . . . 16772 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16772 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16772 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 16772 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 16772 1 2 3D_13C-separated_NOESY . . . 16772 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 16772 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 3 3 GLU C C 13 176.501 0.090 . 1 . . . . 578 GLU C . 16772 1 2 . 1 1 4 4 ALA H H 1 8.036 0.020 . 1 . . . . 579 ALA H . 16772 1 3 . 1 1 4 4 ALA HA H 1 4.358 0.020 . 1 . . . . 579 ALA HA . 16772 1 4 . 1 1 4 4 ALA HB1 H 1 1.414 0.020 . 1 . . . . 579 ALA QB . 16772 1 5 . 1 1 4 4 ALA HB2 H 1 1.414 0.020 . 1 . . . . 579 ALA QB . 16772 1 6 . 1 1 4 4 ALA HB3 H 1 1.414 0.020 . 1 . . . . 579 ALA QB . 16772 1 7 . 1 1 4 4 ALA C C 13 174.715 2.597 . 1 . . . . 579 ALA C . 16772 1 8 . 1 1 4 4 ALA CA C 13 53.211 0.200 . 1 . . . . 579 ALA CA . 16772 1 9 . 1 1 4 4 ALA CB C 13 19.506 0.200 . 1 . . . . 579 ALA CB . 16772 1 10 . 1 1 4 4 ALA N N 15 125.921 0.200 . 1 . . . . 579 ALA N . 16772 1 11 . 1 1 5 5 GLU H H 1 8.483 0.020 . 1 . . . . 580 GLU H . 16772 1 12 . 1 1 5 5 GLU HA H 1 4.356 0.020 . 1 . . . . 580 GLU HA . 16772 1 13 . 1 1 5 5 GLU HB2 H 1 2.015 0.020 . 2 . . . . 580 GLU HB2 . 16772 1 14 . 1 1 5 5 GLU HB3 H 1 1.959 0.020 . 2 . . . . 580 GLU HB3 . 16772 1 15 . 1 1 5 5 GLU HG2 H 1 2.272 0.020 . 2 . . . . 580 GLU HG2 . 16772 1 16 . 1 1 5 5 GLU HG3 H 1 2.241 0.020 . 2 . . . . 580 GLU HG3 . 16772 1 17 . 1 1 5 5 GLU C C 13 175.931 0.200 . 1 . . . . 580 GLU C . 16772 1 18 . 1 1 5 5 GLU CA C 13 57.057 0.200 . 1 . . . . 580 GLU CA . 16772 1 19 . 1 1 5 5 GLU CB C 13 30.940 0.200 . 1 . . . . 580 GLU CB . 16772 1 20 . 1 1 5 5 GLU CG C 13 36.607 0.200 . 1 . . . . 580 GLU CG . 16772 1 21 . 1 1 5 5 GLU N N 15 120.768 0.200 . 1 . . . . 580 GLU N . 16772 1 22 . 1 1 6 6 PHE H H 1 8.324 0.020 . 1 . . . . 581 PHE H . 16772 1 23 . 1 1 6 6 PHE HA H 1 4.700 0.020 . 1 . . . . 581 PHE HA . 16772 1 24 . 1 1 6 6 PHE HB2 H 1 3.192 0.020 . 2 . . . . 581 PHE HB2 . 16772 1 25 . 1 1 6 6 PHE HB3 H 1 3.060 0.020 . 2 . . . . 581 PHE HB3 . 16772 1 26 . 1 1 6 6 PHE C C 13 175.691 0.200 . 1 . . . . 581 PHE C . 16772 1 27 . 1 1 6 6 PHE CA C 13 57.899 0.200 . 1 . . . . 581 PHE CA . 16772 1 28 . 1 1 6 6 PHE CB C 13 40.102 0.200 . 1 . . . . 581 PHE CB . 16772 1 29 . 1 1 6 6 PHE N N 15 121.393 0.200 . 1 . . . . 581 PHE N . 16772 1 30 . 1 1 7 7 LEU H H 1 8.085 0.020 . 1 . . . . 582 LEU H . 16772 1 31 . 1 1 7 7 LEU HA H 1 4.465 0.020 . 1 . . . . 582 LEU HA . 16772 1 32 . 1 1 7 7 LEU HB2 H 1 1.686 0.020 . 2 . . . . 582 LEU HB2 . 16772 1 33 . 1 1 7 7 LEU HB3 H 1 1.608 0.020 . 2 . . . . 582 LEU HB3 . 16772 1 34 . 1 1 7 7 LEU HD11 H 1 0.924 0.005 . 2 . . . . 582 LEU QD1 . 16772 1 35 . 1 1 7 7 LEU HD12 H 1 0.924 0.005 . 2 . . . . 582 LEU QD1 . 16772 1 36 . 1 1 7 7 LEU HD13 H 1 0.924 0.005 . 2 . . . . 582 LEU QD1 . 16772 1 37 . 1 1 7 7 LEU HD21 H 1 0.893 0.020 . 2 . . . . 582 LEU QD2 . 16772 1 38 . 1 1 7 7 LEU HD22 H 1 0.893 0.020 . 2 . . . . 582 LEU QD2 . 16772 1 39 . 1 1 7 7 LEU HD23 H 1 0.893 0.020 . 2 . . . . 582 LEU QD2 . 16772 1 40 . 1 1 7 7 LEU HG H 1 1.599 0.020 . 1 . . . . 582 LEU HG . 16772 1 41 . 1 1 7 7 LEU C C 13 177.027 0.200 . 1 . . . . 582 LEU C . 16772 1 42 . 1 1 7 7 LEU CA C 13 55.421 0.200 . 1 . . . . 582 LEU CA . 16772 1 43 . 1 1 7 7 LEU CB C 13 43.084 0.200 . 1 . . . . 582 LEU CB . 16772 1 44 . 1 1 7 7 LEU CD1 C 13 25.366 0.200 . 1 . . . . 582 LEU CD1 . 16772 1 45 . 1 1 7 7 LEU CD2 C 13 24.072 0.200 . 1 . . . . 582 LEU CD2 . 16772 1 46 . 1 1 7 7 LEU CG C 13 27.576 0.200 . 1 . . . . 582 LEU CG . 16772 1 47 . 1 1 7 7 LEU N N 15 123.994 0.200 . 1 . . . . 582 LEU N . 16772 1 48 . 1 1 8 8 SER H H 1 8.215 0.020 . 1 . . . . 583 SER H . 16772 1 49 . 1 1 8 8 SER HA H 1 4.593 0.020 . 1 . . . . 583 SER HA . 16772 1 50 . 1 1 8 8 SER HB3 H 1 3.963 0.020 . 2 . . . . 583 SER HB3 . 16772 1 51 . 1 1 8 8 SER C C 13 174.130 0.200 . 1 . . . . 583 SER C . 16772 1 52 . 1 1 8 8 SER CA C 13 58.536 0.200 . 1 . . . . 583 SER CA . 16772 1 53 . 1 1 8 8 SER CB C 13 64.919 0.200 . 1 . . . . 583 SER CB . 16772 1 54 . 1 1 8 8 SER N N 15 116.640 0.200 . 1 . . . . 583 SER N . 16772 1 55 . 1 1 9 9 ARG H H 1 8.313 0.020 . 1 . . . . 584 ARG H . 16772 1 56 . 1 1 9 9 ARG HA H 1 4.952 0.001 . 1 . . . . 584 ARG HA . 16772 1 57 . 1 1 9 9 ARG HB2 H 1 1.888 0.020 . 2 . . . . 584 ARG HB2 . 16772 1 58 . 1 1 9 9 ARG HB3 H 1 1.805 0.020 . 2 . . . . 584 ARG HB3 . 16772 1 59 . 1 1 9 9 ARG HD2 H 1 3.136 0.007 . 2 . . . . 584 ARG HD2 . 16772 1 60 . 1 1 9 9 ARG HD3 H 1 3.101 0.007 . 2 . . . . 584 ARG HD3 . 16772 1 61 . 1 1 9 9 ARG HE H 1 6.805 0.020 . 1 . . . . 584 ARG HE . 16772 1 62 . 1 1 9 9 ARG HG2 H 1 1.534 0.002 . 2 . . . . 584 ARG HG2 . 16772 1 63 . 1 1 9 9 ARG HG3 H 1 1.617 0.020 . 2 . . . . 584 ARG HG3 . 16772 1 64 . 1 1 9 9 ARG C C 13 176.231 0.200 . 1 . . . . 584 ARG C . 16772 1 65 . 1 1 9 9 ARG CA C 13 56.137 0.200 . 1 . . . . 584 ARG CA . 16772 1 66 . 1 1 9 9 ARG CB C 13 32.280 0.200 . 1 . . . . 584 ARG CB . 16772 1 67 . 1 1 9 9 ARG CD C 13 44.132 0.200 . 1 . . . . 584 ARG CD . 16772 1 68 . 1 1 9 9 ARG CG C 13 27.718 0.200 . 1 . . . . 584 ARG CG . 16772 1 69 . 1 1 9 9 ARG N N 15 123.448 0.200 . 1 . . . . 584 ARG N . 16772 1 70 . 1 1 9 9 ARG NE N 15 84.188 0.200 . 1 . . . . 584 ARG NE . 16772 1 71 . 1 1 10 10 THR H H 1 8.744 0.020 . 1 . . . . 585 THR H . 16772 1 72 . 1 1 10 10 THR HA H 1 4.694 0.020 . 1 . . . . 585 THR HA . 16772 1 73 . 1 1 10 10 THR HB H 1 4.351 0.020 . 1 . . . . 585 THR HB . 16772 1 74 . 1 1 10 10 THR HG21 H 1 1.442 0.020 . 1 . . . . 585 THR QG2 . 16772 1 75 . 1 1 10 10 THR HG22 H 1 1.442 0.020 . 1 . . . . 585 THR QG2 . 16772 1 76 . 1 1 10 10 THR HG23 H 1 1.442 0.020 . 1 . . . . 585 THR QG2 . 16772 1 77 . 1 1 10 10 THR C C 13 173.424 0.200 . 1 . . . . 585 THR C . 16772 1 78 . 1 1 10 10 THR CA C 13 62.725 0.200 . 1 . . . . 585 THR CA . 16772 1 79 . 1 1 10 10 THR CB C 13 71.278 0.200 . 1 . . . . 585 THR CB . 16772 1 80 . 1 1 10 10 THR CG2 C 13 22.682 0.200 . 1 . . . . 585 THR CG2 . 16772 1 81 . 1 1 10 10 THR N N 15 120.108 0.200 . 1 . . . . 585 THR N . 16772 1 82 . 1 1 11 11 GLU H H 1 8.687 0.020 . 1 . . . . 586 GLU H . 16772 1 83 . 1 1 11 11 GLU HA H 1 5.173 0.020 . 1 . . . . 586 GLU HA . 16772 1 84 . 1 1 11 11 GLU HB2 H 1 2.217 0.020 . 2 . . . . 586 GLU HB2 . 16772 1 85 . 1 1 11 11 GLU HB3 H 1 2.045 0.020 . 2 . . . . 586 GLU HB3 . 16772 1 86 . 1 1 11 11 GLU HG2 H 1 2.399 0.020 . 2 . . . . 586 GLU HG2 . 16772 1 87 . 1 1 11 11 GLU HG3 H 1 2.330 0.020 . 2 . . . . 586 GLU HG3 . 16772 1 88 . 1 1 11 11 GLU C C 13 176.696 0.200 . 1 . . . . 586 GLU C . 16772 1 89 . 1 1 11 11 GLU CA C 13 55.907 0.200 . 1 . . . . 586 GLU CA . 16772 1 90 . 1 1 11 11 GLU CB C 13 33.181 0.200 . 1 . . . . 586 GLU CB . 16772 1 91 . 1 1 11 11 GLU CG C 13 36.967 0.200 . 1 . . . . 586 GLU CG . 16772 1 92 . 1 1 11 11 GLU N N 15 125.214 0.200 . 1 . . . . 586 GLU N . 16772 1 93 . 1 1 12 12 GLY H H 1 8.943 0.020 . 1 . . . . 587 GLY H . 16772 1 94 . 1 1 12 12 GLY HA2 H 1 4.623 0.020 . 2 . . . . 587 GLY HA2 . 16772 1 95 . 1 1 12 12 GLY HA3 H 1 4.508 0.020 . 2 . . . . 587 GLY HA3 . 16772 1 96 . 1 1 12 12 GLY C C 13 172.974 0.200 . 1 . . . . 587 GLY C . 16772 1 97 . 1 1 12 12 GLY CA C 13 44.901 0.200 . 1 . . . . 587 GLY CA . 16772 1 98 . 1 1 12 12 GLY N N 15 112.722 0.200 . 1 . . . . 587 GLY N . 16772 1 99 . 1 1 13 13 ASP H H 1 8.203 0.020 . 1 . . . . 588 ASP H . 16772 1 100 . 1 1 13 13 ASP HA H 1 5.216 0.020 . 1 . . . . 588 ASP HA . 16772 1 101 . 1 1 13 13 ASP HB2 H 1 2.685 0.002 . 2 . . . . 588 ASP HB2 . 16772 1 102 . 1 1 13 13 ASP HB3 H 1 2.685 0.002 . 2 . . . . 588 ASP HB3 . 16772 1 103 . 1 1 13 13 ASP C C 13 176.486 0.200 . 1 . . . . 588 ASP C . 16772 1 104 . 1 1 13 13 ASP CA C 13 53.327 0.200 . 1 . . . . 588 ASP CA . 16772 1 105 . 1 1 13 13 ASP CB C 13 44.153 0.200 . 1 . . . . 588 ASP CB . 16772 1 106 . 1 1 13 13 ASP N N 15 117.475 0.200 . 1 . . . . 588 ASP N . 16772 1 107 . 1 1 14 14 ASN H H 1 9.449 0.020 . 1 . . . . 589 ASN H . 16772 1 108 . 1 1 14 14 ASN HA H 1 4.528 0.020 . 1 . . . . 589 ASN HA . 16772 1 109 . 1 1 14 14 ASN HB2 H 1 3.061 0.020 . 2 . . . . 589 ASN HB2 . 16772 1 110 . 1 1 14 14 ASN HB3 H 1 2.945 0.020 . 2 . . . . 589 ASN HB3 . 16772 1 111 . 1 1 14 14 ASN C C 13 174.340 0.200 . 1 . . . . 589 ASN C . 16772 1 112 . 1 1 14 14 ASN CA C 13 54.042 0.200 . 1 . . . . 589 ASN CA . 16772 1 113 . 1 1 14 14 ASN CB C 13 38.469 0.200 . 1 . . . . 589 ASN CB . 16772 1 114 . 1 1 14 14 ASN N N 15 117.346 0.200 . 1 . . . . 589 ASN N . 16772 1 115 . 1 1 15 15 CYS H H 1 9.956 0.020 . 1 . . . . 590 CYS H . 16772 1 116 . 1 1 15 15 CYS HA H 1 3.833 0.020 . 1 . . . . 590 CYS HA . 16772 1 117 . 1 1 15 15 CYS HB2 H 1 2.842 0.020 . 2 . . . . 590 CYS HB2 . 16772 1 118 . 1 1 15 15 CYS C C 13 173.004 0.200 . 1 . . . . 590 CYS C . 16772 1 119 . 1 1 15 15 CYS CA C 13 59.999 0.200 . 1 . . . . 590 CYS CA . 16772 1 120 . 1 1 15 15 CYS CB C 13 42.916 0.200 . 1 . . . . 590 CYS CB . 16772 1 121 . 1 1 15 15 CYS N N 15 118.872 0.200 . 1 . . . . 590 CYS N . 16772 1 122 . 1 1 16 16 THR H H 1 7.550 0.020 . 1 . . . . 591 THR H . 16772 1 123 . 1 1 16 16 THR HA H 1 5.364 0.020 . 1 . . . . 591 THR HA . 16772 1 124 . 1 1 16 16 THR HB H 1 4.299 0.020 . 1 . . . . 591 THR HB . 16772 1 125 . 1 1 16 16 THR HG21 H 1 1.269 0.020 . 1 . . . . 591 THR QG2 . 16772 1 126 . 1 1 16 16 THR HG22 H 1 1.269 0.020 . 1 . . . . 591 THR QG2 . 16772 1 127 . 1 1 16 16 THR HG23 H 1 1.269 0.020 . 1 . . . . 591 THR QG2 . 16772 1 128 . 1 1 16 16 THR C C 13 172.794 0.200 . 1 . . . . 591 THR C . 16772 1 129 . 1 1 16 16 THR CA C 13 59.907 0.200 . 1 . . . . 591 THR CA . 16772 1 130 . 1 1 16 16 THR CB C 13 73.816 0.200 . 1 . . . . 591 THR CB . 16772 1 131 . 1 1 16 16 THR CG2 C 13 21.449 0.200 . 1 . . . . 591 THR CG2 . 16772 1 132 . 1 1 16 16 THR N N 15 107.551 0.200 . 1 . . . . 591 THR N . 16772 1 133 . 1 1 17 17 VAL H H 1 8.456 0.020 . 1 . . . . 592 VAL H . 16772 1 134 . 1 1 17 17 VAL HA H 1 4.607 0.020 . 1 . . . . 592 VAL HA . 16772 1 135 . 1 1 17 17 VAL HB H 1 2.245 0.020 . 1 . . . . 592 VAL HB . 16772 1 136 . 1 1 17 17 VAL HG11 H 1 0.907 0.020 . 2 . . . . 592 VAL QG1 . 16772 1 137 . 1 1 17 17 VAL HG12 H 1 0.907 0.020 . 2 . . . . 592 VAL QG1 . 16772 1 138 . 1 1 17 17 VAL HG13 H 1 0.907 0.020 . 2 . . . . 592 VAL QG1 . 16772 1 139 . 1 1 17 17 VAL HG21 H 1 1.016 0.020 . 2 . . . . 592 VAL QG2 . 16772 1 140 . 1 1 17 17 VAL HG22 H 1 1.016 0.020 . 2 . . . . 592 VAL QG2 . 16772 1 141 . 1 1 17 17 VAL HG23 H 1 1.016 0.020 . 2 . . . . 592 VAL QG2 . 16772 1 142 . 1 1 17 17 VAL C C 13 171.878 0.200 . 1 . . . . 592 VAL C . 16772 1 143 . 1 1 17 17 VAL CA C 13 61.985 0.200 . 1 . . . . 592 VAL CA . 16772 1 144 . 1 1 17 17 VAL CB C 13 34.306 0.200 . 1 . . . . 592 VAL CB . 16772 1 145 . 1 1 17 17 VAL CG1 C 13 20.421 0.200 . 1 . . . . 592 VAL CG1 . 16772 1 146 . 1 1 17 17 VAL CG2 C 13 22.991 0.200 . 1 . . . . 592 VAL CG2 . 16772 1 147 . 1 1 17 17 VAL N N 15 117.346 0.200 . 1 . . . . 592 VAL N . 16772 1 148 . 1 1 18 18 PHE H H 1 8.335 0.020 . 1 . . . . 593 PHE H . 16772 1 149 . 1 1 18 18 PHE HA H 1 5.244 0.020 . 1 . . . . 593 PHE HA . 16772 1 150 . 1 1 18 18 PHE HB2 H 1 3.095 0.020 . 2 . . . . 593 PHE HB2 . 16772 1 151 . 1 1 18 18 PHE HB3 H 1 3.121 0.020 . 2 . . . . 593 PHE HB3 . 16772 1 152 . 1 1 18 18 PHE C C 13 174.025 0.200 . 1 . . . . 593 PHE C . 16772 1 153 . 1 1 18 18 PHE CA C 13 56.188 0.200 . 1 . . . . 593 PHE CA . 16772 1 154 . 1 1 18 18 PHE CB C 13 42.015 0.200 . 1 . . . . 593 PHE CB . 16772 1 155 . 1 1 18 18 PHE N N 15 126.274 0.200 . 1 . . . . 593 PHE N . 16772 1 156 . 1 1 19 19 ASP H H 1 8.085 0.020 . 1 . . . . 594 ASP H . 16772 1 157 . 1 1 19 19 ASP HA H 1 4.738 0.020 . 1 . . . . 594 ASP HA . 16772 1 158 . 1 1 19 19 ASP HB2 H 1 2.397 0.020 . 2 . . . . 594 ASP HB2 . 16772 1 159 . 1 1 19 19 ASP HB3 H 1 2.236 0.020 . 2 . . . . 594 ASP HB3 . 16772 1 160 . 1 1 19 19 ASP C C 13 176.388 0.007 . 1 . . . . 594 ASP C . 16772 1 161 . 1 1 19 19 ASP CA C 13 53.397 0.200 . 1 . . . . 594 ASP CA . 16772 1 162 . 1 1 19 19 ASP CB C 13 44.041 0.200 . 1 . . . . 594 ASP CB . 16772 1 163 . 1 1 19 19 ASP N N 15 122.517 0.200 . 1 . . . . 594 ASP N . 16772 1 164 . 1 1 20 20 SER H H 1 8.670 0.020 . 1 . . . . 595 SER H . 16772 1 165 . 1 1 20 20 SER HA H 1 4.091 0.020 . 1 . . . . 595 SER HA . 16772 1 166 . 1 1 20 20 SER HB3 H 1 3.955 0.020 . 2 . . . . 595 SER HB3 . 16772 1 167 . 1 1 20 20 SER C C 13 175.946 0.200 . 1 . . . . 595 SER C . 16772 1 168 . 1 1 20 20 SER CA C 13 60.988 0.200 . 1 . . . . 595 SER CA . 16772 1 169 . 1 1 20 20 SER CB C 13 63.962 0.200 . 1 . . . . 595 SER CB . 16772 1 170 . 1 1 20 20 SER N N 15 121.483 0.200 . 1 . . . . 595 SER N . 16772 1 171 . 1 1 21 21 GLN H H 1 8.252 0.020 . 1 . . . . 596 GLN H . 16772 1 172 . 1 1 21 21 GLN HA H 1 4.228 0.002 . 1 . . . . 596 GLN HA . 16772 1 173 . 1 1 21 21 GLN HB2 H 1 2.260 0.020 . 2 . . . . 596 GLN HB2 . 16772 1 174 . 1 1 21 21 GLN HB3 H 1 2.263 0.020 . 2 . . . . 596 GLN HB3 . 16772 1 175 . 1 1 21 21 GLN HE21 H 1 7.582 0.020 . 2 . . . . 596 GLN HE21 . 16772 1 176 . 1 1 21 21 GLN HE22 H 1 6.855 0.020 . 2 . . . . 596 GLN HE22 . 16772 1 177 . 1 1 21 21 GLN HG2 H 1 2.491 0.020 . 2 . . . . 596 GLN HG2 . 16772 1 178 . 1 1 21 21 GLN HG3 H 1 2.408 0.003 . 2 . . . . 596 GLN HG3 . 16772 1 179 . 1 1 21 21 GLN C C 13 177.357 0.200 . 1 . . . . 596 GLN C . 16772 1 180 . 1 1 21 21 GLN CA C 13 58.614 0.200 . 1 . . . . 596 GLN CA . 16772 1 181 . 1 1 21 21 GLN CB C 13 28.823 0.207 . 1 . . . . 596 GLN CB . 16772 1 182 . 1 1 21 21 GLN CG C 13 34.817 0.234 . 1 . . . . 596 GLN CG . 16772 1 183 . 1 1 21 21 GLN N N 15 122.035 0.200 . 1 . . . . 596 GLN N . 16772 1 184 . 1 1 21 21 GLN NE2 N 15 112.449 0.200 . 1 . . . . 596 GLN NE2 . 16772 1 185 . 1 1 22 22 ALA H H 1 7.954 0.020 . 1 . . . . 597 ALA H . 16772 1 186 . 1 1 22 22 ALA HA H 1 4.202 0.020 . 1 . . . . 597 ALA HA . 16772 1 187 . 1 1 22 22 ALA HB1 H 1 1.040 0.020 . 1 . . . . 597 ALA QB . 16772 1 188 . 1 1 22 22 ALA HB2 H 1 1.040 0.020 . 1 . . . . 597 ALA QB . 16772 1 189 . 1 1 22 22 ALA HB3 H 1 1.040 0.020 . 1 . . . . 597 ALA QB . 16772 1 190 . 1 1 22 22 ALA C C 13 178.423 0.200 . 1 . . . . 597 ALA C . 16772 1 191 . 1 1 22 22 ALA CA C 13 52.613 0.200 . 1 . . . . 597 ALA CA . 16772 1 192 . 1 1 22 22 ALA CB C 13 19.955 0.200 . 1 . . . . 597 ALA CB . 16772 1 193 . 1 1 22 22 ALA N N 15 120.622 0.200 . 1 . . . . 597 ALA N . 16772 1 194 . 1 1 23 23 GLY H H 1 7.830 0.020 . 1 . . . . 598 GLY H . 16772 1 195 . 1 1 23 23 GLY HA2 H 1 4.004 0.020 . 2 . . . . 598 GLY HA2 . 16772 1 196 . 1 1 23 23 GLY HA3 H 1 3.694 0.020 . 2 . . . . 598 GLY HA3 . 16772 1 197 . 1 1 23 23 GLY C C 13 174.400 0.200 . 1 . . . . 598 GLY C . 16772 1 198 . 1 1 23 23 GLY CA C 13 46.357 0.200 . 1 . . . . 598 GLY CA . 16772 1 199 . 1 1 23 23 GLY N N 15 105.464 0.200 . 1 . . . . 598 GLY N . 16772 1 200 . 1 1 24 24 PHE H H 1 6.856 0.020 . 1 . . . . 599 PHE H . 16772 1 201 . 1 1 24 24 PHE HA H 1 4.969 0.020 . 1 . . . . 599 PHE HA . 16772 1 202 . 1 1 24 24 PHE HB2 H 1 2.803 0.020 . 2 . . . . 599 PHE HB2 . 16772 1 203 . 1 1 24 24 PHE HB3 H 1 2.657 0.020 . 2 . . . . 599 PHE HB3 . 16772 1 204 . 1 1 24 24 PHE HD1 H 1 7.259 0.020 . 1 . . . . 599 PHE HD1 . 16772 1 205 . 1 1 24 24 PHE HD2 H 1 7.259 0.020 . 1 . . . . 599 PHE HD2 . 16772 1 206 . 1 1 24 24 PHE C C 13 174.259 0.006 . 1 . . . . 599 PHE C . 16772 1 207 . 1 1 24 24 PHE CA C 13 54.732 0.200 . 1 . . . . 599 PHE CA . 16772 1 208 . 1 1 24 24 PHE CB C 13 42.184 0.200 . 1 . . . . 599 PHE CB . 16772 1 209 . 1 1 24 24 PHE CD1 C 13 131.530 0.200 . 1 . . . . 599 PHE CD1 . 16772 1 210 . 1 1 24 24 PHE N N 15 116.640 0.200 . 1 . . . . 599 PHE N . 16772 1 211 . 1 1 25 25 SER H H 1 8.103 0.020 . 1 . . . . 600 SER H . 16772 1 212 . 1 1 25 25 SER HA H 1 4.918 0.020 . 1 . . . . 600 SER HA . 16772 1 213 . 1 1 25 25 SER HB2 H 1 3.682 0.020 . 2 . . . . 600 SER HB2 . 16772 1 214 . 1 1 25 25 SER C C 13 172.674 0.200 . 1 . . . . 600 SER C . 16772 1 215 . 1 1 25 25 SER CA C 13 57.332 0.200 . 1 . . . . 600 SER CA . 16772 1 216 . 1 1 25 25 SER CB C 13 65.642 0.200 . 1 . . . . 600 SER CB . 16772 1 217 . 1 1 25 25 SER N N 15 116.062 0.200 . 1 . . . . 600 SER N . 16772 1 218 . 1 1 26 26 PHE H H 1 8.779 0.020 . 1 . . . . 601 PHE H . 16772 1 219 . 1 1 26 26 PHE HA H 1 4.983 0.020 . 1 . . . . 601 PHE HA . 16772 1 220 . 1 1 26 26 PHE HB2 H 1 2.669 0.020 . 2 . . . . 601 PHE HB2 . 16772 1 221 . 1 1 26 26 PHE HB3 H 1 2.853 0.020 . 2 . . . . 601 PHE HB3 . 16772 1 222 . 1 1 26 26 PHE C C 13 175.195 0.200 . 1 . . . . 601 PHE C . 16772 1 223 . 1 1 26 26 PHE CA C 13 57.082 0.200 . 1 . . . . 601 PHE CA . 16772 1 224 . 1 1 26 26 PHE CB C 13 42.288 0.200 . 1 . . . . 601 PHE CB . 16772 1 225 . 1 1 26 26 PHE N N 15 122.231 0.200 . 1 . . . . 601 PHE N . 16772 1 226 . 1 1 27 27 ASP H H 1 9.004 0.020 . 1 . . . . 602 ASP H . 16772 1 227 . 1 1 27 27 ASP HA H 1 5.071 0.020 . 1 . . . . 602 ASP HA . 16772 1 228 . 1 1 27 27 ASP HB2 H 1 2.982 0.020 . 2 . . . . 602 ASP HB2 . 16772 1 229 . 1 1 27 27 ASP HB3 H 1 2.601 0.020 . 2 . . . . 602 ASP HB3 . 16772 1 230 . 1 1 27 27 ASP C C 13 175.316 0.200 . 1 . . . . 602 ASP C . 16772 1 231 . 1 1 27 27 ASP CA C 13 53.787 0.200 . 1 . . . . 602 ASP CA . 16772 1 232 . 1 1 27 27 ASP CB C 13 42.578 0.200 . 1 . . . . 602 ASP CB . 16772 1 233 . 1 1 27 27 ASP N N 15 123.191 0.200 . 1 . . . . 602 ASP N . 16772 1 234 . 1 1 28 28 LEU H H 1 8.198 0.020 . 1 . . . . 603 LEU H . 16772 1 235 . 1 1 28 28 LEU HA H 1 4.353 0.020 . 1 . . . . 603 LEU HA . 16772 1 236 . 1 1 28 28 LEU HB2 H 1 1.271 0.020 . 2 . . . . 603 LEU HB2 . 16772 1 237 . 1 1 28 28 LEU HB3 H 1 1.459 0.020 . 2 . . . . 603 LEU HB3 . 16772 1 238 . 1 1 28 28 LEU HD11 H 1 -0.058 0.020 . 2 . . . . 603 LEU QD1 . 16772 1 239 . 1 1 28 28 LEU HD12 H 1 -0.058 0.020 . 2 . . . . 603 LEU QD1 . 16772 1 240 . 1 1 28 28 LEU HD13 H 1 -0.058 0.020 . 2 . . . . 603 LEU QD1 . 16772 1 241 . 1 1 28 28 LEU HD21 H 1 -0.107 0.020 . 2 . . . . 603 LEU QD2 . 16772 1 242 . 1 1 28 28 LEU HD22 H 1 -0.107 0.020 . 2 . . . . 603 LEU QD2 . 16772 1 243 . 1 1 28 28 LEU HD23 H 1 -0.107 0.020 . 2 . . . . 603 LEU QD2 . 16772 1 244 . 1 1 28 28 LEU HG H 1 1.005 0.020 . 1 . . . . 603 LEU HG . 16772 1 245 . 1 1 28 28 LEU C C 13 176.997 0.200 . 1 . . . . 603 LEU C . 16772 1 246 . 1 1 28 28 LEU CA C 13 54.528 0.200 . 1 . . . . 603 LEU CA . 16772 1 247 . 1 1 28 28 LEU CB C 13 41.452 0.200 . 1 . . . . 603 LEU CB . 16772 1 248 . 1 1 28 28 LEU CD1 C 13 24.418 0.083 . 1 . . . . 603 LEU CD1 . 16772 1 249 . 1 1 28 28 LEU CD2 C 13 23.425 0.200 . 1 . . . . 603 LEU CD2 . 16772 1 250 . 1 1 28 28 LEU CG C 13 29.572 0.200 . 1 . . . . 603 LEU CG . 16772 1 251 . 1 1 28 28 LEU N N 15 123.255 0.200 . 1 . . . . 603 LEU N . 16772 1 252 . 1 1 29 29 THR H H 1 8.785 0.020 . 1 . . . . 604 THR H . 16772 1 253 . 1 1 29 29 THR HA H 1 4.103 0.005 . 1 . . . . 604 THR HA . 16772 1 254 . 1 1 29 29 THR HB H 1 4.287 0.001 . 1 . . . . 604 THR HB . 16772 1 255 . 1 1 29 29 THR HG21 H 1 1.417 0.001 . 1 . . . . 604 THR QG2 . 16772 1 256 . 1 1 29 29 THR HG22 H 1 1.417 0.001 . 1 . . . . 604 THR QG2 . 16772 1 257 . 1 1 29 29 THR HG23 H 1 1.417 0.001 . 1 . . . . 604 THR QG2 . 16772 1 258 . 1 1 29 29 THR CA C 13 67.753 0.200 . 1 . . . . 604 THR CA . 16772 1 259 . 1 1 29 29 THR CB C 13 69.370 0.200 . 1 . . . . 604 THR CB . 16772 1 260 . 1 1 29 29 THR CG2 C 13 23.425 0.200 . 1 . . . . 604 THR CG2 . 16772 1 261 . 1 1 29 29 THR N N 15 116.479 0.200 . 1 . . . . 604 THR N . 16772 1 262 . 1 1 30 30 PRO HA H 1 4.353 0.003 . 1 . . . . 605 PRO HA . 16772 1 263 . 1 1 30 30 PRO HB2 H 1 2.248 0.003 . 2 . . . . 605 PRO HB2 . 16772 1 264 . 1 1 30 30 PRO HB3 H 1 0.743 0.002 . 2 . . . . 605 PRO HB3 . 16772 1 265 . 1 1 30 30 PRO HD2 H 1 2.853 0.002 . 2 . . . . 605 PRO HD2 . 16772 1 266 . 1 1 30 30 PRO HD3 H 1 3.716 0.002 . 2 . . . . 605 PRO HD3 . 16772 1 267 . 1 1 30 30 PRO HG2 H 1 1.717 0.002 . 2 . . . . 605 PRO HG2 . 16772 1 268 . 1 1 30 30 PRO HG3 H 1 1.717 0.002 . 2 . . . . 605 PRO HG3 . 16772 1 269 . 1 1 30 30 PRO C C 13 176.696 0.200 . 1 . . . . 605 PRO C . 16772 1 270 . 1 1 30 30 PRO CA C 13 65.541 0.200 . 1 . . . . 605 PRO CA . 16772 1 271 . 1 1 30 30 PRO CB C 13 31.604 0.200 . 1 . . . . 605 PRO CB . 16772 1 272 . 1 1 30 30 PRO CD C 13 51.251 0.200 . 1 . . . . 605 PRO CD . 16772 1 273 . 1 1 30 30 PRO CG C 13 28.540 0.200 . 1 . . . . 605 PRO CG . 16772 1 274 . 1 1 31 31 LEU H H 1 7.975 0.020 . 1 . . . . 606 LEU H . 16772 1 275 . 1 1 31 31 LEU HA H 1 4.247 0.020 . 1 . . . . 606 LEU HA . 16772 1 276 . 1 1 31 31 LEU HB2 H 1 1.729 0.020 . 2 . . . . 606 LEU HB2 . 16772 1 277 . 1 1 31 31 LEU HB3 H 1 1.467 0.020 . 2 . . . . 606 LEU HB3 . 16772 1 278 . 1 1 31 31 LEU HD11 H 1 0.608 0.020 . 2 . . . . 606 LEU QD1 . 16772 1 279 . 1 1 31 31 LEU HD12 H 1 0.608 0.020 . 2 . . . . 606 LEU QD1 . 16772 1 280 . 1 1 31 31 LEU HD13 H 1 0.608 0.020 . 2 . . . . 606 LEU QD1 . 16772 1 281 . 1 1 31 31 LEU HD21 H 1 0.350 0.020 . 2 . . . . 606 LEU QD2 . 16772 1 282 . 1 1 31 31 LEU HD22 H 1 0.350 0.020 . 2 . . . . 606 LEU QD2 . 16772 1 283 . 1 1 31 31 LEU HD23 H 1 0.350 0.020 . 2 . . . . 606 LEU QD2 . 16772 1 284 . 1 1 31 31 LEU HG H 1 1.495 0.020 . 1 . . . . 606 LEU HG . 16772 1 285 . 1 1 31 31 LEU C C 13 179.233 0.200 . 1 . . . . 606 LEU C . 16772 1 286 . 1 1 31 31 LEU CA C 13 56.264 0.200 . 1 . . . . 606 LEU CA . 16772 1 287 . 1 1 31 31 LEU CB C 13 41.959 0.200 . 1 . . . . 606 LEU CB . 16772 1 288 . 1 1 31 31 LEU CD1 C 13 25.149 0.200 . 1 . . . . 606 LEU CD1 . 16772 1 289 . 1 1 31 31 LEU CD2 C 13 25.690 0.200 . 1 . . . . 606 LEU CD2 . 16772 1 290 . 1 1 31 31 LEU CG C 13 29.572 0.200 . 1 . . . . 606 LEU CG . 16772 1 291 . 1 1 31 31 LEU N N 15 114.135 0.200 . 1 . . . . 606 LEU N . 16772 1 292 . 1 1 32 32 THR H H 1 7.953 0.020 . 1 . . . . 607 THR H . 16772 1 293 . 1 1 32 32 THR HA H 1 4.271 0.020 . 1 . . . . 607 THR HA . 16772 1 294 . 1 1 32 32 THR HB H 1 4.052 0.020 . 1 . . . . 607 THR HB . 16772 1 295 . 1 1 32 32 THR HG21 H 1 1.286 0.020 . 1 . . . . 607 THR QG2 . 16772 1 296 . 1 1 32 32 THR HG22 H 1 1.286 0.020 . 1 . . . . 607 THR QG2 . 16772 1 297 . 1 1 32 32 THR HG23 H 1 1.286 0.020 . 1 . . . . 607 THR QG2 . 16772 1 298 . 1 1 32 32 THR C C 13 174.910 0.200 . 1 . . . . 607 THR C . 16772 1 299 . 1 1 32 32 THR CA C 13 66.096 0.200 . 1 . . . . 607 THR CA . 16772 1 300 . 1 1 32 32 THR CB C 13 69.534 0.200 . 1 . . . . 607 THR CB . 16772 1 301 . 1 1 32 32 THR CG2 C 13 22.169 0.200 . 1 . . . . 607 THR CG2 . 16772 1 302 . 1 1 32 32 THR N N 15 119.594 0.200 . 1 . . . . 607 THR N . 16772 1 303 . 1 1 33 33 LYS H H 1 9.132 0.020 . 1 . . . . 608 LYS H . 16772 1 304 . 1 1 33 33 LYS HA H 1 4.791 0.020 . 1 . . . . 608 LYS HA . 16772 1 305 . 1 1 33 33 LYS HB2 H 1 1.856 0.020 . 2 . . . . 608 LYS HB2 . 16772 1 306 . 1 1 33 33 LYS HB3 H 1 1.583 0.020 . 2 . . . . 608 LYS HB3 . 16772 1 307 . 1 1 33 33 LYS HD2 H 1 1.110 0.001 . 2 . . . . 608 LYS HD2 . 16772 1 308 . 1 1 33 33 LYS HE2 H 1 2.834 0.008 . 2 . . . . 608 LYS HE2 . 16772 1 309 . 1 1 33 33 LYS HG2 H 1 1.536 0.020 . 2 . . . . 608 LYS HG2 . 16772 1 310 . 1 1 33 33 LYS HG3 H 1 1.462 0.020 . 2 . . . . 608 LYS HG3 . 16772 1 311 . 1 1 33 33 LYS C C 13 177.297 0.200 . 1 . . . . 608 LYS C . 16772 1 312 . 1 1 33 33 LYS CA C 13 55.601 0.200 . 1 . . . . 608 LYS CA . 16772 1 313 . 1 1 33 33 LYS CB C 13 37.175 0.200 . 1 . . . . 608 LYS CB . 16772 1 314 . 1 1 33 33 LYS CD C 13 29.260 0.200 . 1 . . . . 608 LYS CD . 16772 1 315 . 1 1 33 33 LYS CE C 13 42.191 0.200 . 1 . . . . 608 LYS CE . 16772 1 316 . 1 1 33 33 LYS CG C 13 26.176 0.200 . 1 . . . . 608 LYS CG . 16772 1 317 . 1 1 33 33 LYS N N 15 130.320 0.200 . 1 . . . . 608 LYS N . 16772 1 318 . 1 1 34 34 LYS H H 1 8.739 0.020 . 1 . . . . 609 LYS H . 16772 1 319 . 1 1 34 34 LYS HA H 1 4.204 0.020 . 1 . . . . 609 LYS HA . 16772 1 320 . 1 1 34 34 LYS HB2 H 1 1.887 0.020 . 2 . . . . 609 LYS HB2 . 16772 1 321 . 1 1 34 34 LYS HD2 H 1 1.753 0.020 . 2 . . . . 609 LYS HD2 . 16772 1 322 . 1 1 34 34 LYS HE2 H 1 3.078 0.020 . 2 . . . . 609 LYS HE2 . 16772 1 323 . 1 1 34 34 LYS HE3 H 1 3.078 0.020 . 2 . . . . 609 LYS HE3 . 16772 1 324 . 1 1 34 34 LYS HG2 H 1 1.523 0.020 . 2 . . . . 609 LYS HG2 . 16772 1 325 . 1 1 34 34 LYS C C 13 176.967 0.200 . 1 . . . . 609 LYS C . 16772 1 326 . 1 1 34 34 LYS CA C 13 59.016 0.200 . 1 . . . . 609 LYS CA . 16772 1 327 . 1 1 34 34 LYS CB C 13 32.898 0.200 . 1 . . . . 609 LYS CB . 16772 1 328 . 1 1 34 34 LYS CD C 13 29.054 0.200 . 1 . . . . 609 LYS CD . 16772 1 329 . 1 1 34 34 LYS CE C 13 42.760 0.200 . 1 . . . . 609 LYS CE . 16772 1 330 . 1 1 34 34 LYS CG C 13 25.042 0.200 . 1 . . . . 609 LYS CG . 16772 1 331 . 1 1 34 34 LYS N N 15 121.682 0.200 . 1 . . . . 609 LYS N . 16772 1 332 . 1 1 35 35 ASP H H 1 7.914 0.020 . 1 . . . . 610 ASP H . 16772 1 333 . 1 1 35 35 ASP HA H 1 4.789 0.020 . 1 . . . . 610 ASP HA . 16772 1 334 . 1 1 35 35 ASP HB2 H 1 2.770 0.020 . 2 . . . . 610 ASP HB2 . 16772 1 335 . 1 1 35 35 ASP C C 13 174.640 0.200 . 1 . . . . 610 ASP C . 16772 1 336 . 1 1 35 35 ASP CA C 13 54.299 0.200 . 1 . . . . 610 ASP CA . 16772 1 337 . 1 1 35 35 ASP CB C 13 41.115 0.200 . 1 . . . . 610 ASP CB . 16772 1 338 . 1 1 35 35 ASP N N 15 116.351 0.200 . 1 . . . . 610 ASP N . 16772 1 339 . 1 1 36 36 ALA H H 1 8.484 0.020 . 1 . . . . 611 ALA H . 16772 1 340 . 1 1 36 36 ALA HA H 1 4.140 0.020 . 1 . . . . 611 ALA HA . 16772 1 341 . 1 1 36 36 ALA HB1 H 1 1.707 0.020 . 1 . . . . 611 ALA QB . 16772 1 342 . 1 1 36 36 ALA HB2 H 1 1.707 0.020 . 1 . . . . 611 ALA QB . 16772 1 343 . 1 1 36 36 ALA HB3 H 1 1.707 0.020 . 1 . . . . 611 ALA QB . 16772 1 344 . 1 1 36 36 ALA C C 13 176.141 0.200 . 1 . . . . 611 ALA C . 16772 1 345 . 1 1 36 36 ALA CA C 13 53.516 0.200 . 1 . . . . 611 ALA CA . 16772 1 346 . 1 1 36 36 ALA CB C 13 21.483 0.200 . 1 . . . . 611 ALA CB . 16772 1 347 . 1 1 36 36 ALA N N 15 118.502 0.200 . 1 . . . . 611 ALA N . 16772 1 348 . 1 1 37 37 TYR H H 1 9.192 0.020 . 1 . . . . 612 TYR H . 16772 1 349 . 1 1 37 37 TYR HA H 1 4.646 0.020 . 1 . . . . 612 TYR HA . 16772 1 350 . 1 1 37 37 TYR HB2 H 1 2.876 0.020 . 2 . . . . 612 TYR HB2 . 16772 1 351 . 1 1 37 37 TYR HB3 H 1 2.447 0.020 . 2 . . . . 612 TYR HB3 . 16772 1 352 . 1 1 37 37 TYR HD1 H 1 7.474 0.020 . 1 . . . . 612 TYR HD1 . 16772 1 353 . 1 1 37 37 TYR HD2 H 1 7.474 0.020 . 1 . . . . 612 TYR HD2 . 16772 1 354 . 1 1 37 37 TYR HE1 H 1 7.391 0.020 . 1 . . . . 612 TYR HE1 . 16772 1 355 . 1 1 37 37 TYR HE2 H 1 7.391 0.020 . 1 . . . . 612 TYR HE2 . 16772 1 356 . 1 1 37 37 TYR HH H 1 10.644 0.020 . 1 . . . . 612 TYR HH . 16772 1 357 . 1 1 37 37 TYR C C 13 175.015 0.200 . 1 . . . . 612 TYR C . 16772 1 358 . 1 1 37 37 TYR CA C 13 58.435 0.200 . 1 . . . . 612 TYR CA . 16772 1 359 . 1 1 37 37 TYR CB C 13 39.300 0.200 . 1 . . . . 612 TYR CB . 16772 1 360 . 1 1 37 37 TYR CD1 C 13 134.118 0.200 . 1 . . . . 612 TYR CD1 . 16772 1 361 . 1 1 37 37 TYR CE1 C 13 119.105 0.200 . 1 . . . . 612 TYR CE1 . 16772 1 362 . 1 1 37 37 TYR N N 15 119.819 0.200 . 1 . . . . 612 TYR N . 16772 1 363 . 1 1 38 38 LYS H H 1 8.711 0.020 . 1 . . . . 613 LYS H . 16772 1 364 . 1 1 38 38 LYS HA H 1 5.271 0.001 . 1 . . . . 613 LYS HA . 16772 1 365 . 1 1 38 38 LYS HB2 H 1 1.886 0.020 . 2 . . . . 613 LYS HB2 . 16772 1 366 . 1 1 38 38 LYS HB3 H 1 1.688 0.001 . 2 . . . . 613 LYS HB3 . 16772 1 367 . 1 1 38 38 LYS HD2 H 1 1.710 0.001 . 2 . . . . 613 LYS HD2 . 16772 1 368 . 1 1 38 38 LYS HE2 H 1 3.056 0.020 . 2 . . . . 613 LYS HE2 . 16772 1 369 . 1 1 38 38 LYS HE3 H 1 2.890 0.003 . 2 . . . . 613 LYS HE3 . 16772 1 370 . 1 1 38 38 LYS HG2 H 1 1.005 0.001 . 2 . . . . 613 LYS HG2 . 16772 1 371 . 1 1 38 38 LYS HG3 H 1 0.936 0.005 . 2 . . . . 613 LYS HG3 . 16772 1 372 . 1 1 38 38 LYS C C 13 175.766 0.200 . 1 . . . . 613 LYS C . 16772 1 373 . 1 1 38 38 LYS CA C 13 55.422 0.200 . 1 . . . . 613 LYS CA . 16772 1 374 . 1 1 38 38 LYS CB C 13 34.756 0.200 . 1 . . . . 613 LYS CB . 16772 1 375 . 1 1 38 38 LYS CD C 13 29.876 0.200 . 1 . . . . 613 LYS CD . 16772 1 376 . 1 1 38 38 LYS CE C 13 42.191 0.200 . 1 . . . . 613 LYS CE . 16772 1 377 . 1 1 38 38 LYS CG C 13 25.252 0.200 . 1 . . . . 613 LYS CG . 16772 1 378 . 1 1 38 38 LYS N N 15 124.475 0.200 . 1 . . . . 613 LYS N . 16772 1 379 . 1 1 39 39 VAL H H 1 9.347 0.020 . 1 . . . . 614 VAL H . 16772 1 380 . 1 1 39 39 VAL HA H 1 4.548 0.020 . 1 . . . . 614 VAL HA . 16772 1 381 . 1 1 39 39 VAL HB H 1 2.331 0.020 . 1 . . . . 614 VAL HB . 16772 1 382 . 1 1 39 39 VAL HG11 H 1 1.292 0.020 . 2 . . . . 614 VAL QG1 . 16772 1 383 . 1 1 39 39 VAL HG12 H 1 1.292 0.020 . 2 . . . . 614 VAL QG1 . 16772 1 384 . 1 1 39 39 VAL HG13 H 1 1.292 0.020 . 2 . . . . 614 VAL QG1 . 16772 1 385 . 1 1 39 39 VAL HG21 H 1 0.979 0.020 . 2 . . . . 614 VAL QG2 . 16772 1 386 . 1 1 39 39 VAL HG22 H 1 0.979 0.020 . 2 . . . . 614 VAL QG2 . 16772 1 387 . 1 1 39 39 VAL HG23 H 1 0.979 0.020 . 2 . . . . 614 VAL QG2 . 16772 1 388 . 1 1 39 39 VAL C C 13 175.240 0.200 . 1 . . . . 614 VAL C . 16772 1 389 . 1 1 39 39 VAL CA C 13 61.754 0.200 . 1 . . . . 614 VAL CA . 16772 1 390 . 1 1 39 39 VAL CB C 13 35.093 0.200 . 1 . . . . 614 VAL CB . 16772 1 391 . 1 1 39 39 VAL CG1 C 13 21.807 0.200 . 1 . . . . 614 VAL CG1 . 16772 1 392 . 1 1 39 39 VAL CG2 C 13 21.757 0.200 . 1 . . . . 614 VAL CG2 . 16772 1 393 . 1 1 39 39 VAL N N 15 128.103 0.200 . 1 . . . . 614 VAL N . 16772 1 394 . 1 1 40 40 GLU H H 1 9.061 0.020 . 1 . . . . 615 GLU H . 16772 1 395 . 1 1 40 40 GLU HA H 1 5.175 0.001 . 1 . . . . 615 GLU HA . 16772 1 396 . 1 1 40 40 GLU HB2 H 1 2.137 0.001 . 2 . . . . 615 GLU HB2 . 16772 1 397 . 1 1 40 40 GLU HB3 H 1 2.107 0.020 . 2 . . . . 615 GLU HB3 . 16772 1 398 . 1 1 40 40 GLU HG2 H 1 2.337 0.020 . 2 . . . . 615 GLU HG2 . 16772 1 399 . 1 1 40 40 GLU HG3 H 1 2.246 0.001 . 2 . . . . 615 GLU HG3 . 16772 1 400 . 1 1 40 40 GLU C C 13 176.546 0.200 . 1 . . . . 615 GLU C . 16772 1 401 . 1 1 40 40 GLU CA C 13 56.392 0.200 . 1 . . . . 615 GLU CA . 16772 1 402 . 1 1 40 40 GLU CB C 13 33.145 0.022 . 1 . . . . 615 GLU CB . 16772 1 403 . 1 1 40 40 GLU CG C 13 37.725 0.064 . 1 . . . . 615 GLU CG . 16772 1 404 . 1 1 40 40 GLU N N 15 126.723 0.200 . 1 . . . . 615 GLU N . 16772 1 405 . 1 1 41 41 THR H H 1 8.999 0.020 . 1 . . . . 616 THR H . 16772 1 406 . 1 1 41 41 THR HA H 1 5.090 0.020 . 1 . . . . 616 THR HA . 16772 1 407 . 1 1 41 41 THR HB H 1 4.931 0.020 . 1 . . . . 616 THR HB . 16772 1 408 . 1 1 41 41 THR HG1 H 1 5.850 0.020 . 1 . . . . 616 THR HG1 . 16772 1 409 . 1 1 41 41 THR HG21 H 1 1.485 0.020 . 1 . . . . 616 THR QG2 . 16772 1 410 . 1 1 41 41 THR HG22 H 1 1.485 0.020 . 1 . . . . 616 THR QG2 . 16772 1 411 . 1 1 41 41 THR HG23 H 1 1.485 0.020 . 1 . . . . 616 THR QG2 . 16772 1 412 . 1 1 41 41 THR C C 13 174.340 0.200 . 1 . . . . 616 THR C . 16772 1 413 . 1 1 41 41 THR CA C 13 60.069 0.200 . 1 . . . . 616 THR CA . 16772 1 414 . 1 1 41 41 THR CB C 13 72.235 0.200 . 1 . . . . 616 THR CB . 16772 1 415 . 1 1 41 41 THR CG2 C 13 22.477 0.200 . 1 . . . . 616 THR CG2 . 16772 1 416 . 1 1 41 41 THR N N 15 115.740 0.200 . 1 . . . . 616 THR N . 16772 1 417 . 1 1 42 42 ASP H H 1 8.808 0.020 . 1 . . . . 617 ASP H . 16772 1 418 . 1 1 42 42 ASP HA H 1 4.391 0.020 . 1 . . . . 617 ASP HA . 16772 1 419 . 1 1 42 42 ASP HB2 H 1 2.831 0.020 . 2 . . . . 617 ASP HB2 . 16772 1 420 . 1 1 42 42 ASP HB3 H 1 2.807 0.001 . 2 . . . . 617 ASP HB3 . 16772 1 421 . 1 1 42 42 ASP C C 13 177.971 0.200 . 1 . . . . 617 ASP C . 16772 1 422 . 1 1 42 42 ASP CA C 13 58.000 0.200 . 1 . . . . 617 ASP CA . 16772 1 423 . 1 1 42 42 ASP CB C 13 40.946 0.200 . 1 . . . . 617 ASP CB . 16772 1 424 . 1 1 42 42 ASP N N 15 118.310 0.200 . 1 . . . . 617 ASP N . 16772 1 425 . 1 1 43 43 LYS H H 1 7.949 0.020 . 1 . . . . 618 LYS H . 16772 1 426 . 1 1 43 43 LYS HA H 1 4.321 0.020 . 1 . . . . 618 LYS HA . 16772 1 427 . 1 1 43 43 LYS HB2 H 1 1.248 0.020 . 2 . . . . 618 LYS HB2 . 16772 1 428 . 1 1 43 43 LYS HB3 H 1 1.083 0.020 . 2 . . . . 618 LYS HB3 . 16772 1 429 . 1 1 43 43 LYS HD2 H 1 1.687 0.020 . 2 . . . . 618 LYS HD2 . 16772 1 430 . 1 1 43 43 LYS HE2 H 1 3.043 0.020 . 2 . . . . 618 LYS HE2 . 16772 1 431 . 1 1 43 43 LYS HE3 H 1 3.043 0.020 . 2 . . . . 618 LYS HE3 . 16772 1 432 . 1 1 43 43 LYS HG2 H 1 1.370 0.020 . 2 . . . . 618 LYS HG2 . 16772 1 433 . 1 1 43 43 LYS C C 13 177.147 0.200 . 1 . . . . 618 LYS C . 16772 1 434 . 1 1 43 43 LYS CA C 13 57.208 0.200 . 1 . . . . 618 LYS CA . 16772 1 435 . 1 1 43 43 LYS CB C 13 35.657 0.200 . 1 . . . . 618 LYS CB . 16772 1 436 . 1 1 43 43 LYS CD C 13 29.362 0.200 . 1 . . . . 618 LYS CD . 16772 1 437 . 1 1 43 43 LYS CE C 13 42.672 0.200 . 1 . . . . 618 LYS CE . 16772 1 438 . 1 1 43 43 LYS CG C 13 25.457 0.200 . 1 . . . . 618 LYS CG . 16772 1 439 . 1 1 43 43 LYS N N 15 114.541 0.200 . 1 . . . . 618 LYS N . 16772 1 440 . 1 1 44 44 TYR H H 1 7.575 0.020 . 1 . . . . 619 TYR H . 16772 1 441 . 1 1 44 44 TYR HA H 1 5.556 0.020 . 1 . . . . 619 TYR HA . 16772 1 442 . 1 1 44 44 TYR HB2 H 1 2.234 0.020 . 2 . . . . 619 TYR HB2 . 16772 1 443 . 1 1 44 44 TYR HB3 H 1 2.342 0.020 . 2 . . . . 619 TYR HB3 . 16772 1 444 . 1 1 44 44 TYR HD1 H 1 7.095 0.020 . 1 . . . . 619 TYR HD1 . 16772 1 445 . 1 1 44 44 TYR HD2 H 1 7.095 0.020 . 1 . . . . 619 TYR HD2 . 16772 1 446 . 1 1 44 44 TYR HE1 H 1 6.943 0.020 . 1 . . . . 619 TYR HE1 . 16772 1 447 . 1 1 44 44 TYR HE2 H 1 6.943 0.020 . 1 . . . . 619 TYR HE2 . 16772 1 448 . 1 1 44 44 TYR C C 13 176.126 1.681 . 1 . . . . 619 TYR C . 16772 1 449 . 1 1 44 44 TYR CA C 13 56.767 0.200 . 1 . . . . 619 TYR CA . 16772 1 450 . 1 1 44 44 TYR CB C 13 43.647 0.200 . 1 . . . . 619 TYR CB . 16772 1 451 . 1 1 44 44 TYR CD1 C 13 134.118 0.200 . 1 . . . . 619 TYR CD1 . 16772 1 452 . 1 1 44 44 TYR CE1 C 13 119.105 0.200 . 1 . . . . 619 TYR CE1 . 16772 1 453 . 1 1 44 44 TYR N N 15 115.965 0.200 . 1 . . . . 619 TYR N . 16772 1 454 . 1 1 45 45 GLU H H 1 9.063 0.020 . 1 . . . . 620 GLU H . 16772 1 455 . 1 1 45 45 GLU HA H 1 4.950 0.002 . 1 . . . . 620 GLU HA . 16772 1 456 . 1 1 45 45 GLU HB2 H 1 2.045 0.002 . 2 . . . . 620 GLU HB2 . 16772 1 457 . 1 1 45 45 GLU HB3 H 1 1.792 0.003 . 2 . . . . 620 GLU HB3 . 16772 1 458 . 1 1 45 45 GLU HG2 H 1 2.290 0.020 . 2 . . . . 620 GLU HG2 . 16772 1 459 . 1 1 45 45 GLU HG3 H 1 2.207 0.004 . 2 . . . . 620 GLU HG3 . 16772 1 460 . 1 1 45 45 GLU C C 13 175.301 0.200 . 1 . . . . 620 GLU C . 16772 1 461 . 1 1 45 45 GLU CA C 13 55.269 0.200 . 1 . . . . 620 GLU CA . 16772 1 462 . 1 1 45 45 GLU CB C 13 33.012 0.200 . 1 . . . . 620 GLU CB . 16772 1 463 . 1 1 45 45 GLU CG C 13 36.691 0.200 . 1 . . . . 620 GLU CG . 16772 1 464 . 1 1 45 45 GLU N N 15 118.502 0.200 . 1 . . . . 620 GLU N . 16772 1 465 . 1 1 46 46 PHE H H 1 9.456 0.020 . 1 . . . . 621 PHE H . 16772 1 466 . 1 1 46 46 PHE HA H 1 5.602 0.020 . 1 . . . . 621 PHE HA . 16772 1 467 . 1 1 46 46 PHE HB2 H 1 3.131 0.020 . 2 . . . . 621 PHE HB2 . 16772 1 468 . 1 1 46 46 PHE HB3 H 1 2.806 0.020 . 2 . . . . 621 PHE HB3 . 16772 1 469 . 1 1 46 46 PHE HD1 H 1 7.051 0.020 . 1 . . . . 621 PHE HD1 . 16772 1 470 . 1 1 46 46 PHE HD2 H 1 7.051 0.020 . 1 . . . . 621 PHE HD2 . 16772 1 471 . 1 1 46 46 PHE HE1 H 1 6.901 0.020 . 1 . . . . 621 PHE HE1 . 16772 1 472 . 1 1 46 46 PHE HE2 H 1 6.901 0.020 . 1 . . . . 621 PHE HE2 . 16772 1 473 . 1 1 46 46 PHE HZ H 1 6.310 0.020 . 1 . . . . 621 PHE HZ . 16772 1 474 . 1 1 46 46 PHE C C 13 174.550 0.200 . 1 . . . . 621 PHE C . 16772 1 475 . 1 1 46 46 PHE CA C 13 57.101 0.200 . 1 . . . . 621 PHE CA . 16772 1 476 . 1 1 46 46 PHE CB C 13 41.959 0.200 . 1 . . . . 621 PHE CB . 16772 1 477 . 1 1 46 46 PHE CD1 C 13 131.271 0.200 . 1 . . . . 621 PHE CD1 . 16772 1 478 . 1 1 46 46 PHE CE1 C 13 131.271 0.200 . 1 . . . . 621 PHE CE1 . 16772 1 479 . 1 1 46 46 PHE CZ C 13 129.459 0.200 . 1 . . . . 621 PHE CZ . 16772 1 480 . 1 1 46 46 PHE N N 15 121.585 0.200 . 1 . . . . 621 PHE N . 16772 1 481 . 1 1 47 47 HIS H H 1 9.163 0.020 . 1 . . . . 622 HIS H . 16772 1 482 . 1 1 47 47 HIS HA H 1 5.563 0.002 . 1 . . . . 622 HIS HA . 16772 1 483 . 1 1 47 47 HIS HB2 H 1 2.918 0.003 . 2 . . . . 622 HIS HB2 . 16772 1 484 . 1 1 47 47 HIS HB3 H 1 2.780 0.002 . 2 . . . . 622 HIS HB3 . 16772 1 485 . 1 1 47 47 HIS HD2 H 1 6.677 0.020 . 1 . . . . 622 HIS HD2 . 16772 1 486 . 1 1 47 47 HIS HE1 H 1 7.640 0.020 . 1 . . . . 622 HIS HE1 . 16772 1 487 . 1 1 47 47 HIS C C 13 175.487 0.200 . 1 . . . . 622 HIS C . 16772 1 488 . 1 1 47 47 HIS CA C 13 55.133 0.200 . 1 . . . . 622 HIS CA . 16772 1 489 . 1 1 47 47 HIS CB C 13 34.281 0.200 . 1 . . . . 622 HIS CB . 16772 1 490 . 1 1 47 47 HIS CD2 C 13 118.070 0.200 . 1 . . . . 622 HIS CD2 . 16772 1 491 . 1 1 47 47 HIS CE1 C 13 138.360 0.200 . 1 . . . . 622 HIS CE1 . 16772 1 492 . 1 1 47 47 HIS N N 15 122.725 0.200 . 1 . . . . 622 HIS N . 16772 1 493 . 1 1 48 48 ILE H H 1 9.338 0.020 . 1 . . . . 623 ILE H . 16772 1 494 . 1 1 48 48 ILE HA H 1 5.250 0.020 . 1 . . . . 623 ILE HA . 16772 1 495 . 1 1 48 48 ILE HB H 1 1.604 0.020 . 1 . . . . 623 ILE HB . 16772 1 496 . 1 1 48 48 ILE HD11 H 1 0.003 0.020 . 1 . . . . 623 ILE QD1 . 16772 1 497 . 1 1 48 48 ILE HD12 H 1 0.003 0.020 . 1 . . . . 623 ILE QD1 . 16772 1 498 . 1 1 48 48 ILE HD13 H 1 0.003 0.020 . 1 . . . . 623 ILE QD1 . 16772 1 499 . 1 1 48 48 ILE HG12 H 1 1.427 0.020 . 2 . . . . 623 ILE HG12 . 16772 1 500 . 1 1 48 48 ILE HG13 H 1 0.828 0.020 . 2 . . . . 623 ILE HG13 . 16772 1 501 . 1 1 48 48 ILE HG21 H 1 0.665 0.020 . 1 . . . . 623 ILE QG2 . 16772 1 502 . 1 1 48 48 ILE HG22 H 1 0.665 0.020 . 1 . . . . 623 ILE QG2 . 16772 1 503 . 1 1 48 48 ILE HG23 H 1 0.665 0.020 . 1 . . . . 623 ILE QG2 . 16772 1 504 . 1 1 48 48 ILE C C 13 173.694 0.200 . 1 . . . . 623 ILE C . 16772 1 505 . 1 1 48 48 ILE CA C 13 59.850 0.200 . 1 . . . . 623 ILE CA . 16772 1 506 . 1 1 48 48 ILE CB C 13 43.873 0.200 . 1 . . . . 623 ILE CB . 16772 1 507 . 1 1 48 48 ILE CD1 C 13 13.639 0.200 . 1 . . . . 623 ILE CD1 . 16772 1 508 . 1 1 48 48 ILE CG1 C 13 27.924 0.200 . 1 . . . . 623 ILE CG1 . 16772 1 509 . 1 1 48 48 ILE CG2 C 13 17.441 0.200 . 1 . . . . 623 ILE CG2 . 16772 1 510 . 1 1 48 48 ILE N N 15 121.649 0.200 . 1 . . . . 623 ILE N . 16772 1 511 . 1 1 49 49 ASN H H 1 8.771 0.020 . 1 . . . . 624 ASN H . 16772 1 512 . 1 1 49 49 ASN HA H 1 5.679 0.020 . 1 . . . . 624 ASN HA . 16772 1 513 . 1 1 49 49 ASN HB2 H 1 3.500 0.020 . 2 . . . . 624 ASN HB2 . 16772 1 514 . 1 1 49 49 ASN HB3 H 1 2.529 0.020 . 2 . . . . 624 ASN HB3 . 16772 1 515 . 1 1 49 49 ASN HD21 H 1 7.402 0.020 . 2 . . . . 624 ASN HD21 . 16772 1 516 . 1 1 49 49 ASN HD22 H 1 7.174 0.020 . 2 . . . . 624 ASN HD22 . 16772 1 517 . 1 1 49 49 ASN C C 13 174.745 0.200 . 1 . . . . 624 ASN C . 16772 1 518 . 1 1 49 49 ASN CA C 13 50.204 0.200 . 1 . . . . 624 ASN CA . 16772 1 519 . 1 1 49 49 ASN CB C 13 41.635 0.200 . 1 . . . . 624 ASN CB . 16772 1 520 . 1 1 49 49 ASN N N 15 121.136 0.200 . 1 . . . . 624 ASN N . 16772 1 521 . 1 1 49 49 ASN ND2 N 15 110.024 0.200 . 1 . . . . 624 ASN ND2 . 16772 1 522 . 1 1 50 50 VAL H H 1 8.576 0.020 . 1 . . . . 625 VAL H . 16772 1 523 . 1 1 50 50 VAL HA H 1 3.872 0.020 . 1 . . . . 625 VAL HA . 16772 1 524 . 1 1 50 50 VAL HB H 1 1.581 0.020 . 1 . . . . 625 VAL HB . 16772 1 525 . 1 1 50 50 VAL HG11 H 1 0.665 0.020 . 2 . . . . 625 VAL QG1 . 16772 1 526 . 1 1 50 50 VAL HG12 H 1 0.665 0.020 . 2 . . . . 625 VAL QG1 . 16772 1 527 . 1 1 50 50 VAL HG13 H 1 0.665 0.020 . 2 . . . . 625 VAL QG1 . 16772 1 528 . 1 1 50 50 VAL HG21 H 1 0.660 0.020 . 2 . . . . 625 VAL QG2 . 16772 1 529 . 1 1 50 50 VAL HG22 H 1 0.660 0.020 . 2 . . . . 625 VAL QG2 . 16772 1 530 . 1 1 50 50 VAL HG23 H 1 0.660 0.020 . 2 . . . . 625 VAL QG2 . 16772 1 531 . 1 1 50 50 VAL C C 13 174.535 0.200 . 1 . . . . 625 VAL C . 16772 1 532 . 1 1 50 50 VAL CA C 13 63.226 0.200 . 1 . . . . 625 VAL CA . 16772 1 533 . 1 1 50 50 VAL CB C 13 34.163 0.068 . 1 . . . . 625 VAL CB . 16772 1 534 . 1 1 50 50 VAL CG1 C 13 24.072 0.200 . 1 . . . . 625 VAL CG1 . 16772 1 535 . 1 1 50 50 VAL CG2 C 13 21.483 0.200 . 1 . . . . 625 VAL CG2 . 16772 1 536 . 1 1 50 50 VAL N N 15 122.736 0.200 . 1 . . . . 625 VAL N . 16772 1 537 . 1 1 51 51 CYS H H 1 8.008 0.020 . 1 . . . . 626 CYS H . 16772 1 538 . 1 1 51 51 CYS HA H 1 4.608 0.020 . 1 . . . . 626 CYS HA . 16772 1 539 . 1 1 51 51 CYS HB2 H 1 4.128 0.020 . 2 . . . . 626 CYS HB2 . 16772 1 540 . 1 1 51 51 CYS HB3 H 1 3.131 0.020 . 2 . . . . 626 CYS HB3 . 16772 1 541 . 1 1 51 51 CYS C C 13 172.178 0.200 . 1 . . . . 626 CYS C . 16772 1 542 . 1 1 51 51 CYS CA C 13 56.582 0.200 . 1 . . . . 626 CYS CA . 16772 1 543 . 1 1 51 51 CYS CB C 13 42.191 0.200 . 1 . . . . 626 CYS CB . 16772 1 544 . 1 1 51 51 CYS N N 15 118.053 0.200 . 1 . . . . 626 CYS N . 16772 1 545 . 1 1 52 52 GLY H H 1 7.304 0.020 . 1 . . . . 627 GLY H . 16772 1 546 . 1 1 52 52 GLY HA2 H 1 3.763 0.020 . 2 . . . . 627 GLY HA2 . 16772 1 547 . 1 1 52 52 GLY HA3 H 1 4.137 0.020 . 2 . . . . 627 GLY HA3 . 16772 1 548 . 1 1 52 52 GLY CA C 13 45.103 0.200 . 1 . . . . 627 GLY CA . 16772 1 549 . 1 1 52 52 GLY N N 15 104.276 0.200 . 1 . . . . 627 GLY N . 16772 1 550 . 1 1 53 53 PRO HA H 1 4.859 0.020 . 1 . . . . 628 PRO HA . 16772 1 551 . 1 1 53 53 PRO HB2 H 1 2.177 0.020 . 2 . . . . 628 PRO HB2 . 16772 1 552 . 1 1 53 53 PRO HB3 H 1 1.991 0.003 . 2 . . . . 628 PRO HB3 . 16772 1 553 . 1 1 53 53 PRO HD2 H 1 3.528 0.020 . 2 . . . . 628 PRO HD2 . 16772 1 554 . 1 1 53 53 PRO HD3 H 1 3.465 0.020 . 2 . . . . 628 PRO HD3 . 16772 1 555 . 1 1 53 53 PRO HG2 H 1 2.059 0.020 . 2 . . . . 628 PRO HG2 . 16772 1 556 . 1 1 53 53 PRO HG3 H 1 1.915 0.020 . 2 . . . . 628 PRO HG3 . 16772 1 557 . 1 1 53 53 PRO C C 13 179.068 0.200 . 1 . . . . 628 PRO C . 16772 1 558 . 1 1 53 53 PRO CA C 13 62.445 0.200 . 1 . . . . 628 PRO CA . 16772 1 559 . 1 1 53 53 PRO CB C 13 33.370 0.200 . 1 . . . . 628 PRO CB . 16772 1 560 . 1 1 53 53 PRO CD C 13 49.309 0.200 . 1 . . . . 628 PRO CD . 16772 1 561 . 1 1 53 53 PRO CG C 13 26.660 0.200 . 1 . . . . 628 PRO CG . 16772 1 562 . 1 1 54 54 VAL H H 1 8.839 0.020 . 1 . . . . 629 VAL H . 16772 1 563 . 1 1 54 54 VAL HA H 1 4.539 0.020 . 1 . . . . 629 VAL HA . 16772 1 564 . 1 1 54 54 VAL HB H 1 2.114 0.020 . 1 . . . . 629 VAL HB . 16772 1 565 . 1 1 54 54 VAL HG11 H 1 0.890 0.020 . 2 . . . . 629 VAL QG1 . 16772 1 566 . 1 1 54 54 VAL HG12 H 1 0.890 0.020 . 2 . . . . 629 VAL QG1 . 16772 1 567 . 1 1 54 54 VAL HG13 H 1 0.890 0.020 . 2 . . . . 629 VAL QG1 . 16772 1 568 . 1 1 54 54 VAL HG21 H 1 0.911 0.020 . 2 . . . . 629 VAL QG2 . 16772 1 569 . 1 1 54 54 VAL HG22 H 1 0.911 0.020 . 2 . . . . 629 VAL QG2 . 16772 1 570 . 1 1 54 54 VAL HG23 H 1 0.911 0.020 . 2 . . . . 629 VAL QG2 . 16772 1 571 . 1 1 54 54 VAL C C 13 176.171 0.200 . 1 . . . . 629 VAL C . 16772 1 572 . 1 1 54 54 VAL CA C 13 61.090 0.200 . 1 . . . . 629 VAL CA . 16772 1 573 . 1 1 54 54 VAL CB C 13 33.687 0.200 . 1 . . . . 629 VAL CB . 16772 1 574 . 1 1 54 54 VAL CG1 C 13 19.188 0.200 . 1 . . . . 629 VAL CG1 . 16772 1 575 . 1 1 54 54 VAL CG2 C 13 23.093 0.200 . 1 . . . . 629 VAL CG2 . 16772 1 576 . 1 1 54 54 VAL N N 15 115.194 0.200 . 1 . . . . 629 VAL N . 16772 1 577 . 1 1 55 55 SER H H 1 8.589 0.020 . 1 . . . . 630 SER H . 16772 1 578 . 1 1 55 55 SER HA H 1 4.715 0.020 . 1 . . . . 630 SER HA . 16772 1 579 . 1 1 55 55 SER HB2 H 1 4.002 0.020 . 2 . . . . 630 SER HB2 . 16772 1 580 . 1 1 55 55 SER HB3 H 1 3.852 0.020 . 2 . . . . 630 SER HB3 . 16772 1 581 . 1 1 55 55 SER C C 13 173.845 0.200 . 1 . . . . 630 SER C . 16772 1 582 . 1 1 55 55 SER CA C 13 57.030 0.200 . 1 . . . . 630 SER CA . 16772 1 583 . 1 1 55 55 SER CB C 13 63.737 0.200 . 1 . . . . 630 SER CB . 16772 1 584 . 1 1 55 55 SER N N 15 118.599 0.200 . 1 . . . . 630 SER N . 16772 1 585 . 1 1 56 56 VAL H H 1 7.731 0.020 . 1 . . . . 631 VAL H . 16772 1 586 . 1 1 56 56 VAL HA H 1 4.181 0.020 . 1 . . . . 631 VAL HA . 16772 1 587 . 1 1 56 56 VAL HB H 1 1.605 0.020 . 1 . . . . 631 VAL HB . 16772 1 588 . 1 1 56 56 VAL HG11 H 1 0.467 0.020 . 2 . . . . 631 VAL QG1 . 16772 1 589 . 1 1 56 56 VAL HG12 H 1 0.467 0.020 . 2 . . . . 631 VAL QG1 . 16772 1 590 . 1 1 56 56 VAL HG13 H 1 0.467 0.020 . 2 . . . . 631 VAL QG1 . 16772 1 591 . 1 1 56 56 VAL HG21 H 1 0.562 0.001 . 2 . . . . 631 VAL QG2 . 16772 1 592 . 1 1 56 56 VAL HG22 H 1 0.562 0.001 . 2 . . . . 631 VAL QG2 . 16772 1 593 . 1 1 56 56 VAL HG23 H 1 0.562 0.001 . 2 . . . . 631 VAL QG2 . 16772 1 594 . 1 1 56 56 VAL C C 13 176.396 0.200 . 1 . . . . 631 VAL C . 16772 1 595 . 1 1 56 56 VAL CA C 13 61.218 0.200 . 1 . . . . 631 VAL CA . 16772 1 596 . 1 1 56 56 VAL CB C 13 35.506 0.200 . 1 . . . . 631 VAL CB . 16772 1 597 . 1 1 56 56 VAL CG1 C 13 20.836 0.200 . 1 . . . . 631 VAL CG1 . 16772 1 598 . 1 1 56 56 VAL CG2 C 13 21.038 0.200 . 1 . . . . 631 VAL CG2 . 16772 1 599 . 1 1 56 56 VAL N N 15 121.682 0.200 . 1 . . . . 631 VAL N . 16772 1 600 . 1 1 57 57 GLY H H 1 8.606 0.020 . 1 . . . . 632 GLY H . 16772 1 601 . 1 1 57 57 GLY HA2 H 1 3.824 0.020 . 2 . . . . 632 GLY HA2 . 16772 1 602 . 1 1 57 57 GLY HA3 H 1 3.824 0.020 . 2 . . . . 632 GLY HA3 . 16772 1 603 . 1 1 57 57 GLY C C 13 174.594 0.032 . 1 . . . . 632 GLY C . 16772 1 604 . 1 1 57 57 GLY CA C 13 47.583 0.200 . 1 . . . . 632 GLY CA . 16772 1 605 . 1 1 57 57 GLY N N 15 114.038 0.200 . 1 . . . . 632 GLY N . 16772 1 606 . 1 1 58 58 ALA H H 1 7.548 0.020 . 1 . . . . 633 ALA H . 16772 1 607 . 1 1 58 58 ALA HA H 1 4.321 0.020 . 1 . . . . 633 ALA HA . 16772 1 608 . 1 1 58 58 ALA HB1 H 1 1.350 0.020 . 1 . . . . 633 ALA QB . 16772 1 609 . 1 1 58 58 ALA HB2 H 1 1.350 0.020 . 1 . . . . 633 ALA QB . 16772 1 610 . 1 1 58 58 ALA HB3 H 1 1.350 0.020 . 1 . . . . 633 ALA QB . 16772 1 611 . 1 1 58 58 ALA C C 13 178.017 0.200 . 1 . . . . 633 ALA C . 16772 1 612 . 1 1 58 58 ALA CA C 13 52.545 0.200 . 1 . . . . 633 ALA CA . 16772 1 613 . 1 1 58 58 ALA CB C 13 20.012 0.200 . 1 . . . . 633 ALA CB . 16772 1 614 . 1 1 58 58 ALA N N 15 120.911 0.200 . 1 . . . . 633 ALA N . 16772 1 615 . 1 1 59 59 CYS H H 1 7.830 0.020 . 1 . . . . 634 CYS H . 16772 1 616 . 1 1 59 59 CYS HA H 1 4.304 0.020 . 1 . . . . 634 CYS HA . 16772 1 617 . 1 1 59 59 CYS HB2 H 1 3.045 0.003 . 2 . . . . 634 CYS HB2 . 16772 1 618 . 1 1 59 59 CYS CA C 13 55.457 0.200 . 1 . . . . 634 CYS CA . 16772 1 619 . 1 1 59 59 CYS CB C 13 41.544 0.200 . 1 . . . . 634 CYS CB . 16772 1 620 . 1 1 59 59 CYS N N 15 116.447 0.200 . 1 . . . . 634 CYS N . 16772 1 621 . 1 1 60 60 PRO HA H 1 4.767 0.004 . 1 . . . . 635 PRO HA . 16772 1 622 . 1 1 60 60 PRO HB2 H 1 2.610 0.020 . 2 . . . . 635 PRO HB2 . 16772 1 623 . 1 1 60 60 PRO HB3 H 1 1.974 0.020 . 2 . . . . 635 PRO HB3 . 16772 1 624 . 1 1 60 60 PRO HD2 H 1 3.443 0.020 . 2 . . . . 635 PRO HD2 . 16772 1 625 . 1 1 60 60 PRO HD3 H 1 3.972 0.020 . 2 . . . . 635 PRO HD3 . 16772 1 626 . 1 1 60 60 PRO HG2 H 1 2.145 0.020 . 2 . . . . 635 PRO HG2 . 16772 1 627 . 1 1 60 60 PRO HG3 H 1 2.074 0.002 . 2 . . . . 635 PRO HG3 . 16772 1 628 . 1 1 60 60 PRO CA C 13 61.928 0.200 . 1 . . . . 635 PRO CA . 16772 1 629 . 1 1 60 60 PRO CB C 13 31.514 0.200 . 1 . . . . 635 PRO CB . 16772 1 630 . 1 1 60 60 PRO CD C 13 50.280 0.200 . 1 . . . . 635 PRO CD . 16772 1 631 . 1 1 60 60 PRO CG C 13 28.602 0.200 . 1 . . . . 635 PRO CG . 16772 1 632 . 1 1 61 61 PRO HA H 1 4.557 0.003 . 1 . . . . 636 PRO HA . 16772 1 633 . 1 1 61 61 PRO HB2 H 1 2.397 0.001 . 2 . . . . 636 PRO HB2 . 16772 1 634 . 1 1 61 61 PRO HB3 H 1 2.033 0.002 . 2 . . . . 636 PRO HB3 . 16772 1 635 . 1 1 61 61 PRO HD2 H 1 3.848 0.020 . 2 . . . . 636 PRO HD2 . 16772 1 636 . 1 1 61 61 PRO HD3 H 1 3.759 0.020 . 2 . . . . 636 PRO HD3 . 16772 1 637 . 1 1 61 61 PRO HG2 H 1 2.093 0.005 . 2 . . . . 636 PRO HG2 . 16772 1 638 . 1 1 61 61 PRO C C 13 176.216 0.200 . 1 . . . . 636 PRO C . 16772 1 639 . 1 1 61 61 PRO CA C 13 64.323 0.200 . 1 . . . . 636 PRO CA . 16772 1 640 . 1 1 61 61 PRO CB C 13 32.392 0.200 . 1 . . . . 636 PRO CB . 16772 1 641 . 1 1 61 61 PRO CD C 13 51.251 0.200 . 1 . . . . 636 PRO CD . 16772 1 642 . 1 1 61 61 PRO CG C 13 27.512 0.200 . 1 . . . . 636 PRO CG . 16772 1 643 . 1 1 62 62 ASP H H 1 8.345 0.020 . 1 . . . . 637 ASP H . 16772 1 644 . 1 1 62 62 ASP HA H 1 4.504 0.020 . 1 . . . . 637 ASP HA . 16772 1 645 . 1 1 62 62 ASP HB2 H 1 2.902 0.020 . 2 . . . . 637 ASP HB2 . 16772 1 646 . 1 1 62 62 ASP HB3 H 1 2.774 0.020 . 2 . . . . 637 ASP HB3 . 16772 1 647 . 1 1 62 62 ASP C C 13 175.961 0.200 . 1 . . . . 637 ASP C . 16772 1 648 . 1 1 62 62 ASP CA C 13 53.711 0.200 . 1 . . . . 637 ASP CA . 16772 1 649 . 1 1 62 62 ASP CB C 13 40.383 0.200 . 1 . . . . 637 ASP CB . 16772 1 650 . 1 1 62 62 ASP N N 15 115.676 0.200 . 1 . . . . 637 ASP N . 16772 1 651 . 1 1 63 63 SER H H 1 7.986 0.020 . 1 . . . . 638 SER H . 16772 1 652 . 1 1 63 63 SER HA H 1 4.583 0.020 . 1 . . . . 638 SER HA . 16772 1 653 . 1 1 63 63 SER HB2 H 1 3.786 0.020 . 2 . . . . 638 SER HB2 . 16772 1 654 . 1 1 63 63 SER C C 13 174.940 0.200 . 1 . . . . 638 SER C . 16772 1 655 . 1 1 63 63 SER CA C 13 58.869 0.200 . 1 . . . . 638 SER CA . 16772 1 656 . 1 1 63 63 SER CB C 13 65.482 0.200 . 1 . . . . 638 SER CB . 16772 1 657 . 1 1 63 63 SER N N 15 116.318 0.200 . 1 . . . . 638 SER N . 16772 1 658 . 1 1 64 64 GLY H H 1 9.507 0.020 . 1 . . . . 639 GLY H . 16772 1 659 . 1 1 64 64 GLY HA2 H 1 4.208 0.020 . 2 . . . . 639 GLY HA2 . 16772 1 660 . 1 1 64 64 GLY HA3 H 1 2.528 0.020 . 2 . . . . 639 GLY HA3 . 16772 1 661 . 1 1 64 64 GLY C C 13 171.608 0.200 . 1 . . . . 639 GLY C . 16772 1 662 . 1 1 64 64 GLY CA C 13 46.076 0.200 . 1 . . . . 639 GLY CA . 16772 1 663 . 1 1 64 64 GLY N N 15 114.552 0.200 . 1 . . . . 639 GLY N . 16772 1 664 . 1 1 65 65 ALA H H 1 7.517 0.020 . 1 . . . . 640 ALA H . 16772 1 665 . 1 1 65 65 ALA HA H 1 5.435 0.020 . 1 . . . . 640 ALA HA . 16772 1 666 . 1 1 65 65 ALA HB1 H 1 1.525 0.020 . 1 . . . . 640 ALA QB . 16772 1 667 . 1 1 65 65 ALA HB2 H 1 1.525 0.020 . 1 . . . . 640 ALA QB . 16772 1 668 . 1 1 65 65 ALA HB3 H 1 1.525 0.020 . 1 . . . . 640 ALA QB . 16772 1 669 . 1 1 65 65 ALA C C 13 174.925 0.200 . 1 . . . . 640 ALA C . 16772 1 670 . 1 1 65 65 ALA CA C 13 51.566 0.200 . 1 . . . . 640 ALA CA . 16772 1 671 . 1 1 65 65 ALA CB C 13 23.388 0.200 . 1 . . . . 640 ALA CB . 16772 1 672 . 1 1 65 65 ALA N N 15 117.956 0.200 . 1 . . . . 640 ALA N . 16772 1 673 . 1 1 66 66 CYS H H 1 9.463 0.020 . 1 . . . . 641 CYS H . 16772 1 674 . 1 1 66 66 CYS HA H 1 5.391 0.020 . 1 . . . . 641 CYS HA . 16772 1 675 . 1 1 66 66 CYS HB2 H 1 3.481 0.020 . 2 . . . . 641 CYS HB2 . 16772 1 676 . 1 1 66 66 CYS HB3 H 1 3.062 0.020 . 2 . . . . 641 CYS HB3 . 16772 1 677 . 1 1 66 66 CYS C C 13 171.773 0.200 . 1 . . . . 641 CYS C . 16772 1 678 . 1 1 66 66 CYS CA C 13 54.272 0.200 . 1 . . . . 641 CYS CA . 16772 1 679 . 1 1 66 66 CYS CB C 13 47.024 0.200 . 1 . . . . 641 CYS CB . 16772 1 680 . 1 1 66 66 CYS N N 15 122.838 0.200 . 1 . . . . 641 CYS N . 16772 1 681 . 1 1 67 67 GLN H H 1 8.963 0.020 . 1 . . . . 642 GLN H . 16772 1 682 . 1 1 67 67 GLN HA H 1 5.023 0.003 . 1 . . . . 642 GLN HA . 16772 1 683 . 1 1 67 67 GLN HB2 H 1 1.811 0.020 . 2 . . . . 642 GLN HB2 . 16772 1 684 . 1 1 67 67 GLN HB3 H 1 1.184 0.020 . 2 . . . . 642 GLN HB3 . 16772 1 685 . 1 1 67 67 GLN HE21 H 1 6.421 0.020 . 2 . . . . 642 GLN HE21 . 16772 1 686 . 1 1 67 67 GLN HE22 H 1 3.719 0.020 . 2 . . . . 642 GLN HE22 . 16772 1 687 . 1 1 67 67 GLN HG2 H 1 2.407 0.020 . 2 . . . . 642 GLN HG2 . 16772 1 688 . 1 1 67 67 GLN C C 13 173.664 0.200 . 1 . . . . 642 GLN C . 16772 1 689 . 1 1 67 67 GLN CA C 13 54.197 0.200 . 1 . . . . 642 GLN CA . 16772 1 690 . 1 1 67 67 GLN CB C 13 33.535 0.200 . 1 . . . . 642 GLN CB . 16772 1 691 . 1 1 67 67 GLN CG C 13 33.455 0.200 . 1 . . . . 642 GLN CG . 16772 1 692 . 1 1 67 67 GLN N N 15 129.967 0.200 . 1 . . . . 642 GLN N . 16772 1 693 . 1 1 67 67 GLN NE2 N 15 106.283 0.200 . 1 . . . . 642 GLN NE2 . 16772 1 694 . 1 1 68 68 VAL H H 1 9.366 0.020 . 1 . . . . 643 VAL H . 16772 1 695 . 1 1 68 68 VAL HA H 1 4.968 0.020 . 1 . . . . 643 VAL HA . 16772 1 696 . 1 1 68 68 VAL HB H 1 2.148 0.002 . 1 . . . . 643 VAL HB . 16772 1 697 . 1 1 68 68 VAL HG11 H 1 0.908 0.020 . 2 . . . . 643 VAL QG1 . 16772 1 698 . 1 1 68 68 VAL HG12 H 1 0.908 0.020 . 2 . . . . 643 VAL QG1 . 16772 1 699 . 1 1 68 68 VAL HG13 H 1 0.908 0.020 . 2 . . . . 643 VAL QG1 . 16772 1 700 . 1 1 68 68 VAL HG21 H 1 0.859 0.020 . 2 . . . . 643 VAL QG2 . 16772 1 701 . 1 1 68 68 VAL HG22 H 1 0.859 0.020 . 2 . . . . 643 VAL QG2 . 16772 1 702 . 1 1 68 68 VAL HG23 H 1 0.859 0.020 . 2 . . . . 643 VAL QG2 . 16772 1 703 . 1 1 68 68 VAL C C 13 177.102 0.200 . 1 . . . . 643 VAL C . 16772 1 704 . 1 1 68 68 VAL CA C 13 61.090 0.200 . 1 . . . . 643 VAL CA . 16772 1 705 . 1 1 68 68 VAL CB C 13 35.881 0.200 . 1 . . . . 643 VAL CB . 16772 1 706 . 1 1 68 68 VAL CG1 C 13 21.807 0.200 . 1 . . . . 643 VAL CG1 . 16772 1 707 . 1 1 68 68 VAL CG2 C 13 20.836 0.200 . 1 . . . . 643 VAL CG2 . 16772 1 708 . 1 1 68 68 VAL N N 15 126.836 0.200 . 1 . . . . 643 VAL N . 16772 1 709 . 1 1 69 69 SER H H 1 9.390 0.020 . 1 . . . . 644 SER H . 16772 1 710 . 1 1 69 69 SER HA H 1 4.934 0.020 . 1 . . . . 644 SER HA . 16772 1 711 . 1 1 69 69 SER HB2 H 1 4.400 0.020 . 2 . . . . 644 SER HB2 . 16772 1 712 . 1 1 69 69 SER C C 13 176.381 0.200 . 1 . . . . 644 SER C . 16772 1 713 . 1 1 69 69 SER CA C 13 58.369 0.200 . 1 . . . . 644 SER CA . 16772 1 714 . 1 1 69 69 SER CB C 13 64.193 0.200 . 1 . . . . 644 SER CB . 16772 1 715 . 1 1 69 69 SER N N 15 121.521 0.200 . 1 . . . . 644 SER N . 16772 1 716 . 1 1 70 70 ARG H H 1 8.350 0.020 . 1 . . . . 645 ARG H . 16772 1 717 . 1 1 70 70 ARG HA H 1 4.140 0.020 . 1 . . . . 645 ARG HA . 16772 1 718 . 1 1 70 70 ARG HB2 H 1 1.554 0.020 . 2 . . . . 645 ARG HB2 . 16772 1 719 . 1 1 70 70 ARG HB3 H 1 2.065 0.020 . 2 . . . . 645 ARG HB3 . 16772 1 720 . 1 1 70 70 ARG HD2 H 1 3.241 0.020 . 2 . . . . 645 ARG HD2 . 16772 1 721 . 1 1 70 70 ARG HD3 H 1 3.066 0.020 . 2 . . . . 645 ARG HD3 . 16772 1 722 . 1 1 70 70 ARG HG2 H 1 1.668 0.020 . 2 . . . . 645 ARG HG2 . 16772 1 723 . 1 1 70 70 ARG C C 13 177.687 0.200 . 1 . . . . 645 ARG C . 16772 1 724 . 1 1 70 70 ARG CA C 13 59.380 0.200 . 1 . . . . 645 ARG CA . 16772 1 725 . 1 1 70 70 ARG CB C 13 30.986 0.200 . 1 . . . . 645 ARG CB . 16772 1 726 . 1 1 70 70 ARG CD C 13 43.955 0.200 . 1 . . . . 645 ARG CD . 16772 1 727 . 1 1 70 70 ARG CG C 13 28.540 0.200 . 1 . . . . 645 ARG CG . 16772 1 728 . 1 1 70 70 ARG N N 15 127.045 0.200 . 1 . . . . 645 ARG N . 16772 1 729 . 1 1 71 71 SER H H 1 8.378 0.020 . 1 . . . . 646 SER H . 16772 1 730 . 1 1 71 71 SER HA H 1 4.387 0.020 . 1 . . . . 646 SER HA . 16772 1 731 . 1 1 71 71 SER HB2 H 1 3.950 0.020 . 2 . . . . 646 SER HB2 . 16772 1 732 . 1 1 71 71 SER HB3 H 1 3.950 0.020 . 2 . . . . 646 SER HB3 . 16772 1 733 . 1 1 71 71 SER C C 13 175.931 0.200 . 1 . . . . 646 SER C . 16772 1 734 . 1 1 71 71 SER CA C 13 60.426 0.200 . 1 . . . . 646 SER CA . 16772 1 735 . 1 1 71 71 SER CB C 13 63.625 0.200 . 1 . . . . 646 SER CB . 16772 1 736 . 1 1 71 71 SER N N 15 112.722 0.200 . 1 . . . . 646 SER N . 16772 1 737 . 1 1 72 72 ASP H H 1 7.670 0.020 . 1 . . . . 647 ASP H . 16772 1 738 . 1 1 72 72 ASP HA H 1 4.761 0.020 . 1 . . . . 647 ASP HA . 16772 1 739 . 1 1 72 72 ASP HB2 H 1 2.982 0.020 . 2 . . . . 647 ASP HB2 . 16772 1 740 . 1 1 72 72 ASP HB3 H 1 2.645 0.020 . 2 . . . . 647 ASP HB3 . 16772 1 741 . 1 1 72 72 ASP C C 13 176.351 0.200 . 1 . . . . 647 ASP C . 16772 1 742 . 1 1 72 72 ASP CA C 13 53.633 0.200 . 1 . . . . 647 ASP CA . 16772 1 743 . 1 1 72 72 ASP CB C 13 42.184 0.200 . 1 . . . . 647 ASP CB . 16772 1 744 . 1 1 72 72 ASP N N 15 118.021 0.200 . 1 . . . . 647 ASP N . 16772 1 745 . 1 1 73 73 ARG H H 1 7.857 0.020 . 1 . . . . 648 ARG H . 16772 1 746 . 1 1 73 73 ARG HA H 1 4.128 0.020 . 1 . . . . 648 ARG HA . 16772 1 747 . 1 1 73 73 ARG HB2 H 1 1.584 0.020 . 2 . . . . 648 ARG HB2 . 16772 1 748 . 1 1 73 73 ARG HB3 H 1 1.692 0.020 . 2 . . . . 648 ARG HB3 . 16772 1 749 . 1 1 73 73 ARG HD2 H 1 3.220 0.020 . 2 . . . . 648 ARG HD2 . 16772 1 750 . 1 1 73 73 ARG HG2 H 1 2.075 0.020 . 2 . . . . 648 ARG HG2 . 16772 1 751 . 1 1 73 73 ARG HG3 H 1 2.026 0.020 . 2 . . . . 648 ARG HG3 . 16772 1 752 . 1 1 73 73 ARG C C 13 175.826 0.200 . 1 . . . . 648 ARG C . 16772 1 753 . 1 1 73 73 ARG CA C 13 57.061 0.200 . 1 . . . . 648 ARG CA . 16772 1 754 . 1 1 73 73 ARG CB C 13 26.664 0.200 . 1 . . . . 648 ARG CB . 16772 1 755 . 1 1 73 73 ARG CD C 13 43.031 0.200 . 1 . . . . 648 ARG CD . 16772 1 756 . 1 1 73 73 ARG CG C 13 26.484 0.200 . 1 . . . . 648 ARG CG . 16772 1 757 . 1 1 73 73 ARG N N 15 114.199 0.200 . 1 . . . . 648 ARG N . 16772 1 758 . 1 1 74 74 LYS H H 1 7.647 0.020 . 1 . . . . 649 LYS H . 16772 1 759 . 1 1 74 74 LYS HA H 1 4.092 0.020 . 1 . . . . 649 LYS HA . 16772 1 760 . 1 1 74 74 LYS HB2 H 1 1.599 0.020 . 2 . . . . 649 LYS HB2 . 16772 1 761 . 1 1 74 74 LYS HB3 H 1 1.281 0.020 . 2 . . . . 649 LYS HB3 . 16772 1 762 . 1 1 74 74 LYS HD2 H 1 1.712 0.020 . 2 . . . . 649 LYS HD2 . 16772 1 763 . 1 1 74 74 LYS HE2 H 1 3.038 0.020 . 2 . . . . 649 LYS HE2 . 16772 1 764 . 1 1 74 74 LYS HE3 H 1 2.939 0.001 . 2 . . . . 649 LYS HE3 . 16772 1 765 . 1 1 74 74 LYS HG2 H 1 1.170 0.020 . 2 . . . . 649 LYS HG2 . 16772 1 766 . 1 1 74 74 LYS HG3 H 1 1.025 0.020 . 2 . . . . 649 LYS HG3 . 16772 1 767 . 1 1 74 74 LYS C C 13 174.775 0.200 . 1 . . . . 649 LYS C . 16772 1 768 . 1 1 74 74 LYS CA C 13 57.191 0.200 . 1 . . . . 649 LYS CA . 16772 1 769 . 1 1 74 74 LYS CB C 13 33.968 0.200 . 1 . . . . 649 LYS CB . 16772 1 770 . 1 1 74 74 LYS CD C 13 29.362 0.200 . 1 . . . . 649 LYS CD . 16772 1 771 . 1 1 74 74 LYS CE C 13 42.799 0.039 . 1 . . . . 649 LYS CE . 16772 1 772 . 1 1 74 74 LYS CG C 13 25.663 0.200 . 1 . . . . 649 LYS CG . 16772 1 773 . 1 1 74 74 LYS N N 15 120.782 0.200 . 1 . . . . 649 LYS N . 16772 1 774 . 1 1 75 75 SER H H 1 7.613 0.020 . 1 . . . . 650 SER H . 16772 1 775 . 1 1 75 75 SER HA H 1 5.680 0.002 . 1 . . . . 650 SER HA . 16772 1 776 . 1 1 75 75 SER HB2 H 1 3.781 0.001 . 2 . . . . 650 SER HB2 . 16772 1 777 . 1 1 75 75 SER HB3 H 1 3.702 0.002 . 2 . . . . 650 SER HB3 . 16772 1 778 . 1 1 75 75 SER C C 13 173.424 0.200 . 1 . . . . 650 SER C . 16772 1 779 . 1 1 75 75 SER CA C 13 56.162 0.200 . 1 . . . . 650 SER CA . 16772 1 780 . 1 1 75 75 SER CB C 13 68.425 0.200 . 1 . . . . 650 SER CB . 16772 1 781 . 1 1 75 75 SER N N 15 114.135 0.200 . 1 . . . . 650 SER N . 16772 1 782 . 1 1 76 76 TRP H H 1 9.200 0.020 . 1 . . . . 651 TRP H . 16772 1 783 . 1 1 76 76 TRP HA H 1 4.720 0.020 . 1 . . . . 651 TRP HA . 16772 1 784 . 1 1 76 76 TRP HB2 H 1 3.105 0.020 . 2 . . . . 651 TRP HB2 . 16772 1 785 . 1 1 76 76 TRP HB3 H 1 2.736 0.020 . 2 . . . . 651 TRP HB3 . 16772 1 786 . 1 1 76 76 TRP HD1 H 1 6.997 0.020 . 1 . . . . 651 TRP HD1 . 16772 1 787 . 1 1 76 76 TRP HE1 H 1 9.976 0.020 . 1 . . . . 651 TRP HE1 . 16772 1 788 . 1 1 76 76 TRP HE3 H 1 7.425 0.020 . 1 . . . . 651 TRP HE3 . 16772 1 789 . 1 1 76 76 TRP HH2 H 1 7.364 0.020 . 1 . . . . 651 TRP HH2 . 16772 1 790 . 1 1 76 76 TRP HZ2 H 1 7.509 0.020 . 1 . . . . 651 TRP HZ2 . 16772 1 791 . 1 1 76 76 TRP HZ3 H 1 6.839 0.020 . 1 . . . . 651 TRP HZ3 . 16772 1 792 . 1 1 76 76 TRP C C 13 174.430 0.200 . 1 . . . . 651 TRP C . 16772 1 793 . 1 1 76 76 TRP CA C 13 58.693 0.200 . 1 . . . . 651 TRP CA . 16772 1 794 . 1 1 76 76 TRP CB C 13 33.405 0.200 . 1 . . . . 651 TRP CB . 16772 1 795 . 1 1 76 76 TRP CD1 C 13 126.094 0.200 . 1 . . . . 651 TRP CD1 . 16772 1 796 . 1 1 76 76 TRP CE3 C 13 121.435 0.200 . 1 . . . . 651 TRP CE3 . 16772 1 797 . 1 1 76 76 TRP CH2 C 13 124.282 0.200 . 1 . . . . 651 TRP CH2 . 16772 1 798 . 1 1 76 76 TRP CZ2 C 13 114.446 0.200 . 1 . . . . 651 TRP CZ2 . 16772 1 799 . 1 1 76 76 TRP CZ3 C 13 121.435 0.200 . 1 . . . . 651 TRP CZ3 . 16772 1 800 . 1 1 76 76 TRP N N 15 118.727 0.200 . 1 . . . . 651 TRP N . 16772 1 801 . 1 1 76 76 TRP NE1 N 15 129.148 0.200 . 1 . . . . 651 TRP NE1 . 16772 1 802 . 1 1 77 77 ASN H H 1 8.777 0.020 . 1 . . . . 652 ASN H . 16772 1 803 . 1 1 77 77 ASN HA H 1 4.917 0.020 . 1 . . . . 652 ASN HA . 16772 1 804 . 1 1 77 77 ASN HB2 H 1 3.500 0.020 . 2 . . . . 652 ASN HB2 . 16772 1 805 . 1 1 77 77 ASN HB3 H 1 2.681 0.020 . 2 . . . . 652 ASN HB3 . 16772 1 806 . 1 1 77 77 ASN HD21 H 1 7.609 0.020 . 2 . . . . 652 ASN HD21 . 16772 1 807 . 1 1 77 77 ASN HD22 H 1 6.287 0.020 . 2 . . . . 652 ASN HD22 . 16772 1 808 . 1 1 77 77 ASN C C 13 175.766 0.200 . 1 . . . . 652 ASN C . 16772 1 809 . 1 1 77 77 ASN CA C 13 53.226 0.200 . 1 . . . . 652 ASN CA . 16772 1 810 . 1 1 77 77 ASN CB C 13 39.201 0.200 . 1 . . . . 652 ASN CB . 16772 1 811 . 1 1 77 77 ASN N N 15 122.067 0.200 . 1 . . . . 652 ASN N . 16772 1 812 . 1 1 77 77 ASN ND2 N 15 109.510 0.200 . 1 . . . . 652 ASN ND2 . 16772 1 813 . 1 1 78 78 LEU H H 1 9.034 0.020 . 1 . . . . 653 LEU H . 16772 1 814 . 1 1 78 78 LEU HA H 1 4.250 0.020 . 1 . . . . 653 LEU HA . 16772 1 815 . 1 1 78 78 LEU HB2 H 1 1.646 0.020 . 2 . . . . 653 LEU HB2 . 16772 1 816 . 1 1 78 78 LEU HB3 H 1 1.431 0.020 . 2 . . . . 653 LEU HB3 . 16772 1 817 . 1 1 78 78 LEU HD11 H 1 0.244 0.020 . 2 . . . . 653 LEU QD1 . 16772 1 818 . 1 1 78 78 LEU HD12 H 1 0.244 0.020 . 2 . . . . 653 LEU QD1 . 16772 1 819 . 1 1 78 78 LEU HD13 H 1 0.244 0.020 . 2 . . . . 653 LEU QD1 . 16772 1 820 . 1 1 78 78 LEU HD21 H 1 0.604 0.020 . 2 . . . . 653 LEU QD2 . 16772 1 821 . 1 1 78 78 LEU HD22 H 1 0.604 0.020 . 2 . . . . 653 LEU QD2 . 16772 1 822 . 1 1 78 78 LEU HD23 H 1 0.604 0.020 . 2 . . . . 653 LEU QD2 . 16772 1 823 . 1 1 78 78 LEU HG H 1 1.346 0.020 . 1 . . . . 653 LEU HG . 16772 1 824 . 1 1 78 78 LEU C C 13 178.918 0.200 . 1 . . . . 653 LEU C . 16772 1 825 . 1 1 78 78 LEU CA C 13 54.104 0.024 . 1 . . . . 653 LEU CA . 16772 1 826 . 1 1 78 78 LEU CB C 13 40.897 0.200 . 1 . . . . 653 LEU CB . 16772 1 827 . 1 1 78 78 LEU CD1 C 13 22.477 0.200 . 1 . . . . 653 LEU CD1 . 16772 1 828 . 1 1 78 78 LEU CD2 C 13 24.840 0.200 . 1 . . . . 653 LEU CD2 . 16772 1 829 . 1 1 78 78 LEU CG C 13 27.307 0.200 . 1 . . . . 653 LEU CG . 16772 1 830 . 1 1 78 78 LEU N N 15 127.526 0.200 . 1 . . . . 653 LEU N . 16772 1 831 . 1 1 79 79 GLY H H 1 8.062 0.020 . 1 . . . . 654 GLY H . 16772 1 832 . 1 1 79 79 GLY HA2 H 1 3.084 0.020 . 2 . . . . 654 GLY HA2 . 16772 1 833 . 1 1 79 79 GLY HA3 H 1 4.398 0.020 . 2 . . . . 654 GLY HA3 . 16772 1 834 . 1 1 79 79 GLY C C 13 173.094 0.200 . 1 . . . . 654 GLY C . 16772 1 835 . 1 1 79 79 GLY CA C 13 44.952 0.200 . 1 . . . . 654 GLY CA . 16772 1 836 . 1 1 79 79 GLY N N 15 106.299 0.200 . 1 . . . . 654 GLY N . 16772 1 837 . 1 1 80 80 ARG H H 1 8.926 0.020 . 1 . . . . 655 ARG H . 16772 1 838 . 1 1 80 80 ARG HA H 1 4.579 0.002 . 1 . . . . 655 ARG HA . 16772 1 839 . 1 1 80 80 ARG HB2 H 1 1.985 0.020 . 2 . . . . 655 ARG HB2 . 16772 1 840 . 1 1 80 80 ARG HB3 H 1 1.898 0.020 . 2 . . . . 655 ARG HB3 . 16772 1 841 . 1 1 80 80 ARG HD2 H 1 3.399 0.020 . 2 . . . . 655 ARG HD2 . 16772 1 842 . 1 1 80 80 ARG HE H 1 7.407 0.020 . 1 . . . . 655 ARG HE . 16772 1 843 . 1 1 80 80 ARG HG2 H 1 1.871 0.020 . 2 . . . . 655 ARG HG2 . 16772 1 844 . 1 1 80 80 ARG HG3 H 1 1.871 0.020 . 2 . . . . 655 ARG HG3 . 16772 1 845 . 1 1 80 80 ARG C C 13 177.417 0.200 . 1 . . . . 655 ARG C . 16772 1 846 . 1 1 80 80 ARG CA C 13 56.698 0.200 . 1 . . . . 655 ARG CA . 16772 1 847 . 1 1 80 80 ARG CB C 13 31.210 0.200 . 1 . . . . 655 ARG CB . 16772 1 848 . 1 1 80 80 ARG CD C 13 44.572 0.200 . 1 . . . . 655 ARG CD . 16772 1 849 . 1 1 80 80 ARG CG C 13 28.602 0.200 . 1 . . . . 655 ARG CG . 16772 1 850 . 1 1 80 80 ARG N N 15 125.953 0.200 . 1 . . . . 655 ARG N . 16772 1 851 . 1 1 80 80 ARG NE N 15 86.500 0.200 . 1 . . . . 655 ARG NE . 16772 1 852 . 1 1 81 81 SER H H 1 8.061 0.020 . 1 . . . . 656 SER H . 16772 1 853 . 1 1 81 81 SER HA H 1 2.916 0.020 . 1 . . . . 656 SER HA . 16772 1 854 . 1 1 81 81 SER HB2 H 1 3.166 0.020 . 2 . . . . 656 SER HB2 . 16772 1 855 . 1 1 81 81 SER HB3 H 1 3.108 0.020 . 2 . . . . 656 SER HB3 . 16772 1 856 . 1 1 81 81 SER C C 13 173.379 0.200 . 1 . . . . 656 SER C . 16772 1 857 . 1 1 81 81 SER CA C 13 60.018 0.200 . 1 . . . . 656 SER CA . 16772 1 858 . 1 1 81 81 SER CB C 13 64.116 0.200 . 1 . . . . 656 SER CB . 16772 1 859 . 1 1 81 81 SER N N 15 118.181 0.200 . 1 . . . . 656 SER N . 16772 1 860 . 1 1 82 82 ASN H H 1 7.288 0.020 . 1 . . . . 657 ASN H . 16772 1 861 . 1 1 82 82 ASN HA H 1 4.716 0.020 . 1 . . . . 657 ASN HA . 16772 1 862 . 1 1 82 82 ASN HB2 H 1 3.196 0.020 . 2 . . . . 657 ASN HB2 . 16772 1 863 . 1 1 82 82 ASN HB3 H 1 3.014 0.020 . 2 . . . . 657 ASN HB3 . 16772 1 864 . 1 1 82 82 ASN HD21 H 1 8.091 0.020 . 2 . . . . 657 ASN HD21 . 16772 1 865 . 1 1 82 82 ASN HD22 H 1 7.872 0.020 . 2 . . . . 657 ASN HD22 . 16772 1 866 . 1 1 82 82 ASN C C 13 171.938 0.200 . 1 . . . . 657 ASN C . 16772 1 867 . 1 1 82 82 ASN CA C 13 53.787 0.200 . 1 . . . . 657 ASN CA . 16772 1 868 . 1 1 82 82 ASN CB C 13 41.509 0.200 . 1 . . . . 657 ASN CB . 16772 1 869 . 1 1 82 82 ASN N N 15 115.789 0.200 . 1 . . . . 657 ASN N . 16772 1 870 . 1 1 82 82 ASN ND2 N 15 117.844 0.200 . 1 . . . . 657 ASN ND2 . 16772 1 871 . 1 1 83 83 ALA H H 1 8.882 0.020 . 1 . . . . 658 ALA H . 16772 1 872 . 1 1 83 83 ALA HA H 1 5.097 0.020 . 1 . . . . 658 ALA HA . 16772 1 873 . 1 1 83 83 ALA HB1 H 1 1.570 0.020 . 1 . . . . 658 ALA QB . 16772 1 874 . 1 1 83 83 ALA HB2 H 1 1.570 0.020 . 1 . . . . 658 ALA QB . 16772 1 875 . 1 1 83 83 ALA HB3 H 1 1.570 0.020 . 1 . . . . 658 ALA QB . 16772 1 876 . 1 1 83 83 ALA C C 13 177.162 0.200 . 1 . . . . 658 ALA C . 16772 1 877 . 1 1 83 83 ALA CA C 13 50.774 0.200 . 1 . . . . 658 ALA CA . 16772 1 878 . 1 1 83 83 ALA CB C 13 20.189 0.200 . 1 . . . . 658 ALA CB . 16772 1 879 . 1 1 83 83 ALA N N 15 121.489 0.200 . 1 . . . . 658 ALA N . 16772 1 880 . 1 1 84 84 LYS H H 1 8.383 0.020 . 1 . . . . 659 LYS H . 16772 1 881 . 1 1 84 84 LYS HA H 1 4.811 0.020 . 1 . . . . 659 LYS HA . 16772 1 882 . 1 1 84 84 LYS HB2 H 1 1.951 0.020 . 2 . . . . 659 LYS HB2 . 16772 1 883 . 1 1 84 84 LYS HB3 H 1 1.854 0.001 . 2 . . . . 659 LYS HB3 . 16772 1 884 . 1 1 84 84 LYS HD2 H 1 1.652 0.020 . 2 . . . . 659 LYS HD2 . 16772 1 885 . 1 1 84 84 LYS HD3 H 1 1.589 0.020 . 2 . . . . 659 LYS HD3 . 16772 1 886 . 1 1 84 84 LYS HE2 H 1 3.146 0.001 . 2 . . . . 659 LYS HE2 . 16772 1 887 . 1 1 84 84 LYS HE3 H 1 3.146 0.001 . 2 . . . . 659 LYS HE3 . 16772 1 888 . 1 1 84 84 LYS HG2 H 1 1.701 0.020 . 2 . . . . 659 LYS HG2 . 16772 1 889 . 1 1 84 84 LYS C C 13 175.841 0.200 . 1 . . . . 659 LYS C . 16772 1 890 . 1 1 84 84 LYS CA C 13 56.034 0.200 . 1 . . . . 659 LYS CA . 16772 1 891 . 1 1 84 84 LYS CB C 13 31.779 0.019 . 1 . . . . 659 LYS CB . 16772 1 892 . 1 1 84 84 LYS CD C 13 25.042 0.200 . 1 . . . . 659 LYS CD . 16772 1 893 . 1 1 84 84 LYS CE C 13 42.838 0.200 . 1 . . . . 659 LYS CE . 16772 1 894 . 1 1 84 84 LYS N N 15 122.227 0.200 . 1 . . . . 659 LYS N . 16772 1 895 . 1 1 85 85 LEU H H 1 7.814 0.020 . 1 . . . . 660 LEU H . 16772 1 896 . 1 1 85 85 LEU HA H 1 4.811 0.020 . 1 . . . . 660 LEU HA . 16772 1 897 . 1 1 85 85 LEU HB2 H 1 1.245 0.020 . 2 . . . . 660 LEU HB2 . 16772 1 898 . 1 1 85 85 LEU HB3 H 1 1.485 0.020 . 2 . . . . 660 LEU HB3 . 16772 1 899 . 1 1 85 85 LEU HD11 H 1 0.673 0.020 . 2 . . . . 660 LEU QD1 . 16772 1 900 . 1 1 85 85 LEU HD12 H 1 0.673 0.020 . 2 . . . . 660 LEU QD1 . 16772 1 901 . 1 1 85 85 LEU HD13 H 1 0.673 0.020 . 2 . . . . 660 LEU QD1 . 16772 1 902 . 1 1 85 85 LEU HD21 H 1 0.559 0.020 . 2 . . . . 660 LEU QD2 . 16772 1 903 . 1 1 85 85 LEU HD22 H 1 0.559 0.020 . 2 . . . . 660 LEU QD2 . 16772 1 904 . 1 1 85 85 LEU HD23 H 1 0.559 0.020 . 2 . . . . 660 LEU QD2 . 16772 1 905 . 1 1 85 85 LEU HG H 1 1.475 0.020 . 1 . . . . 660 LEU HG . 16772 1 906 . 1 1 85 85 LEU C C 13 176.411 0.200 . 1 . . . . 660 LEU C . 16772 1 907 . 1 1 85 85 LEU CA C 13 54.451 0.200 . 1 . . . . 660 LEU CA . 16772 1 908 . 1 1 85 85 LEU CB C 13 44.604 0.200 . 1 . . . . 660 LEU CB . 16772 1 909 . 1 1 85 85 LEU CD1 C 13 24.072 0.200 . 1 . . . . 660 LEU CD1 . 16772 1 910 . 1 1 85 85 LEU CD2 C 13 26.074 0.200 . 1 . . . . 660 LEU CD2 . 16772 1 911 . 1 1 85 85 LEU CG C 13 27.307 0.200 . 1 . . . . 660 LEU CG . 16772 1 912 . 1 1 85 85 LEU N N 15 125.310 0.200 . 1 . . . . 660 LEU N . 16772 1 913 . 1 1 86 86 SER H H 1 8.787 0.020 . 1 . . . . 661 SER H . 16772 1 914 . 1 1 86 86 SER HA H 1 5.436 0.020 . 1 . . . . 661 SER HA . 16772 1 915 . 1 1 86 86 SER HB2 H 1 3.887 0.020 . 2 . . . . 661 SER HB2 . 16772 1 916 . 1 1 86 86 SER C C 13 173.184 0.200 . 1 . . . . 661 SER C . 16772 1 917 . 1 1 86 86 SER CA C 13 57.516 0.200 . 1 . . . . 661 SER CA . 16772 1 918 . 1 1 86 86 SER CB C 13 66.551 0.200 . 1 . . . . 661 SER CB . 16772 1 919 . 1 1 86 86 SER N N 15 115.387 0.200 . 1 . . . . 661 SER N . 16772 1 920 . 1 1 87 87 TYR H H 1 9.102 0.020 . 1 . . . . 662 TYR H . 16772 1 921 . 1 1 87 87 TYR HA H 1 5.492 0.020 . 1 . . . . 662 TYR HA . 16772 1 922 . 1 1 87 87 TYR HB2 H 1 2.703 0.020 . 2 . . . . 662 TYR HB2 . 16772 1 923 . 1 1 87 87 TYR HB3 H 1 2.933 0.020 . 2 . . . . 662 TYR HB3 . 16772 1 924 . 1 1 87 87 TYR HD1 H 1 6.841 0.020 . 1 . . . . 662 TYR HD1 . 16772 1 925 . 1 1 87 87 TYR HD2 H 1 6.841 0.020 . 1 . . . . 662 TYR HD2 . 16772 1 926 . 1 1 87 87 TYR HE1 H 1 6.622 0.001 . 1 . . . . 662 TYR HE1 . 16772 1 927 . 1 1 87 87 TYR HE2 H 1 6.622 0.001 . 1 . . . . 662 TYR HE2 . 16772 1 928 . 1 1 87 87 TYR C C 13 174.595 0.200 . 1 . . . . 662 TYR C . 16772 1 929 . 1 1 87 87 TYR CA C 13 56.826 0.200 . 1 . . . . 662 TYR CA . 16772 1 930 . 1 1 87 87 TYR CB C 13 42.747 0.200 . 1 . . . . 662 TYR CB . 16772 1 931 . 1 1 87 87 TYR CD1 C 13 133.859 0.200 . 1 . . . . 662 TYR CD1 . 16772 1 932 . 1 1 87 87 TYR CE1 C 13 118.070 0.200 . 1 . . . . 662 TYR CE1 . 16772 1 933 . 1 1 87 87 TYR N N 15 124.732 0.200 . 1 . . . . 662 TYR N . 16772 1 934 . 1 1 88 88 TYR H H 1 8.228 0.020 . 1 . . . . 663 TYR H . 16772 1 935 . 1 1 88 88 TYR HA H 1 4.425 0.020 . 1 . . . . 663 TYR HA . 16772 1 936 . 1 1 88 88 TYR HB2 H 1 2.901 0.020 . 2 . . . . 663 TYR HB2 . 16772 1 937 . 1 1 88 88 TYR HB3 H 1 2.738 0.020 . 2 . . . . 663 TYR HB3 . 16772 1 938 . 1 1 88 88 TYR HD1 H 1 6.968 0.006 . 1 . . . . 663 TYR HD1 . 16772 1 939 . 1 1 88 88 TYR HD2 H 1 6.968 0.006 . 1 . . . . 663 TYR HD2 . 16772 1 940 . 1 1 88 88 TYR C C 13 175.556 0.200 . 1 . . . . 663 TYR C . 16772 1 941 . 1 1 88 88 TYR CA C 13 58.046 0.200 . 1 . . . . 663 TYR CA . 16772 1 942 . 1 1 88 88 TYR CB C 13 40.897 0.200 . 1 . . . . 663 TYR CB . 16772 1 943 . 1 1 88 88 TYR CD1 C 13 133.600 0.200 . 1 . . . . 663 TYR CD1 . 16772 1 944 . 1 1 88 88 TYR N N 15 126.852 0.200 . 1 . . . . 663 TYR N . 16772 1 945 . 1 1 89 89 ASP H H 1 8.708 0.020 . 1 . . . . 664 ASP H . 16772 1 946 . 1 1 89 89 ASP HA H 1 4.059 0.020 . 1 . . . . 664 ASP HA . 16772 1 947 . 1 1 89 89 ASP HB2 H 1 1.677 0.020 . 2 . . . . 664 ASP HB2 . 16772 1 948 . 1 1 89 89 ASP HB3 H 1 2.700 0.020 . 2 . . . . 664 ASP HB3 . 16772 1 949 . 1 1 89 89 ASP C C 13 175.364 0.200 . 1 . . . . 664 ASP C . 16772 1 950 . 1 1 89 89 ASP CA C 13 55.197 0.200 . 1 . . . . 664 ASP CA . 16772 1 951 . 1 1 89 89 ASP CB C 13 43.084 0.200 . 1 . . . . 664 ASP CB . 16772 1 952 . 1 1 89 89 ASP N N 15 125.551 0.200 . 1 . . . . 664 ASP N . 16772 1 953 . 1 1 90 90 GLY H H 1 6.821 0.020 . 1 . . . . 665 GLY H . 16772 1 954 . 1 1 90 90 GLY HA2 H 1 3.710 0.020 . 2 . . . . 665 GLY HA2 . 16772 1 955 . 1 1 90 90 GLY HA3 H 1 4.205 0.020 . 2 . . . . 665 GLY HA3 . 16772 1 956 . 1 1 90 90 GLY C C 13 173.770 0.200 . 1 . . . . 665 GLY C . 16772 1 957 . 1 1 90 90 GLY CA C 13 45.796 0.200 . 1 . . . . 665 GLY CA . 16772 1 958 . 1 1 90 90 GLY N N 15 101.158 0.200 . 1 . . . . 665 GLY N . 16772 1 959 . 1 1 91 91 MET H H 1 7.781 0.020 . 1 . . . . 666 MET H . 16772 1 960 . 1 1 91 91 MET HA H 1 4.846 0.001 . 1 . . . . 666 MET HA . 16772 1 961 . 1 1 91 91 MET HB2 H 1 2.099 0.020 . 2 . . . . 666 MET HB2 . 16772 1 962 . 1 1 91 91 MET HB3 H 1 1.781 0.001 . 2 . . . . 666 MET HB3 . 16772 1 963 . 1 1 91 91 MET HE1 H 1 2.033 0.020 . 1 . . . . 666 MET QE . 16772 1 964 . 1 1 91 91 MET HE2 H 1 2.033 0.020 . 1 . . . . 666 MET QE . 16772 1 965 . 1 1 91 91 MET HE3 H 1 2.033 0.020 . 1 . . . . 666 MET QE . 16772 1 966 . 1 1 91 91 MET HG2 H 1 2.387 0.020 . 2 . . . . 666 MET HG2 . 16772 1 967 . 1 1 91 91 MET C C 13 173.980 0.200 . 1 . . . . 666 MET C . 16772 1 968 . 1 1 91 91 MET CA C 13 54.630 0.200 . 1 . . . . 666 MET CA . 16772 1 969 . 1 1 91 91 MET CB C 13 35.938 0.200 . 1 . . . . 666 MET CB . 16772 1 970 . 1 1 91 91 MET CE C 13 17.600 0.200 . 1 . . . . 666 MET CE . 16772 1 971 . 1 1 91 91 MET CG C 13 31.837 0.200 . 1 . . . . 666 MET CG . 16772 1 972 . 1 1 91 91 MET N N 15 120.365 0.200 . 1 . . . . 666 MET N . 16772 1 973 . 1 1 92 92 ILE H H 1 8.111 0.020 . 1 . . . . 667 ILE H . 16772 1 974 . 1 1 92 92 ILE HA H 1 5.250 0.002 . 1 . . . . 667 ILE HA . 16772 1 975 . 1 1 92 92 ILE HB H 1 1.678 0.020 . 1 . . . . 667 ILE HB . 16772 1 976 . 1 1 92 92 ILE HD11 H 1 0.083 0.020 . 1 . . . . 667 ILE QD1 . 16772 1 977 . 1 1 92 92 ILE HD12 H 1 0.083 0.020 . 1 . . . . 667 ILE QD1 . 16772 1 978 . 1 1 92 92 ILE HD13 H 1 0.083 0.020 . 1 . . . . 667 ILE QD1 . 16772 1 979 . 1 1 92 92 ILE HG12 H 1 1.398 0.001 . 2 . . . . 667 ILE HG12 . 16772 1 980 . 1 1 92 92 ILE HG13 H 1 0.628 0.020 . 2 . . . . 667 ILE HG13 . 16772 1 981 . 1 1 92 92 ILE HG21 H 1 0.831 0.001 . 1 . . . . 667 ILE QG2 . 16772 1 982 . 1 1 92 92 ILE HG22 H 1 0.831 0.001 . 1 . . . . 667 ILE QG2 . 16772 1 983 . 1 1 92 92 ILE HG23 H 1 0.831 0.001 . 1 . . . . 667 ILE QG2 . 16772 1 984 . 1 1 92 92 ILE C C 13 175.676 0.200 . 1 . . . . 667 ILE C . 16772 1 985 . 1 1 92 92 ILE CA C 13 59.839 0.200 . 1 . . . . 667 ILE CA . 16772 1 986 . 1 1 92 92 ILE CB C 13 40.655 0.200 . 1 . . . . 667 ILE CB . 16772 1 987 . 1 1 92 92 ILE CD1 C 13 13.742 0.200 . 1 . . . . 667 ILE CD1 . 16772 1 988 . 1 1 92 92 ILE CG1 C 13 29.197 0.086 . 1 . . . . 667 ILE CG1 . 16772 1 989 . 1 1 92 92 ILE CG2 C 13 20.113 0.200 . 1 . . . . 667 ILE CG2 . 16772 1 990 . 1 1 92 92 ILE N N 15 121.441 0.200 . 1 . . . . 667 ILE N . 16772 1 991 . 1 1 93 93 GLN H H 1 9.254 0.020 . 1 . . . . 668 GLN H . 16772 1 992 . 1 1 93 93 GLN HA H 1 5.880 0.020 . 1 . . . . 668 GLN HA . 16772 1 993 . 1 1 93 93 GLN HB2 H 1 1.926 0.020 . 2 . . . . 668 GLN HB2 . 16772 1 994 . 1 1 93 93 GLN HB3 H 1 1.926 0.020 . 2 . . . . 668 GLN HB3 . 16772 1 995 . 1 1 93 93 GLN HE21 H 1 7.315 0.020 . 2 . . . . 668 GLN HE21 . 16772 1 996 . 1 1 93 93 GLN HE22 H 1 6.869 0.020 . 2 . . . . 668 GLN HE22 . 16772 1 997 . 1 1 93 93 GLN HG2 H 1 2.474 0.020 . 2 . . . . 668 GLN HG2 . 16772 1 998 . 1 1 93 93 GLN HG3 H 1 2.228 0.020 . 2 . . . . 668 GLN HG3 . 16772 1 999 . 1 1 93 93 GLN C C 13 175.180 0.200 . 1 . . . . 668 GLN C . 16772 1 1000 . 1 1 93 93 GLN CA C 13 54.706 0.200 . 1 . . . . 668 GLN CA . 16772 1 1001 . 1 1 93 93 GLN CB C 13 34.137 0.200 . 1 . . . . 668 GLN CB . 16772 1 1002 . 1 1 93 93 GLN CG C 13 35.396 0.200 . 1 . . . . 668 GLN CG . 16772 1 1003 . 1 1 93 93 GLN N N 15 124.411 0.200 . 1 . . . . 668 GLN N . 16772 1 1004 . 1 1 93 93 GLN NE2 N 15 112.963 0.200 . 1 . . . . 668 GLN NE2 . 16772 1 1005 . 1 1 94 94 LEU H H 1 8.635 0.020 . 1 . . . . 669 LEU H . 16772 1 1006 . 1 1 94 94 LEU HA H 1 4.758 0.020 . 1 . . . . 669 LEU HA . 16772 1 1007 . 1 1 94 94 LEU HB2 H 1 1.586 0.020 . 2 . . . . 669 LEU HB2 . 16772 1 1008 . 1 1 94 94 LEU HB3 H 1 1.426 0.020 . 2 . . . . 669 LEU HB3 . 16772 1 1009 . 1 1 94 94 LEU HD11 H 1 1.083 0.020 . 2 . . . . 669 LEU QD1 . 16772 1 1010 . 1 1 94 94 LEU HD12 H 1 1.083 0.020 . 2 . . . . 669 LEU QD1 . 16772 1 1011 . 1 1 94 94 LEU HD13 H 1 1.083 0.020 . 2 . . . . 669 LEU QD1 . 16772 1 1012 . 1 1 94 94 LEU HD21 H 1 1.068 0.020 . 2 . . . . 669 LEU QD2 . 16772 1 1013 . 1 1 94 94 LEU HD22 H 1 1.068 0.020 . 2 . . . . 669 LEU QD2 . 16772 1 1014 . 1 1 94 94 LEU HD23 H 1 1.068 0.020 . 2 . . . . 669 LEU QD2 . 16772 1 1015 . 1 1 94 94 LEU HG H 1 1.348 0.020 . 1 . . . . 669 LEU HG . 16772 1 1016 . 1 1 94 94 LEU C C 13 174.445 0.200 . 1 . . . . 669 LEU C . 16772 1 1017 . 1 1 94 94 LEU CA C 13 54.425 0.200 . 1 . . . . 669 LEU CA . 16772 1 1018 . 1 1 94 94 LEU CB C 13 48.487 0.200 . 1 . . . . 669 LEU CB . 16772 1 1019 . 1 1 94 94 LEU CD1 C 13 24.395 0.200 . 1 . . . . 669 LEU CD1 . 16772 1 1020 . 1 1 94 94 LEU CD2 C 13 26.999 0.200 . 1 . . . . 669 LEU CD2 . 16772 1 1021 . 1 1 94 94 LEU CG C 13 27.631 0.200 . 1 . . . . 669 LEU CG . 16772 1 1022 . 1 1 94 94 LEU N N 15 124.700 0.200 . 1 . . . . 669 LEU N . 16772 1 1023 . 1 1 95 95 THR H H 1 9.192 0.020 . 1 . . . . 670 THR H . 16772 1 1024 . 1 1 95 95 THR HA H 1 5.433 0.020 . 1 . . . . 670 THR HA . 16772 1 1025 . 1 1 95 95 THR HB H 1 4.028 0.020 . 1 . . . . 670 THR HB . 16772 1 1026 . 1 1 95 95 THR HG21 H 1 1.167 0.020 . 1 . . . . 670 THR QG2 . 16772 1 1027 . 1 1 95 95 THR HG22 H 1 1.167 0.020 . 1 . . . . 670 THR QG2 . 16772 1 1028 . 1 1 95 95 THR HG23 H 1 1.167 0.020 . 1 . . . . 670 THR QG2 . 16772 1 1029 . 1 1 95 95 THR C C 13 174.220 0.200 . 1 . . . . 670 THR C . 16772 1 1030 . 1 1 95 95 THR CA C 13 60.784 0.200 . 1 . . . . 670 THR CA . 16772 1 1031 . 1 1 95 95 THR CB C 13 71.391 0.200 . 1 . . . . 670 THR CB . 16772 1 1032 . 1 1 95 95 THR CG2 C 13 20.935 0.200 . 1 . . . . 670 THR CG2 . 16772 1 1033 . 1 1 95 95 THR N N 15 119.819 0.200 . 1 . . . . 670 THR N . 16772 1 1034 . 1 1 96 96 TYR H H 1 9.346 0.020 . 1 . . . . 671 TYR H . 16772 1 1035 . 1 1 96 96 TYR HA H 1 5.266 0.002 . 1 . . . . 671 TYR HA . 16772 1 1036 . 1 1 96 96 TYR HB2 H 1 2.933 0.020 . 2 . . . . 671 TYR HB2 . 16772 1 1037 . 1 1 96 96 TYR HB3 H 1 3.025 0.020 . 2 . . . . 671 TYR HB3 . 16772 1 1038 . 1 1 96 96 TYR HD1 H 1 6.974 0.020 . 1 . . . . 671 TYR HD1 . 16772 1 1039 . 1 1 96 96 TYR HD2 H 1 6.974 0.020 . 1 . . . . 671 TYR HD2 . 16772 1 1040 . 1 1 96 96 TYR HE1 H 1 7.246 0.020 . 1 . . . . 671 TYR HE1 . 16772 1 1041 . 1 1 96 96 TYR HE2 H 1 7.246 0.020 . 1 . . . . 671 TYR HE2 . 16772 1 1042 . 1 1 96 96 TYR HH H 1 9.595 0.020 . 1 . . . . 671 TYR HH . 16772 1 1043 . 1 1 96 96 TYR C C 13 175.270 0.200 . 1 . . . . 671 TYR C . 16772 1 1044 . 1 1 96 96 TYR CA C 13 53.353 0.200 . 1 . . . . 671 TYR CA . 16772 1 1045 . 1 1 96 96 TYR CB C 13 39.314 0.200 . 1 . . . . 671 TYR CB . 16772 1 1046 . 1 1 96 96 TYR CD1 C 13 131.530 0.200 . 1 . . . . 671 TYR CD1 . 16772 1 1047 . 1 1 96 96 TYR CE1 C 13 117.552 0.200 . 1 . . . . 671 TYR CE1 . 16772 1 1048 . 1 1 96 96 TYR N N 15 127.950 0.200 . 1 . . . . 671 TYR N . 16772 1 1049 . 1 1 97 97 ARG H H 1 8.969 0.020 . 1 . . . . 672 ARG H . 16772 1 1050 . 1 1 97 97 ARG HA H 1 5.156 0.020 . 1 . . . . 672 ARG HA . 16772 1 1051 . 1 1 97 97 ARG HB2 H 1 2.062 0.020 . 2 . . . . 672 ARG HB2 . 16772 1 1052 . 1 1 97 97 ARG HB3 H 1 1.849 0.020 . 2 . . . . 672 ARG HB3 . 16772 1 1053 . 1 1 97 97 ARG HD2 H 1 3.314 0.020 . 2 . . . . 672 ARG HD2 . 16772 1 1054 . 1 1 97 97 ARG HG2 H 1 1.731 0.020 . 2 . . . . 672 ARG HG2 . 16772 1 1055 . 1 1 97 97 ARG C C 13 176.291 0.200 . 1 . . . . 672 ARG C . 16772 1 1056 . 1 1 97 97 ARG CA C 13 55.217 0.200 . 1 . . . . 672 ARG CA . 16772 1 1057 . 1 1 97 97 ARG CB C 13 34.362 0.200 . 1 . . . . 672 ARG CB . 16772 1 1058 . 1 1 97 97 ARG CD C 13 43.955 0.200 . 1 . . . . 672 ARG CD . 16772 1 1059 . 1 1 97 97 ARG CG C 13 28.643 0.200 . 1 . . . . 672 ARG CG . 16772 1 1060 . 1 1 97 97 ARG N N 15 121.810 0.200 . 1 . . . . 672 ARG N . 16772 1 1061 . 1 1 98 98 ASP H H 1 9.284 0.020 . 1 . . . . 673 ASP H . 16772 1 1062 . 1 1 98 98 ASP HA H 1 4.380 0.020 . 1 . . . . 673 ASP HA . 16772 1 1063 . 1 1 98 98 ASP HB2 H 1 3.094 0.020 . 2 . . . . 673 ASP HB2 . 16772 1 1064 . 1 1 98 98 ASP HB3 H 1 2.932 0.020 . 2 . . . . 673 ASP HB3 . 16772 1 1065 . 1 1 98 98 ASP C C 13 176.000 0.200 . 1 . . . . 673 ASP C . 16772 1 1066 . 1 1 98 98 ASP CA C 13 56.673 0.200 . 1 . . . . 673 ASP CA . 16772 1 1067 . 1 1 98 98 ASP CB C 13 39.539 0.200 . 1 . . . . 673 ASP CB . 16772 1 1068 . 1 1 98 98 ASP N N 15 115.275 0.200 . 1 . . . . 673 ASP N . 16772 1 1069 . 1 1 99 99 GLY H H 1 8.545 0.020 . 1 . . . . 674 GLY H . 16772 1 1070 . 1 1 99 99 GLY HA2 H 1 4.032 0.020 . 2 . . . . 674 GLY HA2 . 16772 1 1071 . 1 1 99 99 GLY HA3 H 1 3.477 0.020 . 2 . . . . 674 GLY HA3 . 16772 1 1072 . 1 1 99 99 GLY C C 13 173.244 0.200 . 1 . . . . 674 GLY C . 16772 1 1073 . 1 1 99 99 GLY CA C 13 44.007 0.200 . 1 . . . . 674 GLY CA . 16772 1 1074 . 1 1 99 99 GLY N N 15 104.886 0.200 . 1 . . . . 674 GLY N . 16772 1 1075 . 1 1 100 100 THR H H 1 9.568 0.020 . 1 . . . . 675 THR H . 16772 1 1076 . 1 1 100 100 THR HA H 1 4.542 0.004 . 1 . . . . 675 THR HA . 16772 1 1077 . 1 1 100 100 THR HB H 1 4.164 0.020 . 1 . . . . 675 THR HB . 16772 1 1078 . 1 1 100 100 THR HG21 H 1 1.767 0.020 . 1 . . . . 675 THR QG2 . 16772 1 1079 . 1 1 100 100 THR HG22 H 1 1.767 0.020 . 1 . . . . 675 THR QG2 . 16772 1 1080 . 1 1 100 100 THR HG23 H 1 1.767 0.020 . 1 . . . . 675 THR QG2 . 16772 1 1081 . 1 1 100 100 THR CA C 13 63.223 0.200 . 1 . . . . 675 THR CA . 16772 1 1082 . 1 1 100 100 THR CB C 13 71.635 0.200 . 1 . . . . 675 THR CB . 16772 1 1083 . 1 1 100 100 THR CG2 C 13 22.454 0.200 . 1 . . . . 675 THR CG2 . 16772 1 1084 . 1 1 100 100 THR N N 15 119.337 0.200 . 1 . . . . 675 THR N . 16772 1 1085 . 1 1 101 101 PRO HA H 1 4.733 0.020 . 1 . . . . 676 PRO HA . 16772 1 1086 . 1 1 101 101 PRO HB2 H 1 2.314 0.002 . 2 . . . . 676 PRO HB2 . 16772 1 1087 . 1 1 101 101 PRO HB3 H 1 1.927 0.020 . 2 . . . . 676 PRO HB3 . 16772 1 1088 . 1 1 101 101 PRO HD2 H 1 3.897 0.003 . 2 . . . . 676 PRO HD2 . 16772 1 1089 . 1 1 101 101 PRO HD3 H 1 4.238 0.005 . 2 . . . . 676 PRO HD3 . 16772 1 1090 . 1 1 101 101 PRO HG2 H 1 2.230 0.020 . 2 . . . . 676 PRO HG2 . 16772 1 1091 . 1 1 101 101 PRO HG3 H 1 2.064 0.020 . 2 . . . . 676 PRO HG3 . 16772 1 1092 . 1 1 101 101 PRO C C 13 174.865 3.032 . 1 . . . . 676 PRO C . 16772 1 1093 . 1 1 101 101 PRO CA C 13 63.663 0.200 . 1 . . . . 676 PRO CA . 16772 1 1094 . 1 1 101 101 PRO CB C 13 32.842 0.200 . 1 . . . . 676 PRO CB . 16772 1 1095 . 1 1 101 101 PRO CD C 13 52.221 0.200 . 1 . . . . 676 PRO CD . 16772 1 1096 . 1 1 101 101 PRO CG C 13 28.278 0.200 . 1 . . . . 676 PRO CG . 16772 1 1097 . 1 1 102 102 TYR H H 1 8.800 0.020 . 1 . . . . 677 TYR H . 16772 1 1098 . 1 1 102 102 TYR HA H 1 4.400 0.020 . 1 . . . . 677 TYR HA . 16772 1 1099 . 1 1 102 102 TYR HB2 H 1 3.047 0.020 . 2 . . . . 677 TYR HB2 . 16772 1 1100 . 1 1 102 102 TYR HB3 H 1 2.906 0.020 . 2 . . . . 677 TYR HB3 . 16772 1 1101 . 1 1 102 102 TYR HD1 H 1 7.260 0.020 . 1 . . . . 677 TYR HD1 . 16772 1 1102 . 1 1 102 102 TYR HD2 H 1 7.260 0.020 . 1 . . . . 677 TYR HD2 . 16772 1 1103 . 1 1 102 102 TYR HE1 H 1 6.836 0.020 . 1 . . . . 677 TYR HE1 . 16772 1 1104 . 1 1 102 102 TYR HE2 H 1 6.836 0.020 . 1 . . . . 677 TYR HE2 . 16772 1 1105 . 1 1 102 102 TYR C C 13 177.306 0.200 . 1 . . . . 677 TYR C . 16772 1 1106 . 1 1 102 102 TYR CA C 13 59.663 0.200 . 1 . . . . 677 TYR CA . 16772 1 1107 . 1 1 102 102 TYR CD1 C 13 133.342 0.200 . 1 . . . . 677 TYR CD1 . 16772 1 1108 . 1 1 102 102 TYR CE1 C 13 119.105 0.200 . 1 . . . . 677 TYR CE1 . 16772 1 1109 . 1 1 102 102 TYR N N 15 123.012 0.200 . 1 . . . . 677 TYR N . 16772 1 1110 . 1 1 103 103 ASN H H 1 8.782 0.020 . 1 . . . . 678 ASN H . 16772 1 1111 . 1 1 103 103 ASN HA H 1 4.968 0.020 . 1 . . . . 678 ASN HA . 16772 1 1112 . 1 1 103 103 ASN HB2 H 1 3.046 0.020 . 2 . . . . 678 ASN HB2 . 16772 1 1113 . 1 1 103 103 ASN HB3 H 1 2.875 0.020 . 2 . . . . 678 ASN HB3 . 16772 1 1114 . 1 1 103 103 ASN HD21 H 1 7.643 0.020 . 2 . . . . 678 ASN HD21 . 16772 1 1115 . 1 1 103 103 ASN HD22 H 1 6.951 0.020 . 2 . . . . 678 ASN HD22 . 16772 1 1116 . 1 1 103 103 ASN C C 13 175.120 0.200 . 1 . . . . 678 ASN C . 16772 1 1117 . 1 1 103 103 ASN CA C 13 53.225 0.200 . 1 . . . . 678 ASN CA . 16772 1 1118 . 1 1 103 103 ASN CB C 13 37.795 0.200 . 1 . . . . 678 ASN CB . 16772 1 1119 . 1 1 103 103 ASN N N 15 121.955 0.200 . 1 . . . . 678 ASN N . 16772 1 1120 . 1 1 103 103 ASN ND2 N 15 112.706 0.200 . 1 . . . . 678 ASN ND2 . 16772 1 1121 . 1 1 104 104 ASN H H 1 7.955 0.020 . 1 . . . . 679 ASN H . 16772 1 1122 . 1 1 104 104 ASN HA H 1 4.858 0.020 . 1 . . . . 679 ASN HA . 16772 1 1123 . 1 1 104 104 ASN HB2 H 1 3.235 0.020 . 2 . . . . 679 ASN HB2 . 16772 1 1124 . 1 1 104 104 ASN HB3 H 1 3.020 0.020 . 2 . . . . 679 ASN HB3 . 16772 1 1125 . 1 1 104 104 ASN HD21 H 1 7.515 0.020 . 2 . . . . 679 ASN HD21 . 16772 1 1126 . 1 1 104 104 ASN HD22 H 1 6.873 0.020 . 2 . . . . 679 ASN HD22 . 16772 1 1127 . 1 1 104 104 ASN C C 13 176.276 0.200 . 1 . . . . 679 ASN C . 16772 1 1128 . 1 1 104 104 ASN CA C 13 52.357 0.200 . 1 . . . . 679 ASN CA . 16772 1 1129 . 1 1 104 104 ASN CB C 13 39.296 0.200 . 1 . . . . 679 ASN CB . 16772 1 1130 . 1 1 104 104 ASN N N 15 117.699 0.200 . 1 . . . . 679 ASN N . 16772 1 1131 . 1 1 104 104 ASN ND2 N 15 110.955 0.200 . 1 . . . . 679 ASN ND2 . 16772 1 1132 . 1 1 105 105 GLU H H 1 8.824 0.020 . 1 . . . . 680 GLU H . 16772 1 1133 . 1 1 105 105 GLU HA H 1 4.197 0.020 . 1 . . . . 680 GLU HA . 16772 1 1134 . 1 1 105 105 GLU HB2 H 1 2.137 0.020 . 2 . . . . 680 GLU HB2 . 16772 1 1135 . 1 1 105 105 GLU HB3 H 1 2.137 0.020 . 2 . . . . 680 GLU HB3 . 16772 1 1136 . 1 1 105 105 GLU HG2 H 1 2.408 0.020 . 2 . . . . 680 GLU HG2 . 16772 1 1137 . 1 1 105 105 GLU HG3 H 1 2.359 0.020 . 2 . . . . 680 GLU HG3 . 16772 1 1138 . 1 1 105 105 GLU C C 13 177.747 0.200 . 1 . . . . 680 GLU C . 16772 1 1139 . 1 1 105 105 GLU CA C 13 59.660 0.200 . 1 . . . . 680 GLU CA . 16772 1 1140 . 1 1 105 105 GLU CB C 13 29.972 0.200 . 1 . . . . 680 GLU CB . 16772 1 1141 . 1 1 105 105 GLU CG C 13 36.864 0.200 . 1 . . . . 680 GLU CG . 16772 1 1142 . 1 1 105 105 GLU N N 15 120.670 0.200 . 1 . . . . 680 GLU N . 16772 1 1143 . 1 1 106 106 LYS H H 1 7.841 0.020 . 1 . . . . 681 LYS H . 16772 1 1144 . 1 1 106 106 LYS HA H 1 4.330 0.020 . 1 . . . . 681 LYS HA . 16772 1 1145 . 1 1 106 106 LYS HB2 H 1 1.991 0.020 . 2 . . . . 681 LYS HB2 . 16772 1 1146 . 1 1 106 106 LYS HB3 H 1 1.755 0.001 . 2 . . . . 681 LYS HB3 . 16772 1 1147 . 1 1 106 106 LYS HE2 H 1 3.056 0.020 . 2 . . . . 681 LYS HE2 . 16772 1 1148 . 1 1 106 106 LYS HG2 H 1 1.505 0.020 . 2 . . . . 681 LYS HG2 . 16772 1 1149 . 1 1 106 106 LYS HG3 H 1 1.472 0.002 . 2 . . . . 681 LYS HG3 . 16772 1 1150 . 1 1 106 106 LYS C C 13 176.306 0.200 . 1 . . . . 681 LYS C . 16772 1 1151 . 1 1 106 106 LYS CA C 13 56.775 0.200 . 1 . . . . 681 LYS CA . 16772 1 1152 . 1 1 106 106 LYS CB C 13 33.012 0.200 . 1 . . . . 681 LYS CB . 16772 1 1153 . 1 1 106 106 LYS CE C 13 42.938 0.200 . 1 . . . . 681 LYS CE . 16772 1 1154 . 1 1 106 106 LYS N N 15 116.993 0.200 . 1 . . . . 681 LYS N . 16772 1 1155 . 1 1 107 107 ARG H H 1 7.992 0.020 . 1 . . . . 682 ARG H . 16772 1 1156 . 1 1 107 107 ARG HA H 1 4.462 0.020 . 1 . . . . 682 ARG HA . 16772 1 1157 . 1 1 107 107 ARG HB2 H 1 2.034 0.020 . 2 . . . . 682 ARG HB2 . 16772 1 1158 . 1 1 107 107 ARG HB3 H 1 1.941 0.020 . 2 . . . . 682 ARG HB3 . 16772 1 1159 . 1 1 107 107 ARG HD2 H 1 3.282 0.020 . 2 . . . . 682 ARG HD2 . 16772 1 1160 . 1 1 107 107 ARG HG2 H 1 1.761 0.020 . 2 . . . . 682 ARG HG2 . 16772 1 1161 . 1 1 107 107 ARG C C 13 176.201 0.200 . 1 . . . . 682 ARG C . 16772 1 1162 . 1 1 107 107 ARG CA C 13 56.187 0.200 . 1 . . . . 682 ARG CA . 16772 1 1163 . 1 1 107 107 ARG CB C 13 28.903 0.200 . 1 . . . . 682 ARG CB . 16772 1 1164 . 1 1 107 107 ARG CD C 13 43.853 0.200 . 1 . . . . 682 ARG CD . 16772 1 1165 . 1 1 107 107 ARG CG C 13 27.512 0.200 . 1 . . . . 682 ARG CG . 16772 1 1166 . 1 1 107 107 ARG N N 15 118.888 0.200 . 1 . . . . 682 ARG N . 16772 1 1167 . 1 1 108 108 THR H H 1 8.142 0.020 . 1 . . . . 683 THR H . 16772 1 1168 . 1 1 108 108 THR HA H 1 4.432 0.005 . 1 . . . . 683 THR HA . 16772 1 1169 . 1 1 108 108 THR HB H 1 4.153 0.020 . 1 . . . . 683 THR HB . 16772 1 1170 . 1 1 108 108 THR HG21 H 1 1.459 0.020 . 1 . . . . 683 THR QG2 . 16772 1 1171 . 1 1 108 108 THR HG22 H 1 1.459 0.020 . 1 . . . . 683 THR QG2 . 16772 1 1172 . 1 1 108 108 THR HG23 H 1 1.459 0.020 . 1 . . . . 683 THR QG2 . 16772 1 1173 . 1 1 108 108 THR CA C 13 61.928 0.200 . 1 . . . . 683 THR CA . 16772 1 1174 . 1 1 108 108 THR CB C 13 70.665 0.200 . 1 . . . . 683 THR CB . 16772 1 1175 . 1 1 108 108 THR CG2 C 13 22.130 0.200 . 1 . . . . 683 THR CG2 . 16772 1 1176 . 1 1 108 108 THR N N 15 116.800 0.200 . 1 . . . . 683 THR N . 16772 1 1177 . 1 1 109 109 PRO HA H 1 4.276 0.002 . 1 . . . . 684 PRO HA . 16772 1 1178 . 1 1 109 109 PRO HB2 H 1 2.647 0.020 . 2 . . . . 684 PRO HB2 . 16772 1 1179 . 1 1 109 109 PRO HB3 H 1 2.107 0.020 . 2 . . . . 684 PRO HB3 . 16772 1 1180 . 1 1 109 109 PRO HD2 H 1 4.304 0.006 . 2 . . . . 684 PRO HD2 . 16772 1 1181 . 1 1 109 109 PRO HD3 H 1 3.843 0.002 . 2 . . . . 684 PRO HD3 . 16772 1 1182 . 1 1 109 109 PRO HG2 H 1 2.391 0.020 . 2 . . . . 684 PRO HG2 . 16772 1 1183 . 1 1 109 109 PRO HG3 H 1 2.147 0.020 . 2 . . . . 684 PRO HG3 . 16772 1 1184 . 1 1 109 109 PRO C C 13 176.937 0.200 . 1 . . . . 684 PRO C . 16772 1 1185 . 1 1 109 109 PRO CA C 13 63.968 0.200 . 1 . . . . 684 PRO CA . 16772 1 1186 . 1 1 109 109 PRO CB C 13 33.267 0.200 . 1 . . . . 684 PRO CB . 16772 1 1187 . 1 1 109 109 PRO CD C 13 51.898 0.200 . 1 . . . . 684 PRO CD . 16772 1 1188 . 1 1 109 109 PRO CG C 13 28.278 0.200 . 1 . . . . 684 PRO CG . 16772 1 1189 . 1 1 110 110 ARG H H 1 6.612 0.020 . 1 . . . . 685 ARG H . 16772 1 1190 . 1 1 110 110 ARG HA H 1 4.574 0.020 . 1 . . . . 685 ARG HA . 16772 1 1191 . 1 1 110 110 ARG HB2 H 1 1.894 0.020 . 2 . . . . 685 ARG HB2 . 16772 1 1192 . 1 1 110 110 ARG HB3 H 1 1.762 0.020 . 2 . . . . 685 ARG HB3 . 16772 1 1193 . 1 1 110 110 ARG HD2 H 1 3.135 0.020 . 2 . . . . 685 ARG HD2 . 16772 1 1194 . 1 1 110 110 ARG HD3 H 1 3.007 0.020 . 2 . . . . 685 ARG HD3 . 16772 1 1195 . 1 1 110 110 ARG HE H 1 7.221 0.020 . 1 . . . . 685 ARG HE . 16772 1 1196 . 1 1 110 110 ARG HG2 H 1 1.839 0.020 . 2 . . . . 685 ARG HG2 . 16772 1 1197 . 1 1 110 110 ARG HG3 H 1 1.839 0.020 . 2 . . . . 685 ARG HG3 . 16772 1 1198 . 1 1 110 110 ARG C C 13 174.040 0.200 . 1 . . . . 685 ARG C . 16772 1 1199 . 1 1 110 110 ARG CA C 13 58.000 0.200 . 1 . . . . 685 ARG CA . 16772 1 1200 . 1 1 110 110 ARG CB C 13 33.124 0.200 . 1 . . . . 685 ARG CB . 16772 1 1201 . 1 1 110 110 ARG CD C 13 44.161 0.200 . 1 . . . . 685 ARG CD . 16772 1 1202 . 1 1 110 110 ARG N N 15 121.955 0.200 . 1 . . . . 685 ARG N . 16772 1 1203 . 1 1 110 110 ARG NE N 15 84.188 0.200 . 1 . . . . 685 ARG NE . 16772 1 1204 . 1 1 111 111 ALA H H 1 8.130 0.020 . 1 . . . . 686 ALA H . 16772 1 1205 . 1 1 111 111 ALA HA H 1 5.485 0.020 . 1 . . . . 686 ALA HA . 16772 1 1206 . 1 1 111 111 ALA HB1 H 1 1.636 0.020 . 1 . . . . 686 ALA QB . 16772 1 1207 . 1 1 111 111 ALA HB2 H 1 1.636 0.020 . 1 . . . . 686 ALA QB . 16772 1 1208 . 1 1 111 111 ALA HB3 H 1 1.636 0.020 . 1 . . . . 686 ALA QB . 16772 1 1209 . 1 1 111 111 ALA C C 13 177.372 0.200 . 1 . . . . 686 ALA C . 16772 1 1210 . 1 1 111 111 ALA CA C 13 51.464 0.200 . 1 . . . . 686 ALA CA . 16772 1 1211 . 1 1 111 111 ALA CB C 13 24.007 0.200 . 1 . . . . 686 ALA CB . 16772 1 1212 . 1 1 111 111 ALA N N 15 120.847 0.200 . 1 . . . . 686 ALA N . 16772 1 1213 . 1 1 112 112 THR H H 1 9.491 0.020 . 1 . . . . 687 THR H . 16772 1 1214 . 1 1 112 112 THR HA H 1 5.416 0.020 . 1 . . . . 687 THR HA . 16772 1 1215 . 1 1 112 112 THR HB H 1 3.929 0.020 . 1 . . . . 687 THR HB . 16772 1 1216 . 1 1 112 112 THR HG21 H 1 1.206 0.020 . 1 . . . . 687 THR QG2 . 16772 1 1217 . 1 1 112 112 THR HG22 H 1 1.206 0.020 . 1 . . . . 687 THR QG2 . 16772 1 1218 . 1 1 112 112 THR HG23 H 1 1.206 0.020 . 1 . . . . 687 THR QG2 . 16772 1 1219 . 1 1 112 112 THR C C 13 172.479 0.200 . 1 . . . . 687 THR C . 16772 1 1220 . 1 1 112 112 THR CA C 13 63.133 0.200 . 1 . . . . 687 THR CA . 16772 1 1221 . 1 1 112 112 THR CB C 13 73.247 0.200 . 1 . . . . 687 THR CB . 16772 1 1222 . 1 1 112 112 THR CG2 C 13 21.655 0.200 . 1 . . . . 687 THR CG2 . 16772 1 1223 . 1 1 112 112 THR N N 15 116.559 0.200 . 1 . . . . 687 THR N . 16772 1 1224 . 1 1 113 113 LEU H H 1 9.179 0.020 . 1 . . . . 688 LEU H . 16772 1 1225 . 1 1 113 113 LEU HA H 1 5.211 0.001 . 1 . . . . 688 LEU HA . 16772 1 1226 . 1 1 113 113 LEU HB2 H 1 1.991 0.020 . 2 . . . . 688 LEU HB2 . 16772 1 1227 . 1 1 113 113 LEU HB3 H 1 1.223 0.002 . 2 . . . . 688 LEU HB3 . 16772 1 1228 . 1 1 113 113 LEU HD11 H 1 0.825 0.020 . 2 . . . . 688 LEU QD1 . 16772 1 1229 . 1 1 113 113 LEU HD12 H 1 0.825 0.020 . 2 . . . . 688 LEU QD1 . 16772 1 1230 . 1 1 113 113 LEU HD13 H 1 0.825 0.020 . 2 . . . . 688 LEU QD1 . 16772 1 1231 . 1 1 113 113 LEU HD21 H 1 0.813 0.020 . 2 . . . . 688 LEU QD2 . 16772 1 1232 . 1 1 113 113 LEU HD22 H 1 0.813 0.020 . 2 . . . . 688 LEU QD2 . 16772 1 1233 . 1 1 113 113 LEU HD23 H 1 0.813 0.020 . 2 . . . . 688 LEU QD2 . 16772 1 1234 . 1 1 113 113 LEU HG H 1 1.424 0.020 . 1 . . . . 688 LEU HG . 16772 1 1235 . 1 1 113 113 LEU C C 13 175.601 0.200 . 1 . . . . 688 LEU C . 16772 1 1236 . 1 1 113 113 LEU CA C 13 54.170 0.200 . 1 . . . . 688 LEU CA . 16772 1 1237 . 1 1 113 113 LEU CB C 13 45.392 0.200 . 1 . . . . 688 LEU CB . 16772 1 1238 . 1 1 113 113 LEU CD1 C 13 26.074 0.200 . 1 . . . . 688 LEU CD1 . 16772 1 1239 . 1 1 113 113 LEU CD2 C 13 24.327 0.200 . 1 . . . . 688 LEU CD2 . 16772 1 1240 . 1 1 113 113 LEU CG C 13 28.278 0.200 . 1 . . . . 688 LEU CG . 16772 1 1241 . 1 1 113 113 LEU N N 15 129.389 0.200 . 1 . . . . 688 LEU N . 16772 1 1242 . 1 1 114 114 ILE H H 1 9.177 0.020 . 1 . . . . 689 ILE H . 16772 1 1243 . 1 1 114 114 ILE HA H 1 4.677 0.020 . 1 . . . . 689 ILE HA . 16772 1 1244 . 1 1 114 114 ILE HB H 1 1.435 0.003 . 1 . . . . 689 ILE HB . 16772 1 1245 . 1 1 114 114 ILE HD11 H 1 0.634 0.020 . 1 . . . . 689 ILE QD1 . 16772 1 1246 . 1 1 114 114 ILE HD12 H 1 0.634 0.020 . 1 . . . . 689 ILE QD1 . 16772 1 1247 . 1 1 114 114 ILE HD13 H 1 0.634 0.020 . 1 . . . . 689 ILE QD1 . 16772 1 1248 . 1 1 114 114 ILE HG12 H 1 1.458 0.020 . 2 . . . . 689 ILE HG12 . 16772 1 1249 . 1 1 114 114 ILE HG13 H 1 0.555 0.003 . 2 . . . . 689 ILE HG13 . 16772 1 1250 . 1 1 114 114 ILE HG21 H 1 0.018 0.004 . 1 . . . . 689 ILE QG2 . 16772 1 1251 . 1 1 114 114 ILE HG22 H 1 0.018 0.004 . 1 . . . . 689 ILE QG2 . 16772 1 1252 . 1 1 114 114 ILE HG23 H 1 0.018 0.004 . 1 . . . . 689 ILE QG2 . 16772 1 1253 . 1 1 114 114 ILE C C 13 174.925 0.200 . 1 . . . . 689 ILE C . 16772 1 1254 . 1 1 114 114 ILE CA C 13 60.834 0.200 . 1 . . . . 689 ILE CA . 16772 1 1255 . 1 1 114 114 ILE CB C 13 40.125 0.200 . 1 . . . . 689 ILE CB . 16772 1 1256 . 1 1 114 114 ILE CD1 C 13 14.825 0.200 . 1 . . . . 689 ILE CD1 . 16772 1 1257 . 1 1 114 114 ILE CG1 C 13 28.144 0.047 . 1 . . . . 689 ILE CG1 . 16772 1 1258 . 1 1 114 114 ILE CG2 C 13 18.571 0.200 . 1 . . . . 689 ILE CG2 . 16772 1 1259 . 1 1 114 114 ILE N N 15 127.655 0.200 . 1 . . . . 689 ILE N . 16772 1 1260 . 1 1 115 115 THR H H 1 8.173 0.020 . 1 . . . . 690 THR H . 16772 1 1261 . 1 1 115 115 THR HA H 1 4.801 0.020 . 1 . . . . 690 THR HA . 16772 1 1262 . 1 1 115 115 THR HB H 1 3.914 0.020 . 1 . . . . 690 THR HB . 16772 1 1263 . 1 1 115 115 THR HG21 H 1 1.146 0.020 . 1 . . . . 690 THR QG2 . 16772 1 1264 . 1 1 115 115 THR HG22 H 1 1.146 0.020 . 1 . . . . 690 THR QG2 . 16772 1 1265 . 1 1 115 115 THR HG23 H 1 1.146 0.020 . 1 . . . . 690 THR QG2 . 16772 1 1266 . 1 1 115 115 THR C C 13 172.764 0.200 . 1 . . . . 690 THR C . 16772 1 1267 . 1 1 115 115 THR CA C 13 62.366 0.200 . 1 . . . . 690 THR CA . 16772 1 1268 . 1 1 115 115 THR CB C 13 70.715 0.200 . 1 . . . . 690 THR CB . 16772 1 1269 . 1 1 115 115 THR CG2 C 13 22.580 0.200 . 1 . . . . 690 THR CG2 . 16772 1 1270 . 1 1 115 115 THR N N 15 122.725 0.200 . 1 . . . . 690 THR N . 16772 1 1271 . 1 1 116 116 PHE H H 1 9.755 0.020 . 1 . . . . 691 PHE H . 16772 1 1272 . 1 1 116 116 PHE HA H 1 5.497 0.020 . 1 . . . . 691 PHE HA . 16772 1 1273 . 1 1 116 116 PHE HB2 H 1 2.503 0.020 . 2 . . . . 691 PHE HB2 . 16772 1 1274 . 1 1 116 116 PHE HB3 H 1 2.816 0.020 . 2 . . . . 691 PHE HB3 . 16772 1 1275 . 1 1 116 116 PHE HD1 H 1 6.616 0.020 . 1 . . . . 691 PHE HD1 . 16772 1 1276 . 1 1 116 116 PHE HD2 H 1 6.616 0.020 . 1 . . . . 691 PHE HD2 . 16772 1 1277 . 1 1 116 116 PHE HE1 H 1 6.095 0.020 . 1 . . . . 691 PHE HE1 . 16772 1 1278 . 1 1 116 116 PHE HE2 H 1 6.095 0.020 . 1 . . . . 691 PHE HE2 . 16772 1 1279 . 1 1 116 116 PHE HZ H 1 6.488 0.020 . 1 . . . . 691 PHE HZ . 16772 1 1280 . 1 1 116 116 PHE C C 13 174.880 0.200 . 1 . . . . 691 PHE C . 16772 1 1281 . 1 1 116 116 PHE CA C 13 56.417 0.200 . 1 . . . . 691 PHE CA . 16772 1 1282 . 1 1 116 116 PHE CB C 13 40.383 0.200 . 1 . . . . 691 PHE CB . 16772 1 1283 . 1 1 116 116 PHE CD1 C 13 132.565 0.200 . 1 . . . . 691 PHE CD1 . 16772 1 1284 . 1 1 116 116 PHE CE1 C 13 130.494 0.200 . 1 . . . . 691 PHE CE1 . 16772 1 1285 . 1 1 116 116 PHE CZ C 13 128.941 0.200 . 1 . . . . 691 PHE CZ . 16772 1 1286 . 1 1 116 116 PHE N N 15 126.820 0.200 . 1 . . . . 691 PHE N . 16772 1 1287 . 1 1 117 117 LEU H H 1 8.193 0.020 . 1 . . . . 692 LEU H . 16772 1 1288 . 1 1 117 117 LEU HA H 1 4.860 0.020 . 1 . . . . 692 LEU HA . 16772 1 1289 . 1 1 117 117 LEU HB2 H 1 1.486 0.020 . 2 . . . . 692 LEU HB2 . 16772 1 1290 . 1 1 117 117 LEU HB3 H 1 1.033 0.020 . 2 . . . . 692 LEU HB3 . 16772 1 1291 . 1 1 117 117 LEU HD11 H 1 0.868 0.020 . 2 . . . . 692 LEU QD1 . 16772 1 1292 . 1 1 117 117 LEU HD12 H 1 0.868 0.020 . 2 . . . . 692 LEU QD1 . 16772 1 1293 . 1 1 117 117 LEU HD13 H 1 0.868 0.020 . 2 . . . . 692 LEU QD1 . 16772 1 1294 . 1 1 117 117 LEU HD21 H 1 0.517 0.020 . 2 . . . . 692 LEU QD2 . 16772 1 1295 . 1 1 117 117 LEU HD22 H 1 0.517 0.020 . 2 . . . . 692 LEU QD2 . 16772 1 1296 . 1 1 117 117 LEU HD23 H 1 0.517 0.020 . 2 . . . . 692 LEU QD2 . 16772 1 1297 . 1 1 117 117 LEU HG H 1 1.294 0.004 . 1 . . . . 692 LEU HG . 16772 1 1298 . 1 1 117 117 LEU C C 13 176.351 0.200 . 1 . . . . 692 LEU C . 16772 1 1299 . 1 1 117 117 LEU CA C 13 52.945 0.200 . 1 . . . . 692 LEU CA . 16772 1 1300 . 1 1 117 117 LEU CB C 13 46.573 0.200 . 1 . . . . 692 LEU CB . 16772 1 1301 . 1 1 117 117 LEU CD1 C 13 25.000 0.200 . 1 . . . . 692 LEU CD1 . 16772 1 1302 . 1 1 117 117 LEU CD2 C 13 26.013 0.200 . 1 . . . . 692 LEU CD2 . 16772 1 1303 . 1 1 117 117 LEU CG C 13 27.631 0.200 . 1 . . . . 692 LEU CG . 16772 1 1304 . 1 1 117 117 LEU N N 15 121.425 0.200 . 1 . . . . 692 LEU N . 16772 1 1305 . 1 1 118 118 CYS H H 1 9.083 0.020 . 1 . . . . 693 CYS H . 16772 1 1306 . 1 1 118 118 CYS HA H 1 4.595 0.020 . 1 . . . . 693 CYS HA . 16772 1 1307 . 1 1 118 118 CYS HB2 H 1 3.364 0.020 . 2 . . . . 693 CYS HB2 . 16772 1 1308 . 1 1 118 118 CYS HB3 H 1 2.872 0.020 . 2 . . . . 693 CYS HB3 . 16772 1 1309 . 1 1 118 118 CYS C C 13 175.961 0.200 . 1 . . . . 693 CYS C . 16772 1 1310 . 1 1 118 118 CYS CA C 13 57.030 0.200 . 1 . . . . 693 CYS CA . 16772 1 1311 . 1 1 118 118 CYS CB C 13 39.370 0.200 . 1 . . . . 693 CYS CB . 16772 1 1312 . 1 1 118 118 CYS N N 15 119.112 0.200 . 1 . . . . 693 CYS N . 16772 1 1313 . 1 1 119 119 ASP H H 1 7.137 0.020 . 1 . . . . 694 ASP H . 16772 1 1314 . 1 1 119 119 ASP HA H 1 4.398 0.020 . 1 . . . . 694 ASP HA . 16772 1 1315 . 1 1 119 119 ASP HB2 H 1 2.873 0.020 . 2 . . . . 694 ASP HB2 . 16772 1 1316 . 1 1 119 119 ASP HB3 H 1 2.792 0.020 . 2 . . . . 694 ASP HB3 . 16772 1 1317 . 1 1 119 119 ASP C C 13 174.085 0.200 . 1 . . . . 694 ASP C . 16772 1 1318 . 1 1 119 119 ASP CA C 13 57.724 0.200 . 1 . . . . 694 ASP CA . 16772 1 1319 . 1 1 119 119 ASP CB C 13 40.721 0.200 . 1 . . . . 694 ASP CB . 16772 1 1320 . 1 1 119 119 ASP N N 15 128.120 0.200 . 1 . . . . 694 ASP N . 16772 1 1321 . 1 1 120 120 ARG H H 1 8.700 0.020 . 1 . . . . 695 ARG H . 16772 1 1322 . 1 1 120 120 ARG HA H 1 4.059 0.020 . 1 . . . . 695 ARG HA . 16772 1 1323 . 1 1 120 120 ARG HB2 H 1 2.700 0.020 . 2 . . . . 695 ARG HB2 . 16772 1 1324 . 1 1 120 120 ARG HB3 H 1 1.678 0.020 . 2 . . . . 695 ARG HB3 . 16772 1 1325 . 1 1 120 120 ARG C C 13 176.150 0.200 . 1 . . . . 695 ARG C . 16772 1 1326 . 1 1 120 120 ARG CA C 13 55.185 0.200 . 1 . . . . 695 ARG CA . 16772 1 1327 . 1 1 120 120 ARG CB C 13 33.050 0.200 . 1 . . . . 695 ARG CB . 16772 1 1328 . 1 1 120 120 ARG N N 15 125.567 0.200 . 1 . . . . 695 ARG N . 16772 1 1329 . 1 1 121 121 ASP H H 1 8.854 0.020 . 1 . . . . 696 ASP H . 16772 1 1330 . 1 1 121 121 ASP C C 13 175.364 0.200 . 1 . . . . 696 ASP C . 16772 1 1331 . 1 1 121 121 ASP N N 15 120.670 0.200 . 1 . . . . 696 ASP N . 16772 1 1332 . 1 1 122 122 ALA H H 1 6.760 0.020 . 1 . . . . 697 ALA H . 16772 1 1333 . 1 1 122 122 ALA C C 13 175.641 0.200 . 1 . . . . 697 ALA C . 16772 1 1334 . 1 1 122 122 ALA N N 15 134.029 0.200 . 1 . . . . 697 ALA N . 16772 1 1335 . 1 1 123 123 GLY H H 1 8.072 0.020 . 1 . . . . 698 GLY H . 16772 1 1336 . 1 1 123 123 GLY HA2 H 1 4.256 0.020 . 2 . . . . 698 GLY HA2 . 16772 1 1337 . 1 1 123 123 GLY HA3 H 1 3.916 0.020 . 2 . . . . 698 GLY HA3 . 16772 1 1338 . 1 1 123 123 GLY C C 13 176.276 0.200 . 1 . . . . 698 GLY C . 16772 1 1339 . 1 1 123 123 GLY CA C 13 45.942 0.200 . 1 . . . . 698 GLY CA . 16772 1 1340 . 1 1 123 123 GLY N N 15 106.347 0.200 . 1 . . . . 698 GLY N . 16772 1 1341 . 1 1 124 124 VAL H H 1 9.127 0.020 . 1 . . . . 699 VAL H . 16772 1 1342 . 1 1 124 124 VAL HA H 1 3.892 0.020 . 1 . . . . 699 VAL HA . 16772 1 1343 . 1 1 124 124 VAL HB H 1 2.526 0.020 . 1 . . . . 699 VAL HB . 16772 1 1344 . 1 1 124 124 VAL HG11 H 1 1.633 0.020 . 2 . . . . 699 VAL QG1 . 16772 1 1345 . 1 1 124 124 VAL HG12 H 1 1.633 0.020 . 2 . . . . 699 VAL QG1 . 16772 1 1346 . 1 1 124 124 VAL HG13 H 1 1.633 0.020 . 2 . . . . 699 VAL QG1 . 16772 1 1347 . 1 1 124 124 VAL HG21 H 1 1.454 0.020 . 2 . . . . 699 VAL QG2 . 16772 1 1348 . 1 1 124 124 VAL HG22 H 1 1.454 0.020 . 2 . . . . 699 VAL QG2 . 16772 1 1349 . 1 1 124 124 VAL HG23 H 1 1.454 0.020 . 2 . . . . 699 VAL QG2 . 16772 1 1350 . 1 1 124 124 VAL C C 13 177.297 0.200 . 1 . . . . 699 VAL C . 16772 1 1351 . 1 1 124 124 VAL CA C 13 67.934 0.200 . 1 . . . . 699 VAL CA . 16772 1 1352 . 1 1 124 124 VAL CB C 13 33.462 0.200 . 1 . . . . 699 VAL CB . 16772 1 1353 . 1 1 124 124 VAL CG1 C 13 21.757 0.200 . 1 . . . . 699 VAL CG1 . 16772 1 1354 . 1 1 124 124 VAL CG2 C 13 23.425 0.200 . 1 . . . . 699 VAL CG2 . 16772 1 1355 . 1 1 124 124 VAL N N 15 128.072 0.200 . 1 . . . . 699 VAL N . 16772 1 1356 . 1 1 125 125 GLY H H 1 7.989 0.020 . 1 . . . . 700 GLY H . 16772 1 1357 . 1 1 125 125 GLY HA2 H 1 4.965 0.020 . 2 . . . . 700 GLY HA2 . 16772 1 1358 . 1 1 125 125 GLY HA3 H 1 4.055 0.020 . 2 . . . . 700 GLY HA3 . 16772 1 1359 . 1 1 125 125 GLY C C 13 172.058 0.200 . 1 . . . . 700 GLY C . 16772 1 1360 . 1 1 125 125 GLY CA C 13 45.284 0.200 . 1 . . . . 700 GLY CA . 16772 1 1361 . 1 1 125 125 GLY N N 15 104.372 0.200 . 1 . . . . 700 GLY N . 16772 1 1362 . 1 1 126 126 PHE H H 1 7.890 0.020 . 1 . . . . 701 PHE H . 16772 1 1363 . 1 1 126 126 PHE HA H 1 4.300 0.020 . 1 . . . . 701 PHE HA . 16772 1 1364 . 1 1 126 126 PHE HB2 H 1 3.034 0.020 . 2 . . . . 701 PHE HB2 . 16772 1 1365 . 1 1 126 126 PHE HZ H 1 7.547 0.020 . 1 . . . . 701 PHE HZ . 16772 1 1366 . 1 1 126 126 PHE CZ C 13 131.789 0.200 . 1 . . . . 701 PHE CZ . 16772 1 1367 . 1 1 126 126 PHE N N 15 117.575 0.049 . 1 . . . . 701 PHE N . 16772 1 1368 . 1 1 127 127 PRO HA H 1 4.053 0.020 . 1 . . . . 702 PRO HA . 16772 1 1369 . 1 1 127 127 PRO HB2 H 1 1.305 0.020 . 2 . . . . 702 PRO HB2 . 16772 1 1370 . 1 1 127 127 PRO HB3 H 1 1.624 0.020 . 2 . . . . 702 PRO HB3 . 16772 1 1371 . 1 1 127 127 PRO HD2 H 1 2.352 0.003 . 2 . . . . 702 PRO HD2 . 16772 1 1372 . 1 1 127 127 PRO HD3 H 1 0.856 0.004 . 2 . . . . 702 PRO HD3 . 16772 1 1373 . 1 1 127 127 PRO HG2 H 1 1.353 0.020 . 2 . . . . 702 PRO HG2 . 16772 1 1374 . 1 1 127 127 PRO HG3 H 1 0.687 0.020 . 2 . . . . 702 PRO HG3 . 16772 1 1375 . 1 1 127 127 PRO C C 13 175.316 0.200 . 1 . . . . 702 PRO C . 16772 1 1376 . 1 1 127 127 PRO CA C 13 62.089 0.200 . 1 . . . . 702 PRO CA . 16772 1 1377 . 1 1 127 127 PRO CB C 13 32.280 0.200 . 1 . . . . 702 PRO CB . 16772 1 1378 . 1 1 127 127 PRO CD C 13 48.339 0.200 . 1 . . . . 702 PRO CD . 16772 1 1379 . 1 1 127 127 PRO CG C 13 26.013 0.200 . 1 . . . . 702 PRO CG . 16772 1 1380 . 1 1 128 128 GLU H H 1 8.994 0.020 . 1 . . . . 703 GLU H . 16772 1 1381 . 1 1 128 128 GLU HA H 1 4.836 0.020 . 1 . . . . 703 GLU HA . 16772 1 1382 . 1 1 128 128 GLU HB2 H 1 2.165 0.020 . 2 . . . . 703 GLU HB2 . 16772 1 1383 . 1 1 128 128 GLU HB3 H 1 2.029 0.020 . 2 . . . . 703 GLU HB3 . 16772 1 1384 . 1 1 128 128 GLU HG2 H 1 2.363 0.020 . 2 . . . . 703 GLU HG2 . 16772 1 1385 . 1 1 128 128 GLU C C 13 176.892 0.200 . 1 . . . . 703 GLU C . 16772 1 1386 . 1 1 128 128 GLU CA C 13 54.834 0.200 . 1 . . . . 703 GLU CA . 16772 1 1387 . 1 1 128 128 GLU CB C 13 33.574 0.200 . 1 . . . . 703 GLU CB . 16772 1 1388 . 1 1 128 128 GLU CG C 13 37.378 0.200 . 1 . . . . 703 GLU CG . 16772 1 1389 . 1 1 128 128 GLU N N 15 117.571 0.200 . 1 . . . . 703 GLU N . 16772 1 1390 . 1 1 129 129 TYR H H 1 9.126 0.020 . 1 . . . . 704 TYR H . 16772 1 1391 . 1 1 129 129 TYR HA H 1 4.059 0.020 . 1 . . . . 704 TYR HA . 16772 1 1392 . 1 1 129 129 TYR HB2 H 1 2.779 0.020 . 2 . . . . 704 TYR HB2 . 16772 1 1393 . 1 1 129 129 TYR HB3 H 1 2.674 0.020 . 2 . . . . 704 TYR HB3 . 16772 1 1394 . 1 1 129 129 TYR HD1 H 1 6.233 0.020 . 1 . . . . 704 TYR HD1 . 16772 1 1395 . 1 1 129 129 TYR HD2 H 1 6.233 0.020 . 1 . . . . 704 TYR HD2 . 16772 1 1396 . 1 1 129 129 TYR HE1 H 1 6.512 0.021 . 1 . . . . 704 TYR HE1 . 16772 1 1397 . 1 1 129 129 TYR HE2 H 1 6.512 0.021 . 1 . . . . 704 TYR HE2 . 16772 1 1398 . 1 1 129 129 TYR C C 13 175.015 0.200 . 1 . . . . 704 TYR C . 16772 1 1399 . 1 1 129 129 TYR CA C 13 58.383 0.200 . 1 . . . . 704 TYR CA . 16772 1 1400 . 1 1 129 129 TYR CB C 13 38.977 0.200 . 1 . . . . 704 TYR CB . 16772 1 1401 . 1 1 129 129 TYR CD1 C 13 132.824 0.200 . 1 . . . . 704 TYR CD1 . 16772 1 1402 . 1 1 129 129 TYR CE1 C 13 118.329 0.200 . 1 . . . . 704 TYR CE1 . 16772 1 1403 . 1 1 129 129 TYR N N 15 126.659 0.200 . 1 . . . . 704 TYR N . 16772 1 1404 . 1 1 130 130 GLN H H 1 7.841 0.020 . 1 . . . . 705 GLN H . 16772 1 1405 . 1 1 130 130 GLN HA H 1 4.261 0.020 . 1 . . . . 705 GLN HA . 16772 1 1406 . 1 1 130 130 GLN HB2 H 1 1.889 0.020 . 2 . . . . 705 GLN HB2 . 16772 1 1407 . 1 1 130 130 GLN HB3 H 1 1.498 0.020 . 2 . . . . 705 GLN HB3 . 16772 1 1408 . 1 1 130 130 GLN HE21 H 1 6.978 0.020 . 2 . . . . 705 GLN HE21 . 16772 1 1409 . 1 1 130 130 GLN HE22 H 1 6.693 0.020 . 2 . . . . 705 GLN HE22 . 16772 1 1410 . 1 1 130 130 GLN HG2 H 1 2.024 0.020 . 2 . . . . 705 GLN HG2 . 16772 1 1411 . 1 1 130 130 GLN HG3 H 1 2.024 0.020 . 2 . . . . 705 GLN HG3 . 16772 1 1412 . 1 1 130 130 GLN C C 13 173.724 0.200 . 1 . . . . 705 GLN C . 16772 1 1413 . 1 1 130 130 GLN CA C 13 55.781 0.200 . 1 . . . . 705 GLN CA . 16772 1 1414 . 1 1 130 130 GLN CB C 13 30.543 0.200 . 1 . . . . 705 GLN CB . 16772 1 1415 . 1 1 130 130 GLN CG C 13 34.426 0.200 . 1 . . . . 705 GLN CG . 16772 1 1416 . 1 1 130 130 GLN N N 15 128.120 0.200 . 1 . . . . 705 GLN N . 16772 1 1417 . 1 1 130 130 GLN NE2 N 15 111.630 0.200 . 1 . . . . 705 GLN NE2 . 16772 1 1418 . 1 1 131 131 GLU H H 1 7.959 0.020 . 1 . . . . 706 GLU H . 16772 1 1419 . 1 1 131 131 GLU HA H 1 3.838 0.020 . 1 . . . . 706 GLU HA . 16772 1 1420 . 1 1 131 131 GLU HB2 H 1 2.135 0.020 . 2 . . . . 706 GLU HB2 . 16772 1 1421 . 1 1 131 131 GLU HB3 H 1 1.924 0.020 . 2 . . . . 706 GLU HB3 . 16772 1 1422 . 1 1 131 131 GLU CA C 13 57.075 0.200 . 1 . . . . 706 GLU CA . 16772 1 1423 . 1 1 131 131 GLU CB C 13 30.543 0.200 . 1 . . . . 706 GLU CB . 16772 1 1424 . 1 1 131 131 GLU N N 15 122.982 0.200 . 1 . . . . 706 GLU N . 16772 1 1425 . 1 1 132 132 GLU HA H 1 4.246 0.020 . 1 . . . . 707 GLU HA . 16772 1 1426 . 1 1 132 132 GLU HB2 H 1 1.978 0.020 . 2 . . . . 707 GLU HB2 . 16772 1 1427 . 1 1 132 132 GLU HG2 H 1 2.251 0.020 . 2 . . . . 707 GLU HG2 . 16772 1 1428 . 1 1 132 132 GLU C C 13 176.426 0.200 . 1 . . . . 707 GLU C . 16772 1 1429 . 1 1 132 132 GLU CA C 13 57.217 0.200 . 1 . . . . 707 GLU CA . 16772 1 1430 . 1 1 132 132 GLU CB C 13 30.874 0.200 . 1 . . . . 707 GLU CB . 16772 1 1431 . 1 1 132 132 GLU CG C 13 36.762 0.200 . 1 . . . . 707 GLU CG . 16772 1 1432 . 1 1 133 133 ASP H H 1 8.183 0.020 . 1 . . . . 708 ASP H . 16772 1 1433 . 1 1 133 133 ASP N N 15 120.686 0.200 . 1 . . . . 708 ASP N . 16772 1 1434 . 1 1 134 134 ASN HA H 1 4.371 0.020 . 1 . . . . 709 ASN HA . 16772 1 1435 . 1 1 134 134 ASN HB2 H 1 2.985 0.020 . 2 . . . . 709 ASN HB2 . 16772 1 1436 . 1 1 134 134 ASN HB3 H 1 2.679 0.020 . 2 . . . . 709 ASN HB3 . 16772 1 1437 . 1 1 134 134 ASN HD21 H 1 7.591 0.020 . 2 . . . . 709 ASN HD21 . 16772 1 1438 . 1 1 134 134 ASN HD22 H 1 6.780 0.020 . 2 . . . . 709 ASN HD22 . 16772 1 1439 . 1 1 134 134 ASN C C 13 175.255 0.200 . 1 . . . . 709 ASN C . 16772 1 1440 . 1 1 134 134 ASN CA C 13 54.679 0.200 . 1 . . . . 709 ASN CA . 16772 1 1441 . 1 1 134 134 ASN CB C 13 38.470 0.200 . 1 . . . . 709 ASN CB . 16772 1 1442 . 1 1 134 134 ASN ND2 N 15 113.219 0.200 . 1 . . . . 709 ASN ND2 . 16772 1 1443 . 1 1 135 135 SER H H 1 8.573 0.020 . 1 . . . . 710 SER H . 16772 1 1444 . 1 1 135 135 SER HA H 1 4.210 0.020 . 1 . . . . 710 SER HA . 16772 1 1445 . 1 1 135 135 SER HB2 H 1 3.981 0.020 . 2 . . . . 710 SER HB2 . 16772 1 1446 . 1 1 135 135 SER C C 13 173.229 0.200 . 1 . . . . 710 SER C . 16772 1 1447 . 1 1 135 135 SER CA C 13 60.350 0.200 . 1 . . . . 710 SER CA . 16772 1 1448 . 1 1 135 135 SER CB C 13 63.681 0.200 . 1 . . . . 710 SER CB . 16772 1 1449 . 1 1 135 135 SER N N 15 111.678 0.200 . 1 . . . . 710 SER N . 16772 1 1450 . 1 1 136 136 THR H H 1 7.751 0.020 . 1 . . . . 711 THR H . 16772 1 1451 . 1 1 136 136 THR HA H 1 5.048 0.020 . 1 . . . . 711 THR HA . 16772 1 1452 . 1 1 136 136 THR HB H 1 4.091 0.020 . 1 . . . . 711 THR HB . 16772 1 1453 . 1 1 136 136 THR HG21 H 1 1.117 0.020 . 1 . . . . 711 THR QG2 . 16772 1 1454 . 1 1 136 136 THR HG22 H 1 1.117 0.020 . 1 . . . . 711 THR QG2 . 16772 1 1455 . 1 1 136 136 THR HG23 H 1 1.117 0.020 . 1 . . . . 711 THR QG2 . 16772 1 1456 . 1 1 136 136 THR C C 13 173.349 0.200 . 1 . . . . 711 THR C . 16772 1 1457 . 1 1 136 136 THR CA C 13 61.856 0.200 . 1 . . . . 711 THR CA . 16772 1 1458 . 1 1 136 136 THR CB C 13 71.278 0.200 . 1 . . . . 711 THR CB . 16772 1 1459 . 1 1 136 136 THR CG2 C 13 22.477 0.200 . 1 . . . . 711 THR CG2 . 16772 1 1460 . 1 1 136 136 THR N N 15 115.708 0.200 . 1 . . . . 711 THR N . 16772 1 1461 . 1 1 137 137 TYR H H 1 9.680 0.020 . 1 . . . . 712 TYR H . 16772 1 1462 . 1 1 137 137 TYR HA H 1 4.442 0.020 . 1 . . . . 712 TYR HA . 16772 1 1463 . 1 1 137 137 TYR HB2 H 1 2.639 0.020 . 2 . . . . 712 TYR HB2 . 16772 1 1464 . 1 1 137 137 TYR HB3 H 1 3.586 0.020 . 2 . . . . 712 TYR HB3 . 16772 1 1465 . 1 1 137 137 TYR HD1 H 1 7.455 0.020 . 1 . . . . 712 TYR HD1 . 16772 1 1466 . 1 1 137 137 TYR HD2 H 1 7.455 0.020 . 1 . . . . 712 TYR HD2 . 16772 1 1467 . 1 1 137 137 TYR HE1 H 1 6.740 0.020 . 1 . . . . 712 TYR HE1 . 16772 1 1468 . 1 1 137 137 TYR HE2 H 1 6.740 0.020 . 1 . . . . 712 TYR HE2 . 16772 1 1469 . 1 1 137 137 TYR C C 13 174.460 0.200 . 1 . . . . 712 TYR C . 16772 1 1470 . 1 1 137 137 TYR CA C 13 58.830 0.200 . 1 . . . . 712 TYR CA . 16772 1 1471 . 1 1 137 137 TYR CB C 13 39.264 0.200 . 1 . . . . 712 TYR CB . 16772 1 1472 . 1 1 137 137 TYR CD1 C 13 133.859 0.200 . 1 . . . . 712 TYR CD1 . 16772 1 1473 . 1 1 137 137 TYR CE1 C 13 119.105 0.200 . 1 . . . . 712 TYR CE1 . 16772 1 1474 . 1 1 137 137 TYR N N 15 127.607 0.200 . 1 . . . . 712 TYR N . 16772 1 1475 . 1 1 138 138 ASN H H 1 8.540 0.020 . 1 . . . . 713 ASN H . 16772 1 1476 . 1 1 138 138 ASN HA H 1 5.639 0.020 . 1 . . . . 713 ASN HA . 16772 1 1477 . 1 1 138 138 ASN HB2 H 1 2.647 0.020 . 2 . . . . 713 ASN HB2 . 16772 1 1478 . 1 1 138 138 ASN HB3 H 1 2.413 0.020 . 2 . . . . 713 ASN HB3 . 16772 1 1479 . 1 1 138 138 ASN HD21 H 1 7.318 0.020 . 2 . . . . 713 ASN HD21 . 16772 1 1480 . 1 1 138 138 ASN HD22 H 1 6.870 0.020 . 2 . . . . 713 ASN HD22 . 16772 1 1481 . 1 1 138 138 ASN C C 13 173.890 0.200 . 1 . . . . 713 ASN C . 16772 1 1482 . 1 1 138 138 ASN CA C 13 53.430 0.200 . 1 . . . . 713 ASN CA . 16772 1 1483 . 1 1 138 138 ASN CB C 13 41.872 0.200 . 1 . . . . 713 ASN CB . 16772 1 1484 . 1 1 138 138 ASN N N 15 122.726 0.200 . 1 . . . . 713 ASN N . 16772 1 1485 . 1 1 138 138 ASN ND2 N 15 113.219 0.200 . 1 . . . . 713 ASN ND2 . 16772 1 1486 . 1 1 139 139 PHE H H 1 8.939 0.020 . 1 . . . . 714 PHE H . 16772 1 1487 . 1 1 139 139 PHE HA H 1 5.258 0.020 . 1 . . . . 714 PHE HA . 16772 1 1488 . 1 1 139 139 PHE HB2 H 1 2.729 0.020 . 2 . . . . 714 PHE HB2 . 16772 1 1489 . 1 1 139 139 PHE HB3 H 1 2.661 0.020 . 2 . . . . 714 PHE HB3 . 16772 1 1490 . 1 1 139 139 PHE HD1 H 1 6.445 0.020 . 1 . . . . 714 PHE HD1 . 16772 1 1491 . 1 1 139 139 PHE HD2 H 1 6.445 0.020 . 1 . . . . 714 PHE HD2 . 16772 1 1492 . 1 1 139 139 PHE HE1 H 1 6.854 0.020 . 1 . . . . 714 PHE HE1 . 16772 1 1493 . 1 1 139 139 PHE HE2 H 1 6.854 0.020 . 1 . . . . 714 PHE HE2 . 16772 1 1494 . 1 1 139 139 PHE HZ H 1 6.934 0.020 . 1 . . . . 714 PHE HZ . 16772 1 1495 . 1 1 139 139 PHE C C 13 174.610 0.200 . 1 . . . . 714 PHE C . 16772 1 1496 . 1 1 139 139 PHE CA C 13 56.520 0.200 . 1 . . . . 714 PHE CA . 16772 1 1497 . 1 1 139 139 PHE CB C 13 43.162 0.200 . 1 . . . . 714 PHE CB . 16772 1 1498 . 1 1 139 139 PHE CD1 C 13 131.271 0.200 . 1 . . . . 714 PHE CD1 . 16772 1 1499 . 1 1 139 139 PHE CE1 C 13 130.753 0.200 . 1 . . . . 714 PHE CE1 . 16772 1 1500 . 1 1 139 139 PHE CZ C 13 128.941 0.200 . 1 . . . . 714 PHE CZ . 16772 1 1501 . 1 1 139 139 PHE N N 15 119.385 0.200 . 1 . . . . 714 PHE N . 16772 1 1502 . 1 1 140 140 ARG H H 1 9.126 0.020 . 1 . . . . 715 ARG H . 16772 1 1503 . 1 1 140 140 ARG HA H 1 5.099 0.020 . 1 . . . . 715 ARG HA . 16772 1 1504 . 1 1 140 140 ARG HB2 H 1 1.697 0.020 . 2 . . . . 715 ARG HB2 . 16772 1 1505 . 1 1 140 140 ARG HB3 H 1 1.593 0.020 . 2 . . . . 715 ARG HB3 . 16772 1 1506 . 1 1 140 140 ARG HD2 H 1 2.997 0.020 . 2 . . . . 715 ARG HD2 . 16772 1 1507 . 1 1 140 140 ARG HG2 H 1 1.343 0.020 . 2 . . . . 715 ARG HG2 . 16772 1 1508 . 1 1 140 140 ARG C C 13 175.120 0.200 . 1 . . . . 715 ARG C . 16772 1 1509 . 1 1 140 140 ARG CA C 13 54.911 0.200 . 1 . . . . 715 ARG CA . 16772 1 1510 . 1 1 140 140 ARG CB C 13 33.903 0.031 . 1 . . . . 715 ARG CB . 16772 1 1511 . 1 1 140 140 ARG CD C 13 44.264 0.200 . 1 . . . . 715 ARG CD . 16772 1 1512 . 1 1 140 140 ARG CG C 13 27.410 0.200 . 1 . . . . 715 ARG CG . 16772 1 1513 . 1 1 140 140 ARG N N 15 123.576 0.200 . 1 . . . . 715 ARG N . 16772 1 1514 . 1 1 141 141 TRP H H 1 8.802 0.020 . 1 . . . . 716 TRP H . 16772 1 1515 . 1 1 141 141 TRP HA H 1 4.949 0.020 . 1 . . . . 716 TRP HA . 16772 1 1516 . 1 1 141 141 TRP HB2 H 1 2.222 0.020 . 2 . . . . 716 TRP HB2 . 16772 1 1517 . 1 1 141 141 TRP HB3 H 1 2.971 0.020 . 2 . . . . 716 TRP HB3 . 16772 1 1518 . 1 1 141 141 TRP HD1 H 1 6.834 0.020 . 1 . . . . 716 TRP HD1 . 16772 1 1519 . 1 1 141 141 TRP HE1 H 1 10.880 0.020 . 1 . . . . 716 TRP HE1 . 16772 1 1520 . 1 1 141 141 TRP HE3 H 1 6.721 0.002 . 1 . . . . 716 TRP HE3 . 16772 1 1521 . 1 1 141 141 TRP HH2 H 1 5.561 0.020 . 1 . . . . 716 TRP HH2 . 16772 1 1522 . 1 1 141 141 TRP HZ2 H 1 6.892 0.020 . 1 . . . . 716 TRP HZ2 . 16772 1 1523 . 1 1 141 141 TRP HZ3 H 1 6.125 0.020 . 1 . . . . 716 TRP HZ3 . 16772 1 1524 . 1 1 141 141 TRP C C 13 175.481 0.200 . 1 . . . . 716 TRP C . 16772 1 1525 . 1 1 141 141 TRP CA C 13 55.933 0.200 . 1 . . . . 716 TRP CA . 16772 1 1526 . 1 1 141 141 TRP CB C 13 31.942 0.200 . 1 . . . . 716 TRP CB . 16772 1 1527 . 1 1 141 141 TRP CD1 C 13 123.764 0.200 . 1 . . . . 716 TRP CD1 . 16772 1 1528 . 1 1 141 141 TRP CE3 C 13 119.623 0.200 . 1 . . . . 716 TRP CE3 . 16772 1 1529 . 1 1 141 141 TRP CH2 C 13 124.800 0.200 . 1 . . . . 716 TRP CH2 . 16772 1 1530 . 1 1 141 141 TRP CZ2 C 13 114.964 0.200 . 1 . . . . 716 TRP CZ2 . 16772 1 1531 . 1 1 141 141 TRP CZ3 C 13 119.623 0.200 . 1 . . . . 716 TRP CZ3 . 16772 1 1532 . 1 1 141 141 TRP N N 15 129.036 0.200 . 1 . . . . 716 TRP N . 16772 1 1533 . 1 1 141 141 TRP NE1 N 15 130.128 0.200 . 1 . . . . 716 TRP NE1 . 16772 1 1534 . 1 1 142 142 TYR H H 1 9.224 0.020 . 1 . . . . 717 TYR H . 16772 1 1535 . 1 1 142 142 TYR HA H 1 5.361 0.020 . 1 . . . . 717 TYR HA . 16772 1 1536 . 1 1 142 142 TYR HB2 H 1 3.017 0.020 . 2 . . . . 717 TYR HB2 . 16772 1 1537 . 1 1 142 142 TYR HB3 H 1 3.078 0.020 . 2 . . . . 717 TYR HB3 . 16772 1 1538 . 1 1 142 142 TYR HD1 H 1 7.138 0.020 . 1 . . . . 717 TYR HD1 . 16772 1 1539 . 1 1 142 142 TYR HD2 H 1 7.138 0.020 . 1 . . . . 717 TYR HD2 . 16772 1 1540 . 1 1 142 142 TYR HE1 H 1 6.822 0.007 . 1 . . . . 717 TYR HE1 . 16772 1 1541 . 1 1 142 142 TYR HE2 H 1 6.822 0.007 . 1 . . . . 717 TYR HE2 . 16772 1 1542 . 1 1 142 142 TYR C C 13 176.321 0.200 . 1 . . . . 717 TYR C . 16772 1 1543 . 1 1 142 142 TYR CA C 13 59.073 0.200 . 1 . . . . 717 TYR CA . 16772 1 1544 . 1 1 142 142 TYR CB C 13 38.920 0.200 . 1 . . . . 717 TYR CB . 16772 1 1545 . 1 1 142 142 TYR CD1 C 13 133.859 0.200 . 1 . . . . 717 TYR CD1 . 16772 1 1546 . 1 1 142 142 TYR CE1 C 13 118.329 0.200 . 1 . . . . 717 TYR CE1 . 16772 1 1547 . 1 1 142 142 TYR N N 15 127.751 0.200 . 1 . . . . 717 TYR N . 16772 1 1548 . 1 1 143 143 THR H H 1 9.338 0.020 . 1 . . . . 718 THR H . 16772 1 1549 . 1 1 143 143 THR HA H 1 5.229 0.020 . 1 . . . . 718 THR HA . 16772 1 1550 . 1 1 143 143 THR HB H 1 4.765 0.020 . 1 . . . . 718 THR HB . 16772 1 1551 . 1 1 143 143 THR HG1 H 1 5.338 0.020 . 1 . . . . 718 THR HG1 . 16772 1 1552 . 1 1 143 143 THR HG21 H 1 1.194 0.020 . 1 . . . . 718 THR QG2 . 16772 1 1553 . 1 1 143 143 THR HG22 H 1 1.194 0.020 . 1 . . . . 718 THR QG2 . 16772 1 1554 . 1 1 143 143 THR HG23 H 1 1.194 0.020 . 1 . . . . 718 THR QG2 . 16772 1 1555 . 1 1 143 143 THR C C 13 174.940 0.200 . 1 . . . . 718 THR C . 16772 1 1556 . 1 1 143 143 THR CA C 13 59.813 0.200 . 1 . . . . 718 THR CA . 16772 1 1557 . 1 1 143 143 THR CB C 13 70.659 0.200 . 1 . . . . 718 THR CB . 16772 1 1558 . 1 1 143 143 THR CG2 C 13 19.085 0.200 . 1 . . . . 718 THR CG2 . 16772 1 1559 . 1 1 143 143 THR N N 15 118.085 0.200 . 1 . . . . 718 THR N . 16772 1 1560 . 1 1 144 144 SER H H 1 9.777 0.020 . 1 . . . . 719 SER H . 16772 1 1561 . 1 1 144 144 SER HA H 1 4.568 0.020 . 1 . . . . 719 SER HA . 16772 1 1562 . 1 1 144 144 SER HB2 H 1 3.977 0.020 . 2 . . . . 719 SER HB2 . 16772 1 1563 . 1 1 144 144 SER HB3 H 1 3.774 0.020 . 2 . . . . 719 SER HB3 . 16772 1 1564 . 1 1 144 144 SER C C 13 177.402 0.200 . 1 . . . . 719 SER C . 16772 1 1565 . 1 1 144 144 SER CA C 13 62.137 0.200 . 1 . . . . 719 SER CA . 16772 1 1566 . 1 1 144 144 SER CB C 13 64.131 0.200 . 1 . . . . 719 SER CB . 16772 1 1567 . 1 1 144 144 SER N N 15 128.907 0.200 . 1 . . . . 719 SER N . 16772 1 1568 . 1 1 145 145 TYR H H 1 8.354 0.020 . 1 . . . . 720 TYR H . 16772 1 1569 . 1 1 145 145 TYR HA H 1 4.323 0.020 . 1 . . . . 720 TYR HA . 16772 1 1570 . 1 1 145 145 TYR HB2 H 1 2.586 0.020 . 2 . . . . 720 TYR HB2 . 16772 1 1571 . 1 1 145 145 TYR HB3 H 1 3.248 0.020 . 2 . . . . 720 TYR HB3 . 16772 1 1572 . 1 1 145 145 TYR HD1 H 1 7.337 0.020 . 1 . . . . 720 TYR HD1 . 16772 1 1573 . 1 1 145 145 TYR HD2 H 1 7.337 0.020 . 1 . . . . 720 TYR HD2 . 16772 1 1574 . 1 1 145 145 TYR HE1 H 1 6.822 0.020 . 1 . . . . 720 TYR HE1 . 16772 1 1575 . 1 1 145 145 TYR HE2 H 1 6.822 0.020 . 1 . . . . 720 TYR HE2 . 16772 1 1576 . 1 1 145 145 TYR C C 13 174.100 0.200 . 1 . . . . 720 TYR C . 16772 1 1577 . 1 1 145 145 TYR CA C 13 61.217 0.200 . 1 . . . . 720 TYR CA . 16772 1 1578 . 1 1 145 145 TYR CB C 13 37.625 0.200 . 1 . . . . 720 TYR CB . 16772 1 1579 . 1 1 145 145 TYR CD1 C 13 133.342 0.200 . 1 . . . . 720 TYR CD1 . 16772 1 1580 . 1 1 145 145 TYR CE1 C 13 118.329 0.200 . 1 . . . . 720 TYR CE1 . 16772 1 1581 . 1 1 145 145 TYR N N 15 119.851 0.200 . 1 . . . . 720 TYR N . 16772 1 1582 . 1 1 146 146 ALA H H 1 6.913 0.020 . 1 . . . . 721 ALA H . 16772 1 1583 . 1 1 146 146 ALA HA H 1 4.462 0.020 . 1 . . . . 721 ALA HA . 16772 1 1584 . 1 1 146 146 ALA HB1 H 1 1.135 0.020 . 1 . . . . 721 ALA QB . 16772 1 1585 . 1 1 146 146 ALA HB2 H 1 1.135 0.020 . 1 . . . . 721 ALA QB . 16772 1 1586 . 1 1 146 146 ALA HB3 H 1 1.135 0.020 . 1 . . . . 721 ALA QB . 16772 1 1587 . 1 1 146 146 ALA C C 13 174.190 0.200 . 1 . . . . 721 ALA C . 16772 1 1588 . 1 1 146 146 ALA CA C 13 50.979 0.200 . 1 . . . . 721 ALA CA . 16772 1 1589 . 1 1 146 146 ALA CB C 13 18.661 0.200 . 1 . . . . 721 ALA CB . 16772 1 1590 . 1 1 146 146 ALA N N 15 118.534 0.200 . 1 . . . . 721 ALA N . 16772 1 1591 . 1 1 147 147 CYS H H 1 7.353 0.020 . 1 . . . . 722 CYS H . 16772 1 1592 . 1 1 147 147 CYS HA H 1 5.159 0.020 . 1 . . . . 722 CYS HA . 16772 1 1593 . 1 1 147 147 CYS HB2 H 1 3.272 0.020 . 2 . . . . 722 CYS HB2 . 16772 1 1594 . 1 1 147 147 CYS HB3 H 1 3.173 0.004 . 2 . . . . 722 CYS HB3 . 16772 1 1595 . 1 1 147 147 CYS CA C 13 52.221 0.200 . 1 . . . . 722 CYS CA . 16772 1 1596 . 1 1 147 147 CYS CB C 13 41.868 0.200 . 1 . . . . 722 CYS CB . 16772 1 1597 . 1 1 147 147 CYS N N 15 117.731 0.200 . 1 . . . . 722 CYS N . 16772 1 1598 . 1 1 148 148 PRO HA H 1 4.280 0.007 . 1 . . . . 723 PRO HA . 16772 1 1599 . 1 1 148 148 PRO HB2 H 1 2.647 0.020 . 2 . . . . 723 PRO HB2 . 16772 1 1600 . 1 1 148 148 PRO HB3 H 1 2.108 0.020 . 2 . . . . 723 PRO HB3 . 16772 1 1601 . 1 1 148 148 PRO HD2 H 1 4.297 0.020 . 2 . . . . 723 PRO HD2 . 16772 1 1602 . 1 1 148 148 PRO HD3 H 1 3.842 0.020 . 2 . . . . 723 PRO HD3 . 16772 1 1603 . 1 1 148 148 PRO HG2 H 1 2.388 0.001 . 2 . . . . 723 PRO HG2 . 16772 1 1604 . 1 1 148 148 PRO HG3 H 1 2.147 0.020 . 2 . . . . 723 PRO HG3 . 16772 1 1605 . 1 1 148 148 PRO CA C 13 64.193 0.200 . 1 . . . . 723 PRO CA . 16772 1 1606 . 1 1 148 148 PRO CB C 13 32.808 0.200 . 1 . . . . 723 PRO CB . 16772 1 1607 . 1 1 148 148 PRO CD C 13 51.898 0.200 . 1 . . . . 723 PRO CD . 16772 1 1608 . 1 1 148 148 PRO CG C 13 28.278 0.200 . 1 . . . . 723 PRO CG . 16772 1 stop_ save_