data_18604 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18604 _Entry.Title ; Solution structure of CCP modules 10-11 of complement factor H ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-20 _Entry.Accession_date 2012-07-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 Elisavet Makou . . . 18604 2 H. Mertens . D.T. . 18604 3 M. Maciejewski . . . 18604 4 D. Soares . C. . 18604 5 I. Matis . . . 18604 6 C. Schmidt . Q. . 18604 7 A. Herbert . P. . 18604 8 D. Svergun . I. . 18604 9 P. Barlow . N. . 18604 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' . 18604 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . MAKOUGroup . 18604 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Complement system' . 18604 'IMMUNE SYSTEM' . 18604 NMR . 18604 'Protein domain' . 18604 SAXS . 18604 'Short consensus repeat' . 18604 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18604 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 568 18604 '15N chemical shifts' 123 18604 '1H chemical shifts' 876 18604 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-19 2012-07-20 update BMRB 'update entry citation' 18604 1 . . 2012-10-18 2012-07-20 original author 'original release' 18604 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18604 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23017427 _Citation.Full_citation . _Citation.Title 'Solution structure of CCP modules 10-12 illuminates functional architecture of the complement regulator, factor H.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 424 _Citation.Journal_issue 5 _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 295 _Citation.Page_last 312 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Elisavet Makou . . . 18604 1 2 Haydyn Mertens . D.T. . 18604 1 3 Mateusz Maciejewski . . . 18604 1 4 Dinesh Soares . C. . 18604 1 5 Ilias Matis . . . 18604 1 6 Christoph Schmidt . Q. . 18604 1 7 Andrew Herbert . P. . 18604 1 8 Dmitri Svergun . I. . 18604 1 9 Paul Barlow . N. . 18604 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18604 _Assembly.ID 1 _Assembly.Name 'Solution structure of CCP modules 10-11 of complement factor H' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 14159.1579 _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 'COMPLEMENT FACTOR H' 1 $COMPLEMENT_FACTOR_H A . yes native no no . . . 18604 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 8 8 SG . 1 . 1 CYS 50 50 SG . 'COMPLEMENT FACTOR H' 8 CYS SG . 'COMPLEMENT FACTOR H' 50 CYS SG 18604 1 2 disulfide single . 1 . 1 CYS 98 98 SG . 1 . 1 CYS 123 123 SG . 'COMPLEMENT FACTOR H' 98 CYS SG . 'COMPLEMENT FACTOR H' 123 CYS SG 18604 1 3 disulfide single . 1 . 1 CYS 69 69 SG . 1 . 1 CYS 112 112 SG . 'COMPLEMENT FACTOR H' 69 CYS SG . 'COMPLEMENT FACTOR H' 112 CYS SG 18604 1 4 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 62 62 SG . 'COMPLEMENT FACTOR H' 36 CYS SG . 'COMPLEMENT FACTOR H' 62 CYS SG 18604 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes UNIPROT P08603 . . . . . . 18604 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_COMPLEMENT_FACTOR_H _Entity.Sf_category entity _Entity.Sf_framecode COMPLEMENT_FACTOR_H _Entity.Entry_ID 18604 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name COMPLEMENT_FACTOR_H _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 ; EAAGERECELPKIDVHLVPD RKKDQYKVGEVLKFSCKPGF TIVGPNSVQCYHFGLSPDLP ICKEQVQSCGPPPELLNGNV KEKTKEEYGHSEVVEYYCNP RFLMKGPNKIQCVDGEWTTL PVCIVE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment 'Residues 566-687, CCPs 10-11' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14159.1579 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP CFAH_HUMAN . P08603 . . . . . . . . . . . . . . 18604 1 2 no PDB 4B2R . "Solution Structure Of Ccp Modules 10-11 Of Complement Factor H" . . . . . 100.00 126 100.00 100.00 3.00e-85 . . . . 18604 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 1 562 GLU . 18604 1 2 563 ALA . 18604 1 3 564 ALA . 18604 1 4 565 GLY . 18604 1 5 566 GLU . 18604 1 6 567 ARG . 18604 1 7 568 GLU . 18604 1 8 569 CYS . 18604 1 9 570 GLU . 18604 1 10 571 LEU . 18604 1 11 572 PRO . 18604 1 12 573 LYS . 18604 1 13 574 ILE . 18604 1 14 575 ASP . 18604 1 15 576 VAL . 18604 1 16 577 HIS . 18604 1 17 578 LEU . 18604 1 18 579 VAL . 18604 1 19 580 PRO . 18604 1 20 581 ASP . 18604 1 21 582 ARG . 18604 1 22 583 LYS . 18604 1 23 584 LYS . 18604 1 24 585 ASP . 18604 1 25 586 GLN . 18604 1 26 587 TYR . 18604 1 27 588 LYS . 18604 1 28 589 VAL . 18604 1 29 590 GLY . 18604 1 30 591 GLU . 18604 1 31 592 VAL . 18604 1 32 593 LEU . 18604 1 33 594 LYS . 18604 1 34 595 PHE . 18604 1 35 596 SER . 18604 1 36 597 CYS . 18604 1 37 598 LYS . 18604 1 38 599 PRO . 18604 1 39 600 GLY . 18604 1 40 601 PHE . 18604 1 41 602 THR . 18604 1 42 603 ILE . 18604 1 43 604 VAL . 18604 1 44 605 GLY . 18604 1 45 606 PRO . 18604 1 46 607 ASN . 18604 1 47 608 SER . 18604 1 48 609 VAL . 18604 1 49 610 GLN . 18604 1 50 611 CYS . 18604 1 51 612 TYR . 18604 1 52 613 HIS . 18604 1 53 614 PHE . 18604 1 54 615 GLY . 18604 1 55 616 LEU . 18604 1 56 617 SER . 18604 1 57 618 PRO . 18604 1 58 619 ASP . 18604 1 59 620 LEU . 18604 1 60 621 PRO . 18604 1 61 622 ILE . 18604 1 62 623 CYS . 18604 1 63 624 LYS . 18604 1 64 625 GLU . 18604 1 65 626 GLN . 18604 1 66 627 VAL . 18604 1 67 628 GLN . 18604 1 68 629 SER . 18604 1 69 630 CYS . 18604 1 70 631 GLY . 18604 1 71 632 PRO . 18604 1 72 633 PRO . 18604 1 73 634 PRO . 18604 1 74 635 GLU . 18604 1 75 636 LEU . 18604 1 76 637 LEU . 18604 1 77 638 ASN . 18604 1 78 639 GLY . 18604 1 79 640 ASN . 18604 1 80 641 VAL . 18604 1 81 642 LYS . 18604 1 82 643 GLU . 18604 1 83 644 LYS . 18604 1 84 645 THR . 18604 1 85 646 LYS . 18604 1 86 647 GLU . 18604 1 87 648 GLU . 18604 1 88 649 TYR . 18604 1 89 650 GLY . 18604 1 90 651 HIS . 18604 1 91 652 SER . 18604 1 92 653 GLU . 18604 1 93 654 VAL . 18604 1 94 655 VAL . 18604 1 95 656 GLU . 18604 1 96 657 TYR . 18604 1 97 658 TYR . 18604 1 98 659 CYS . 18604 1 99 660 ASN . 18604 1 100 661 PRO . 18604 1 101 662 ARG . 18604 1 102 663 PHE . 18604 1 103 664 LEU . 18604 1 104 665 MET . 18604 1 105 666 LYS . 18604 1 106 667 GLY . 18604 1 107 668 PRO . 18604 1 108 669 ASN . 18604 1 109 670 LYS . 18604 1 110 671 ILE . 18604 1 111 672 GLN . 18604 1 112 673 CYS . 18604 1 113 674 VAL . 18604 1 114 675 ASP . 18604 1 115 676 GLY . 18604 1 116 677 GLU . 18604 1 117 678 TRP . 18604 1 118 679 THR . 18604 1 119 680 THR . 18604 1 120 681 LEU . 18604 1 121 682 PRO . 18604 1 122 683 VAL . 18604 1 123 684 CYS . 18604 1 124 685 ILE . 18604 1 125 686 VAL . 18604 1 126 687 GLU . 18604 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 18604 1 . ALA 2 2 18604 1 . ALA 3 3 18604 1 . GLY 4 4 18604 1 . GLU 5 5 18604 1 . ARG 6 6 18604 1 . GLU 7 7 18604 1 . CYS 8 8 18604 1 . GLU 9 9 18604 1 . LEU 10 10 18604 1 . PRO 11 11 18604 1 . LYS 12 12 18604 1 . ILE 13 13 18604 1 . ASP 14 14 18604 1 . VAL 15 15 18604 1 . HIS 16 16 18604 1 . LEU 17 17 18604 1 . VAL 18 18 18604 1 . PRO 19 19 18604 1 . ASP 20 20 18604 1 . ARG 21 21 18604 1 . LYS 22 22 18604 1 . LYS 23 23 18604 1 . ASP 24 24 18604 1 . GLN 25 25 18604 1 . TYR 26 26 18604 1 . LYS 27 27 18604 1 . VAL 28 28 18604 1 . GLY 29 29 18604 1 . GLU 30 30 18604 1 . VAL 31 31 18604 1 . LEU 32 32 18604 1 . LYS 33 33 18604 1 . PHE 34 34 18604 1 . SER 35 35 18604 1 . CYS 36 36 18604 1 . LYS 37 37 18604 1 . PRO 38 38 18604 1 . GLY 39 39 18604 1 . PHE 40 40 18604 1 . THR 41 41 18604 1 . ILE 42 42 18604 1 . VAL 43 43 18604 1 . GLY 44 44 18604 1 . PRO 45 45 18604 1 . ASN 46 46 18604 1 . SER 47 47 18604 1 . VAL 48 48 18604 1 . GLN 49 49 18604 1 . CYS 50 50 18604 1 . TYR 51 51 18604 1 . HIS 52 52 18604 1 . PHE 53 53 18604 1 . GLY 54 54 18604 1 . LEU 55 55 18604 1 . SER 56 56 18604 1 . PRO 57 57 18604 1 . ASP 58 58 18604 1 . LEU 59 59 18604 1 . PRO 60 60 18604 1 . ILE 61 61 18604 1 . CYS 62 62 18604 1 . LYS 63 63 18604 1 . GLU 64 64 18604 1 . GLN 65 65 18604 1 . VAL 66 66 18604 1 . GLN 67 67 18604 1 . SER 68 68 18604 1 . CYS 69 69 18604 1 . GLY 70 70 18604 1 . PRO 71 71 18604 1 . PRO 72 72 18604 1 . PRO 73 73 18604 1 . GLU 74 74 18604 1 . LEU 75 75 18604 1 . LEU 76 76 18604 1 . ASN 77 77 18604 1 . GLY 78 78 18604 1 . ASN 79 79 18604 1 . VAL 80 80 18604 1 . LYS 81 81 18604 1 . GLU 82 82 18604 1 . LYS 83 83 18604 1 . THR 84 84 18604 1 . LYS 85 85 18604 1 . GLU 86 86 18604 1 . GLU 87 87 18604 1 . TYR 88 88 18604 1 . GLY 89 89 18604 1 . HIS 90 90 18604 1 . SER 91 91 18604 1 . GLU 92 92 18604 1 . VAL 93 93 18604 1 . VAL 94 94 18604 1 . GLU 95 95 18604 1 . TYR 96 96 18604 1 . TYR 97 97 18604 1 . CYS 98 98 18604 1 . ASN 99 99 18604 1 . PRO 100 100 18604 1 . ARG 101 101 18604 1 . PHE 102 102 18604 1 . LEU 103 103 18604 1 . MET 104 104 18604 1 . LYS 105 105 18604 1 . GLY 106 106 18604 1 . PRO 107 107 18604 1 . ASN 108 108 18604 1 . LYS 109 109 18604 1 . ILE 110 110 18604 1 . GLN 111 111 18604 1 . CYS 112 112 18604 1 . VAL 113 113 18604 1 . ASP 114 114 18604 1 . GLY 115 115 18604 1 . GLU 116 116 18604 1 . TRP 117 117 18604 1 . THR 118 118 18604 1 . THR 119 119 18604 1 . LEU 120 120 18604 1 . PRO 121 121 18604 1 . VAL 122 122 18604 1 . CYS 123 123 18604 1 . ILE 124 124 18604 1 . VAL 125 125 18604 1 . GLU 126 126 18604 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 18604 _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 $COMPLEMENT_FACTOR_H . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18604 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 18604 _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 $COMPLEMENT_FACTOR_H . 'recombinant technology' 'Pichia pastoris' 'Pichia pastoris' . . Pichia pastoris KM71H . . . . . . . . . . . . . . . pPICZaB . . . . . . 18604 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18604 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FH10-11 0.000400 M' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'COMPLEMENT FACTOR H' '[U-13C; U-15N]' . . 1 $COMPLEMENT_FACTOR_H . . 0.4 . . mM . . . . 18604 1 2 'potassium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 18604 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18604 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18604 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18604 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FH10-11 0.000540 M' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'COMPLEMENT FACTOR H' '[U-13C; U-15N]' . . 1 $COMPLEMENT_FACTOR_H . . 0.54 . . mM . . . . 18604 2 2 'potassium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 18604 2 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18604 2 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18604 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18604 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FH10-11 0.000150 M' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'COMPLEMENT FACTOR H' '[U-13C; U-15N]' . . 1 $COMPLEMENT_FACTOR_H . . 0.15 . . mM . . . . 18604 3 2 'potassium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 18604 3 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18604 3 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18604 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 18604 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'FH10-11 0.000500 M' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'COMPLEMENT FACTOR H' '[U-13C; U-15N]' . . 1 $COMPLEMENT_FACTOR_H . . 0.5 . . mM . . . . 18604 4 2 'potassium phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 18604 4 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18604 4 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18604 4 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 18604 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'pH [6.7], temp [298.0], pressure [1.0], ionStrength [0.02]' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.020 . mM 18604 1 pH 6.700 . pH 18604 1 pressure 1.000 . atm 18604 1 temperature 298.000 . K 18604 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 18604 _Software.ID 1 _Software.Name AZARA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 18604 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18604 1 stop_ save_ save_AutoDep _Software.Sf_category software _Software.Sf_framecode AutoDep _Software.Entry_ID 18604 _Software.ID 2 _Software.Name AutoDep _Software.Version 4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID PDBe . . 18604 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18604 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18604 _Software.ID 3 _Software.Name CNS _Software.Version 1.2 _Software.Details 'The structure was refined in explicit water in CNS. Refinement details can be found in the JRNL citation above.' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- . . 18604 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18604 3 stop_ save_ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 18604 _Software.ID 4 _Software.Name ANALYSIS _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18604 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18604 4 stop_ save_ save_Molmol_2K. _Software.Sf_category software _Software.Sf_framecode Molmol_2K. _Software.Entry_ID 18604 _Software.ID 5 _Software.Name Molmol_2K. _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 18604 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18604 5 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 18604 _Software.ID 6 _Software.Name ProcheckNMR _Software.Version 3.4.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 18604 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18604 6 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18604 _Software.ID 7 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18604 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18604 7 stop_ save_ save_Simulated_annealing _Method.Sf_category method _Method.Sf_framecode Simulated_annealing _Method.Entry_ID 18604 _Method.ID 1 _Method.Derivation_type . _Method.Details 'Simulated annealing' _Method.Computer_ID . _Method.Computer_label . 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 18604 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18604 _NMR_spectrometer.ID 2 _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 18604 _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 . 800 . . . 18604 1 2 spectrometer_2 Bruker Avance . 600 . . . 18604 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 18604 _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 CbCANH no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 2 CbCaCONH no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 3 HNCACO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 4 HNCO no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 5 HbHaCONH no . . . . . . . . . . 1 $sample_1 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 6 '15N HSQC' no . . . . . . . . . . 2 $sample_2 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 7 c_cconh no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 8 h_cconh no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 9 hcch_tocsy no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 10 'HSQC CH' no . . . . . . . . . . 3 $sample_3 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 11 15N_NOESY no . . . . . . . . . . 4 $sample_4 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 12 CH_AROM_HSQC no . . . . . . . . . . 4 $sample_4 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 13 HB_HD no . . . . . . . . . . 4 $sample_4 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 14 HB_HE no . . . . . . . . . . 4 $sample_4 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 1 15 '13C_NOESY D2O' no . . . . . . . . . . 4 $sample_4 solution . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18604 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 18604 _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 0.0 external indirect 0.251449530 . . . . . . . . . 18604 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1.000000000 . . . . . . . . . 18604 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . . . . . 18604 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 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 18604 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4b2r/ebi/EBI-53341.csh' _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 CbCANH 1 $sample_1 solution 18604 1 2 CbCaCONH 1 $sample_1 solution 18604 1 3 HNCACO 1 $sample_1 solution 18604 1 4 HNCO 1 $sample_1 solution 18604 1 5 HbHaCONH 1 $sample_1 solution 18604 1 6 '15N HSQC' 2 $sample_2 solution 18604 1 7 c_cconh 3 $sample_3 solution 18604 1 8 h_cconh 3 $sample_3 solution 18604 1 9 hcch_tocsy 3 $sample_3 solution 18604 1 10 'HSQC CH' 3 $sample_3 solution 18604 1 11 15N_NOESY 4 $sample_4 solution 18604 1 12 CH_AROM_HSQC 4 $sample_4 solution 18604 1 13 HB_HD 4 $sample_4 solution 18604 1 14 HB_HE 4 $sample_4 solution 18604 1 15 '13C_NOESY D2O' 4 $sample_4 solution 18604 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 1 1 GLU HA H 1 4.205 0.008 . 1 . 817 . . 562 GLU HA . 18604 1 2 . 1 1 1 1 GLU HB2 H 1 1.931 0.003 . 2 . 819 . . 562 GLU HB2 . 18604 1 3 . 1 1 1 1 GLU HB3 H 1 2.009 0.001 . 2 . 818 . . 562 GLU HB3 . 18604 1 4 . 1 1 1 1 GLU HG2 H 1 2.275 0.003 . 1 . 821 . . 562 GLU HG2 . 18604 1 5 . 1 1 1 1 GLU HG3 H 1 2.275 0.003 . 1 . 820 . . 562 GLU HG3 . 18604 1 6 . 1 1 1 1 GLU C C 13 176.341 0.05 . 1 . 1319 . . 562 GLU C . 18604 1 7 . 1 1 1 1 GLU CA C 13 56.761 0.035 . 1 . 814 . . 562 GLU CA . 18604 1 8 . 1 1 1 1 GLU CB C 13 30.200 0.032 . 1 . 815 . . 562 GLU CB . 18604 1 9 . 1 1 1 1 GLU CG C 13 36.227 0.05 . 1 . 816 . . 562 GLU CG . 18604 1 10 . 1 1 1 1 GLU N N 15 120.999 0.008 . 1 . 117 . . 562 GLU N . 18604 1 11 . 1 1 2 2 ALA H H 1 8.387 0.003 . 1 . 171 . . 563 ALA H . 18604 1 12 . 1 1 2 2 ALA HA H 1 4.287 0.003 . 1 . 824 . . 563 ALA HA . 18604 1 13 . 1 1 2 2 ALA HB1 H 1 1.351 0.005 . 1 . 825 . . 563 ALA HB1 . 18604 1 14 . 1 1 2 2 ALA HB2 H 1 1.351 0.005 . 1 . 825 . . 563 ALA HB2 . 18604 1 15 . 1 1 2 2 ALA HB3 H 1 1.351 0.005 . 1 . 825 . . 563 ALA HB3 . 18604 1 16 . 1 1 2 2 ALA C C 13 177.408 0.05 . 1 . 1320 . . 563 ALA C . 18604 1 17 . 1 1 2 2 ALA CA C 13 52.441 0.052 . 1 . 286 . . 563 ALA CA . 18604 1 18 . 1 1 2 2 ALA CB C 13 19.216 0.094 . 1 . 287 . . 563 ALA CB . 18604 1 19 . 1 1 2 2 ALA N N 15 125.626 0.052 . 1 . 172 . . 563 ALA N . 18604 1 20 . 1 1 3 3 ALA H H 1 8.316 0.001 . 1 . 196 . . 564 ALA H . 18604 1 21 . 1 1 3 3 ALA HA H 1 4.304 0.007 . 1 . 827 . . 564 ALA HA . 18604 1 22 . 1 1 3 3 ALA HB1 H 1 1.377 0.008 . 1 . 828 . . 564 ALA HB1 . 18604 1 23 . 1 1 3 3 ALA HB2 H 1 1.377 0.008 . 1 . 828 . . 564 ALA HB2 . 18604 1 24 . 1 1 3 3 ALA HB3 H 1 1.377 0.008 . 1 . 828 . . 564 ALA HB3 . 18604 1 25 . 1 1 3 3 ALA C C 13 178.238 0.05 . 1 . 1321 . . 564 ALA C . 18604 1 26 . 1 1 3 3 ALA CA C 13 52.760 0.037 . 1 . 823 . . 564 ALA CA . 18604 1 27 . 1 1 3 3 ALA CB C 13 19.220 0.057 . 1 . 822 . . 564 ALA CB . 18604 1 28 . 1 1 3 3 ALA N N 15 123.829 0.029 . 1 . 197 . . 564 ALA N . 18604 1 29 . 1 1 4 4 GLY H H 1 8.378 0.001 . 1 . 32 . . 565 GLY H . 18604 1 30 . 1 1 4 4 GLY HA2 H 1 3.942 0.005 . 2 . 832 . . 565 GLY HA2 . 18604 1 31 . 1 1 4 4 GLY HA3 H 1 4.004 0.001 . 2 . 831 . . 565 GLY HA3 . 18604 1 32 . 1 1 4 4 GLY C C 13 173.962 0.05 . 1 . 1322 . . 565 GLY C . 18604 1 33 . 1 1 4 4 GLY CA C 13 45.278 0.045 . 1 . 826 . . 565 GLY CA . 18604 1 34 . 1 1 4 4 GLY N N 15 108.336 0.039 . 1 . 33 . . 565 GLY N . 18604 1 35 . 1 1 5 5 GLU H H 1 8.586 0.001 . 1 . 114 . . 566 GLU H . 18604 1 36 . 1 1 5 5 GLU HA H 1 4.297 0.002 . 1 . 836 . . 566 GLU HA . 18604 1 37 . 1 1 5 5 GLU HB2 H 1 2.026 0.002 . 1 . 838 . . 566 GLU HB2 . 18604 1 38 . 1 1 5 5 GLU HB3 H 1 2.026 0.002 . 1 . 837 . . 566 GLU HB3 . 18604 1 39 . 1 1 5 5 GLU HG2 H 1 2.251 0.01 . 1 . 840 . . 566 GLU HG2 . 18604 1 40 . 1 1 5 5 GLU HG3 H 1 2.251 0.01 . 1 . 839 . . 566 GLU HG3 . 18604 1 41 . 1 1 5 5 GLU C C 13 176.492 0.05 . 1 . 1323 . . 566 GLU C . 18604 1 42 . 1 1 5 5 GLU CA C 13 57.135 0.018 . 1 . 829 . . 566 GLU CA . 18604 1 43 . 1 1 5 5 GLU CB C 13 30.082 0.09 . 1 . 830 . . 566 GLU CB . 18604 1 44 . 1 1 5 5 GLU CG C 13 36.433 0.053 . 1 . 835 . . 566 GLU CG . 18604 1 45 . 1 1 5 5 GLU N N 15 120.795 0.002 . 1 . 115 . . 566 GLU N . 18604 1 46 . 1 1 6 6 ARG H H 1 8.566 0.002 . 1 . 150 . . 567 ARG H . 18604 1 47 . 1 1 6 6 ARG HA H 1 4.303 0.001 . 1 . 842 . . 567 ARG HA . 18604 1 48 . 1 1 6 6 ARG HB2 H 1 1.789 0.001 . 2 . 844 . . 567 ARG HB2 . 18604 1 49 . 1 1 6 6 ARG HB3 H 1 1.881 0.001 . 2 . 843 . . 567 ARG HB3 . 18604 1 50 . 1 1 6 6 ARG HG2 H 1 1.308 0.002 . 2 . 1153 . . 567 ARG HG2 . 18604 1 51 . 1 1 6 6 ARG HG3 H 1 1.434 0.001 . 2 . 1152 . . 567 ARG HG3 . 18604 1 52 . 1 1 6 6 ARG HD2 H 1 2.980 0.009 . 1 . 1150 . . 567 ARG HD2 . 18604 1 53 . 1 1 6 6 ARG HD3 H 1 2.980 0.009 . 1 . 1149 . . 567 ARG HD3 . 18604 1 54 . 1 1 6 6 ARG C C 13 173.959 0.05 . 1 . 1324 . . 567 ARG C . 18604 1 55 . 1 1 6 6 ARG CA C 13 56.133 0.014 . 1 . 833 . . 567 ARG CA . 18604 1 56 . 1 1 6 6 ARG CB C 13 30.491 0.013 . 1 . 834 . . 567 ARG CB . 18604 1 57 . 1 1 6 6 ARG CG C 13 24.877 0.038 . 1 . 1151 . . 567 ARG CG . 18604 1 58 . 1 1 6 6 ARG CD C 13 42.398 0.05 . 1 . 1148 . . 567 ARG CD . 18604 1 59 . 1 1 6 6 ARG N N 15 121.996 0.014 . 1 . 151 . . 567 ARG N . 18604 1 60 . 1 1 7 7 GLU H H 1 8.214 0.012 . 1 . 154 . . 568 GLU H . 18604 1 61 . 1 1 7 7 GLU HA H 1 4.708 0.003 . 1 . 729 . . 568 GLU HA . 18604 1 62 . 1 1 7 7 GLU HB2 H 1 1.766 0.001 . 2 . 731 . . 568 GLU HB2 . 18604 1 63 . 1 1 7 7 GLU HB3 H 1 2.027 0.001 . 2 . 730 . . 568 GLU HB3 . 18604 1 64 . 1 1 7 7 GLU HG2 H 1 2.131 0.029 . 1 . 733 . . 568 GLU HG2 . 18604 1 65 . 1 1 7 7 GLU HG3 H 1 2.131 0.029 . 1 . 732 . . 568 GLU HG3 . 18604 1 66 . 1 1 7 7 GLU C C 13 176.887 0.05 . 1 . 1325 . . 568 GLU C . 18604 1 67 . 1 1 7 7 GLU CA C 13 55.761 0.076 . 1 . 726 . . 568 GLU CA . 18604 1 68 . 1 1 7 7 GLU CB C 13 32.247 0.084 . 1 . 727 . . 568 GLU CB . 18604 1 69 . 1 1 7 7 GLU CG C 13 36.833 0.06 . 1 . 728 . . 568 GLU CG . 18604 1 70 . 1 1 7 7 GLU N N 15 120.648 0.035 . 1 . 155 . . 568 GLU N . 18604 1 71 . 1 1 8 8 CYS H H 1 9.391 0.002 . 1 . 7 . . 569 CYS H . 18604 1 72 . 1 1 8 8 CYS HA H 1 4.752 0.003 . 1 . 734 . . 569 CYS HA . 18604 1 73 . 1 1 8 8 CYS HB2 H 1 2.734 0.007 . 2 . 736 . . 569 CYS HB2 . 18604 1 74 . 1 1 8 8 CYS HB3 H 1 3.161 0.004 . 2 . 735 . . 569 CYS HB3 . 18604 1 75 . 1 1 8 8 CYS C C 13 173.863 0.05 . 1 . 1326 . . 569 CYS C . 18604 1 76 . 1 1 8 8 CYS CA C 13 56.924 0.127 . 1 . 273 . . 569 CYS CA . 18604 1 77 . 1 1 8 8 CYS CB C 13 44.544 0.068 . 1 . 274 . . 569 CYS CB . 18604 1 78 . 1 1 8 8 CYS N N 15 117.305 0.053 . 1 . 8 . . 569 CYS N . 18604 1 79 . 1 1 9 9 GLU H H 1 8.588 0.003 . 1 . 138 . . 570 GLU H . 18604 1 80 . 1 1 9 9 GLU HA H 1 4.718 0.002 . 1 . 740 . . 570 GLU HA . 18604 1 81 . 1 1 9 9 GLU HB2 H 1 1.939 0.001 . 2 . 742 . . 570 GLU HB2 . 18604 1 82 . 1 1 9 9 GLU HB3 H 1 2.061 0.001 . 2 . 741 . . 570 GLU HB3 . 18604 1 83 . 1 1 9 9 GLU HG2 H 1 2.240 0.001 . 2 . 1040 . . 570 GLU HG2 . 18604 1 84 . 1 1 9 9 GLU HG3 H 1 2.309 0.008 . 2 . 743 . . 570 GLU HG3 . 18604 1 85 . 1 1 9 9 GLU C C 13 175.697 0.05 . 1 . 1327 . . 570 GLU C . 18604 1 86 . 1 1 9 9 GLU CA C 13 55.212 0.086 . 1 . 275 . . 570 GLU CA . 18604 1 87 . 1 1 9 9 GLU CB C 13 31.956 0.024 . 1 . 276 . . 570 GLU CB . 18604 1 88 . 1 1 9 9 GLU CG C 13 36.298 0.062 . 1 . 739 . . 570 GLU CG . 18604 1 89 . 1 1 9 9 GLU N N 15 122.959 0.036 . 1 . 139 . . 570 GLU N . 18604 1 90 . 1 1 10 10 LEU H H 1 8.650 0.003 . 1 . 69 . . 571 LEU H . 18604 1 91 . 1 1 10 10 LEU HA H 1 4.532 0.003 . 1 . 896 . . 571 LEU HA . 18604 1 92 . 1 1 10 10 LEU HB2 H 1 1.903 0.005 . 2 . 897 . . 571 LEU HB2 . 18604 1 93 . 1 1 10 10 LEU HB3 H 1 1.767 0.002 . 2 . 898 . . 571 LEU HB3 . 18604 1 94 . 1 1 10 10 LEU HG H 1 1.988 0.002 . 1 . 1059 . . 571 LEU HG . 18604 1 95 . 1 1 10 10 LEU HD11 H 1 1.015 0.003 . 2 . 900 . . 571 LEU HD11 . 18604 1 96 . 1 1 10 10 LEU HD12 H 1 1.015 0.003 . 2 . 900 . . 571 LEU HD12 . 18604 1 97 . 1 1 10 10 LEU HD13 H 1 1.015 0.003 . 2 . 900 . . 571 LEU HD13 . 18604 1 98 . 1 1 10 10 LEU HD21 H 1 1.069 0.002 . 2 . 899 . . 571 LEU HD21 . 18604 1 99 . 1 1 10 10 LEU HD22 H 1 1.069 0.002 . 2 . 899 . . 571 LEU HD22 . 18604 1 100 . 1 1 10 10 LEU HD23 H 1 1.069 0.002 . 2 . 899 . . 571 LEU HD23 . 18604 1 101 . 1 1 10 10 LEU C C 13 175.356 0.05 . 1 . 1334 . . 571 LEU C . 18604 1 102 . 1 1 10 10 LEU CA C 13 53.098 0.052 . 1 . 737 . . 571 LEU CA . 18604 1 103 . 1 1 10 10 LEU CB C 13 42.471 0.097 . 1 . 738 . . 571 LEU CB . 18604 1 104 . 1 1 10 10 LEU CG C 13 26.712 0.047 . 1 . 1060 . . 571 LEU CG . 18604 1 105 . 1 1 10 10 LEU CD1 C 13 25.338 0.043 . 2 . 902 . . 571 LEU CD1 . 18604 1 106 . 1 1 10 10 LEU CD2 C 13 24.992 0.032 . 2 . 901 . . 571 LEU CD2 . 18604 1 107 . 1 1 10 10 LEU N N 15 125.338 0.05 . 1 . 70 . . 571 LEU N . 18604 1 108 . 1 1 11 11 PRO HA H 1 4.698 0.003 . 1 . 791 . . 572 PRO HA . 18604 1 109 . 1 1 11 11 PRO HB2 H 1 2.061 0.007 . 2 . 793 . . 572 PRO HB2 . 18604 1 110 . 1 1 11 11 PRO HB3 H 1 2.243 0.003 . 2 . 792 . . 572 PRO HB3 . 18604 1 111 . 1 1 11 11 PRO HG2 H 1 1.855 0.01 . 2 . 1057 . . 572 PRO HG2 . 18604 1 112 . 1 1 11 11 PRO HG3 H 1 1.749 0.01 . 2 . 800 . . 572 PRO HG3 . 18604 1 113 . 1 1 11 11 PRO HD2 H 1 3.933 0.003 . 2 . 1159 . . 572 PRO HD2 . 18604 1 114 . 1 1 11 11 PRO HD3 H 1 3.365 0.002 . 2 . 1262 . . 572 PRO HD3 . 18604 1 115 . 1 1 11 11 PRO C C 13 174.742 0.05 . 1 . 1328 . . 572 PRO C . 18604 1 116 . 1 1 11 11 PRO CA C 13 62.191 0.097 . 1 . 601 . . 572 PRO CA . 18604 1 117 . 1 1 11 11 PRO CB C 13 32.206 0.071 . 1 . 600 . . 572 PRO CB . 18604 1 118 . 1 1 11 11 PRO CG C 13 27.167 0.025 . 1 . 1058 . . 572 PRO CG . 18604 1 119 . 1 1 11 11 PRO CD C 13 49.805 0.042 . 1 . 1158 . . 572 PRO CD . 18604 1 120 . 1 1 12 12 LYS H H 1 8.078 0.002 . 1 . 110 . . 573 LYS H . 18604 1 121 . 1 1 12 12 LYS HA H 1 4.197 0.004 . 1 . 604 . . 573 LYS HA . 18604 1 122 . 1 1 12 12 LYS HB2 H 1 1.659 0.002 . 2 . 378 . . 573 LYS HB2 . 18604 1 123 . 1 1 12 12 LYS HB3 H 1 1.708 0.002 . 2 . 377 . . 573 LYS HB3 . 18604 1 124 . 1 1 12 12 LYS HG2 H 1 1.330 0.004 . 1 . 380 . . 573 LYS HG2 . 18604 1 125 . 1 1 12 12 LYS HG3 H 1 1.330 0.004 . 1 . 379 . . 573 LYS HG3 . 18604 1 126 . 1 1 12 12 LYS HD2 H 1 1.461 0.004 . 1 . 382 . . 573 LYS HD2 . 18604 1 127 . 1 1 12 12 LYS HD3 H 1 1.461 0.004 . 1 . 381 . . 573 LYS HD3 . 18604 1 128 . 1 1 12 12 LYS HE2 H 1 2.969 0.007 . 1 . 606 . . 573 LYS HE2 . 18604 1 129 . 1 1 12 12 LYS HE3 H 1 2.969 0.007 . 1 . 605 . . 573 LYS HE3 . 18604 1 130 . 1 1 12 12 LYS C C 13 176.773 0.05 . 1 . 1329 . . 573 LYS C . 18604 1 131 . 1 1 12 12 LYS CA C 13 57.360 0.104 . 1 . 375 . . 573 LYS CA . 18604 1 132 . 1 1 12 12 LYS CB C 13 31.449 0.078 . 1 . 376 . . 573 LYS CB . 18604 1 133 . 1 1 12 12 LYS CG C 13 24.764 0.006 . 1 . 1056 . . 573 LYS CG . 18604 1 134 . 1 1 12 12 LYS CD C 13 29.555 0.015 . 1 . 602 . . 573 LYS CD . 18604 1 135 . 1 1 12 12 LYS CE C 13 41.818 0.013 . 1 . 603 . . 573 LYS CE . 18604 1 136 . 1 1 12 12 LYS N N 15 118.655 0.044 . 1 . 111 . . 573 LYS N . 18604 1 137 . 1 1 13 13 ILE H H 1 7.711 0.001 . 1 . 181 . . 574 ILE H . 18604 1 138 . 1 1 13 13 ILE HA H 1 4.437 0.004 . 1 . 383 . . 574 ILE HA . 18604 1 139 . 1 1 13 13 ILE HB H 1 1.953 0.007 . 1 . 384 . . 574 ILE HB . 18604 1 140 . 1 1 13 13 ILE HG12 H 1 1.187 0.008 . 2 . 1154 . . 574 ILE HG12 . 18604 1 141 . 1 1 13 13 ILE HG13 H 1 1.425 0.001 . 2 . 386 . . 574 ILE HG13 . 18604 1 142 . 1 1 13 13 ILE HG21 H 1 0.841 0.003 . 1 . 1186 . . 574 ILE HG21 . 18604 1 143 . 1 1 13 13 ILE HG22 H 1 0.841 0.003 . 1 . 1186 . . 574 ILE HG22 . 18604 1 144 . 1 1 13 13 ILE HG23 H 1 0.841 0.003 . 1 . 1186 . . 574 ILE HG23 . 18604 1 145 . 1 1 13 13 ILE HD11 H 1 0.861 0.007 . 1 . 385 . . 574 ILE HD11 . 18604 1 146 . 1 1 13 13 ILE HD12 H 1 0.861 0.007 . 1 . 385 . . 574 ILE HD12 . 18604 1 147 . 1 1 13 13 ILE HD13 H 1 0.861 0.007 . 1 . 385 . . 574 ILE HD13 . 18604 1 148 . 1 1 13 13 ILE C C 13 175.581 0.05 . 1 . 1330 . . 574 ILE C . 18604 1 149 . 1 1 13 13 ILE CA C 13 59.647 0.119 . 1 . 302 . . 574 ILE CA . 18604 1 150 . 1 1 13 13 ILE CB C 13 41.326 0.042 . 1 . 301 . . 574 ILE CB . 18604 1 151 . 1 1 13 13 ILE CG1 C 13 26.532 0.072 . 1 . 1155 . . 574 ILE CG1 . 18604 1 152 . 1 1 13 13 ILE CG2 C 13 18.128 0.031 . 1 . 1039 . . 574 ILE CG2 . 18604 1 153 . 1 1 13 13 ILE CD1 C 13 13.855 0.062 . 1 . 876 . . 574 ILE CD1 . 18604 1 154 . 1 1 13 13 ILE N N 15 119.802 0.042 . 1 . 170 . . 574 ILE N . 18604 1 155 . 1 1 14 14 ASP H H 1 8.518 0.002 . 1 . 124 . . 575 ASP H . 18604 1 156 . 1 1 14 14 ASP HA H 1 4.306 0.004 . 1 . 389 . . 575 ASP HA . 18604 1 157 . 1 1 14 14 ASP HB2 H 1 2.586 0.006 . 2 . 607 . . 575 ASP HB2 . 18604 1 158 . 1 1 14 14 ASP HB3 H 1 2.646 0.003 . 2 . 390 . . 575 ASP HB3 . 18604 1 159 . 1 1 14 14 ASP C C 13 177.758 0.05 . 1 . 1331 . . 575 ASP C . 18604 1 160 . 1 1 14 14 ASP CA C 13 54.802 0.07 . 1 . 387 . . 575 ASP CA . 18604 1 161 . 1 1 14 14 ASP CB C 13 43.158 0.059 . 1 . 388 . . 575 ASP CB . 18604 1 162 . 1 1 14 14 ASP N N 15 123.829 0.026 . 1 . 125 . . 575 ASP N . 18604 1 163 . 1 1 15 15 VAL H H 1 8.081 0.002 . 1 . 200 . . 576 VAL H . 18604 1 164 . 1 1 15 15 VAL HA H 1 3.902 0.006 . 1 . 394 . . 576 VAL HA . 18604 1 165 . 1 1 15 15 VAL HB H 1 1.997 0.004 . 1 . 393 . . 576 VAL HB . 18604 1 166 . 1 1 15 15 VAL HG11 H 1 0.415 0.002 . 2 . 396 . . 576 VAL HG11 . 18604 1 167 . 1 1 15 15 VAL HG12 H 1 0.415 0.002 . 2 . 396 . . 576 VAL HG12 . 18604 1 168 . 1 1 15 15 VAL HG13 H 1 0.415 0.002 . 2 . 396 . . 576 VAL HG13 . 18604 1 169 . 1 1 15 15 VAL HG21 H 1 0.642 0.007 . 2 . 395 . . 576 VAL HG21 . 18604 1 170 . 1 1 15 15 VAL HG22 H 1 0.642 0.007 . 2 . 395 . . 576 VAL HG22 . 18604 1 171 . 1 1 15 15 VAL HG23 H 1 0.642 0.007 . 2 . 395 . . 576 VAL HG23 . 18604 1 172 . 1 1 15 15 VAL C C 13 176.584 0.05 . 1 . 1332 . . 576 VAL C . 18604 1 173 . 1 1 15 15 VAL CA C 13 63.869 0.086 . 1 . 391 . . 576 VAL CA . 18604 1 174 . 1 1 15 15 VAL CB C 13 31.414 0.057 . 1 . 392 . . 576 VAL CB . 18604 1 175 . 1 1 15 15 VAL CG1 C 13 18.625 0.025 . 2 . 904 . . 576 VAL CG1 . 18604 1 176 . 1 1 15 15 VAL CG2 C 13 20.043 0.034 . 2 . 903 . . 576 VAL CG2 . 18604 1 177 . 1 1 15 15 VAL N N 15 122.307 0.036 . 1 . 201 . . 576 VAL N . 18604 1 178 . 1 1 16 16 HIS H H 1 9.047 0.003 . 1 . 53 . . 577 HIS H . 18604 1 179 . 1 1 16 16 HIS HA H 1 4.331 0.009 . 1 . 398 . . 577 HIS HA . 18604 1 180 . 1 1 16 16 HIS HB2 H 1 2.275 0.013 . 2 . 400 . . 577 HIS HB2 . 18604 1 181 . 1 1 16 16 HIS HB3 H 1 2.415 0.005 . 2 . 399 . . 577 HIS HB3 . 18604 1 182 . 1 1 16 16 HIS HD2 H 1 6.685 0.009 . 1 . 1041 . . 577 HIS HD2 . 18604 1 183 . 1 1 16 16 HIS HE1 H 1 8.064 0.015 . 1 . 1259 . . 577 HIS HE1 . 18604 1 184 . 1 1 16 16 HIS C C 13 172.463 0.05 . 1 . 1333 . . 577 HIS C . 18604 1 185 . 1 1 16 16 HIS CA C 13 56.227 0.061 . 1 . 397 . . 577 HIS CA . 18604 1 186 . 1 1 16 16 HIS CB C 13 28.206 0.051 . 1 . 241 . . 577 HIS CB . 18604 1 187 . 1 1 16 16 HIS CD2 C 13 120.329 0.066 . 1 . 1042 . . 577 HIS CD2 . 18604 1 188 . 1 1 16 16 HIS CE1 C 13 136.186 0.02 . 1 . 1258 . . 577 HIS CE1 . 18604 1 189 . 1 1 16 16 HIS N N 15 118.266 0.027 . 1 . 54 . . 577 HIS N . 18604 1 190 . 1 1 17 17 LEU H H 1 7.658 0.001 . 1 . 192 . . 578 LEU H . 18604 1 191 . 1 1 17 17 LEU HA H 1 4.547 0.002 . 1 . 401 . . 578 LEU HA . 18604 1 192 . 1 1 17 17 LEU HB2 H 1 1.449 0.003 . 2 . 402 . . 578 LEU HB2 . 18604 1 193 . 1 1 17 17 LEU HB3 H 1 1.792 0.004 . 2 . 856 . . 578 LEU HB3 . 18604 1 194 . 1 1 17 17 LEU HG H 1 1.399 0.008 . 1 . 1038 . . 578 LEU HG . 18604 1 195 . 1 1 17 17 LEU HD11 H 1 0.577 0.003 . 2 . 1036 . . 578 LEU HD11 . 18604 1 196 . 1 1 17 17 LEU HD12 H 1 0.577 0.003 . 2 . 1036 . . 578 LEU HD12 . 18604 1 197 . 1 1 17 17 LEU HD13 H 1 0.577 0.003 . 2 . 1036 . . 578 LEU HD13 . 18604 1 198 . 1 1 17 17 LEU HD21 H 1 0.414 0.004 . 2 . 1035 . . 578 LEU HD21 . 18604 1 199 . 1 1 17 17 LEU HD22 H 1 0.414 0.004 . 2 . 1035 . . 578 LEU HD22 . 18604 1 200 . 1 1 17 17 LEU HD23 H 1 0.414 0.004 . 2 . 1035 . . 578 LEU HD23 . 18604 1 201 . 1 1 17 17 LEU C C 13 176.107 0.05 . 1 . 1335 . . 578 LEU C . 18604 1 202 . 1 1 17 17 LEU CA C 13 54.959 0.067 . 1 . 239 . . 578 LEU CA . 18604 1 203 . 1 1 17 17 LEU CB C 13 44.638 0.064 . 1 . 240 . . 578 LEU CB . 18604 1 204 . 1 1 17 17 LEU CG C 13 27.421 0.024 . 1 . 1037 . . 578 LEU CG . 18604 1 205 . 1 1 17 17 LEU CD1 C 13 25.162 0.03 . 2 . 905 . . 578 LEU CD1 . 18604 1 206 . 1 1 17 17 LEU CD2 C 13 25.713 0.029 . 2 . 608 . . 578 LEU CD2 . 18604 1 207 . 1 1 17 17 LEU N N 15 122.762 0.053 . 1 . 193 . . 578 LEU N . 18604 1 208 . 1 1 18 18 VAL H H 1 9.194 0.003 . 1 . 19 . . 579 VAL H . 18604 1 209 . 1 1 18 18 VAL HA H 1 4.551 0.005 . 1 . 906 . . 579 VAL HA . 18604 1 210 . 1 1 18 18 VAL HB H 1 2.046 0.004 . 1 . 907 . . 579 VAL HB . 18604 1 211 . 1 1 18 18 VAL HG11 H 1 0.797 0.008 . 2 . 908 . . 579 VAL HG11 . 18604 1 212 . 1 1 18 18 VAL HG12 H 1 0.797 0.008 . 2 . 908 . . 579 VAL HG12 . 18604 1 213 . 1 1 18 18 VAL HG13 H 1 0.797 0.008 . 2 . 908 . . 579 VAL HG13 . 18604 1 214 . 1 1 18 18 VAL HG21 H 1 0.901 0.006 . 2 . 1034 . . 579 VAL HG21 . 18604 1 215 . 1 1 18 18 VAL HG22 H 1 0.901 0.006 . 2 . 1034 . . 579 VAL HG22 . 18604 1 216 . 1 1 18 18 VAL HG23 H 1 0.901 0.006 . 2 . 1034 . . 579 VAL HG23 . 18604 1 217 . 1 1 18 18 VAL C C 13 175.210 0.05 . 1 . 1336 . . 579 VAL C . 18604 1 218 . 1 1 18 18 VAL CA C 13 59.447 0.053 . 1 . 471 . . 579 VAL CA . 18604 1 219 . 1 1 18 18 VAL CB C 13 33.469 0.011 . 1 . 472 . . 579 VAL CB . 18604 1 220 . 1 1 18 18 VAL CG1 C 13 20.587 0.064 . 2 . 1032 . . 579 VAL CG1 . 18604 1 221 . 1 1 18 18 VAL CG2 C 13 20.992 0.094 . 2 . 1033 . . 579 VAL CG2 . 18604 1 222 . 1 1 18 18 VAL N N 15 124.718 0.046 . 1 . 20 . . 579 VAL N . 18604 1 223 . 1 1 19 19 PRO HA H 1 4.799 0.004 . 1 . 634 . . 580 PRO HA . 18604 1 224 . 1 1 19 19 PRO HB2 H 1 1.824 0.004 . 2 . 801 . . 580 PRO HB2 . 18604 1 225 . 1 1 19 19 PRO HB3 H 1 2.015 0.006 . 2 . 635 . . 580 PRO HB3 . 18604 1 226 . 1 1 19 19 PRO HG2 H 1 2.042 0.013 . 2 . 1165 . . 580 PRO HG2 . 18604 1 227 . 1 1 19 19 PRO HG3 H 1 1.940 0.006 . 2 . 1163 . . 580 PRO HG3 . 18604 1 228 . 1 1 19 19 PRO HD2 H 1 3.612 0.001 . 2 . 1162 . . 580 PRO HD2 . 18604 1 229 . 1 1 19 19 PRO HD3 H 1 3.854 0.002 . 2 . 1161 . . 580 PRO HD3 . 18604 1 230 . 1 1 19 19 PRO C C 13 176.376 0.05 . 1 . 1337 . . 580 PRO C . 18604 1 231 . 1 1 19 19 PRO CA C 13 61.542 0.052 . 1 . 633 . . 580 PRO CA . 18604 1 232 . 1 1 19 19 PRO CB C 13 31.720 0.062 . 1 . 632 . . 580 PRO CB . 18604 1 233 . 1 1 19 19 PRO CG C 13 27.298 0.069 . 1 . 1164 . . 580 PRO CG . 18604 1 234 . 1 1 19 19 PRO CD C 13 50.955 0.008 . 1 . 1160 . . 580 PRO CD . 18604 1 235 . 1 1 20 20 ASP H H 1 8.949 0.003 . 1 . 61 . . 581 ASP H . 18604 1 236 . 1 1 20 20 ASP HA H 1 4.088 0.005 . 1 . 475 . . 581 ASP HA . 18604 1 237 . 1 1 20 20 ASP HB2 H 1 2.565 0.012 . 2 . 909 . . 581 ASP HB2 . 18604 1 238 . 1 1 20 20 ASP HB3 H 1 2.646 0.017 . 2 . 910 . . 581 ASP HB3 . 18604 1 239 . 1 1 20 20 ASP C C 13 176.531 0.05 . 1 . 1440 . . 581 ASP C . 18604 1 240 . 1 1 20 20 ASP CA C 13 56.367 0.076 . 1 . 271 . . 581 ASP CA . 18604 1 241 . 1 1 20 20 ASP CB C 13 39.951 0.088 . 1 . 272 . . 581 ASP CB . 18604 1 242 . 1 1 20 20 ASP N N 15 123.409 0.042 . 1 . 62 . . 581 ASP N . 18604 1 243 . 1 1 21 21 ARG H H 1 7.483 0.003 . 1 . 146 . . 582 ARG H . 18604 1 244 . 1 1 21 21 ARG HA H 1 4.442 0.001 . 1 . 477 . . 582 ARG HA . 18604 1 245 . 1 1 21 21 ARG HB2 H 1 1.783 0.005 . 2 . 893 . . 582 ARG HB2 . 18604 1 246 . 1 1 21 21 ARG HB3 H 1 1.868 0.002 . 2 . 892 . . 582 ARG HB3 . 18604 1 247 . 1 1 21 21 ARG HG2 H 1 1.674 0.007 . 2 . 894 . . 582 ARG HG2 . 18604 1 248 . 1 1 21 21 ARG HG3 H 1 1.567 0.008 . 2 . 1031 . . 582 ARG HG3 . 18604 1 249 . 1 1 21 21 ARG HD2 H 1 3.236 0.016 . 2 . 479 . . 582 ARG HD2 . 18604 1 250 . 1 1 21 21 ARG HD3 H 1 3.192 0.004 . 2 . 478 . . 582 ARG HD3 . 18604 1 251 . 1 1 21 21 ARG C C 13 174.675 0.05 . 1 . 1441 . . 582 ARG C . 18604 1 252 . 1 1 21 21 ARG CA C 13 54.844 0.034 . 1 . 476 . . 582 ARG CA . 18604 1 253 . 1 1 21 21 ARG CB C 13 31.581 0.061 . 1 . 270 . . 582 ARG CB . 18604 1 254 . 1 1 21 21 ARG CG C 13 26.916 0.056 . 1 . 895 . . 582 ARG CG . 18604 1 255 . 1 1 21 21 ARG CD C 13 43.417 0.081 . 1 . 891 . . 582 ARG CD . 18604 1 256 . 1 1 21 21 ARG N N 15 117.454 0.053 . 1 . 147 . . 582 ARG N . 18604 1 257 . 1 1 22 22 LYS H H 1 8.925 0.003 . 1 . 194 . . 583 LYS H . 18604 1 258 . 1 1 22 22 LYS HA H 1 4.227 0.004 . 1 . 853 . . 583 LYS HA . 18604 1 259 . 1 1 22 22 LYS HB2 H 1 1.591 0.003 . 2 . 855 . . 583 LYS HB2 . 18604 1 260 . 1 1 22 22 LYS HB3 H 1 1.876 0.002 . 2 . 854 . . 583 LYS HB3 . 18604 1 261 . 1 1 22 22 LYS HG2 H 1 1.305 0.007 . 1 . 1313 . . 583 LYS HG2 . 18604 1 262 . 1 1 22 22 LYS HG3 H 1 1.305 0.007 . 1 . 1312 . . 583 LYS HG3 . 18604 1 263 . 1 1 22 22 LYS HD2 H 1 1.651 0.009 . 1 . 1106 . . 583 LYS HD2 . 18604 1 264 . 1 1 22 22 LYS HD3 H 1 1.651 0.009 . 1 . 1105 . . 583 LYS HD3 . 18604 1 265 . 1 1 22 22 LYS HE2 H 1 2.946 0.002 . 2 . 1104 . . 583 LYS HE2 . 18604 1 266 . 1 1 22 22 LYS HE3 H 1 3.011 0.006 . 2 . 1103 . . 583 LYS HE3 . 18604 1 267 . 1 1 22 22 LYS C C 13 174.401 0.05 . 1 . 1338 . . 583 LYS C . 18604 1 268 . 1 1 22 22 LYS CA C 13 56.516 0.08 . 1 . 480 . . 583 LYS CA . 18604 1 269 . 1 1 22 22 LYS CB C 13 32.544 0.107 . 1 . 268 . . 583 LYS CB . 18604 1 270 . 1 1 22 22 LYS CG C 13 25.008 0.094 . 1 . 852 . . 583 LYS CG . 18604 1 271 . 1 1 22 22 LYS CD C 13 29.008 0.04 . 1 . 1107 . . 583 LYS CD . 18604 1 272 . 1 1 22 22 LYS CE C 13 42.237 0.011 . 1 . 1102 . . 583 LYS CE . 18604 1 273 . 1 1 22 22 LYS N N 15 127.082 0.022 . 1 . 195 . . 583 LYS N . 18604 1 274 . 1 1 23 23 LYS H H 1 7.873 0.005 . 1 . 179 . . 584 LYS H . 18604 1 275 . 1 1 23 23 LYS HA H 1 4.445 0.003 . 1 . 483 . . 584 LYS HA . 18604 1 276 . 1 1 23 23 LYS HB2 H 1 0.700 0.002 . 2 . 485 . . 584 LYS HB2 . 18604 1 277 . 1 1 23 23 LYS HB3 H 1 1.550 0.005 . 2 . 484 . . 584 LYS HB3 . 18604 1 278 . 1 1 23 23 LYS HG2 H 1 0.862 0.007 . 2 . 1101 . . 584 LYS HG2 . 18604 1 279 . 1 1 23 23 LYS HG3 H 1 1.145 0.004 . 2 . 1100 . . 584 LYS HG3 . 18604 1 280 . 1 1 23 23 LYS HD2 H 1 1.502 0.001 . 1 . 1168 . . 584 LYS HD2 . 18604 1 281 . 1 1 23 23 LYS HD3 H 1 1.502 0.001 . 1 . 1167 . . 584 LYS HD3 . 18604 1 282 . 1 1 23 23 LYS HE2 H 1 2.710 0.008 . 2 . 487 . . 584 LYS HE2 . 18604 1 283 . 1 1 23 23 LYS HE3 H 1 2.759 0.008 . 2 . 486 . . 584 LYS HE3 . 18604 1 284 . 1 1 23 23 LYS C C 13 174.860 0.05 . 1 . 1339 . . 584 LYS C . 18604 1 285 . 1 1 23 23 LYS CA C 13 54.717 0.064 . 1 . 481 . . 584 LYS CA . 18604 1 286 . 1 1 23 23 LYS CB C 13 35.513 0.091 . 1 . 482 . . 584 LYS CB . 18604 1 287 . 1 1 23 23 LYS CG C 13 24.726 0.045 . 1 . 1099 . . 584 LYS CG . 18604 1 288 . 1 1 23 23 LYS CD C 13 29.636 0.028 . 1 . 1166 . . 584 LYS CD . 18604 1 289 . 1 1 23 23 LYS CE C 13 41.587 0.027 . 1 . 1098 . . 584 LYS CE . 18604 1 290 . 1 1 23 23 LYS N N 15 125.272 0.023 . 1 . 180 . . 584 LYS N . 18604 1 291 . 1 1 24 24 ASP H H 1 8.354 0.003 . 1 . 104 . . 585 ASP H . 18604 1 292 . 1 1 24 24 ASP HA H 1 4.459 0.003 . 1 . 490 . . 585 ASP HA . 18604 1 293 . 1 1 24 24 ASP HB2 H 1 2.511 0.003 . 2 . 492 . . 585 ASP HB2 . 18604 1 294 . 1 1 24 24 ASP HB3 H 1 2.702 0.006 . 2 . 491 . . 585 ASP HB3 . 18604 1 295 . 1 1 24 24 ASP C C 13 176.341 0.05 . 1 . 1340 . . 585 ASP C . 18604 1 296 . 1 1 24 24 ASP CA C 13 56.341 0.062 . 1 . 488 . . 585 ASP CA . 18604 1 297 . 1 1 24 24 ASP CB C 13 40.667 0.086 . 1 . 489 . . 585 ASP CB . 18604 1 298 . 1 1 24 24 ASP N N 15 118.549 0.049 . 1 . 105 . . 585 ASP N . 18604 1 299 . 1 1 25 25 GLN H H 1 7.140 0.002 . 1 . 162 . . 586 GLN H . 18604 1 300 . 1 1 25 25 GLN HA H 1 4.852 0.005 . 1 . 495 . . 586 GLN HA . 18604 1 301 . 1 1 25 25 GLN HB2 H 1 1.715 0.006 . 2 . 851 . . 586 GLN HB2 . 18604 1 302 . 1 1 25 25 GLN HB3 H 1 1.944 0.004 . 2 . 496 . . 586 GLN HB3 . 18604 1 303 . 1 1 25 25 GLN HG2 H 1 2.190 0.003 . 2 . 497 . . 586 GLN HG2 . 18604 1 304 . 1 1 25 25 GLN HG3 H 1 2.144 0.005 . 2 . 1028 . . 586 GLN HG3 . 18604 1 305 . 1 1 25 25 GLN HE21 H 1 6.703 0.003 . 1 . 307 . . 586 GLN HE21 . 18604 1 306 . 1 1 25 25 GLN HE22 H 1 7.547 0.002 . 1 . 309 . . 586 GLN HE22 . 18604 1 307 . 1 1 25 25 GLN C C 13 173.563 0.05 . 1 . 1341 . . 586 GLN C . 18604 1 308 . 1 1 25 25 GLN CA C 13 54.811 0.034 . 1 . 493 . . 586 GLN CA . 18604 1 309 . 1 1 25 25 GLN CB C 13 31.852 0.042 . 1 . 494 . . 586 GLN CB . 18604 1 310 . 1 1 25 25 GLN CG C 13 33.412 0.072 . 1 . 498 . . 586 GLN CG . 18604 1 311 . 1 1 25 25 GLN CD C 13 180.200 0.011 . 1 . 1447 . . 586 GLN CD . 18604 1 312 . 1 1 25 25 GLN N N 15 114.309 0.047 . 1 . 163 . . 586 GLN N . 18604 1 313 . 1 1 25 25 GLN NE2 N 15 111.544 0.045 . 1 . 308 . . 586 GLN NE2 . 18604 1 314 . 1 1 26 26 TYR H H 1 8.786 0.004 . 1 . 55 . . 587 TYR H . 18604 1 315 . 1 1 26 26 TYR HA H 1 4.433 0.003 . 1 . 499 . . 587 TYR HA . 18604 1 316 . 1 1 26 26 TYR HB2 H 1 2.425 0.004 . 2 . 501 . . 587 TYR HB2 . 18604 1 317 . 1 1 26 26 TYR HB3 H 1 2.778 0.006 . 2 . 500 . . 587 TYR HB3 . 18604 1 318 . 1 1 26 26 TYR HD1 H 1 6.893 0.003 . 3 . 1209 . . 587 TYR HD1 . 18604 1 319 . 1 1 26 26 TYR HD2 H 1 6.893 0.003 . 3 . 1210 . . 587 TYR HD2 . 18604 1 320 . 1 1 26 26 TYR HE1 H 1 6.682 0.003 . 3 . 1203 . . 587 TYR HE1 . 18604 1 321 . 1 1 26 26 TYR HE2 H 1 6.682 0.003 . 3 . 1204 . . 587 TYR HE2 . 18604 1 322 . 1 1 26 26 TYR C C 13 174.120 0.05 . 1 . 1342 . . 587 TYR C . 18604 1 323 . 1 1 26 26 TYR CA C 13 56.834 0.119 . 1 . 255 . . 587 TYR CA . 18604 1 324 . 1 1 26 26 TYR CB C 13 41.014 0.1 . 1 . 256 . . 587 TYR CB . 18604 1 325 . 1 1 26 26 TYR CD1 C 13 132.554 0.093 . 3 . 1199 . . 587 TYR CD1 . 18604 1 326 . 1 1 26 26 TYR CD2 C 13 132.554 0.093 . 3 . 1200 . . 587 TYR CD2 . 18604 1 327 . 1 1 26 26 TYR CE1 C 13 118.594 0.05 . 3 . 1054 . . 587 TYR CE1 . 18604 1 328 . 1 1 26 26 TYR CE2 C 13 118.594 0.05 . 3 . 1055 . . 587 TYR CE2 . 18604 1 329 . 1 1 26 26 TYR N N 15 120.211 0.045 . 1 . 56 . . 587 TYR N . 18604 1 330 . 1 1 27 27 LYS H H 1 9.257 0.003 . 1 . 13 . . 588 LYS H . 18604 1 331 . 1 1 27 27 LYS HA H 1 4.459 0.003 . 1 . 504 . . 588 LYS HA . 18604 1 332 . 1 1 27 27 LYS HB2 H 1 1.680 0.005 . 2 . 1030 . . 588 LYS HB2 . 18604 1 333 . 1 1 27 27 LYS HB3 H 1 1.829 0.005 . 2 . 1029 . . 588 LYS HB3 . 18604 1 334 . 1 1 27 27 LYS C C 13 177.589 0.05 . 1 . 1343 . . 588 LYS C . 18604 1 335 . 1 1 27 27 LYS CA C 13 55.115 0.022 . 1 . 502 . . 588 LYS CA . 18604 1 336 . 1 1 27 27 LYS CB C 13 33.513 0.077 . 1 . 503 . . 588 LYS CB . 18604 1 337 . 1 1 27 27 LYS N N 15 121.484 0.044 . 1 . 14 . . 588 LYS N . 18604 1 338 . 1 1 28 28 VAL H H 1 8.306 0.005 . 1 . 128 . . 589 VAL H . 18604 1 339 . 1 1 28 28 VAL HA H 1 3.272 0.001 . 1 . 507 . . 589 VAL HA . 18604 1 340 . 1 1 28 28 VAL HB H 1 1.774 0.003 . 1 . 867 . . 589 VAL HB . 18604 1 341 . 1 1 28 28 VAL HG11 H 1 0.746 0.004 . 2 . 1279 . . 589 VAL HG11 . 18604 1 342 . 1 1 28 28 VAL HG12 H 1 0.746 0.004 . 2 . 1279 . . 589 VAL HG12 . 18604 1 343 . 1 1 28 28 VAL HG13 H 1 0.746 0.004 . 2 . 1279 . . 589 VAL HG13 . 18604 1 344 . 1 1 28 28 VAL HG21 H 1 0.733 0.009 . 2 . 508 . . 589 VAL HG21 . 18604 1 345 . 1 1 28 28 VAL HG22 H 1 0.733 0.009 . 2 . 508 . . 589 VAL HG22 . 18604 1 346 . 1 1 28 28 VAL HG23 H 1 0.733 0.009 . 2 . 508 . . 589 VAL HG23 . 18604 1 347 . 1 1 28 28 VAL C C 13 177.646 0.05 . 1 . 1344 . . 589 VAL C . 18604 1 348 . 1 1 28 28 VAL CA C 13 65.317 0.068 . 1 . 505 . . 589 VAL CA . 18604 1 349 . 1 1 28 28 VAL CB C 13 30.825 0.09 . 1 . 506 . . 589 VAL CB . 18604 1 350 . 1 1 28 28 VAL CG1 C 13 21.411 0.07 . 2 . 1280 . . 589 VAL CG1 . 18604 1 351 . 1 1 28 28 VAL CG2 C 13 22.479 0.077 . 2 . 911 . . 589 VAL CG2 . 18604 1 352 . 1 1 28 28 VAL N N 15 121.301 0.046 . 1 . 129 . . 589 VAL N . 18604 1 353 . 1 1 29 29 GLY H H 1 8.838 0.003 . 1 . 175 . . 590 GLY H . 18604 1 354 . 1 1 29 29 GLY HA2 H 1 3.491 0.006 . 2 . 511 . . 590 GLY HA2 . 18604 1 355 . 1 1 29 29 GLY HA3 H 1 4.342 0.008 . 2 . 510 . . 590 GLY HA3 . 18604 1 356 . 1 1 29 29 GLY C C 13 174.652 0.05 . 1 . 1345 . . 590 GLY C . 18604 1 357 . 1 1 29 29 GLY CA C 13 44.320 0.105 . 1 . 509 . . 590 GLY CA . 18604 1 358 . 1 1 29 29 GLY N N 15 117.098 0.044 . 1 . 176 . . 590 GLY N . 18604 1 359 . 1 1 30 30 GLU H H 1 8.144 0.002 . 1 . 202 . . 591 GLU H . 18604 1 360 . 1 1 30 30 GLU HA H 1 4.148 0.003 . 1 . 514 . . 591 GLU HA . 18604 1 361 . 1 1 30 30 GLU HB2 H 1 2.001 0.004 . 2 . 913 . . 591 GLU HB2 . 18604 1 362 . 1 1 30 30 GLU HB3 H 1 2.194 0.009 . 2 . 912 . . 591 GLU HB3 . 18604 1 363 . 1 1 30 30 GLU HG2 H 1 2.161 0.005 . 2 . 1027 . . 591 GLU HG2 . 18604 1 364 . 1 1 30 30 GLU HG3 H 1 2.516 0.008 . 2 . 515 . . 591 GLU HG3 . 18604 1 365 . 1 1 30 30 GLU C C 13 174.787 0.05 . 1 . 1346 . . 591 GLU C . 18604 1 366 . 1 1 30 30 GLU CA C 13 58.680 0.1 . 1 . 512 . . 591 GLU CA . 18604 1 367 . 1 1 30 30 GLU CB C 13 31.238 0.092 . 1 . 513 . . 591 GLU CB . 18604 1 368 . 1 1 30 30 GLU CG C 13 38.847 0.042 . 1 . 866 . . 591 GLU CG . 18604 1 369 . 1 1 30 30 GLU N N 15 120.536 0.052 . 1 . 203 . . 591 GLU N . 18604 1 370 . 1 1 31 31 VAL H H 1 8.277 0.002 . 1 . 214 . . 592 VAL H . 18604 1 371 . 1 1 31 31 VAL HA H 1 4.376 0.003 . 1 . 518 . . 592 VAL HA . 18604 1 372 . 1 1 31 31 VAL HB H 1 1.798 0.004 . 1 . 519 . . 592 VAL HB . 18604 1 373 . 1 1 31 31 VAL HG11 H 1 0.847 0.005 . 2 . 521 . . 592 VAL HG11 . 18604 1 374 . 1 1 31 31 VAL HG12 H 1 0.847 0.005 . 2 . 521 . . 592 VAL HG12 . 18604 1 375 . 1 1 31 31 VAL HG13 H 1 0.847 0.005 . 2 . 521 . . 592 VAL HG13 . 18604 1 376 . 1 1 31 31 VAL HG21 H 1 0.793 0.003 . 2 . 520 . . 592 VAL HG21 . 18604 1 377 . 1 1 31 31 VAL HG22 H 1 0.793 0.003 . 2 . 520 . . 592 VAL HG22 . 18604 1 378 . 1 1 31 31 VAL HG23 H 1 0.793 0.003 . 2 . 520 . . 592 VAL HG23 . 18604 1 379 . 1 1 31 31 VAL C C 13 175.216 0.05 . 1 . 1347 . . 592 VAL C . 18604 1 380 . 1 1 31 31 VAL CA C 13 61.383 0.074 . 1 . 516 . . 592 VAL CA . 18604 1 381 . 1 1 31 31 VAL CB C 13 33.778 0.027 . 1 . 517 . . 592 VAL CB . 18604 1 382 . 1 1 31 31 VAL CG1 C 13 21.330 0.025 . 2 . 1026 . . 592 VAL CG1 . 18604 1 383 . 1 1 31 31 VAL CG2 C 13 20.891 0.054 . 2 . 1025 . . 592 VAL CG2 . 18604 1 384 . 1 1 31 31 VAL N N 15 121.347 0.028 . 1 . 215 . . 592 VAL N . 18604 1 385 . 1 1 32 32 LEU H H 1 9.091 0.003 . 1 . 26 . . 593 LEU H . 18604 1 386 . 1 1 32 32 LEU HA H 1 4.362 0.003 . 1 . 524 . . 593 LEU HA . 18604 1 387 . 1 1 32 32 LEU HB2 H 1 0.951 0.003 . 2 . 857 . . 593 LEU HB2 . 18604 1 388 . 1 1 32 32 LEU HB3 H 1 1.005 0.005 . 2 . 858 . . 593 LEU HB3 . 18604 1 389 . 1 1 32 32 LEU HG H 1 0.894 0.004 . 1 . 849 . . 593 LEU HG . 18604 1 390 . 1 1 32 32 LEU HD11 H 1 0.242 0.002 . 2 . 525 . . 593 LEU HD11 . 18604 1 391 . 1 1 32 32 LEU HD12 H 1 0.242 0.002 . 2 . 525 . . 593 LEU HD12 . 18604 1 392 . 1 1 32 32 LEU HD13 H 1 0.242 0.002 . 2 . 525 . . 593 LEU HD13 . 18604 1 393 . 1 1 32 32 LEU HD21 H 1 0.183 0.002 . 2 . 850 . . 593 LEU HD21 . 18604 1 394 . 1 1 32 32 LEU HD22 H 1 0.183 0.002 . 2 . 850 . . 593 LEU HD22 . 18604 1 395 . 1 1 32 32 LEU HD23 H 1 0.183 0.002 . 2 . 850 . . 593 LEU HD23 . 18604 1 396 . 1 1 32 32 LEU C C 13 174.042 0.05 . 1 . 1348 . . 593 LEU C . 18604 1 397 . 1 1 32 32 LEU CA C 13 55.189 0.09 . 1 . 474 . . 593 LEU CA . 18604 1 398 . 1 1 32 32 LEU CB C 13 44.462 0.034 . 1 . 848 . . 593 LEU CB . 18604 1 399 . 1 1 32 32 LEU CG C 13 29.072 0.093 . 1 . 914 . . 593 LEU CG . 18604 1 400 . 1 1 32 32 LEU N N 15 131.599 0.044 . 1 . 27 . . 593 LEU N . 18604 1 401 . 1 1 33 33 LYS H H 1 7.801 0.002 . 1 . 184 . . 594 LYS H . 18604 1 402 . 1 1 33 33 LYS HA H 1 4.918 0.003 . 1 . 528 . . 594 LYS HA . 18604 1 403 . 1 1 33 33 LYS HB2 H 1 1.774 0.004 . 2 . 1292 . . 594 LYS HB2 . 18604 1 404 . 1 1 33 33 LYS HB3 H 1 1.420 0.002 . 2 . 1291 . . 594 LYS HB3 . 18604 1 405 . 1 1 33 33 LYS HG2 H 1 1.353 0.009 . 2 . 1301 . . 594 LYS HG2 . 18604 1 406 . 1 1 33 33 LYS HG3 H 1 1.270 0.008 . 2 . 1299 . . 594 LYS HG3 . 18604 1 407 . 1 1 33 33 LYS HD2 H 1 1.604 0.007 . 1 . 1298 . . 594 LYS HD2 . 18604 1 408 . 1 1 33 33 LYS HD3 H 1 1.604 0.007 . 1 . 1297 . . 594 LYS HD3 . 18604 1 409 . 1 1 33 33 LYS HE2 H 1 2.891 0.005 . 1 . 1295 . . 594 LYS HE2 . 18604 1 410 . 1 1 33 33 LYS HE3 H 1 2.891 0.005 . 1 . 1294 . . 594 LYS HE3 . 18604 1 411 . 1 1 33 33 LYS C C 13 175.452 0.05 . 1 . 1349 . . 594 LYS C . 18604 1 412 . 1 1 33 33 LYS CA C 13 54.500 0.101 . 1 . 526 . . 594 LYS CA . 18604 1 413 . 1 1 33 33 LYS CB C 13 34.507 0.088 . 1 . 527 . . 594 LYS CB . 18604 1 414 . 1 1 33 33 LYS CG C 13 25.294 0.032 . 1 . 1300 . . 594 LYS CG . 18604 1 415 . 1 1 33 33 LYS CD C 13 29.035 0.027 . 1 . 1296 . . 594 LYS CD . 18604 1 416 . 1 1 33 33 LYS CE C 13 41.779 0.034 . 1 . 1293 . . 594 LYS CE . 18604 1 417 . 1 1 33 33 LYS N N 15 121.398 0.042 . 1 . 185 . . 594 LYS N . 18604 1 418 . 1 1 34 34 PHE H H 1 8.318 0.004 . 1 . 305 . . 595 PHE H . 18604 1 419 . 1 1 34 34 PHE HA H 1 5.306 0.006 . 1 . 531 . . 595 PHE HA . 18604 1 420 . 1 1 34 34 PHE HB2 H 1 2.419 0.008 . 2 . 533 . . 595 PHE HB2 . 18604 1 421 . 1 1 34 34 PHE HB3 H 1 2.943 0.005 . 2 . 532 . . 595 PHE HB3 . 18604 1 422 . 1 1 34 34 PHE HE1 H 1 6.980 0.006 . 3 . 957 . . 595 PHE HE1 . 18604 1 423 . 1 1 34 34 PHE HE2 H 1 6.980 0.006 . 3 . 958 . . 595 PHE HE2 . 18604 1 424 . 1 1 34 34 PHE C C 13 175.056 0.05 . 1 . 1350 . . 595 PHE C . 18604 1 425 . 1 1 34 34 PHE CA C 13 57.103 0.078 . 1 . 529 . . 595 PHE CA . 18604 1 426 . 1 1 34 34 PHE CB C 13 45.267 0.064 . 1 . 530 . . 595 PHE CB . 18604 1 427 . 1 1 34 34 PHE CE1 C 13 129.990 0.063 . 3 . 959 . . 595 PHE CE1 . 18604 1 428 . 1 1 34 34 PHE CE2 C 13 129.990 0.063 . 3 . 960 . . 595 PHE CE2 . 18604 1 429 . 1 1 34 34 PHE N N 15 116.469 0.04 . 1 . 306 . . 595 PHE N . 18604 1 430 . 1 1 35 35 SER H H 1 8.226 0.003 . 1 . 77 . . 596 SER H . 18604 1 431 . 1 1 35 35 SER HA H 1 4.576 0.004 . 1 . 536 . . 596 SER HA . 18604 1 432 . 1 1 35 35 SER HB2 H 1 3.919 0.005 . 1 . 538 . . 596 SER HB2 . 18604 1 433 . 1 1 35 35 SER HB3 H 1 3.919 0.005 . 1 . 537 . . 596 SER HB3 . 18604 1 434 . 1 1 35 35 SER C C 13 172.675 0.05 . 1 . 1351 . . 596 SER C . 18604 1 435 . 1 1 35 35 SER CA C 13 57.156 0.051 . 1 . 534 . . 596 SER CA . 18604 1 436 . 1 1 35 35 SER CB C 13 65.940 0.079 . 1 . 535 . . 596 SER CB . 18604 1 437 . 1 1 35 35 SER N N 15 113.307 0.043 . 1 . 78 . . 596 SER N . 18604 1 438 . 1 1 36 36 CYS H H 1 8.822 0.003 . 1 . 319 . . 597 CYS H . 18604 1 439 . 1 1 36 36 CYS HA H 1 5.589 0.005 . 1 . 541 . . 597 CYS HA . 18604 1 440 . 1 1 36 36 CYS HB2 H 1 2.711 0.006 . 2 . 543 . . 597 CYS HB2 . 18604 1 441 . 1 1 36 36 CYS HB3 H 1 2.882 0.01 . 2 . 542 . . 597 CYS HB3 . 18604 1 442 . 1 1 36 36 CYS C C 13 175.243 0.05 . 1 . 1352 . . 597 CYS C . 18604 1 443 . 1 1 36 36 CYS CA C 13 55.495 0.082 . 1 . 539 . . 597 CYS CA . 18604 1 444 . 1 1 36 36 CYS CB C 13 46.380 0.082 . 1 . 540 . . 597 CYS CB . 18604 1 445 . 1 1 36 36 CYS N N 15 116.474 0.048 . 1 . 50 . . 597 CYS N . 18604 1 446 . 1 1 37 37 LYS H H 1 8.598 0.002 . 1 . 152 . . 598 LYS H . 18604 1 447 . 1 1 37 37 LYS HA H 1 4.323 0.007 . 1 . 915 . . 598 LYS HA . 18604 1 448 . 1 1 37 37 LYS HB2 H 1 2.101 0.005 . 2 . 1303 . . 598 LYS HB2 . 18604 1 449 . 1 1 37 37 LYS HB3 H 1 1.565 0.005 . 2 . 1302 . . 598 LYS HB3 . 18604 1 450 . 1 1 37 37 LYS HG2 H 1 1.534 0.003 . 2 . 1306 . . 598 LYS HG2 . 18604 1 451 . 1 1 37 37 LYS HG3 H 1 1.698 0.004 . 2 . 1305 . . 598 LYS HG3 . 18604 1 452 . 1 1 37 37 LYS HD2 H 1 1.782 0.005 . 2 . 1251 . . 598 LYS HD2 . 18604 1 453 . 1 1 37 37 LYS HD3 H 1 1.885 0.005 . 2 . 1250 . . 598 LYS HD3 . 18604 1 454 . 1 1 37 37 LYS C C 13 172.097 0.05 . 1 . 1353 . . 598 LYS C . 18604 1 455 . 1 1 37 37 LYS CA C 13 56.087 0.082 . 1 . 544 . . 598 LYS CA . 18604 1 456 . 1 1 37 37 LYS CB C 13 32.311 0.059 . 1 . 545 . . 598 LYS CB . 18604 1 457 . 1 1 37 37 LYS CG C 13 26.058 0.063 . 1 . 1304 . . 598 LYS CG . 18604 1 458 . 1 1 37 37 LYS CD C 13 27.169 0.05 . 1 . 1249 . . 598 LYS CD . 18604 1 459 . 1 1 37 37 LYS N N 15 122.457 0.033 . 1 . 153 . . 598 LYS N . 18604 1 460 . 1 1 38 38 PRO HA H 1 4.403 0.005 . 1 . 596 . . 599 PRO HA . 18604 1 461 . 1 1 38 38 PRO HB2 H 1 1.867 0.011 . 2 . 598 . . 599 PRO HB2 . 18604 1 462 . 1 1 38 38 PRO HB3 H 1 2.359 0.005 . 2 . 597 . . 599 PRO HB3 . 18604 1 463 . 1 1 38 38 PRO HG2 H 1 2.164 0.002 . 2 . 804 . . 599 PRO HG2 . 18604 1 464 . 1 1 38 38 PRO HG3 H 1 2.070 0.003 . 2 . 803 . . 599 PRO HG3 . 18604 1 465 . 1 1 38 38 PRO HD2 H 1 3.607 0.007 . 2 . 1024 . . 599 PRO HD2 . 18604 1 466 . 1 1 38 38 PRO HD3 H 1 3.890 0.005 . 2 . 802 . . 599 PRO HD3 . 18604 1 467 . 1 1 38 38 PRO C C 13 177.136 0.05 . 1 . 1354 . . 599 PRO C . 18604 1 468 . 1 1 38 38 PRO CA C 13 64.488 0.062 . 1 . 594 . . 599 PRO CA . 18604 1 469 . 1 1 38 38 PRO CB C 13 31.743 0.065 . 1 . 595 . . 599 PRO CB . 18604 1 470 . 1 1 38 38 PRO CG C 13 27.886 0.045 . 1 . 880 . . 599 PRO CG . 18604 1 471 . 1 1 38 38 PRO CD C 13 50.350 0.05 . 1 . 879 . . 599 PRO CD . 18604 1 472 . 1 1 39 39 GLY H H 1 8.743 0.002 . 1 . 35 . . 600 GLY H . 18604 1 473 . 1 1 39 39 GLY HA2 H 1 3.406 0.007 . 2 . 350 . . 600 GLY HA2 . 18604 1 474 . 1 1 39 39 GLY HA3 H 1 4.137 0.006 . 2 . 359 . . 600 GLY HA3 . 18604 1 475 . 1 1 39 39 GLY C C 13 173.524 0.05 . 1 . 1355 . . 600 GLY C . 18604 1 476 . 1 1 39 39 GLY CA C 13 44.428 0.111 . 1 . 358 . . 600 GLY CA . 18604 1 477 . 1 1 39 39 GLY N N 15 111.436 0.043 . 1 . 36 . . 600 GLY N . 18604 1 478 . 1 1 40 40 PHE H H 1 8.035 0.001 . 1 . 112 . . 601 PHE H . 18604 1 479 . 1 1 40 40 PHE HA H 1 4.734 0.007 . 1 . 362 . . 601 PHE HA . 18604 1 480 . 1 1 40 40 PHE HB2 H 1 3.202 0.015 . 2 . 599 . . 601 PHE HB2 . 18604 1 481 . 1 1 40 40 PHE HB3 H 1 2.481 0.005 . 2 . 363 . . 601 PHE HB3 . 18604 1 482 . 1 1 40 40 PHE HD1 H 1 6.623 0.013 . 3 . 1211 . . 601 PHE HD1 . 18604 1 483 . 1 1 40 40 PHE HD2 H 1 6.623 0.013 . 3 . 1212 . . 601 PHE HD2 . 18604 1 484 . 1 1 40 40 PHE HE1 H 1 6.896 0.002 . 3 . 1240 . . 601 PHE HE1 . 18604 1 485 . 1 1 40 40 PHE HE2 H 1 6.896 0.002 . 3 . 1241 . . 601 PHE HE2 . 18604 1 486 . 1 1 40 40 PHE C C 13 174.365 0.05 . 1 . 1356 . . 601 PHE C . 18604 1 487 . 1 1 40 40 PHE CA C 13 56.820 0.08 . 1 . 360 . . 601 PHE CA . 18604 1 488 . 1 1 40 40 PHE CB C 13 42.445 0.086 . 1 . 361 . . 601 PHE CB . 18604 1 489 . 1 1 40 40 PHE CD1 C 13 130.627 0.054 . 3 . 1213 . . 601 PHE CD1 . 18604 1 490 . 1 1 40 40 PHE CD2 C 13 130.627 0.054 . 3 . 1214 . . 601 PHE CD2 . 18604 1 491 . 1 1 40 40 PHE CE1 C 13 130.851 0.103 . 3 . 1238 . . 601 PHE CE1 . 18604 1 492 . 1 1 40 40 PHE CE2 C 13 130.851 0.103 . 3 . 1239 . . 601 PHE CE2 . 18604 1 493 . 1 1 40 40 PHE N N 15 118.326 0.029 . 1 . 113 . . 601 PHE N . 18604 1 494 . 1 1 41 41 THR HA H 1 4.554 0.007 . 1 . 364 . . 602 THR HA . 18604 1 495 . 1 1 41 41 THR HB H 1 3.717 0.008 . 1 . 365 . . 602 THR HB . 18604 1 496 . 1 1 41 41 THR HG21 H 1 1.162 0.008 . 1 . 366 . . 602 THR HG21 . 18604 1 497 . 1 1 41 41 THR HG22 H 1 1.162 0.008 . 1 . 366 . . 602 THR HG22 . 18604 1 498 . 1 1 41 41 THR HG23 H 1 1.162 0.008 . 1 . 366 . . 602 THR HG23 . 18604 1 499 . 1 1 41 41 THR C C 13 172.966 0.05 . 1 . 1357 . . 602 THR C . 18604 1 500 . 1 1 41 41 THR CA C 13 61.264 0.05 . 1 . 249 . . 602 THR CA . 18604 1 501 . 1 1 41 41 THR CB C 13 71.225 0.056 . 1 . 248 . . 602 THR CB . 18604 1 502 . 1 1 41 41 THR CG2 C 13 21.551 0.024 . 1 . 994 . . 602 THR CG2 . 18604 1 503 . 1 1 42 42 ILE H H 1 8.420 0.002 . 1 . 216 . . 603 ILE H . 18604 1 504 . 1 1 42 42 ILE HA H 1 4.546 0.005 . 1 . 369 . . 603 ILE HA . 18604 1 505 . 1 1 42 42 ILE HB H 1 1.703 0.009 . 1 . 370 . . 603 ILE HB . 18604 1 506 . 1 1 42 42 ILE HG12 H 1 1.037 0.006 . 2 . 373 . . 603 ILE HG12 . 18604 1 507 . 1 1 42 42 ILE HG13 H 1 1.386 0.002 . 2 . 873 . . 603 ILE HG13 . 18604 1 508 . 1 1 42 42 ILE HG21 H 1 0.923 0.004 . 1 . 372 . . 603 ILE HG21 . 18604 1 509 . 1 1 42 42 ILE HG22 H 1 0.923 0.004 . 1 . 372 . . 603 ILE HG22 . 18604 1 510 . 1 1 42 42 ILE HG23 H 1 0.923 0.004 . 1 . 372 . . 603 ILE HG23 . 18604 1 511 . 1 1 42 42 ILE HD11 H 1 0.589 0.004 . 1 . 371 . . 603 ILE HD11 . 18604 1 512 . 1 1 42 42 ILE HD12 H 1 0.589 0.004 . 1 . 371 . . 603 ILE HD12 . 18604 1 513 . 1 1 42 42 ILE HD13 H 1 0.589 0.004 . 1 . 371 . . 603 ILE HD13 . 18604 1 514 . 1 1 42 42 ILE C C 13 174.613 0.05 . 1 . 1358 . . 603 ILE C . 18604 1 515 . 1 1 42 42 ILE CA C 13 61.606 0.098 . 1 . 368 . . 603 ILE CA . 18604 1 516 . 1 1 42 42 ILE CB C 13 39.358 0.067 . 1 . 318 . . 603 ILE CB . 18604 1 517 . 1 1 42 42 ILE CG1 C 13 29.651 0.058 . 1 . 872 . . 603 ILE CG1 . 18604 1 518 . 1 1 42 42 ILE CG2 C 13 16.256 0.022 . 1 . 871 . . 603 ILE CG2 . 18604 1 519 . 1 1 42 42 ILE CD1 C 13 14.115 0.01 . 1 . 870 . . 603 ILE CD1 . 18604 1 520 . 1 1 42 42 ILE N N 15 128.443 0.046 . 1 . 367 . . 603 ILE N . 18604 1 521 . 1 1 43 43 VAL H H 1 8.903 0.006 . 1 . 28 . . 604 VAL H . 18604 1 522 . 1 1 43 43 VAL HA H 1 4.194 0.011 . 1 . 374 . . 604 VAL HA . 18604 1 523 . 1 1 43 43 VAL HB H 1 1.884 0.005 . 1 . 1288 . . 604 VAL HB . 18604 1 524 . 1 1 43 43 VAL HG21 H 1 0.746 0.004 . 1 . 868 . . 604 VAL HG21 . 18604 1 525 . 1 1 43 43 VAL HG22 H 1 0.746 0.004 . 1 . 868 . . 604 VAL HG22 . 18604 1 526 . 1 1 43 43 VAL HG23 H 1 0.746 0.004 . 1 . 868 . . 604 VAL HG23 . 18604 1 527 . 1 1 43 43 VAL C C 13 175.333 0.05 . 1 . 1359 . . 604 VAL C . 18604 1 528 . 1 1 43 43 VAL CA C 13 62.532 0.09 . 1 . 313 . . 604 VAL CA . 18604 1 529 . 1 1 43 43 VAL CB C 13 33.044 0.083 . 1 . 314 . . 604 VAL CB . 18604 1 530 . 1 1 43 43 VAL CG2 C 13 21.106 0.042 . 1 . 1023 . . 604 VAL CG2 . 18604 1 531 . 1 1 43 43 VAL N N 15 129.054 0.021 . 1 . 29 . . 604 VAL N . 18604 1 532 . 1 1 44 44 GLY H H 1 8.602 0.002 . 1 . 81 . . 605 GLY H . 18604 1 533 . 1 1 44 44 GLY HA2 H 1 3.702 0.002 . 2 . 1267 . . 605 GLY HA2 . 18604 1 534 . 1 1 44 44 GLY HA3 H 1 4.634 0.003 . 2 . 1266 . . 605 GLY HA3 . 18604 1 535 . 1 1 44 44 GLY C C 13 170.092 0.05 . 1 . 1360 . . 605 GLY C . 18604 1 536 . 1 1 44 44 GLY CA C 13 42.934 0.094 . 1 . 473 . . 605 GLY CA . 18604 1 537 . 1 1 44 44 GLY N N 15 116.757 0.042 . 1 . 82 . . 605 GLY N . 18604 1 538 . 1 1 45 45 PRO HA H 1 4.418 0.005 . 1 . 794 . . 606 PRO HA . 18604 1 539 . 1 1 45 45 PRO HB2 H 1 2.089 0.003 . 2 . 796 . . 606 PRO HB2 . 18604 1 540 . 1 1 45 45 PRO HB3 H 1 2.335 0.004 . 2 . 795 . . 606 PRO HB3 . 18604 1 541 . 1 1 45 45 PRO HG2 H 1 2.039 0.007 . 2 . 1286 . . 606 PRO HG2 . 18604 1 542 . 1 1 45 45 PRO HG3 H 1 2.168 0.002 . 2 . 1285 . . 606 PRO HG3 . 18604 1 543 . 1 1 45 45 PRO HD2 H 1 3.582 0.009 . 2 . 1077 . . 606 PRO HD2 . 18604 1 544 . 1 1 45 45 PRO HD3 H 1 3.332 0.012 . 2 . 1270 . . 606 PRO HD3 . 18604 1 545 . 1 1 45 45 PRO C C 13 175.288 0.05 . 1 . 1361 . . 606 PRO C . 18604 1 546 . 1 1 45 45 PRO CA C 13 62.910 0.127 . 1 . 610 . . 606 PRO CA . 18604 1 547 . 1 1 45 45 PRO CB C 13 32.305 0.067 . 1 . 609 . . 606 PRO CB . 18604 1 548 . 1 1 45 45 PRO CG C 13 27.779 0.033 . 1 . 1284 . . 606 PRO CG . 18604 1 549 . 1 1 45 45 PRO CD C 13 49.952 0.062 . 1 . 1076 . . 606 PRO CD . 18604 1 550 . 1 1 46 46 ASN H H 1 8.215 0.002 . 1 . 87 . . 607 ASN H . 18604 1 551 . 1 1 46 46 ASN HA H 1 4.604 0.002 . 1 . 403 . . 607 ASN HA . 18604 1 552 . 1 1 46 46 ASN HB2 H 1 2.835 0.008 . 2 . 405 . . 607 ASN HB2 . 18604 1 553 . 1 1 46 46 ASN HB3 H 1 3.255 0.002 . 2 . 404 . . 607 ASN HB3 . 18604 1 554 . 1 1 46 46 ASN HD21 H 1 7.012 0.001 . 1 . 1140 . . 607 ASN HD21 . 18604 1 555 . 1 1 46 46 ASN HD22 H 1 7.670 0.001 . 1 . 1139 . . 607 ASN HD22 . 18604 1 556 . 1 1 46 46 ASN C C 13 174.719 0.05 . 1 . 1362 . . 607 ASN C . 18604 1 557 . 1 1 46 46 ASN CA C 13 53.394 0.066 . 1 . 288 . . 607 ASN CA . 18604 1 558 . 1 1 46 46 ASN CB C 13 38.617 0.067 . 1 . 289 . . 607 ASN CB . 18604 1 559 . 1 1 46 46 ASN CG C 13 177.545 0.014 . 1 . 1442 . . 607 ASN CG . 18604 1 560 . 1 1 46 46 ASN N N 15 114.367 0.046 . 1 . 88 . . 607 ASN N . 18604 1 561 . 1 1 46 46 ASN ND2 N 15 112.304 0.071 . 1 . 1138 . . 607 ASN ND2 . 18604 1 562 . 1 1 47 47 SER H H 1 7.466 0.002 . 1 . 140 . . 608 SER H . 18604 1 563 . 1 1 47 47 SER HA H 1 5.603 0.007 . 1 . 406 . . 608 SER HA . 18604 1 564 . 1 1 47 47 SER HB2 H 1 3.677 0.007 . 1 . 611 . . 608 SER HB2 . 18604 1 565 . 1 1 47 47 SER HB3 H 1 3.677 0.007 . 1 . 407 . . 608 SER HB3 . 18604 1 566 . 1 1 47 47 SER C C 13 173.297 0.05 . 1 . 1363 . . 608 SER C . 18604 1 567 . 1 1 47 47 SER CA C 13 56.602 0.098 . 1 . 841 . . 608 SER CA . 18604 1 568 . 1 1 47 47 SER CB C 13 65.662 0.151 . 1 . 408 . . 608 SER CB . 18604 1 569 . 1 1 47 47 SER N N 15 111.165 0.036 . 1 . 141 . . 608 SER N . 18604 1 570 . 1 1 48 48 VAL H H 1 8.811 0.003 . 1 . 49 . . 609 VAL H . 18604 1 571 . 1 1 48 48 VAL HA H 1 4.765 0.004 . 1 . 410 . . 609 VAL HA . 18604 1 572 . 1 1 48 48 VAL HB H 1 2.125 0.001 . 1 . 411 . . 609 VAL HB . 18604 1 573 . 1 1 48 48 VAL HG11 H 1 0.861 0.008 . 2 . 412 . . 609 VAL HG11 . 18604 1 574 . 1 1 48 48 VAL HG12 H 1 0.861 0.008 . 2 . 412 . . 609 VAL HG12 . 18604 1 575 . 1 1 48 48 VAL HG13 H 1 0.861 0.008 . 2 . 412 . . 609 VAL HG13 . 18604 1 576 . 1 1 48 48 VAL HG21 H 1 0.849 0.005 . 2 . 1194 . . 609 VAL HG21 . 18604 1 577 . 1 1 48 48 VAL HG22 H 1 0.849 0.005 . 2 . 1194 . . 609 VAL HG22 . 18604 1 578 . 1 1 48 48 VAL HG23 H 1 0.849 0.005 . 2 . 1194 . . 609 VAL HG23 . 18604 1 579 . 1 1 48 48 VAL C C 13 172.734 0.05 . 1 . 1364 . . 609 VAL C . 18604 1 580 . 1 1 48 48 VAL CA C 13 59.758 0.069 . 1 . 409 . . 609 VAL CA . 18604 1 581 . 1 1 48 48 VAL CB C 13 35.450 0.118 . 1 . 300 . . 609 VAL CB . 18604 1 582 . 1 1 48 48 VAL CG1 C 13 21.996 0.083 . 2 . 1195 . . 609 VAL CG1 . 18604 1 583 . 1 1 48 48 VAL CG2 C 13 20.819 0.086 . 2 . 1193 . . 609 VAL CG2 . 18604 1 584 . 1 1 48 48 VAL N N 15 116.618 0.039 . 1 . 320 . . 609 VAL N . 18604 1 585 . 1 1 49 49 GLN H H 1 8.509 0.004 . 1 . 118 . . 610 GLN H . 18604 1 586 . 1 1 49 49 GLN HA H 1 5.203 0.005 . 1 . 415 . . 610 GLN HA . 18604 1 587 . 1 1 49 49 GLN HB2 H 1 1.745 0.002 . 2 . 417 . . 610 GLN HB2 . 18604 1 588 . 1 1 49 49 GLN HB3 H 1 1.893 0.004 . 2 . 416 . . 610 GLN HB3 . 18604 1 589 . 1 1 49 49 GLN HG2 H 1 1.363 0.009 . 1 . 420 . . 610 GLN HG2 . 18604 1 590 . 1 1 49 49 GLN HG3 H 1 1.363 0.009 . 1 . 419 . . 610 GLN HG3 . 18604 1 591 . 1 1 49 49 GLN HE21 H 1 6.520 0.001 . 1 . 1146 . . 610 GLN HE21 . 18604 1 592 . 1 1 49 49 GLN HE22 H 1 6.842 0.001 . 1 . 1145 . . 610 GLN HE22 . 18604 1 593 . 1 1 49 49 GLN C C 13 173.580 0.05 . 1 . 1449 . . 610 GLN C . 18604 1 594 . 1 1 49 49 GLN CA C 13 53.310 0.074 . 1 . 413 . . 610 GLN CA . 18604 1 595 . 1 1 49 49 GLN CB C 13 31.961 0.057 . 1 . 414 . . 610 GLN CB . 18604 1 596 . 1 1 49 49 GLN CG C 13 33.470 0.08 . 1 . 418 . . 610 GLN CG . 18604 1 597 . 1 1 49 49 GLN CD C 13 178.839 0.007 . 1 . 1448 . . 610 GLN CD . 18604 1 598 . 1 1 49 49 GLN N N 15 120.639 0.044 . 1 . 119 . . 610 GLN N . 18604 1 599 . 1 1 49 49 GLN NE2 N 15 110.662 0.06 . 1 . 1144 . . 610 GLN NE2 . 18604 1 600 . 1 1 50 50 CYS H H 1 8.097 0.002 . 1 . 108 . . 611 CYS H . 18604 1 601 . 1 1 50 50 CYS HA H 1 4.668 0.004 . 1 . 421 . . 611 CYS HA . 18604 1 602 . 1 1 50 50 CYS HB2 H 1 2.409 0.007 . 2 . 423 . . 611 CYS HB2 . 18604 1 603 . 1 1 50 50 CYS HB3 H 1 2.997 0.009 . 2 . 422 . . 611 CYS HB3 . 18604 1 604 . 1 1 50 50 CYS C C 13 173.236 0.05 . 1 . 1365 . . 611 CYS C . 18604 1 605 . 1 1 50 50 CYS CA C 13 54.534 0.066 . 1 . 303 . . 611 CYS CA . 18604 1 606 . 1 1 50 50 CYS CB C 13 37.453 0.043 . 1 . 304 . . 611 CYS CB . 18604 1 607 . 1 1 50 50 CYS N N 15 119.287 0.042 . 1 . 109 . . 611 CYS N . 18604 1 608 . 1 1 51 51 TYR H H 1 8.438 0.004 . 1 . 136 . . 612 TYR H . 18604 1 609 . 1 1 51 51 TYR HA H 1 4.648 0.011 . 1 . 917 . . 612 TYR HA . 18604 1 610 . 1 1 51 51 TYR HB2 H 1 1.750 0.009 . 2 . 1021 . . 612 TYR HB2 . 18604 1 611 . 1 1 51 51 TYR HB3 H 1 2.427 0.009 . 2 . 918 . . 612 TYR HB3 . 18604 1 612 . 1 1 51 51 TYR HD1 H 1 7.097 0.007 . 3 . 1046 . . 612 TYR HD1 . 18604 1 613 . 1 1 51 51 TYR HD2 H 1 7.097 0.007 . 3 . 1047 . . 612 TYR HD2 . 18604 1 614 . 1 1 51 51 TYR HE1 H 1 6.866 0.01 . 3 . 1050 . . 612 TYR HE1 . 18604 1 615 . 1 1 51 51 TYR HE2 H 1 6.866 0.01 . 3 . 1051 . . 612 TYR HE2 . 18604 1 616 . 1 1 51 51 TYR C C 13 176.808 0.05 . 1 . 1366 . . 612 TYR C . 18604 1 617 . 1 1 51 51 TYR CA C 13 57.071 0.076 . 1 . 424 . . 612 TYR CA . 18604 1 618 . 1 1 51 51 TYR CB C 13 40.604 0.056 . 1 . 425 . . 612 TYR CB . 18604 1 619 . 1 1 51 51 TYR CD1 C 13 134.247 0.062 . 3 . 1048 . . 612 TYR CD1 . 18604 1 620 . 1 1 51 51 TYR CD2 C 13 134.247 0.062 . 3 . 1049 . . 612 TYR CD2 . 18604 1 621 . 1 1 51 51 TYR CE1 C 13 117.842 0.051 . 3 . 1052 . . 612 TYR CE1 . 18604 1 622 . 1 1 51 51 TYR CE2 C 13 117.842 0.051 . 3 . 1053 . . 612 TYR CE2 . 18604 1 623 . 1 1 51 51 TYR N N 15 131.197 0.034 . 1 . 137 . . 612 TYR N . 18604 1 624 . 1 1 52 52 HIS H H 1 9.106 0.004 . 1 . 142 . . 613 HIS H . 18604 1 625 . 1 1 52 52 HIS HA H 1 4.136 0.009 . 1 . 426 . . 613 HIS HA . 18604 1 626 . 1 1 52 52 HIS HB2 H 1 3.155 0.005 . 2 . 428 . . 613 HIS HB2 . 18604 1 627 . 1 1 52 52 HIS HB3 H 1 3.235 0.008 . 2 . 427 . . 613 HIS HB3 . 18604 1 628 . 1 1 52 52 HIS HD2 H 1 7.205 0.007 . 1 . 1044 . . 613 HIS HD2 . 18604 1 629 . 1 1 52 52 HIS C C 13 175.028 0.05 . 1 . 1367 . . 613 HIS C . 18604 1 630 . 1 1 52 52 HIS CA C 13 59.922 0.085 . 1 . 261 . . 613 HIS CA . 18604 1 631 . 1 1 52 52 HIS CB C 13 29.883 0.122 . 1 . 260 . . 613 HIS CB . 18604 1 632 . 1 1 52 52 HIS CD2 C 13 119.749 0.055 . 1 . 1045 . . 613 HIS CD2 . 18604 1 633 . 1 1 52 52 HIS N N 15 119.211 0.033 . 1 . 143 . . 613 HIS N . 18604 1 634 . 1 1 53 53 PHE H H 1 5.997 0.003 . 1 . 208 . . 614 PHE H . 18604 1 635 . 1 1 53 53 PHE HA H 1 4.795 0.007 . 1 . 429 . . 614 PHE HA . 18604 1 636 . 1 1 53 53 PHE HB2 H 1 2.625 0.008 . 2 . 431 . . 614 PHE HB2 . 18604 1 637 . 1 1 53 53 PHE HB3 H 1 3.473 0.008 . 2 . 430 . . 614 PHE HB3 . 18604 1 638 . 1 1 53 53 PHE HD1 H 1 6.789 0.004 . 3 . 1256 . . 614 PHE HD1 . 18604 1 639 . 1 1 53 53 PHE HD2 H 1 6.789 0.004 . 3 . 1257 . . 614 PHE HD2 . 18604 1 640 . 1 1 53 53 PHE HE1 H 1 7.014 0.006 . 3 . 965 . . 614 PHE HE1 . 18604 1 641 . 1 1 53 53 PHE HE2 H 1 7.014 0.006 . 3 . 966 . . 614 PHE HE2 . 18604 1 642 . 1 1 53 53 PHE C C 13 174.624 0.05 . 1 . 1368 . . 614 PHE C . 18604 1 643 . 1 1 53 53 PHE CA C 13 54.946 0.068 . 1 . 285 . . 614 PHE CA . 18604 1 644 . 1 1 53 53 PHE CB C 13 38.092 0.085 . 1 . 259 . . 614 PHE CB . 18604 1 645 . 1 1 53 53 PHE CD1 C 13 131.929 0.061 . 3 . 1254 . . 614 PHE CD1 . 18604 1 646 . 1 1 53 53 PHE CD2 C 13 131.929 0.061 . 3 . 1255 . . 614 PHE CD2 . 18604 1 647 . 1 1 53 53 PHE CE1 C 13 131.876 0.079 . 3 . 967 . . 614 PHE CE1 . 18604 1 648 . 1 1 53 53 PHE CE2 C 13 131.876 0.079 . 3 . 968 . . 614 PHE CE2 . 18604 1 649 . 1 1 53 53 PHE N N 15 109.454 0.041 . 1 . 209 . . 614 PHE N . 18604 1 650 . 1 1 54 54 GLY H H 1 7.322 0.002 . 1 . 210 . . 615 GLY H . 18604 1 651 . 1 1 54 54 GLY HA2 H 1 3.739 0.006 . 2 . 433 . . 615 GLY HA2 . 18604 1 652 . 1 1 54 54 GLY HA3 H 1 4.697 0.006 . 2 . 432 . . 615 GLY HA3 . 18604 1 653 . 1 1 54 54 GLY C C 13 172.740 0.05 . 1 . 1369 . . 615 GLY C . 18604 1 654 . 1 1 54 54 GLY CA C 13 43.946 0.11 . 1 . 284 . . 615 GLY CA . 18604 1 655 . 1 1 54 54 GLY N N 15 112.511 0.044 . 1 . 211 . . 615 GLY N . 18604 1 656 . 1 1 55 55 LEU H H 1 8.401 0.002 . 1 . 106 . . 616 LEU H . 18604 1 657 . 1 1 55 55 LEU HA H 1 5.018 0.003 . 1 . 434 . . 616 LEU HA . 18604 1 658 . 1 1 55 55 LEU HB2 H 1 1.178 0.002 . 2 . 435 . . 616 LEU HB2 . 18604 1 659 . 1 1 55 55 LEU HB3 H 1 1.809 0.004 . 2 . 859 . . 616 LEU HB3 . 18604 1 660 . 1 1 55 55 LEU HG H 1 0.864 0.004 . 1 . 436 . . 616 LEU HG . 18604 1 661 . 1 1 55 55 LEU HD11 H 1 0.523 0.014 . 2 . 919 . . 616 LEU HD11 . 18604 1 662 . 1 1 55 55 LEU HD12 H 1 0.523 0.014 . 2 . 919 . . 616 LEU HD12 . 18604 1 663 . 1 1 55 55 LEU HD13 H 1 0.523 0.014 . 2 . 919 . . 616 LEU HD13 . 18604 1 664 . 1 1 55 55 LEU HD21 H 1 0.573 0.003 . 2 . 437 . . 616 LEU HD21 . 18604 1 665 . 1 1 55 55 LEU HD22 H 1 0.573 0.003 . 2 . 437 . . 616 LEU HD22 . 18604 1 666 . 1 1 55 55 LEU HD23 H 1 0.573 0.003 . 2 . 437 . . 616 LEU HD23 . 18604 1 667 . 1 1 55 55 LEU C C 13 178.335 0.05 . 1 . 1370 . . 616 LEU C . 18604 1 668 . 1 1 55 55 LEU CA C 13 54.578 0.087 . 1 . 258 . . 616 LEU CA . 18604 1 669 . 1 1 55 55 LEU CB C 13 42.737 0.065 . 1 . 257 . . 616 LEU CB . 18604 1 670 . 1 1 55 55 LEU CG C 13 26.260 0.106 . 1 . 921 . . 616 LEU CG . 18604 1 671 . 1 1 55 55 LEU CD1 C 13 22.952 0.065 . 2 . 922 . . 616 LEU CD1 . 18604 1 672 . 1 1 55 55 LEU CD2 C 13 22.984 0.054 . 2 . 920 . . 616 LEU CD2 . 18604 1 673 . 1 1 55 55 LEU N N 15 119.393 0.036 . 1 . 107 . . 616 LEU N . 18604 1 674 . 1 1 56 56 SER H H 1 8.892 0.002 . 1 . 47 . . 617 SER H . 18604 1 675 . 1 1 56 56 SER HA H 1 4.930 0.011 . 1 . 890 . . 617 SER HA . 18604 1 676 . 1 1 56 56 SER HB2 H 1 3.848 0.002 . 1 . 889 . . 617 SER HB2 . 18604 1 677 . 1 1 56 56 SER HB3 H 1 3.848 0.002 . 1 . 888 . . 617 SER HB3 . 18604 1 678 . 1 1 56 56 SER C C 13 174.611 0.05 . 1 . 1371 . . 617 SER C . 18604 1 679 . 1 1 56 56 SER CA C 13 56.605 0.079 . 1 . 250 . . 617 SER CA . 18604 1 680 . 1 1 56 56 SER CB C 13 65.771 0.089 . 1 . 315 . . 617 SER CB . 18604 1 681 . 1 1 56 56 SER N N 15 116.654 0.041 . 1 . 48 . . 617 SER N . 18604 1 682 . 1 1 57 57 PRO HA H 1 5.102 0.009 . 1 . 797 . . 618 PRO HA . 18604 1 683 . 1 1 57 57 PRO HB2 H 1 2.396 0.007 . 2 . 799 . . 618 PRO HB2 . 18604 1 684 . 1 1 57 57 PRO HB3 H 1 2.515 0.007 . 2 . 798 . . 618 PRO HB3 . 18604 1 685 . 1 1 57 57 PRO HG2 H 1 1.838 0.009 . 2 . 1072 . . 618 PRO HG2 . 18604 1 686 . 1 1 57 57 PRO HG3 H 1 2.110 0.007 . 2 . 1071 . . 618 PRO HG3 . 18604 1 687 . 1 1 57 57 PRO HD2 H 1 3.705 0.005 . 2 . 1074 . . 618 PRO HD2 . 18604 1 688 . 1 1 57 57 PRO HD3 H 1 3.959 0.006 . 2 . 1073 . . 618 PRO HD3 . 18604 1 689 . 1 1 57 57 PRO C C 13 173.146 0.05 . 1 . 1372 . . 618 PRO C . 18604 1 690 . 1 1 57 57 PRO CA C 13 63.286 0.054 . 1 . 784 . . 618 PRO CA . 18604 1 691 . 1 1 57 57 PRO CB C 13 33.616 0.068 . 1 . 785 . . 618 PRO CB . 18604 1 692 . 1 1 57 57 PRO CG C 13 25.292 0.047 . 1 . 1070 . . 618 PRO CG . 18604 1 693 . 1 1 57 57 PRO CD C 13 50.158 0.049 . 1 . 1075 . . 618 PRO CD . 18604 1 694 . 1 1 58 58 ASP H H 1 7.635 0.001 . 1 . 198 . . 619 ASP H . 18604 1 695 . 1 1 58 58 ASP HA H 1 4.434 0.004 . 1 . 788 . . 619 ASP HA . 18604 1 696 . 1 1 58 58 ASP HB2 H 1 2.512 0.004 . 2 . 790 . . 619 ASP HB2 . 18604 1 697 . 1 1 58 58 ASP HB3 H 1 2.646 0.003 . 2 . 789 . . 619 ASP HB3 . 18604 1 698 . 1 1 58 58 ASP C C 13 175.019 0.05 . 1 . 1373 . . 619 ASP C . 18604 1 699 . 1 1 58 58 ASP CA C 13 54.819 0.093 . 1 . 782 . . 619 ASP CA . 18604 1 700 . 1 1 58 58 ASP CB C 13 40.979 0.068 . 1 . 783 . . 619 ASP CB . 18604 1 701 . 1 1 58 58 ASP N N 15 114.077 0.048 . 1 . 199 . . 619 ASP N . 18604 1 702 . 1 1 59 59 LEU H H 1 7.736 0.002 . 1 . 168 . . 620 LEU H . 18604 1 703 . 1 1 59 59 LEU HA H 1 3.839 0.009 . 1 . 1089 . . 620 LEU HA . 18604 1 704 . 1 1 59 59 LEU HB2 H 1 1.198 0.006 . 2 . 1096 . . 620 LEU HB2 . 18604 1 705 . 1 1 59 59 LEU HB3 H 1 1.478 0.008 . 2 . 1095 . . 620 LEU HB3 . 18604 1 706 . 1 1 59 59 LEU HG H 1 1.674 0.005 . 1 . 1094 . . 620 LEU HG . 18604 1 707 . 1 1 59 59 LEU HD11 H 1 0.717 0.003 . 2 . 1091 . . 620 LEU HD11 . 18604 1 708 . 1 1 59 59 LEU HD12 H 1 0.717 0.003 . 2 . 1091 . . 620 LEU HD12 . 18604 1 709 . 1 1 59 59 LEU HD13 H 1 0.717 0.003 . 2 . 1091 . . 620 LEU HD13 . 18604 1 710 . 1 1 59 59 LEU HD21 H 1 0.863 0.003 . 2 . 1090 . . 620 LEU HD21 . 18604 1 711 . 1 1 59 59 LEU HD22 H 1 0.863 0.003 . 2 . 1090 . . 620 LEU HD22 . 18604 1 712 . 1 1 59 59 LEU HD23 H 1 0.863 0.003 . 2 . 1090 . . 620 LEU HD23 . 18604 1 713 . 1 1 59 59 LEU C C 13 175.516 0.05 . 1 . 1374 . . 620 LEU C . 18604 1 714 . 1 1 59 59 LEU CA C 13 53.911 0.039 . 1 . 786 . . 620 LEU CA . 18604 1 715 . 1 1 59 59 LEU CB C 13 40.356 0.058 . 1 . 787 . . 620 LEU CB . 18604 1 716 . 1 1 59 59 LEU CG C 13 28.777 0.106 . 1 . 1097 . . 620 LEU CG . 18604 1 717 . 1 1 59 59 LEU CD1 C 13 25.499 0.049 . 2 . 1093 . . 620 LEU CD1 . 18604 1 718 . 1 1 59 59 LEU CD2 C 13 25.854 0.09 . 2 . 1092 . . 620 LEU CD2 . 18604 1 719 . 1 1 59 59 LEU N N 15 117.844 0.048 . 1 . 169 . . 620 LEU N . 18604 1 720 . 1 1 60 60 PRO HA H 1 4.630 0.004 . 1 . 619 . . 621 PRO HA . 18604 1 721 . 1 1 60 60 PRO HB2 H 1 1.617 0.004 . 2 . 621 . . 621 PRO HB2 . 18604 1 722 . 1 1 60 60 PRO HB3 H 1 2.006 0.003 . 2 . 620 . . 621 PRO HB3 . 18604 1 723 . 1 1 60 60 PRO HG2 H 1 1.855 0.006 . 2 . 1287 . . 621 PRO HG2 . 18604 1 724 . 1 1 60 60 PRO HG3 H 1 1.191 0.011 . 2 . 1069 . . 621 PRO HG3 . 18604 1 725 . 1 1 60 60 PRO HD2 H 1 2.602 0.011 . 2 . 1118 . . 621 PRO HD2 . 18604 1 726 . 1 1 60 60 PRO HD3 H 1 3.259 0.005 . 2 . 1117 . . 621 PRO HD3 . 18604 1 727 . 1 1 60 60 PRO C C 13 173.397 0.05 . 1 . 1375 . . 621 PRO C . 18604 1 728 . 1 1 60 60 PRO CA C 13 62.143 0.078 . 1 . 616 . . 621 PRO CA . 18604 1 729 . 1 1 60 60 PRO CB C 13 33.090 0.086 . 1 . 617 . . 621 PRO CB . 18604 1 730 . 1 1 60 60 PRO CG C 13 27.008 0.062 . 1 . 618 . . 621 PRO CG . 18604 1 731 . 1 1 60 60 PRO CD C 13 49.297 0.042 . 1 . 1116 . . 621 PRO CD . 18604 1 732 . 1 1 61 61 ILE H H 1 7.790 0.004 . 1 . 73 . . 622 ILE H . 18604 1 733 . 1 1 61 61 ILE HA H 1 4.469 0.006 . 1 . 438 . . 622 ILE HA . 18604 1 734 . 1 1 61 61 ILE HB H 1 1.992 0.007 . 1 . 439 . . 622 ILE HB . 18604 1 735 . 1 1 61 61 ILE HG12 H 1 1.094 0.009 . 2 . 441 . . 622 ILE HG12 . 18604 1 736 . 1 1 61 61 ILE HG13 H 1 1.188 0.007 . 2 . 440 . . 622 ILE HG13 . 18604 1 737 . 1 1 61 61 ILE HG21 H 1 0.871 0.004 . 1 . 1020 . . 622 ILE HG21 . 18604 1 738 . 1 1 61 61 ILE HG22 H 1 0.871 0.004 . 1 . 1020 . . 622 ILE HG22 . 18604 1 739 . 1 1 61 61 ILE HG23 H 1 0.871 0.004 . 1 . 1020 . . 622 ILE HG23 . 18604 1 740 . 1 1 61 61 ILE HD11 H 1 0.823 0.003 . 1 . 1188 . . 622 ILE HD11 . 18604 1 741 . 1 1 61 61 ILE HD12 H 1 0.823 0.003 . 1 . 1188 . . 622 ILE HD12 . 18604 1 742 . 1 1 61 61 ILE HD13 H 1 0.823 0.003 . 1 . 1188 . . 622 ILE HD13 . 18604 1 743 . 1 1 61 61 ILE C C 13 174.636 0.05 . 1 . 1376 . . 622 ILE C . 18604 1 744 . 1 1 61 61 ILE CA C 13 59.126 0.05 . 1 . 280 . . 622 ILE CA . 18604 1 745 . 1 1 61 61 ILE CB C 13 41.690 0.066 . 1 . 281 . . 622 ILE CB . 18604 1 746 . 1 1 61 61 ILE CG1 C 13 26.723 0.089 . 1 . 874 . . 622 ILE CG1 . 18604 1 747 . 1 1 61 61 ILE CG2 C 13 18.262 0.034 . 1 . 1019 . . 622 ILE CG2 . 18604 1 748 . 1 1 61 61 ILE CD1 C 13 14.332 0.061 . 1 . 1187 . . 622 ILE CD1 . 18604 1 749 . 1 1 61 61 ILE N N 15 108.123 0.037 . 1 . 74 . . 622 ILE N . 18604 1 750 . 1 1 62 62 CYS H H 1 8.219 0.005 . 1 . 102 . . 623 CYS H . 18604 1 751 . 1 1 62 62 CYS HA H 1 5.327 0.005 . 1 . 442 . . 623 CYS HA . 18604 1 752 . 1 1 62 62 CYS HB2 H 1 2.657 0.004 . 2 . 444 . . 623 CYS HB2 . 18604 1 753 . 1 1 62 62 CYS HB3 H 1 2.838 0.004 . 2 . 443 . . 623 CYS HB3 . 18604 1 754 . 1 1 62 62 CYS C C 13 174.364 0.05 . 1 . 1377 . . 623 CYS C . 18604 1 755 . 1 1 62 62 CYS CA C 13 53.550 0.062 . 1 . 283 . . 623 CYS CA . 18604 1 756 . 1 1 62 62 CYS CB C 13 43.680 0.054 . 1 . 282 . . 623 CYS CB . 18604 1 757 . 1 1 62 62 CYS N N 15 117.684 0.039 . 1 . 103 . . 623 CYS N . 18604 1 758 . 1 1 63 63 LYS H H 1 9.235 0.003 . 1 . 17 . . 624 LYS H . 18604 1 759 . 1 1 63 63 LYS HA H 1 4.822 0.004 . 1 . 447 . . 624 LYS HA . 18604 1 760 . 1 1 63 63 LYS HB2 H 1 1.488 0.004 . 2 . 448 . . 624 LYS HB2 . 18604 1 761 . 1 1 63 63 LYS HB3 H 1 1.771 0.004 . 2 . 446 . . 624 LYS HB3 . 18604 1 762 . 1 1 63 63 LYS HG2 H 1 1.355 0.004 . 1 . 626 . . 624 LYS HG2 . 18604 1 763 . 1 1 63 63 LYS HG3 H 1 1.355 0.004 . 1 . 625 . . 624 LYS HG3 . 18604 1 764 . 1 1 63 63 LYS HD2 H 1 1.620 0.001 . 1 . 1171 . . 624 LYS HD2 . 18604 1 765 . 1 1 63 63 LYS HD3 H 1 1.620 0.001 . 1 . 1170 . . 624 LYS HD3 . 18604 1 766 . 1 1 63 63 LYS HE2 H 1 2.900 0.001 . 2 . 924 . . 624 LYS HE2 . 18604 1 767 . 1 1 63 63 LYS HE3 H 1 3.010 0.005 . 2 . 923 . . 624 LYS HE3 . 18604 1 768 . 1 1 63 63 LYS C C 13 175.791 0.05 . 1 . 1378 . . 624 LYS C . 18604 1 769 . 1 1 63 63 LYS CA C 13 54.937 0.091 . 1 . 445 . . 624 LYS CA . 18604 1 770 . 1 1 63 63 LYS CB C 13 35.956 0.048 . 1 . 228 . . 624 LYS CB . 18604 1 771 . 1 1 63 63 LYS CG C 13 25.385 0.1 . 1 . 627 . . 624 LYS CG . 18604 1 772 . 1 1 63 63 LYS CD C 13 29.150 0.01 . 1 . 1169 . . 624 LYS CD . 18604 1 773 . 1 1 63 63 LYS CE C 13 41.973 0.136 . 1 . 925 . . 624 LYS CE . 18604 1 774 . 1 1 63 63 LYS N N 15 123.814 0.038 . 1 . 18 . . 624 LYS N . 18604 1 775 . 1 1 64 64 GLU H H 1 9.240 0.002 . 1 . 21 . . 625 GLU H . 18604 1 776 . 1 1 64 64 GLU HA H 1 3.596 0.009 . 1 . 449 . . 625 GLU HA . 18604 1 777 . 1 1 64 64 GLU HB2 H 1 1.735 0.002 . 1 . 451 . . 625 GLU HB2 . 18604 1 778 . 1 1 64 64 GLU HB3 H 1 1.735 0.002 . 1 . 450 . . 625 GLU HB3 . 18604 1 779 . 1 1 64 64 GLU HG2 H 1 1.859 0.008 . 2 . 863 . . 625 GLU HG2 . 18604 1 780 . 1 1 64 64 GLU HG3 H 1 1.742 0.006 . 2 . 1185 . . 625 GLU HG3 . 18604 1 781 . 1 1 64 64 GLU C C 13 176.133 0.05 . 1 . 1379 . . 625 GLU C . 18604 1 782 . 1 1 64 64 GLU CA C 13 58.287 0.048 . 1 . 254 . . 625 GLU CA . 18604 1 783 . 1 1 64 64 GLU CB C 13 29.855 0.017 . 1 . 253 . . 625 GLU CB . 18604 1 784 . 1 1 64 64 GLU CG C 13 36.553 0.11 . 1 . 452 . . 625 GLU CG . 18604 1 785 . 1 1 64 64 GLU N N 15 126.037 0.027 . 1 . 22 . . 625 GLU N . 18604 1 786 . 1 1 65 65 GLN H H 1 7.829 0.003 . 1 . 126 . . 626 GLN H . 18604 1 787 . 1 1 65 65 GLN HA H 1 4.328 0.006 . 1 . 455 . . 626 GLN HA . 18604 1 788 . 1 1 65 65 GLN HB2 H 1 1.709 0.005 . 2 . 458 . . 626 GLN HB2 . 18604 1 789 . 1 1 65 65 GLN HB3 H 1 1.763 0.003 . 2 . 457 . . 626 GLN HB3 . 18604 1 790 . 1 1 65 65 GLN HG2 H 1 2.081 0.001 . 2 . 1253 . . 626 GLN HG2 . 18604 1 791 . 1 1 65 65 GLN HG3 H 1 2.140 0.009 . 2 . 1252 . . 626 GLN HG3 . 18604 1 792 . 1 1 65 65 GLN HE21 H 1 6.721 0.003 . 1 . 312 . . 626 GLN HE21 . 18604 1 793 . 1 1 65 65 GLN HE22 H 1 7.402 0.002 . 1 . 310 . . 626 GLN HE22 . 18604 1 794 . 1 1 65 65 GLN C C 13 174.769 0.05 . 1 . 1380 . . 626 GLN C . 18604 1 795 . 1 1 65 65 GLN CA C 13 55.146 0.044 . 1 . 453 . . 626 GLN CA . 18604 1 796 . 1 1 65 65 GLN CB C 13 29.951 0.077 . 1 . 454 . . 626 GLN CB . 18604 1 797 . 1 1 65 65 GLN CG C 13 33.685 0.053 . 1 . 456 . . 626 GLN CG . 18604 1 798 . 1 1 65 65 GLN CD C 13 180.127 0.05 . 1 . 1450 . . 626 GLN CD . 18604 1 799 . 1 1 65 65 GLN N N 15 120.607 0.029 . 1 . 127 . . 626 GLN N . 18604 1 800 . 1 1 65 65 GLN NE2 N 15 111.792 0.043 . 1 . 311 . . 626 GLN NE2 . 18604 1 801 . 1 1 66 66 VAL H H 1 8.031 0.006 . 1 . 338 . . 627 VAL H . 18604 1 802 . 1 1 66 66 VAL HA H 1 4.259 0.003 . 1 . 461 . . 627 VAL HA . 18604 1 803 . 1 1 66 66 VAL HB H 1 1.636 0.007 . 1 . 462 . . 627 VAL HB . 18604 1 804 . 1 1 66 66 VAL HG11 H 1 0.385 0.011 . 2 . 926 . . 627 VAL HG11 . 18604 1 805 . 1 1 66 66 VAL HG12 H 1 0.385 0.011 . 2 . 926 . . 627 VAL HG12 . 18604 1 806 . 1 1 66 66 VAL HG13 H 1 0.385 0.011 . 2 . 926 . . 627 VAL HG13 . 18604 1 807 . 1 1 66 66 VAL HG21 H 1 0.624 0.006 . 2 . 628 . . 627 VAL HG21 . 18604 1 808 . 1 1 66 66 VAL HG22 H 1 0.624 0.006 . 2 . 628 . . 627 VAL HG22 . 18604 1 809 . 1 1 66 66 VAL HG23 H 1 0.624 0.006 . 2 . 628 . . 627 VAL HG23 . 18604 1 810 . 1 1 66 66 VAL C C 13 175.889 0.05 . 1 . 1381 . . 627 VAL C . 18604 1 811 . 1 1 66 66 VAL CA C 13 60.014 0.081 . 1 . 459 . . 627 VAL CA . 18604 1 812 . 1 1 66 66 VAL CB C 13 34.098 0.031 . 1 . 460 . . 627 VAL CB . 18604 1 813 . 1 1 66 66 VAL CG1 C 13 21.982 0.053 . 2 . 928 . . 627 VAL CG1 . 18604 1 814 . 1 1 66 66 VAL CG2 C 13 18.762 0.032 . 2 . 927 . . 627 VAL CG2 . 18604 1 815 . 1 1 66 66 VAL N N 15 118.377 0.029 . 1 . 339 . . 627 VAL N . 18604 1 816 . 1 1 67 67 GLN H H 1 8.930 0.002 . 1 . 63 . . 628 GLN H . 18604 1 817 . 1 1 67 67 GLN HA H 1 4.272 0.008 . 1 . 463 . . 628 GLN HA . 18604 1 818 . 1 1 67 67 GLN HB2 H 1 2.015 0.007 . 2 . 464 . . 628 GLN HB2 . 18604 1 819 . 1 1 67 67 GLN HB3 H 1 1.616 0.007 . 2 . 465 . . 628 GLN HB3 . 18604 1 820 . 1 1 67 67 GLN HG2 H 1 2.292 0.006 . 2 . 930 . . 628 GLN HG2 . 18604 1 821 . 1 1 67 67 GLN HG3 H 1 2.387 0.003 . 2 . 929 . . 628 GLN HG3 . 18604 1 822 . 1 1 67 67 GLN HE21 H 1 6.760 0.002 . 1 . 1143 . . 628 GLN HE21 . 18604 1 823 . 1 1 67 67 GLN HE22 H 1 7.400 0.002 . 1 . 1142 . . 628 GLN HE22 . 18604 1 824 . 1 1 67 67 GLN C C 13 175.052 0.05 . 1 . 1382 . . 628 GLN C . 18604 1 825 . 1 1 67 67 GLN CA C 13 55.808 0.079 . 1 . 237 . . 628 GLN CA . 18604 1 826 . 1 1 67 67 GLN CB C 13 30.385 0.061 . 1 . 238 . . 628 GLN CB . 18604 1 827 . 1 1 67 67 GLN CG C 13 34.163 0.067 . 1 . 466 . . 628 GLN CG . 18604 1 828 . 1 1 67 67 GLN CD C 13 180.616 0.012 . 1 . 1451 . . 628 GLN CD . 18604 1 829 . 1 1 67 67 GLN N N 15 124.151 0.047 . 1 . 64 . . 628 GLN N . 18604 1 830 . 1 1 67 67 GLN NE2 N 15 112.364 0.029 . 1 . 1141 . . 628 GLN NE2 . 18604 1 831 . 1 1 68 68 SER H H 1 7.940 0.002 . 1 . 93 . . 629 SER H . 18604 1 832 . 1 1 68 68 SER HA H 1 4.699 0.009 . 1 . 469 . . 629 SER HA . 18604 1 833 . 1 1 68 68 SER HB2 H 1 3.850 0.005 . 2 . 1225 . . 629 SER HB2 . 18604 1 834 . 1 1 68 68 SER HB3 H 1 3.915 0.008 . 2 . 470 . . 629 SER HB3 . 18604 1 835 . 1 1 68 68 SER C C 13 173.791 0.05 . 1 . 1383 . . 629 SER C . 18604 1 836 . 1 1 68 68 SER CA C 13 57.649 0.07 . 1 . 235 . . 629 SER CA . 18604 1 837 . 1 1 68 68 SER CB C 13 64.683 0.053 . 1 . 236 . . 629 SER CB . 18604 1 838 . 1 1 68 68 SER N N 15 115.361 0.034 . 1 . 94 . . 629 SER N . 18604 1 839 . 1 1 69 69 CYS H H 1 9.265 0.003 . 1 . 9 . . 630 CYS H . 18604 1 840 . 1 1 69 69 CYS HA H 1 4.578 0.005 . 1 . 629 . . 630 CYS HA . 18604 1 841 . 1 1 69 69 CYS HB2 H 1 2.076 0.008 . 2 . 631 . . 630 CYS HB2 . 18604 1 842 . 1 1 69 69 CYS HB3 H 1 2.732 0.009 . 2 . 630 . . 630 CYS HB3 . 18604 1 843 . 1 1 69 69 CYS C C 13 175.354 0.05 . 1 . 1384 . . 630 CYS C . 18604 1 844 . 1 1 69 69 CYS CA C 13 57.687 0.089 . 1 . 522 . . 630 CYS CA . 18604 1 845 . 1 1 69 69 CYS CB C 13 44.470 0.054 . 1 . 523 . . 630 CYS CB . 18604 1 846 . 1 1 69 69 CYS N N 15 117.465 0.039 . 1 . 10 . . 630 CYS N . 18604 1 847 . 1 1 70 70 GLY H H 1 8.190 0.003 . 1 . 34 . . 631 GLY H . 18604 1 848 . 1 1 70 70 GLY HA2 H 1 3.991 0.005 . 2 . 932 . . 631 GLY HA2 . 18604 1 849 . 1 1 70 70 GLY HA3 H 1 4.622 0.007 . 2 . 931 . . 631 GLY HA3 . 18604 1 850 . 1 1 70 70 GLY C C 13 170.124 0.05 . 1 . 1385 . . 631 GLY C . 18604 1 851 . 1 1 70 70 GLY CA C 13 44.316 0.076 . 1 . 468 . . 631 GLY CA . 18604 1 852 . 1 1 70 70 GLY N N 15 108.767 0.046 . 1 . 467 . . 631 GLY N . 18604 1 853 . 1 1 71 71 PRO HA H 1 4.723 0.005 . 1 . 1261 . . 632 PRO HA . 18604 1 854 . 1 1 71 71 PRO HB2 H 1 1.841 0.005 . 2 . 1123 . . 632 PRO HB2 . 18604 1 855 . 1 1 71 71 PRO HB3 H 1 2.521 0.005 . 2 . 1122 . . 632 PRO HB3 . 18604 1 856 . 1 1 71 71 PRO HG2 H 1 2.170 0.001 . 2 . 1231 . . 632 PRO HG2 . 18604 1 857 . 1 1 71 71 PRO HG3 H 1 2.225 0.008 . 2 . 1230 . . 632 PRO HG3 . 18604 1 858 . 1 1 71 71 PRO HD2 H 1 3.635 0.006 . 2 . 1121 . . 632 PRO HD2 . 18604 1 859 . 1 1 71 71 PRO HD3 H 1 3.888 0.003 . 2 . 1120 . . 632 PRO HD3 . 18604 1 860 . 1 1 71 71 PRO CA C 13 61.751 0.05 . 1 . 1260 . . 632 PRO CA . 18604 1 861 . 1 1 71 71 PRO CB C 13 30.727 0.075 . 1 . 1124 . . 632 PRO CB . 18604 1 862 . 1 1 71 71 PRO CG C 13 27.963 0.053 . 1 . 1229 . . 632 PRO CG . 18604 1 863 . 1 1 71 71 PRO CD C 13 49.420 0.039 . 1 . 1119 . . 632 PRO CD . 18604 1 864 . 1 1 72 72 PRO HA H 1 3.472 0.005 . 1 . 1109 . . 633 PRO HA . 18604 1 865 . 1 1 72 72 PRO HB2 H 1 0.455 0.008 . 2 . 1115 . . 633 PRO HB2 . 18604 1 866 . 1 1 72 72 PRO HB3 H 1 0.528 0.005 . 2 . 1114 . . 633 PRO HB3 . 18604 1 867 . 1 1 72 72 PRO HG2 H 1 1.332 0.005 . 2 . 1111 . . 633 PRO HG2 . 18604 1 868 . 1 1 72 72 PRO HG3 H 1 1.643 0.005 . 2 . 1110 . . 633 PRO HG3 . 18604 1 869 . 1 1 72 72 PRO HD2 H 1 3.590 0.003 . 2 . 1265 . . 633 PRO HD2 . 18604 1 870 . 1 1 72 72 PRO HD3 H 1 3.558 0.004 . 2 . 1264 . . 633 PRO HD3 . 18604 1 871 . 1 1 72 72 PRO CA C 13 60.594 0.035 . 1 . 1108 . . 633 PRO CA . 18604 1 872 . 1 1 72 72 PRO CB C 13 30.033 0.032 . 1 . 1113 . . 633 PRO CB . 18604 1 873 . 1 1 72 72 PRO CG C 13 26.983 0.056 . 1 . 1112 . . 633 PRO CG . 18604 1 874 . 1 1 72 72 PRO CD C 13 50.278 0.012 . 1 . 1263 . . 633 PRO CD . 18604 1 875 . 1 1 73 73 PRO HA H 1 4.312 0.009 . 1 . 846 . . 634 PRO HA . 18604 1 876 . 1 1 73 73 PRO HB2 H 1 2.215 0.002 . 2 . 881 . . 634 PRO HB2 . 18604 1 877 . 1 1 73 73 PRO HB3 H 1 1.742 0.004 . 2 . 847 . . 634 PRO HB3 . 18604 1 878 . 1 1 73 73 PRO HG2 H 1 1.855 0.005 . 1 . 883 . . 634 PRO HG2 . 18604 1 879 . 1 1 73 73 PRO HG3 H 1 1.855 0.005 . 1 . 882 . . 634 PRO HG3 . 18604 1 880 . 1 1 73 73 PRO HD2 H 1 2.768 0.005 . 2 . 1087 . . 634 PRO HD2 . 18604 1 881 . 1 1 73 73 PRO HD3 H 1 2.899 0.006 . 2 . 1086 . . 634 PRO HD3 . 18604 1 882 . 1 1 73 73 PRO C C 13 176.712 0.05 . 1 . 1386 . . 634 PRO C . 18604 1 883 . 1 1 73 73 PRO CA C 13 61.773 0.082 . 1 . 559 . . 634 PRO CA . 18604 1 884 . 1 1 73 73 PRO CB C 13 32.443 0.079 . 1 . 558 . . 634 PRO CB . 18604 1 885 . 1 1 73 73 PRO CG C 13 27.220 0.046 . 1 . 845 . . 634 PRO CG . 18604 1 886 . 1 1 73 73 PRO CD C 13 49.900 0.057 . 1 . 1088 . . 634 PRO CD . 18604 1 887 . 1 1 74 74 GLU H H 1 8.282 0.002 . 1 . 682 . . 635 GLU H . 18604 1 888 . 1 1 74 74 GLU HA H 1 4.091 0.004 . 1 . 687 . . 635 GLU HA . 18604 1 889 . 1 1 74 74 GLU HB2 H 1 1.825 0.004 . 1 . 689 . . 635 GLU HB2 . 18604 1 890 . 1 1 74 74 GLU HB3 H 1 1.825 0.004 . 1 . 688 . . 635 GLU HB3 . 18604 1 891 . 1 1 74 74 GLU HG2 H 1 2.231 0.006 . 2 . 691 . . 635 GLU HG2 . 18604 1 892 . 1 1 74 74 GLU HG3 H 1 2.056 0.004 . 2 . 690 . . 635 GLU HG3 . 18604 1 893 . 1 1 74 74 GLU C C 13 174.747 0.05 . 1 . 1387 . . 635 GLU C . 18604 1 894 . 1 1 74 74 GLU CA C 13 56.497 0.085 . 1 . 683 . . 635 GLU CA . 18604 1 895 . 1 1 74 74 GLU CB C 13 30.396 0.058 . 1 . 685 . . 635 GLU CB . 18604 1 896 . 1 1 74 74 GLU CG C 13 36.419 0.04 . 1 . 686 . . 635 GLU CG . 18604 1 897 . 1 1 74 74 GLU N N 15 120.720 0.058 . 1 . 684 . . 635 GLU N . 18604 1 898 . 1 1 75 75 LEU H H 1 8.759 0.002 . 1 . 65 . . 636 LEU H . 18604 1 899 . 1 1 75 75 LEU HA H 1 4.242 0.004 . 1 . 335 . . 636 LEU HA . 18604 1 900 . 1 1 75 75 LEU HB2 H 1 0.736 0.005 . 2 . 337 . . 636 LEU HB2 . 18604 1 901 . 1 1 75 75 LEU HB3 H 1 1.398 0.004 . 2 . 336 . . 636 LEU HB3 . 18604 1 902 . 1 1 75 75 LEU HG H 1 0.928 0.004 . 1 . 860 . . 636 LEU HG . 18604 1 903 . 1 1 75 75 LEU HD11 H 1 0.392 0.006 . 2 . 1183 . . 636 LEU HD11 . 18604 1 904 . 1 1 75 75 LEU HD12 H 1 0.392 0.006 . 2 . 1183 . . 636 LEU HD12 . 18604 1 905 . 1 1 75 75 LEU HD13 H 1 0.392 0.006 . 2 . 1183 . . 636 LEU HD13 . 18604 1 906 . 1 1 75 75 LEU HD21 H 1 0.486 0.002 . 2 . 861 . . 636 LEU HD21 . 18604 1 907 . 1 1 75 75 LEU HD22 H 1 0.486 0.002 . 2 . 861 . . 636 LEU HD22 . 18604 1 908 . 1 1 75 75 LEU HD23 H 1 0.486 0.002 . 2 . 861 . . 636 LEU HD23 . 18604 1 909 . 1 1 75 75 LEU C C 13 175.579 0.05 . 1 . 1388 . . 636 LEU C . 18604 1 910 . 1 1 75 75 LEU CA C 13 52.388 0.075 . 1 . 233 . . 636 LEU CA . 18604 1 911 . 1 1 75 75 LEU CB C 13 44.384 0.051 . 1 . 234 . . 636 LEU CB . 18604 1 912 . 1 1 75 75 LEU CG C 13 26.687 0.067 . 1 . 933 . . 636 LEU CG . 18604 1 913 . 1 1 75 75 LEU CD1 C 13 28.102 0.053 . 2 . 1182 . . 636 LEU CD1 . 18604 1 914 . 1 1 75 75 LEU CD2 C 13 24.432 0.078 . 2 . 1184 . . 636 LEU CD2 . 18604 1 915 . 1 1 75 75 LEU N N 15 127.043 0.027 . 1 . 66 . . 636 LEU N . 18604 1 916 . 1 1 76 76 LEU H H 1 8.488 0.001 . 1 . 134 . . 637 LEU H . 18604 1 917 . 1 1 76 76 LEU HA H 1 3.932 0.004 . 1 . 333 . . 637 LEU HA . 18604 1 918 . 1 1 76 76 LEU HB2 H 1 1.435 0.004 . 1 . 692 . . 637 LEU HB2 . 18604 1 919 . 1 1 76 76 LEU HB3 H 1 1.435 0.004 . 1 . 334 . . 637 LEU HB3 . 18604 1 920 . 1 1 76 76 LEU HG H 1 1.498 0.007 . 1 . 560 . . 637 LEU HG . 18604 1 921 . 1 1 76 76 LEU HD11 H 1 0.810 0.009 . 2 . 1016 . . 637 LEU HD11 . 18604 1 922 . 1 1 76 76 LEU HD12 H 1 0.810 0.009 . 2 . 1016 . . 637 LEU HD12 . 18604 1 923 . 1 1 76 76 LEU HD13 H 1 0.810 0.009 . 2 . 1016 . . 637 LEU HD13 . 18604 1 924 . 1 1 76 76 LEU HD21 H 1 0.828 0.006 . 2 . 1017 . . 637 LEU HD21 . 18604 1 925 . 1 1 76 76 LEU HD22 H 1 0.828 0.006 . 2 . 1017 . . 637 LEU HD22 . 18604 1 926 . 1 1 76 76 LEU HD23 H 1 0.828 0.006 . 2 . 1017 . . 637 LEU HD23 . 18604 1 927 . 1 1 76 76 LEU C C 13 177.913 0.05 . 1 . 1389 . . 637 LEU C . 18604 1 928 . 1 1 76 76 LEU CA C 13 56.420 0.106 . 1 . 231 . . 637 LEU CA . 18604 1 929 . 1 1 76 76 LEU CB C 13 40.903 0.057 . 1 . 232 . . 637 LEU CB . 18604 1 930 . 1 1 76 76 LEU CG C 13 26.712 0.038 . 1 . 1014 . . 637 LEU CG . 18604 1 931 . 1 1 76 76 LEU CD1 C 13 24.610 0.04 . 2 . 1018 . . 637 LEU CD1 . 18604 1 932 . 1 1 76 76 LEU CD2 C 13 23.531 0.051 . 2 . 1015 . . 637 LEU CD2 . 18604 1 933 . 1 1 76 76 LEU N N 15 131.072 0.036 . 1 . 135 . . 637 LEU N . 18604 1 934 . 1 1 77 77 ASN H H 1 9.000 0.002 . 1 . 43 . . 638 ASN H . 18604 1 935 . 1 1 77 77 ASN HA H 1 3.681 0.005 . 1 . 693 . . 638 ASN HA . 18604 1 936 . 1 1 77 77 ASN HB2 H 1 1.053 0.004 . 2 . 695 . . 638 ASN HB2 . 18604 1 937 . 1 1 77 77 ASN HB3 H 1 2.222 0.001 . 2 . 694 . . 638 ASN HB3 . 18604 1 938 . 1 1 77 77 ASN HD21 H 1 6.980 0.001 . 1 . 1275 . . 638 ASN HD21 . 18604 1 939 . 1 1 77 77 ASN HD22 H 1 7.494 0.002 . 1 . 1274 . . 638 ASN HD22 . 18604 1 940 . 1 1 77 77 ASN C C 13 172.318 0.05 . 1 . 1390 . . 638 ASN C . 18604 1 941 . 1 1 77 77 ASN CA C 13 55.559 0.091 . 1 . 230 . . 638 ASN CA . 18604 1 942 . 1 1 77 77 ASN CB C 13 36.053 0.058 . 1 . 561 . . 638 ASN CB . 18604 1 943 . 1 1 77 77 ASN CG C 13 179.109 0.014 . 1 . 1443 . . 638 ASN CG . 18604 1 944 . 1 1 77 77 ASN N N 15 117.275 0.035 . 1 . 44 . . 638 ASN N . 18604 1 945 . 1 1 77 77 ASN ND2 N 15 118.092 0.022 . 1 . 121 . . 638 ASN ND2 . 18604 1 946 . 1 1 78 78 GLY H H 1 7.690 0.004 . 1 . 204 . . 639 GLY H . 18604 1 947 . 1 1 78 78 GLY HA2 H 1 3.722 0.005 . 2 . 563 . . 639 GLY HA2 . 18604 1 948 . 1 1 78 78 GLY HA3 H 1 4.164 0.006 . 2 . 562 . . 639 GLY HA3 . 18604 1 949 . 1 1 78 78 GLY C C 13 171.923 0.05 . 1 . 1391 . . 639 GLY C . 18604 1 950 . 1 1 78 78 GLY CA C 13 45.667 0.096 . 1 . 227 . . 639 GLY CA . 18604 1 951 . 1 1 78 78 GLY N N 15 104.512 0.03 . 1 . 205 . . 639 GLY N . 18604 1 952 . 1 1 79 79 ASN H H 1 8.507 0.002 . 1 . 83 . . 640 ASN H . 18604 1 953 . 1 1 79 79 ASN HA H 1 4.926 0.004 . 1 . 564 . . 640 ASN HA . 18604 1 954 . 1 1 79 79 ASN HB2 H 1 2.045 0.004 . 2 . 566 . . 640 ASN HB2 . 18604 1 955 . 1 1 79 79 ASN HB3 H 1 2.345 0.005 . 2 . 565 . . 640 ASN HB3 . 18604 1 956 . 1 1 79 79 ASN HD21 H 1 6.970 0.001 . 1 . 1134 . . 640 ASN HD21 . 18604 1 957 . 1 1 79 79 ASN HD22 H 1 7.044 0.001 . 1 . 1133 . . 640 ASN HD22 . 18604 1 958 . 1 1 79 79 ASN C C 13 172.947 0.05 . 1 . 1392 . . 640 ASN C . 18604 1 959 . 1 1 79 79 ASN CA C 13 51.968 0.078 . 1 . 293 . . 640 ASN CA . 18604 1 960 . 1 1 79 79 ASN CB C 13 43.409 0.061 . 1 . 292 . . 640 ASN CB . 18604 1 961 . 1 1 79 79 ASN CG C 13 178.462 0.012 . 1 . 1444 . . 640 ASN CG . 18604 1 962 . 1 1 79 79 ASN N N 15 116.594 0.044 . 1 . 84 . . 640 ASN N . 18604 1 963 . 1 1 79 79 ASN ND2 N 15 113.307 0.032 . 1 . 1132 . . 640 ASN ND2 . 18604 1 964 . 1 1 80 80 VAL H H 1 8.180 0.003 . 1 . 89 . . 641 VAL H . 18604 1 965 . 1 1 80 80 VAL HA H 1 4.008 0.006 . 1 . 697 . . 641 VAL HA . 18604 1 966 . 1 1 80 80 VAL HB H 1 1.792 0.002 . 1 . 869 . . 641 VAL HB . 18604 1 967 . 1 1 80 80 VAL HG11 H 1 0.444 0.002 . 2 . 568 . . 641 VAL HG11 . 18604 1 968 . 1 1 80 80 VAL HG12 H 1 0.444 0.002 . 2 . 568 . . 641 VAL HG12 . 18604 1 969 . 1 1 80 80 VAL HG13 H 1 0.444 0.002 . 2 . 568 . . 641 VAL HG13 . 18604 1 970 . 1 1 80 80 VAL HG21 H 1 0.583 0.001 . 2 . 567 . . 641 VAL HG21 . 18604 1 971 . 1 1 80 80 VAL HG22 H 1 0.583 0.001 . 2 . 567 . . 641 VAL HG22 . 18604 1 972 . 1 1 80 80 VAL HG23 H 1 0.583 0.001 . 2 . 567 . . 641 VAL HG23 . 18604 1 973 . 1 1 80 80 VAL C C 13 176.739 0.05 . 1 . 1393 . . 641 VAL C . 18604 1 974 . 1 1 80 80 VAL CA C 13 60.738 0.07 . 1 . 269 . . 641 VAL CA . 18604 1 975 . 1 1 80 80 VAL CB C 13 32.854 0.006 . 1 . 696 . . 641 VAL CB . 18604 1 976 . 1 1 80 80 VAL CG1 C 13 22.293 0.049 . 2 . 1013 . . 641 VAL CG1 . 18604 1 977 . 1 1 80 80 VAL CG2 C 13 20.300 0.05 . 2 . 934 . . 641 VAL CG2 . 18604 1 978 . 1 1 80 80 VAL N N 15 115.993 0.038 . 1 . 90 . . 641 VAL N . 18604 1 979 . 1 1 81 81 LYS H H 1 8.408 0.005 . 1 . 158 . . 642 LYS H . 18604 1 980 . 1 1 81 81 LYS HA H 1 4.134 0.004 . 1 . 571 . . 642 LYS HA . 18604 1 981 . 1 1 81 81 LYS HB2 H 1 1.573 0.002 . 2 . 699 . . 642 LYS HB2 . 18604 1 982 . 1 1 81 81 LYS HB3 H 1 1.813 0.005 . 2 . 698 . . 642 LYS HB3 . 18604 1 983 . 1 1 81 81 LYS HG2 H 1 1.348 0.003 . 1 . 573 . . 642 LYS HG2 . 18604 1 984 . 1 1 81 81 LYS HG3 H 1 1.348 0.003 . 1 . 574 . . 642 LYS HG3 . 18604 1 985 . 1 1 81 81 LYS HD2 H 1 1.533 0.003 . 1 . 1079 . . 642 LYS HD2 . 18604 1 986 . 1 1 81 81 LYS HD3 H 1 1.533 0.003 . 1 . 1078 . . 642 LYS HD3 . 18604 1 987 . 1 1 81 81 LYS HE2 H 1 2.815 0.008 . 1 . 1081 . . 642 LYS HE2 . 18604 1 988 . 1 1 81 81 LYS HE3 H 1 2.815 0.008 . 1 . 1080 . . 642 LYS HE3 . 18604 1 989 . 1 1 81 81 LYS C C 13 176.427 0.05 . 1 . 1394 . . 642 LYS C . 18604 1 990 . 1 1 81 81 LYS CA C 13 58.682 0.081 . 1 . 569 . . 642 LYS CA . 18604 1 991 . 1 1 81 81 LYS CB C 13 33.938 0.08 . 1 . 570 . . 642 LYS CB . 18604 1 992 . 1 1 81 81 LYS CG C 13 25.857 0.062 . 1 . 572 . . 642 LYS CG . 18604 1 993 . 1 1 81 81 LYS CD C 13 29.380 0.063 . 1 . 1083 . . 642 LYS CD . 18604 1 994 . 1 1 81 81 LYS CE C 13 42.065 0.014 . 1 . 1082 . . 642 LYS CE . 18604 1 995 . 1 1 81 81 LYS N N 15 123.547 0.031 . 1 . 159 . . 642 LYS N . 18604 1 996 . 1 1 82 82 GLU H H 1 7.785 0.002 . 1 . 95 . . 643 GLU H . 18604 1 997 . 1 1 82 82 GLU HA H 1 4.474 0.003 . 1 . 576 . . 643 GLU HA . 18604 1 998 . 1 1 82 82 GLU HB2 H 1 2.113 0.005 . 2 . 700 . . 643 GLU HB2 . 18604 1 999 . 1 1 82 82 GLU HB3 H 1 1.897 0.001 . 2 . 577 . . 643 GLU HB3 . 18604 1 1000 . 1 1 82 82 GLU HG2 H 1 2.232 0.007 . 1 . 580 . . 643 GLU HG2 . 18604 1 1001 . 1 1 82 82 GLU HG3 H 1 2.232 0.007 . 1 . 579 . . 643 GLU HG3 . 18604 1 1002 . 1 1 82 82 GLU C C 13 175.226 0.05 . 1 . 1395 . . 643 GLU C . 18604 1 1003 . 1 1 82 82 GLU CA C 13 54.854 0.092 . 1 . 575 . . 643 GLU CA . 18604 1 1004 . 1 1 82 82 GLU CB C 13 31.871 0.008 . 1 . 294 . . 643 GLU CB . 18604 1 1005 . 1 1 82 82 GLU CG C 13 36.106 0.072 . 1 . 578 . . 643 GLU CG . 18604 1 1006 . 1 1 82 82 GLU N N 15 116.574 0.034 . 1 . 96 . . 643 GLU N . 18604 1 1007 . 1 1 83 83 LYS H H 1 8.356 0.004 . 1 . 182 . . 644 LYS H . 18604 1 1008 . 1 1 83 83 LYS HA H 1 4.263 0.013 . 1 . 582 . . 644 LYS HA . 18604 1 1009 . 1 1 83 83 LYS HB2 H 1 1.768 0.005 . 1 . 585 . . 644 LYS HB2 . 18604 1 1010 . 1 1 83 83 LYS HB3 H 1 1.768 0.005 . 1 . 584 . . 644 LYS HB3 . 18604 1 1011 . 1 1 83 83 LYS HG2 H 1 1.304 0.004 . 2 . 935 . . 644 LYS HG2 . 18604 1 1012 . 1 1 83 83 LYS HG3 H 1 1.494 0.003 . 2 . 587 . . 644 LYS HG3 . 18604 1 1013 . 1 1 83 83 LYS HD2 H 1 1.688 0.005 . 1 . 1012 . . 644 LYS HD2 . 18604 1 1014 . 1 1 83 83 LYS HD3 H 1 1.688 0.005 . 1 . 1011 . . 644 LYS HD3 . 18604 1 1015 . 1 1 83 83 LYS HE2 H 1 2.956 0.003 . 2 . 936 . . 644 LYS HE2 . 18604 1 1016 . 1 1 83 83 LYS HE3 H 1 3.017 0.001 . 2 . 586 . . 644 LYS HE3 . 18604 1 1017 . 1 1 83 83 LYS C C 13 177.566 0.05 . 1 . 1396 . . 644 LYS C . 18604 1 1018 . 1 1 83 83 LYS CA C 13 56.849 0.009 . 1 . 583 . . 644 LYS CA . 18604 1 1019 . 1 1 83 83 LYS CB C 13 32.564 0.071 . 1 . 581 . . 644 LYS CB . 18604 1 1020 . 1 1 83 83 LYS CG C 13 24.828 0.113 . 1 . 702 . . 644 LYS CG . 18604 1 1021 . 1 1 83 83 LYS CD C 13 29.469 0.037 . 1 . 701 . . 644 LYS CD . 18604 1 1022 . 1 1 83 83 LYS CE C 13 42.200 0.009 . 1 . 937 . . 644 LYS CE . 18604 1 1023 . 1 1 83 83 LYS N N 15 121.608 0.034 . 1 . 183 . . 644 LYS N . 18604 1 1024 . 1 1 84 84 THR H H 1 8.311 0.002 . 1 . 97 . . 645 THR H . 18604 1 1025 . 1 1 84 84 THR HA H 1 4.288 0.004 . 1 . 589 . . 645 THR HA . 18604 1 1026 . 1 1 84 84 THR HB H 1 4.410 0.002 . 1 . 588 . . 645 THR HB . 18604 1 1027 . 1 1 84 84 THR HG21 H 1 1.297 0.01 . 1 . 591 . . 645 THR HG21 . 18604 1 1028 . 1 1 84 84 THR HG22 H 1 1.297 0.01 . 1 . 591 . . 645 THR HG22 . 18604 1 1029 . 1 1 84 84 THR HG23 H 1 1.297 0.01 . 1 . 591 . . 645 THR HG23 . 18604 1 1030 . 1 1 84 84 THR C C 13 174.594 0.05 . 1 . 1397 . . 645 THR C . 18604 1 1031 . 1 1 84 84 THR CA C 13 61.852 0.06 . 1 . 247 . . 645 THR CA . 18604 1 1032 . 1 1 84 84 THR CB C 13 70.441 0.038 . 1 . 246 . . 645 THR CB . 18604 1 1033 . 1 1 84 84 THR CG2 C 13 22.695 0.039 . 1 . 590 . . 645 THR CG2 . 18604 1 1034 . 1 1 84 84 THR N N 15 116.650 0.042 . 1 . 98 . . 645 THR N . 18604 1 1035 . 1 1 85 85 LYS H H 1 8.010 0.002 . 1 . 212 . . 646 LYS H . 18604 1 1036 . 1 1 85 85 LYS HA H 1 4.618 0.004 . 1 . 592 . . 646 LYS HA . 18604 1 1037 . 1 1 85 85 LYS HB2 H 1 1.291 0.008 . 2 . 593 . . 646 LYS HB2 . 18604 1 1038 . 1 1 85 85 LYS HB3 H 1 1.686 0.005 . 2 . 704 . . 646 LYS HB3 . 18604 1 1039 . 1 1 85 85 LYS HG2 H 1 0.970 0.008 . 1 . 943 . . 646 LYS HG2 . 18604 1 1040 . 1 1 85 85 LYS HG3 H 1 0.970 0.008 . 1 . 942 . . 646 LYS HG3 . 18604 1 1041 . 1 1 85 85 LYS HD2 H 1 1.195 0.008 . 1 . 941 . . 646 LYS HD2 . 18604 1 1042 . 1 1 85 85 LYS HD3 H 1 1.195 0.008 . 1 . 940 . . 646 LYS HD3 . 18604 1 1043 . 1 1 85 85 LYS HE2 H 1 2.440 0.008 . 2 . 939 . . 646 LYS HE2 . 18604 1 1044 . 1 1 85 85 LYS HE3 H 1 2.583 0.007 . 2 . 938 . . 646 LYS HE3 . 18604 1 1045 . 1 1 85 85 LYS C C 13 176.010 0.05 . 1 . 1398 . . 646 LYS C . 18604 1 1046 . 1 1 85 85 LYS CA C 13 54.836 0.07 . 1 . 242 . . 646 LYS CA . 18604 1 1047 . 1 1 85 85 LYS CB C 13 34.392 0.058 . 1 . 243 . . 646 LYS CB . 18604 1 1048 . 1 1 85 85 LYS CG C 13 24.646 0.059 . 1 . 703 . . 646 LYS CG . 18604 1 1049 . 1 1 85 85 LYS CD C 13 24.655 0.028 . 1 . 945 . . 646 LYS CD . 18604 1 1050 . 1 1 85 85 LYS CE C 13 41.830 0.108 . 1 . 944 . . 646 LYS CE . 18604 1 1051 . 1 1 85 85 LYS N N 15 120.337 0.054 . 1 . 213 . . 646 LYS N . 18604 1 1052 . 1 1 86 86 GLU H H 1 8.402 0.002 . 1 . 85 . . 647 GLU H . 18604 1 1053 . 1 1 86 86 GLU HA H 1 4.226 0.003 . 1 . 707 . . 647 GLU HA . 18604 1 1054 . 1 1 86 86 GLU HB2 H 1 1.931 0.003 . 2 . 709 . . 647 GLU HB2 . 18604 1 1055 . 1 1 86 86 GLU HB3 H 1 2.109 0.003 . 2 . 708 . . 647 GLU HB3 . 18604 1 1056 . 1 1 86 86 GLU HG2 H 1 2.259 0.009 . 2 . 1010 . . 647 GLU HG2 . 18604 1 1057 . 1 1 86 86 GLU HG3 H 1 2.329 0.006 . 2 . 710 . . 647 GLU HG3 . 18604 1 1058 . 1 1 86 86 GLU C C 13 175.797 0.05 . 1 . 1399 . . 647 GLU C . 18604 1 1059 . 1 1 86 86 GLU CA C 13 57.974 0.093 . 1 . 244 . . 647 GLU CA . 18604 1 1060 . 1 1 86 86 GLU CB C 13 30.414 0.081 . 1 . 226 . . 647 GLU CB . 18604 1 1061 . 1 1 86 86 GLU CG C 13 36.755 0.036 . 1 . 711 . . 647 GLU CG . 18604 1 1062 . 1 1 86 86 GLU N N 15 116.991 0.029 . 1 . 86 . . 647 GLU N . 18604 1 1063 . 1 1 87 87 GLU H H 1 7.186 0.003 . 1 . 160 . . 648 GLU H . 18604 1 1064 . 1 1 87 87 GLU HA H 1 4.826 0.008 . 1 . 720 . . 648 GLU HA . 18604 1 1065 . 1 1 87 87 GLU HB2 H 1 1.841 0.002 . 1 . 722 . . 648 GLU HB2 . 18604 1 1066 . 1 1 87 87 GLU HB3 H 1 1.841 0.002 . 1 . 721 . . 648 GLU HB3 . 18604 1 1067 . 1 1 87 87 GLU HG2 H 1 2.054 0.012 . 2 . 723 . . 648 GLU HG2 . 18604 1 1068 . 1 1 87 87 GLU HG3 H 1 2.123 0.004 . 2 . 1224 . . 648 GLU HG3 . 18604 1 1069 . 1 1 87 87 GLU C C 13 173.913 0.05 . 1 . 1400 . . 648 GLU C . 18604 1 1070 . 1 1 87 87 GLU CA C 13 55.336 0.009 . 1 . 705 . . 648 GLU CA . 18604 1 1071 . 1 1 87 87 GLU CB C 13 33.156 0.074 . 1 . 706 . . 648 GLU CB . 18604 1 1072 . 1 1 87 87 GLU CG C 13 36.214 0.114 . 1 . 719 . . 648 GLU CG . 18604 1 1073 . 1 1 87 87 GLU N N 15 115.655 0.03 . 1 . 161 . . 648 GLU N . 18604 1 1074 . 1 1 88 88 TYR H H 1 8.934 0.004 . 1 . 712 . . 649 TYR H . 18604 1 1075 . 1 1 88 88 TYR HA H 1 4.437 0.003 . 1 . 946 . . 649 TYR HA . 18604 1 1076 . 1 1 88 88 TYR HB2 H 1 2.748 0.002 . 2 . 1177 . . 649 TYR HB2 . 18604 1 1077 . 1 1 88 88 TYR HB3 H 1 2.641 0.005 . 2 . 1176 . . 649 TYR HB3 . 18604 1 1078 . 1 1 88 88 TYR HD1 H 1 7.099 0.006 . 3 . 1232 . . 649 TYR HD1 . 18604 1 1079 . 1 1 88 88 TYR HD2 H 1 7.099 0.006 . 3 . 1233 . . 649 TYR HD2 . 18604 1 1080 . 1 1 88 88 TYR HE1 H 1 6.882 0.007 . 3 . 1178 . . 649 TYR HE1 . 18604 1 1081 . 1 1 88 88 TYR HE2 H 1 6.882 0.007 . 3 . 1179 . . 649 TYR HE2 . 18604 1 1082 . 1 1 88 88 TYR C C 13 174.517 0.05 . 1 . 1401 . . 649 TYR C . 18604 1 1083 . 1 1 88 88 TYR CA C 13 56.944 0.106 . 1 . 714 . . 649 TYR CA . 18604 1 1084 . 1 1 88 88 TYR CB C 13 42.178 0.086 . 1 . 715 . . 649 TYR CB . 18604 1 1085 . 1 1 88 88 TYR CD1 C 13 133.101 0.05 . 3 . 1234 . . 649 TYR CD1 . 18604 1 1086 . 1 1 88 88 TYR CD2 C 13 133.101 0.05 . 3 . 1235 . . 649 TYR CD2 . 18604 1 1087 . 1 1 88 88 TYR CE1 C 13 118.714 0.046 . 3 . 1180 . . 649 TYR CE1 . 18604 1 1088 . 1 1 88 88 TYR CE2 C 13 118.714 0.046 . 3 . 1181 . . 649 TYR CE2 . 18604 1 1089 . 1 1 88 88 TYR N N 15 123.437 0.058 . 1 . 713 . . 649 TYR N . 18604 1 1090 . 1 1 89 89 GLY H H 1 9.154 0.005 . 1 . 5 . . 650 GLY H . 18604 1 1091 . 1 1 89 89 GLY HA2 H 1 3.625 0.01 . 2 . 725 . . 650 GLY HA2 . 18604 1 1092 . 1 1 89 89 GLY HA3 H 1 4.159 0.009 . 2 . 724 . . 650 GLY HA3 . 18604 1 1093 . 1 1 89 89 GLY C C 13 173.699 0.05 . 1 . 1402 . . 650 GLY C . 18604 1 1094 . 1 1 89 89 GLY CA C 13 44.275 0.088 . 1 . 716 . . 650 GLY CA . 18604 1 1095 . 1 1 89 89 GLY N N 15 109.553 0.038 . 1 . 6 . . 650 GLY N . 18604 1 1096 . 1 1 90 90 HIS H H 1 8.343 0.002 . 1 . 132 . . 651 HIS H . 18604 1 1097 . 1 1 90 90 HIS HA H 1 4.043 0.009 . 1 . 1244 . . 651 HIS HA . 18604 1 1098 . 1 1 90 90 HIS HB2 H 1 3.030 0.01 . 2 . 1243 . . 651 HIS HB2 . 18604 1 1099 . 1 1 90 90 HIS HB3 H 1 2.765 0.01 . 2 . 1242 . . 651 HIS HB3 . 18604 1 1100 . 1 1 90 90 HIS HD2 H 1 6.999 0.009 . 1 . 1237 . . 651 HIS HD2 . 18604 1 1101 . 1 1 90 90 HIS HE1 H 1 7.725 0.006 . 1 . 1318 . . 651 HIS HE1 . 18604 1 1102 . 1 1 90 90 HIS C C 13 177.600 0.05 . 1 . 1403 . . 651 HIS C . 18604 1 1103 . 1 1 90 90 HIS CA C 13 58.875 0.034 . 1 . 717 . . 651 HIS CA . 18604 1 1104 . 1 1 90 90 HIS CB C 13 31.465 0.078 . 1 . 718 . . 651 HIS CB . 18604 1 1105 . 1 1 90 90 HIS CD2 C 13 118.717 0.043 . 1 . 1236 . . 651 HIS CD2 . 18604 1 1106 . 1 1 90 90 HIS CE1 C 13 138.195 0.074 . 1 . 1317 . . 651 HIS CE1 . 18604 1 1107 . 1 1 90 90 HIS N N 15 120.315 0.038 . 1 . 133 . . 651 HIS N . 18604 1 1108 . 1 1 91 91 SER H H 1 9.206 0.004 . 1 . 15 . . 652 SER H . 18604 1 1109 . 1 1 91 91 SER HA H 1 3.780 0.015 . 1 . 1215 . . 652 SER HA . 18604 1 1110 . 1 1 91 91 SER HB2 H 1 3.634 0.007 . 2 . 1190 . . 652 SER HB2 . 18604 1 1111 . 1 1 91 91 SER HB3 H 1 4.048 0.006 . 2 . 1189 . . 652 SER HB3 . 18604 1 1112 . 1 1 91 91 SER C C 13 174.411 0.05 . 1 . 1404 . . 652 SER C . 18604 1 1113 . 1 1 91 91 SER CA C 13 61.548 0.087 . 1 . 1191 . . 652 SER CA . 18604 1 1114 . 1 1 91 91 SER CB C 13 63.436 0.083 . 1 . 1192 . . 652 SER CB . 18604 1 1115 . 1 1 91 91 SER N N 15 122.684 0.044 . 1 . 16 . . 652 SER N . 18604 1 1116 . 1 1 92 92 GLU H H 1 8.270 0.004 . 1 . 173 . . 653 GLU H . 18604 1 1117 . 1 1 92 92 GLU HA H 1 4.358 0.006 . 1 . 646 . . 653 GLU HA . 18604 1 1118 . 1 1 92 92 GLU HB2 H 1 2.413 0.008 . 2 . 647 . . 653 GLU HB2 . 18604 1 1119 . 1 1 92 92 GLU HB3 H 1 2.481 0.002 . 2 . 1009 . . 653 GLU HB3 . 18604 1 1120 . 1 1 92 92 GLU HG2 H 1 2.325 0.002 . 1 . 865 . . 653 GLU HG2 . 18604 1 1121 . 1 1 92 92 GLU HG3 H 1 2.325 0.002 . 1 . 864 . . 653 GLU HG3 . 18604 1 1122 . 1 1 92 92 GLU C C 13 175.169 0.05 . 1 . 1405 . . 653 GLU C . 18604 1 1123 . 1 1 92 92 GLU CA C 13 59.458 0.054 . 1 . 642 . . 653 GLU CA . 18604 1 1124 . 1 1 92 92 GLU CB C 13 31.438 0.057 . 1 . 643 . . 653 GLU CB . 18604 1 1125 . 1 1 92 92 GLU CG C 13 38.894 0.11 . 1 . 648 . . 653 GLU CG . 18604 1 1126 . 1 1 92 92 GLU N N 15 123.824 0.029 . 1 . 174 . . 653 GLU N . 18604 1 1127 . 1 1 93 93 VAL H H 1 8.271 0.003 . 1 . 99 . . 654 VAL H . 18604 1 1128 . 1 1 93 93 VAL HA H 1 5.466 0.008 . 1 . 651 . . 654 VAL HA . 18604 1 1129 . 1 1 93 93 VAL HB H 1 1.955 0.002 . 1 . 652 . . 654 VAL HB . 18604 1 1130 . 1 1 93 93 VAL HG11 H 1 0.974 0.009 . 2 . 654 . . 654 VAL HG11 . 18604 1 1131 . 1 1 93 93 VAL HG12 H 1 0.974 0.009 . 2 . 654 . . 654 VAL HG12 . 18604 1 1132 . 1 1 93 93 VAL HG13 H 1 0.974 0.009 . 2 . 654 . . 654 VAL HG13 . 18604 1 1133 . 1 1 93 93 VAL HG21 H 1 0.937 0.009 . 2 . 655 . . 654 VAL HG21 . 18604 1 1134 . 1 1 93 93 VAL HG22 H 1 0.937 0.009 . 2 . 655 . . 654 VAL HG22 . 18604 1 1135 . 1 1 93 93 VAL HG23 H 1 0.937 0.009 . 2 . 655 . . 654 VAL HG23 . 18604 1 1136 . 1 1 93 93 VAL C C 13 176.111 0.05 . 1 . 1406 . . 654 VAL C . 18604 1 1137 . 1 1 93 93 VAL CA C 13 60.121 0.073 . 1 . 644 . . 654 VAL CA . 18604 1 1138 . 1 1 93 93 VAL CB C 13 35.644 0.08 . 1 . 645 . . 654 VAL CB . 18604 1 1139 . 1 1 93 93 VAL CG1 C 13 20.554 0.043 . 2 . 1008 . . 654 VAL CG1 . 18604 1 1140 . 1 1 93 93 VAL CG2 C 13 21.670 0.067 . 2 . 653 . . 654 VAL CG2 . 18604 1 1141 . 1 1 93 93 VAL N N 15 120.830 0.04 . 1 . 72 . . 654 VAL N . 18604 1 1142 . 1 1 94 94 VAL H H 1 8.552 0.002 . 1 . 71 . . 655 VAL H . 18604 1 1143 . 1 1 94 94 VAL HA H 1 4.168 0.006 . 1 . 658 . . 655 VAL HA . 18604 1 1144 . 1 1 94 94 VAL HB H 1 1.317 0.008 . 1 . 659 . . 655 VAL HB . 18604 1 1145 . 1 1 94 94 VAL HG11 H 1 0.370 0.006 . 2 . 660 . . 655 VAL HG11 . 18604 1 1146 . 1 1 94 94 VAL HG12 H 1 0.370 0.006 . 2 . 660 . . 655 VAL HG12 . 18604 1 1147 . 1 1 94 94 VAL HG13 H 1 0.370 0.006 . 2 . 660 . . 655 VAL HG13 . 18604 1 1148 . 1 1 94 94 VAL HG21 H 1 0.344 0.004 . 2 . 1006 . . 655 VAL HG21 . 18604 1 1149 . 1 1 94 94 VAL HG22 H 1 0.344 0.004 . 2 . 1006 . . 655 VAL HG22 . 18604 1 1150 . 1 1 94 94 VAL HG23 H 1 0.344 0.004 . 2 . 1006 . . 655 VAL HG23 . 18604 1 1151 . 1 1 94 94 VAL C C 13 173.402 0.05 . 1 . 1407 . . 655 VAL C . 18604 1 1152 . 1 1 94 94 VAL CA C 13 61.564 0.091 . 1 . 649 . . 655 VAL CA . 18604 1 1153 . 1 1 94 94 VAL CB C 13 35.298 0.028 . 1 . 650 . . 655 VAL CB . 18604 1 1154 . 1 1 94 94 VAL CG1 C 13 22.879 0.045 . 2 . 1007 . . 655 VAL CG1 . 18604 1 1155 . 1 1 94 94 VAL CG2 C 13 21.613 0.023 . 2 . 1005 . . 655 VAL CG2 . 18604 1 1156 . 1 1 94 94 VAL N N 15 124.465 0.023 . 1 . 120 . . 655 VAL N . 18604 1 1157 . 1 1 95 95 GLU H H 1 8.282 0.007 . 1 . 156 . . 656 GLU H . 18604 1 1158 . 1 1 95 95 GLU HA H 1 5.180 0.003 . 1 . 662 . . 656 GLU HA . 18604 1 1159 . 1 1 95 95 GLU HB2 H 1 1.808 0.004 . 2 . 664 . . 656 GLU HB2 . 18604 1 1160 . 1 1 95 95 GLU HB3 H 1 1.871 0.004 . 2 . 663 . . 656 GLU HB3 . 18604 1 1161 . 1 1 95 95 GLU HG2 H 1 2.139 0.003 . 2 . 666 . . 656 GLU HG2 . 18604 1 1162 . 1 1 95 95 GLU HG3 H 1 2.299 0.003 . 2 . 665 . . 656 GLU HG3 . 18604 1 1163 . 1 1 95 95 GLU C C 13 174.965 0.05 . 1 . 1408 . . 656 GLU C . 18604 1 1164 . 1 1 95 95 GLU CA C 13 54.658 0.069 . 1 . 656 . . 656 GLU CA . 18604 1 1165 . 1 1 95 95 GLU CB C 13 33.028 0.072 . 1 . 657 . . 656 GLU CB . 18604 1 1166 . 1 1 95 95 GLU CG C 13 36.985 0.044 . 1 . 661 . . 656 GLU CG . 18604 1 1167 . 1 1 95 95 GLU N N 15 125.702 0.031 . 1 . 157 . . 656 GLU N . 18604 1 1168 . 1 1 96 96 TYR H H 1 8.769 0.001 . 1 . 130 . . 657 TYR H . 18604 1 1169 . 1 1 96 96 TYR HA H 1 5.169 0.01 . 1 . 669 . . 657 TYR HA . 18604 1 1170 . 1 1 96 96 TYR HB2 H 1 2.281 0.009 . 2 . 671 . . 657 TYR HB2 . 18604 1 1171 . 1 1 96 96 TYR HB3 H 1 2.638 0.008 . 2 . 670 . . 657 TYR HB3 . 18604 1 1172 . 1 1 96 96 TYR HD1 H 1 6.581 0.011 . 3 . 949 . . 657 TYR HD1 . 18604 1 1173 . 1 1 96 96 TYR HD2 H 1 6.581 0.011 . 3 . 950 . . 657 TYR HD2 . 18604 1 1174 . 1 1 96 96 TYR HE1 H 1 6.279 0.009 . 3 . 953 . . 657 TYR HE1 . 18604 1 1175 . 1 1 96 96 TYR HE2 H 1 6.279 0.009 . 3 . 954 . . 657 TYR HE2 . 18604 1 1176 . 1 1 96 96 TYR C C 13 175.346 0.05 . 1 . 1409 . . 657 TYR C . 18604 1 1177 . 1 1 96 96 TYR CA C 13 57.371 0.093 . 1 . 296 . . 657 TYR CA . 18604 1 1178 . 1 1 96 96 TYR CB C 13 43.822 0.057 . 1 . 297 . . 657 TYR CB . 18604 1 1179 . 1 1 96 96 TYR CD1 C 13 132.428 0.039 . 3 . 951 . . 657 TYR CD1 . 18604 1 1180 . 1 1 96 96 TYR CD2 C 13 132.428 0.039 . 3 . 952 . . 657 TYR CD2 . 18604 1 1181 . 1 1 96 96 TYR CE1 C 13 118.279 0.034 . 3 . 955 . . 657 TYR CE1 . 18604 1 1182 . 1 1 96 96 TYR CE2 C 13 118.279 0.034 . 3 . 956 . . 657 TYR CE2 . 18604 1 1183 . 1 1 96 96 TYR N N 15 123.209 0.054 . 1 . 131 . . 657 TYR N . 18604 1 1184 . 1 1 97 97 TYR H H 1 8.765 0.002 . 1 . 41 . . 658 TYR H . 18604 1 1185 . 1 1 97 97 TYR HA H 1 4.818 0.008 . 1 . 674 . . 658 TYR HA . 18604 1 1186 . 1 1 97 97 TYR HB2 H 1 2.897 0.006 . 2 . 676 . . 658 TYR HB2 . 18604 1 1187 . 1 1 97 97 TYR HB3 H 1 3.115 0.008 . 2 . 675 . . 658 TYR HB3 . 18604 1 1188 . 1 1 97 97 TYR HD1 H 1 6.838 0.006 . 3 . 1205 . . 658 TYR HD1 . 18604 1 1189 . 1 1 97 97 TYR HD2 H 1 6.838 0.006 . 3 . 1206 . . 658 TYR HD2 . 18604 1 1190 . 1 1 97 97 TYR HE1 H 1 6.653 0.004 . 3 . 1128 . . 658 TYR HE1 . 18604 1 1191 . 1 1 97 97 TYR HE2 H 1 6.653 0.004 . 3 . 1129 . . 658 TYR HE2 . 18604 1 1192 . 1 1 97 97 TYR C C 13 173.809 0.05 . 1 . 1410 . . 658 TYR C . 18604 1 1193 . 1 1 97 97 TYR CA C 13 56.400 0.096 . 1 . 667 . . 658 TYR CA . 18604 1 1194 . 1 1 97 97 TYR CB C 13 41.110 0.06 . 1 . 668 . . 658 TYR CB . 18604 1 1195 . 1 1 97 97 TYR CD1 C 13 133.787 0.037 . 3 . 1207 . . 658 TYR CD1 . 18604 1 1196 . 1 1 97 97 TYR CD2 C 13 133.787 0.037 . 3 . 1208 . . 658 TYR CD2 . 18604 1 1197 . 1 1 97 97 TYR CE1 C 13 117.675 0.062 . 3 . 1201 . . 658 TYR CE1 . 18604 1 1198 . 1 1 97 97 TYR CE2 C 13 117.675 0.062 . 3 . 1202 . . 658 TYR CE2 . 18604 1 1199 . 1 1 97 97 TYR N N 15 114.941 0.044 . 1 . 42 . . 658 TYR N . 18604 1 1200 . 1 1 98 98 CYS H H 1 8.971 0.001 . 1 . 45 . . 659 CYS H . 18604 1 1201 . 1 1 98 98 CYS HA H 1 5.009 0.004 . 1 . 679 . . 659 CYS HA . 18604 1 1202 . 1 1 98 98 CYS HB2 H 1 2.685 0.004 . 2 . 681 . . 659 CYS HB2 . 18604 1 1203 . 1 1 98 98 CYS HB3 H 1 3.050 0.005 . 2 . 680 . . 659 CYS HB3 . 18604 1 1204 . 1 1 98 98 CYS C C 13 174.469 0.05 . 1 . 1411 . . 659 CYS C . 18604 1 1205 . 1 1 98 98 CYS CA C 13 54.177 0.07 . 1 . 672 . . 659 CYS CA . 18604 1 1206 . 1 1 98 98 CYS CB C 13 40.766 0.066 . 1 . 673 . . 659 CYS CB . 18604 1 1207 . 1 1 98 98 CYS N N 15 116.777 0.04 . 1 . 46 . . 659 CYS N . 18604 1 1208 . 1 1 99 99 ASN H H 1 9.014 0.002 . 1 . 59 . . 660 ASN H . 18604 1 1209 . 1 1 99 99 ASN HA H 1 4.819 0.009 . 1 . 1246 . . 660 ASN HA . 18604 1 1210 . 1 1 99 99 ASN HB2 H 1 2.452 0.008 . 2 . 1248 . . 660 ASN HB2 . 18604 1 1211 . 1 1 99 99 ASN HB3 H 1 2.977 0.011 . 2 . 1247 . . 660 ASN HB3 . 18604 1 1212 . 1 1 99 99 ASN HD21 H 1 6.861 0.002 . 1 . 1278 . . 660 ASN HD21 . 18604 1 1213 . 1 1 99 99 ASN HD22 H 1 7.442 0.002 . 1 . 1277 . . 660 ASN HD22 . 18604 1 1214 . 1 1 99 99 ASN C C 13 171.940 0.05 . 1 . 1412 . . 660 ASN C . 18604 1 1215 . 1 1 99 99 ASN CA C 13 52.234 0.082 . 1 . 677 . . 660 ASN CA . 18604 1 1216 . 1 1 99 99 ASN CB C 13 35.843 0.06 . 1 . 678 . . 660 ASN CB . 18604 1 1217 . 1 1 99 99 ASN CG C 13 175.506 0.011 . 1 . 1445 . . 660 ASN CG . 18604 1 1218 . 1 1 99 99 ASN N N 15 123.197 0.05 . 1 . 60 . . 660 ASN N . 18604 1 1219 . 1 1 99 99 ASN ND2 N 15 109.092 0.044 . 1 . 1276 . . 660 ASN ND2 . 18604 1 1220 . 1 1 100 100 PRO HA H 1 4.460 0.003 . 1 . 622 . . 661 PRO HA . 18604 1 1221 . 1 1 100 100 PRO HB2 H 1 1.843 0.005 . 2 . 624 . . 661 PRO HB2 . 18604 1 1222 . 1 1 100 100 PRO HB3 H 1 2.413 0.003 . 2 . 623 . . 661 PRO HB3 . 18604 1 1223 . 1 1 100 100 PRO HG2 H 1 2.070 0.002 . 2 . 1068 . . 661 PRO HG2 . 18604 1 1224 . 1 1 100 100 PRO HG3 H 1 2.160 0.005 . 2 . 1067 . . 661 PRO HG3 . 18604 1 1225 . 1 1 100 100 PRO HD2 H 1 3.604 0.01 . 2 . 1273 . . 661 PRO HD2 . 18604 1 1226 . 1 1 100 100 PRO HD3 H 1 3.900 0.004 . 2 . 1272 . . 661 PRO HD3 . 18604 1 1227 . 1 1 100 100 PRO C C 13 176.692 0.05 . 1 . 1413 . . 661 PRO C . 18604 1 1228 . 1 1 100 100 PRO CA C 13 64.686 0.042 . 1 . 612 . . 661 PRO CA . 18604 1 1229 . 1 1 100 100 PRO CB C 13 31.730 0.071 . 1 . 613 . . 661 PRO CB . 18604 1 1230 . 1 1 100 100 PRO CG C 13 27.881 0.004 . 1 . 1066 . . 661 PRO CG . 18604 1 1231 . 1 1 100 100 PRO CD C 13 50.318 0.035 . 1 . 1271 . . 661 PRO CD . 18604 1 1232 . 1 1 101 101 ARG H H 1 8.589 0.002 . 1 . 39 . . 662 ARG H . 18604 1 1233 . 1 1 101 101 ARG HA H 1 3.810 0.004 . 1 . 341 . . 662 ARG HA . 18604 1 1234 . 1 1 101 101 ARG HB2 H 1 1.804 0.003 . 2 . 346 . . 662 ARG HB2 . 18604 1 1235 . 1 1 101 101 ARG HB3 H 1 2.190 0.003 . 2 . 345 . . 662 ARG HB3 . 18604 1 1236 . 1 1 101 101 ARG HG2 H 1 1.527 0.006 . 1 . 344 . . 662 ARG HG2 . 18604 1 1237 . 1 1 101 101 ARG HG3 H 1 1.527 0.006 . 1 . 343 . . 662 ARG HG3 . 18604 1 1238 . 1 1 101 101 ARG HD2 H 1 3.149 0.003 . 2 . 342 . . 662 ARG HD2 . 18604 1 1239 . 1 1 101 101 ARG HD3 H 1 3.227 0.005 . 2 . 1307 . . 662 ARG HD3 . 18604 1 1240 . 1 1 101 101 ARG C C 13 174.978 0.05 . 1 . 1414 . . 662 ARG C . 18604 1 1241 . 1 1 101 101 ARG CA C 13 58.877 0.083 . 1 . 265 . . 662 ARG CA . 18604 1 1242 . 1 1 101 101 ARG CB C 13 27.465 0.044 . 1 . 264 . . 662 ARG CB . 18604 1 1243 . 1 1 101 101 ARG CG C 13 27.799 0.084 . 1 . 948 . . 662 ARG CG . 18604 1 1244 . 1 1 101 101 ARG CD C 13 43.127 0.057 . 1 . 947 . . 662 ARG CD . 18604 1 1245 . 1 1 101 101 ARG N N 15 113.720 0.037 . 1 . 40 . . 662 ARG N . 18604 1 1246 . 1 1 102 102 PHE H H 1 8.207 0.002 . 1 . 100 . . 663 PHE H . 18604 1 1247 . 1 1 102 102 PHE HA H 1 4.990 0.01 . 1 . 347 . . 663 PHE HA . 18604 1 1248 . 1 1 102 102 PHE HB2 H 1 2.631 0.013 . 2 . 349 . . 663 PHE HB2 . 18604 1 1249 . 1 1 102 102 PHE HB3 H 1 3.389 0.01 . 2 . 348 . . 663 PHE HB3 . 18604 1 1250 . 1 1 102 102 PHE HD1 H 1 6.898 0.01 . 3 . 961 . . 663 PHE HD1 . 18604 1 1251 . 1 1 102 102 PHE HD2 H 1 6.898 0.01 . 3 . 962 . . 663 PHE HD2 . 18604 1 1252 . 1 1 102 102 PHE HE1 H 1 7.207 0.007 . 3 . 1172 . . 663 PHE HE1 . 18604 1 1253 . 1 1 102 102 PHE HE2 H 1 7.207 0.007 . 3 . 1173 . . 663 PHE HE2 . 18604 1 1254 . 1 1 102 102 PHE C C 13 174.739 0.05 . 1 . 1415 . . 663 PHE C . 18604 1 1255 . 1 1 102 102 PHE CA C 13 56.904 0.11 . 1 . 262 . . 663 PHE CA . 18604 1 1256 . 1 1 102 102 PHE CB C 13 41.791 0.062 . 1 . 263 . . 663 PHE CB . 18604 1 1257 . 1 1 102 102 PHE CD1 C 13 131.718 0.102 . 3 . 963 . . 663 PHE CD1 . 18604 1 1258 . 1 1 102 102 PHE CD2 C 13 131.718 0.102 . 3 . 964 . . 663 PHE CD2 . 18604 1 1259 . 1 1 102 102 PHE CE1 C 13 131.368 0.065 . 3 . 1174 . . 663 PHE CE1 . 18604 1 1260 . 1 1 102 102 PHE CE2 C 13 131.368 0.065 . 3 . 1175 . . 663 PHE CE2 . 18604 1 1261 . 1 1 102 102 PHE N N 15 117.098 0.05 . 1 . 101 . . 663 PHE N . 18604 1 1262 . 1 1 103 103 LEU H H 1 9.750 0.002 . 1 . 1 . . 664 LEU H . 18604 1 1263 . 1 1 103 103 LEU HA H 1 4.675 0.003 . 1 . 614 . . 664 LEU HA . 18604 1 1264 . 1 1 103 103 LEU HB2 H 1 1.543 0.004 . 1 . 1004 . . 664 LEU HB2 . 18604 1 1265 . 1 1 103 103 LEU HB3 H 1 1.543 0.004 . 1 . 1003 . . 664 LEU HB3 . 18604 1 1266 . 1 1 103 103 LEU HG H 1 1.497 0.004 . 1 . 1127 . . 664 LEU HG . 18604 1 1267 . 1 1 103 103 LEU HD11 H 1 0.877 0.003 . 2 . 862 . . 664 LEU HD11 . 18604 1 1268 . 1 1 103 103 LEU HD12 H 1 0.877 0.003 . 2 . 862 . . 664 LEU HD12 . 18604 1 1269 . 1 1 103 103 LEU HD13 H 1 0.877 0.003 . 2 . 862 . . 664 LEU HD13 . 18604 1 1270 . 1 1 103 103 LEU HD21 H 1 0.922 0.002 . 2 . 970 . . 664 LEU HD21 . 18604 1 1271 . 1 1 103 103 LEU HD22 H 1 0.922 0.002 . 2 . 970 . . 664 LEU HD22 . 18604 1 1272 . 1 1 103 103 LEU HD23 H 1 0.922 0.002 . 2 . 970 . . 664 LEU HD23 . 18604 1 1273 . 1 1 103 103 LEU C C 13 175.375 0.05 . 1 . 1416 . . 664 LEU C . 18604 1 1274 . 1 1 103 103 LEU CA C 13 53.335 0.093 . 1 . 266 . . 664 LEU CA . 18604 1 1275 . 1 1 103 103 LEU CB C 13 44.965 0.047 . 1 . 267 . . 664 LEU CB . 18604 1 1276 . 1 1 103 103 LEU CG C 13 26.798 0.056 . 1 . 1126 . . 664 LEU CG . 18604 1 1277 . 1 1 103 103 LEU CD1 C 13 23.422 0.007 . 2 . 1002 . . 664 LEU CD1 . 18604 1 1278 . 1 1 103 103 LEU CD2 C 13 24.921 0.055 . 2 . 969 . . 664 LEU CD2 . 18604 1 1279 . 1 1 103 103 LEU N N 15 123.154 0.04 . 1 . 2 . . 664 LEU N . 18604 1 1280 . 1 1 104 104 MET H H 1 8.591 0.001 . 1 . 148 . . 665 MET H . 18604 1 1281 . 1 1 104 104 MET HA H 1 4.855 0.004 . 1 . 321 . . 665 MET HA . 18604 1 1282 . 1 1 104 104 MET HB2 H 1 2.015 0.007 . 1 . 352 . . 665 MET HB2 . 18604 1 1283 . 1 1 104 104 MET HB3 H 1 2.015 0.007 . 1 . 351 . . 665 MET HB3 . 18604 1 1284 . 1 1 104 104 MET HG2 H 1 2.338 0.007 . 1 . 354 . . 665 MET HG2 . 18604 1 1285 . 1 1 104 104 MET HG3 H 1 2.338 0.007 . 1 . 353 . . 665 MET HG3 . 18604 1 1286 . 1 1 104 104 MET HE1 H 1 1.879 0.001 . 1 . 1131 . . 665 MET HE1 . 18604 1 1287 . 1 1 104 104 MET HE2 H 1 1.879 0.001 . 1 . 1131 . . 665 MET HE2 . 18604 1 1288 . 1 1 104 104 MET HE3 H 1 1.879 0.001 . 1 . 1131 . . 665 MET HE3 . 18604 1 1289 . 1 1 104 104 MET C C 13 176.010 0.05 . 1 . 1417 . . 665 MET C . 18604 1 1290 . 1 1 104 104 MET CA C 13 56.276 0.086 . 1 . 251 . . 665 MET CA . 18604 1 1291 . 1 1 104 104 MET CB C 13 34.601 0.054 . 1 . 252 . . 665 MET CB . 18604 1 1292 . 1 1 104 104 MET CG C 13 32.497 0.038 . 1 . 615 . . 665 MET CG . 18604 1 1293 . 1 1 104 104 MET CE C 13 16.984 0.035 . 1 . 1130 . . 665 MET CE . 18604 1 1294 . 1 1 104 104 MET N N 15 123.790 0.034 . 1 . 149 . . 665 MET N . 18604 1 1295 . 1 1 105 105 LYS H H 1 9.263 0.002 . 1 . 24 . . 666 LYS H . 18604 1 1296 . 1 1 105 105 LYS HA H 1 4.633 0.003 . 1 . 355 . . 666 LYS HA . 18604 1 1297 . 1 1 105 105 LYS HB2 H 1 1.622 0.005 . 2 . 357 . . 666 LYS HB2 . 18604 1 1298 . 1 1 105 105 LYS HB3 H 1 1.792 0.006 . 2 . 356 . . 666 LYS HB3 . 18604 1 1299 . 1 1 105 105 LYS HG2 H 1 1.260 0.003 . 2 . 971 . . 666 LYS HG2 . 18604 1 1300 . 1 1 105 105 LYS HG3 H 1 1.416 0.002 . 2 . 1084 . . 666 LYS HG3 . 18604 1 1301 . 1 1 105 105 LYS HE2 H 1 2.869 0.003 . 2 . 1022 . . 666 LYS HE2 . 18604 1 1302 . 1 1 105 105 LYS HE3 H 1 2.926 0.001 . 2 . 973 . . 666 LYS HE3 . 18604 1 1303 . 1 1 105 105 LYS C C 13 175.619 0.05 . 1 . 1418 . . 666 LYS C . 18604 1 1304 . 1 1 105 105 LYS CA C 13 55.182 0.065 . 1 . 245 . . 666 LYS CA . 18604 1 1305 . 1 1 105 105 LYS CB C 13 33.607 0.047 . 1 . 295 . . 666 LYS CB . 18604 1 1306 . 1 1 105 105 LYS CG C 13 24.251 0.069 . 1 . 1085 . . 666 LYS CG . 18604 1 1307 . 1 1 105 105 LYS CE C 13 42.016 0.024 . 1 . 972 . . 666 LYS CE . 18604 1 1308 . 1 1 105 105 LYS N N 15 129.719 0.029 . 1 . 25 . . 666 LYS N . 18604 1 1309 . 1 1 106 106 GLY H H 1 8.524 0.002 . 1 . 79 . . 667 GLY H . 18604 1 1310 . 1 1 106 106 GLY HA2 H 1 3.733 0.006 . 2 . 1269 . . 667 GLY HA2 . 18604 1 1311 . 1 1 106 106 GLY HA3 H 1 4.563 0.002 . 2 . 1268 . . 667 GLY HA3 . 18604 1 1312 . 1 1 106 106 GLY C C 13 170.224 0.05 . 1 . 1419 . . 667 GLY C . 18604 1 1313 . 1 1 106 106 GLY CA C 13 43.149 0.073 . 1 . 340 . . 667 GLY CA . 18604 1 1314 . 1 1 106 106 GLY N N 15 115.560 0.06 . 1 . 80 . . 667 GLY N . 18604 1 1315 . 1 1 107 107 PRO HA H 1 4.405 0.002 . 1 . 746 . . 668 PRO HA . 18604 1 1316 . 1 1 107 107 PRO HB2 H 1 2.112 0.005 . 2 . 748 . . 668 PRO HB2 . 18604 1 1317 . 1 1 107 107 PRO HB3 H 1 2.291 0.002 . 2 . 747 . . 668 PRO HB3 . 18604 1 1318 . 1 1 107 107 PRO HG2 H 1 2.166 0.002 . 2 . 1283 . . 668 PRO HG2 . 18604 1 1319 . 1 1 107 107 PRO HG3 H 1 1.989 0.012 . 2 . 1245 . . 668 PRO HG3 . 18604 1 1320 . 1 1 107 107 PRO HD2 H 1 3.531 0.005 . 2 . 975 . . 668 PRO HD2 . 18604 1 1321 . 1 1 107 107 PRO HD3 H 1 3.436 0.002 . 2 . 1065 . . 668 PRO HD3 . 18604 1 1322 . 1 1 107 107 PRO C C 13 175.249 0.05 . 1 . 1420 . . 668 PRO C . 18604 1 1323 . 1 1 107 107 PRO CA C 13 62.773 0.049 . 1 . 744 . . 668 PRO CA . 18604 1 1324 . 1 1 107 107 PRO CB C 13 32.382 0.103 . 1 . 745 . . 668 PRO CB . 18604 1 1325 . 1 1 107 107 PRO CG C 13 27.485 0.117 . 1 . 749 . . 668 PRO CG . 18604 1 1326 . 1 1 107 107 PRO CD C 13 49.621 0.039 . 1 . 974 . . 668 PRO CD . 18604 1 1327 . 1 1 108 108 ASN H H 1 8.054 0.002 . 1 . 91 . . 669 ASN H . 18604 1 1328 . 1 1 108 108 ASN HA H 1 4.539 0.003 . 1 . 751 . . 669 ASN HA . 18604 1 1329 . 1 1 108 108 ASN HB2 H 1 2.869 0.003 . 2 . 753 . . 669 ASN HB2 . 18604 1 1330 . 1 1 108 108 ASN HB3 H 1 3.423 0.002 . 2 . 752 . . 669 ASN HB3 . 18604 1 1331 . 1 1 108 108 ASN HD21 H 1 6.953 0.001 . 1 . 1137 . . 669 ASN HD21 . 18604 1 1332 . 1 1 108 108 ASN HD22 H 1 7.570 0.002 . 1 . 1136 . . 669 ASN HD22 . 18604 1 1333 . 1 1 108 108 ASN C C 13 173.738 0.05 . 1 . 1421 . . 669 ASN C . 18604 1 1334 . 1 1 108 108 ASN CA C 13 53.784 0.094 . 1 . 316 . . 669 ASN CA . 18604 1 1335 . 1 1 108 108 ASN CB C 13 38.051 0.067 . 1 . 317 . . 669 ASN CB . 18604 1 1336 . 1 1 108 108 ASN CG C 13 177.862 0.012 . 1 . 1446 . . 669 ASN CG . 18604 1 1337 . 1 1 108 108 ASN N N 15 114.826 0.042 . 1 . 92 . . 669 ASN N . 18604 1 1338 . 1 1 108 108 ASN ND2 N 15 112.189 0.03 . 1 . 1135 . . 669 ASN ND2 . 18604 1 1339 . 1 1 109 109 LYS H H 1 7.104 0.002 . 1 . 177 . . 670 LYS H . 18604 1 1340 . 1 1 109 109 LYS HA H 1 5.488 0.002 . 1 . 755 . . 670 LYS HA . 18604 1 1341 . 1 1 109 109 LYS HB2 H 1 1.567 0.01 . 2 . 999 . . 670 LYS HB2 . 18604 1 1342 . 1 1 109 109 LYS HB3 H 1 1.625 0.009 . 2 . 756 . . 670 LYS HB3 . 18604 1 1343 . 1 1 109 109 LYS HG2 H 1 1.155 0.002 . 2 . 759 . . 670 LYS HG2 . 18604 1 1344 . 1 1 109 109 LYS HG3 H 1 1.410 0.004 . 2 . 1064 . . 670 LYS HG3 . 18604 1 1345 . 1 1 109 109 LYS HD2 H 1 1.574 0.008 . 1 . 1197 . . 670 LYS HD2 . 18604 1 1346 . 1 1 109 109 LYS HD3 H 1 1.574 0.008 . 1 . 1196 . . 670 LYS HD3 . 18604 1 1347 . 1 1 109 109 LYS HE2 H 1 2.894 0.006 . 1 . 758 . . 670 LYS HE2 . 18604 1 1348 . 1 1 109 109 LYS HE3 H 1 2.894 0.006 . 1 . 757 . . 670 LYS HE3 . 18604 1 1349 . 1 1 109 109 LYS C C 13 176.346 0.05 . 1 . 1422 . . 670 LYS C . 18604 1 1350 . 1 1 109 109 LYS CA C 13 54.087 0.066 . 1 . 750 . . 670 LYS CA . 18604 1 1351 . 1 1 109 109 LYS CB C 13 35.831 0.063 . 1 . 229 . . 670 LYS CB . 18604 1 1352 . 1 1 109 109 LYS CG C 13 24.982 0.072 . 1 . 1001 . . 670 LYS CG . 18604 1 1353 . 1 1 109 109 LYS CD C 13 29.559 0.097 . 1 . 1198 . . 670 LYS CD . 18604 1 1354 . 1 1 109 109 LYS CE C 13 41.674 0.008 . 1 . 1000 . . 670 LYS CE . 18604 1 1355 . 1 1 109 109 LYS N N 15 115.642 0.048 . 1 . 178 . . 670 LYS N . 18604 1 1356 . 1 1 110 110 ILE H H 1 8.818 0.002 . 1 . 51 . . 671 ILE H . 18604 1 1357 . 1 1 110 110 ILE HA H 1 4.512 0.007 . 1 . 760 . . 671 ILE HA . 18604 1 1358 . 1 1 110 110 ILE HB H 1 1.989 0.005 . 1 . 761 . . 671 ILE HB . 18604 1 1359 . 1 1 110 110 ILE HG12 H 1 0.987 0.007 . 2 . 1062 . . 671 ILE HG12 . 18604 1 1360 . 1 1 110 110 ILE HG13 H 1 1.397 0.008 . 2 . 1061 . . 671 ILE HG13 . 18604 1 1361 . 1 1 110 110 ILE HG21 H 1 0.709 0.008 . 1 . 762 . . 671 ILE HG21 . 18604 1 1362 . 1 1 110 110 ILE HG22 H 1 0.709 0.008 . 1 . 762 . . 671 ILE HG22 . 18604 1 1363 . 1 1 110 110 ILE HG23 H 1 0.709 0.008 . 1 . 762 . . 671 ILE HG23 . 18604 1 1364 . 1 1 110 110 ILE HD11 H 1 0.295 0.006 . 1 . 764 . . 671 ILE HD11 . 18604 1 1365 . 1 1 110 110 ILE HD12 H 1 0.295 0.006 . 1 . 764 . . 671 ILE HD12 . 18604 1 1366 . 1 1 110 110 ILE HD13 H 1 0.295 0.006 . 1 . 764 . . 671 ILE HD13 . 18604 1 1367 . 1 1 110 110 ILE C C 13 173.313 0.05 . 1 . 1423 . . 671 ILE C . 18604 1 1368 . 1 1 110 110 ILE CA C 13 59.376 0.049 . 1 . 754 . . 671 ILE CA . 18604 1 1369 . 1 1 110 110 ILE CB C 13 40.568 0.084 . 1 . 277 . . 671 ILE CB . 18604 1 1370 . 1 1 110 110 ILE CG1 C 13 25.708 0.011 . 1 . 1063 . . 671 ILE CG1 . 18604 1 1371 . 1 1 110 110 ILE CG2 C 13 17.763 0.022 . 1 . 763 . . 671 ILE CG2 . 18604 1 1372 . 1 1 110 110 ILE CD1 C 13 14.595 0.023 . 1 . 875 . . 671 ILE CD1 . 18604 1 1373 . 1 1 110 110 ILE N N 15 116.211 0.075 . 1 . 52 . . 671 ILE N . 18604 1 1374 . 1 1 111 111 GLN H H 1 8.842 0.002 . 1 . 57 . . 672 GLN H . 18604 1 1375 . 1 1 111 111 GLN HA H 1 5.540 0.005 . 1 . 768 . . 672 GLN HA . 18604 1 1376 . 1 1 111 111 GLN HB2 H 1 1.714 0.007 . 2 . 770 . . 672 GLN HB2 . 18604 1 1377 . 1 1 111 111 GLN HB3 H 1 1.922 0.003 . 2 . 769 . . 672 GLN HB3 . 18604 1 1378 . 1 1 111 111 GLN HG2 H 1 2.012 0.007 . 1 . 772 . . 672 GLN HG2 . 18604 1 1379 . 1 1 111 111 GLN HG3 H 1 2.012 0.007 . 1 . 771 . . 672 GLN HG3 . 18604 1 1380 . 1 1 111 111 GLN HE21 H 1 6.789 0.002 . 1 . 1316 . . 672 GLN HE21 . 18604 1 1381 . 1 1 111 111 GLN HE22 H 1 7.338 0.002 . 1 . 1315 . . 672 GLN HE22 . 18604 1 1382 . 1 1 111 111 GLN C C 13 174.247 0.05 . 1 . 1424 . . 672 GLN C . 18604 1 1383 . 1 1 111 111 GLN CA C 13 53.467 0.048 . 1 . 279 . . 672 GLN CA . 18604 1 1384 . 1 1 111 111 GLN CB C 13 33.261 0.053 . 1 . 278 . . 672 GLN CB . 18604 1 1385 . 1 1 111 111 GLN CG C 13 33.754 0.115 . 1 . 767 . . 672 GLN CG . 18604 1 1386 . 1 1 111 111 GLN CD C 13 179.744 0.014 . 1 . 1452 . . 672 GLN CD . 18604 1 1387 . 1 1 111 111 GLN N N 15 120.715 0.034 . 1 . 58 . . 672 GLN N . 18604 1 1388 . 1 1 111 111 GLN NE2 N 15 111.240 0.03 . 1 . 1314 . . 672 GLN NE2 . 18604 1 1389 . 1 1 112 112 CYS H H 1 8.454 0.003 . 1 . 206 . . 673 CYS H . 18604 1 1390 . 1 1 112 112 CYS HA H 1 3.815 0.007 . 1 . 775 . . 673 CYS HA . 18604 1 1391 . 1 1 112 112 CYS HB2 H 1 1.254 0.009 . 2 . 998 . . 673 CYS HB2 . 18604 1 1392 . 1 1 112 112 CYS HB3 H 1 2.607 0.003 . 2 . 776 . . 673 CYS HB3 . 18604 1 1393 . 1 1 112 112 CYS C C 13 173.906 0.05 . 1 . 1425 . . 673 CYS C . 18604 1 1394 . 1 1 112 112 CYS CA C 13 54.491 0.049 . 1 . 765 . . 673 CYS CA . 18604 1 1395 . 1 1 112 112 CYS CB C 13 38.494 0.045 . 1 . 766 . . 673 CYS CB . 18604 1 1396 . 1 1 112 112 CYS N N 15 125.490 0.032 . 1 . 207 . . 673 CYS N . 18604 1 1397 . 1 1 113 113 VAL H H 1 8.959 0.01 . 1 . 30 . . 674 VAL H . 18604 1 1398 . 1 1 113 113 VAL HA H 1 4.350 0.006 . 1 . 976 . . 674 VAL HA . 18604 1 1399 . 1 1 113 113 VAL HB H 1 2.067 0.005 . 1 . 977 . . 674 VAL HB . 18604 1 1400 . 1 1 113 113 VAL HG11 H 1 0.895 0.005 . 2 . 978 . . 674 VAL HG11 . 18604 1 1401 . 1 1 113 113 VAL HG12 H 1 0.895 0.005 . 2 . 978 . . 674 VAL HG12 . 18604 1 1402 . 1 1 113 113 VAL HG13 H 1 0.895 0.005 . 2 . 978 . . 674 VAL HG13 . 18604 1 1403 . 1 1 113 113 VAL HG21 H 1 0.713 0.008 . 2 . 979 . . 674 VAL HG21 . 18604 1 1404 . 1 1 113 113 VAL HG22 H 1 0.713 0.008 . 2 . 979 . . 674 VAL HG22 . 18604 1 1405 . 1 1 113 113 VAL HG23 H 1 0.713 0.008 . 2 . 979 . . 674 VAL HG23 . 18604 1 1406 . 1 1 113 113 VAL C C 13 175.784 0.05 . 1 . 1426 . . 674 VAL C . 18604 1 1407 . 1 1 113 113 VAL CA C 13 61.073 0.105 . 1 . 773 . . 674 VAL CA . 18604 1 1408 . 1 1 113 113 VAL CB C 13 32.477 0.076 . 1 . 774 . . 674 VAL CB . 18604 1 1409 . 1 1 113 113 VAL CG1 C 13 21.492 0.035 . 2 . 981 . . 674 VAL CG1 . 18604 1 1410 . 1 1 113 113 VAL CG2 C 13 20.370 0.043 . 2 . 980 . . 674 VAL CG2 . 18604 1 1411 . 1 1 113 113 VAL N N 15 133.265 0.082 . 1 . 31 . . 674 VAL N . 18604 1 1412 . 1 1 114 114 ASP HA H 1 4.397 0.009 . 1 . 811 . . 675 ASP HA . 18604 1 1413 . 1 1 114 114 ASP HB2 H 1 2.159 0.009 . 2 . 813 . . 675 ASP HB2 . 18604 1 1414 . 1 1 114 114 ASP HB3 H 1 2.939 0.007 . 2 . 812 . . 675 ASP HB3 . 18604 1 1415 . 1 1 114 114 ASP C C 13 176.008 0.05 . 1 . 1427 . . 675 ASP C . 18604 1 1416 . 1 1 114 114 ASP CA C 13 54.680 0.115 . 1 . 809 . . 675 ASP CA . 18604 1 1417 . 1 1 114 114 ASP CB C 13 40.652 0.071 . 1 . 810 . . 675 ASP CB . 18604 1 1418 . 1 1 115 115 GLY H H 1 6.593 0.003 . 1 . 164 . . 676 GLY H . 18604 1 1419 . 1 1 115 115 GLY HA2 H 1 3.428 0.008 . 2 . 332 . . 676 GLY HA2 . 18604 1 1420 . 1 1 115 115 GLY HA3 H 1 3.965 0.007 . 2 . 331 . . 676 GLY HA3 . 18604 1 1421 . 1 1 115 115 GLY C C 13 173.835 0.05 . 1 . 1428 . . 676 GLY C . 18604 1 1422 . 1 1 115 115 GLY CA C 13 45.706 0.116 . 1 . 805 . . 676 GLY CA . 18604 1 1423 . 1 1 115 115 GLY N N 15 101.841 0.065 . 1 . 165 . . 676 GLY N . 18604 1 1424 . 1 1 116 116 GLU H H 1 7.650 0.002 . 1 . 144 . . 677 GLU H . 18604 1 1425 . 1 1 116 116 GLU HA H 1 4.610 0.003 . 1 . 325 . . 677 GLU HA . 18604 1 1426 . 1 1 116 116 GLU HB2 H 1 1.783 0.004 . 2 . 327 . . 677 GLU HB2 . 18604 1 1427 . 1 1 116 116 GLU HB3 H 1 1.981 0.005 . 2 . 326 . . 677 GLU HB3 . 18604 1 1428 . 1 1 116 116 GLU HG2 H 1 2.261 0.005 . 2 . 329 . . 677 GLU HG2 . 18604 1 1429 . 1 1 116 116 GLU HG3 H 1 2.172 0.003 . 2 . 328 . . 677 GLU HG3 . 18604 1 1430 . 1 1 116 116 GLU C C 13 175.185 0.05 . 1 . 1429 . . 677 GLU C . 18604 1 1431 . 1 1 116 116 GLU CA C 13 53.939 0.076 . 1 . 224 . . 677 GLU CA . 18604 1 1432 . 1 1 116 116 GLU CB C 13 33.213 0.071 . 1 . 225 . . 677 GLU CB . 18604 1 1433 . 1 1 116 116 GLU CG C 13 35.892 0.051 . 1 . 330 . . 677 GLU CG . 18604 1 1434 . 1 1 116 116 GLU N N 15 121.272 0.046 . 1 . 145 . . 677 GLU N . 18604 1 1435 . 1 1 117 117 TRP H H 1 8.568 0.003 . 1 . 67 . . 678 TRP H . 18604 1 1436 . 1 1 117 117 TRP HA H 1 5.206 0.008 . 1 . 322 . . 678 TRP HA . 18604 1 1437 . 1 1 117 117 TRP HB2 H 1 3.351 0.012 . 2 . 324 . . 678 TRP HB2 . 18604 1 1438 . 1 1 117 117 TRP HB3 H 1 2.973 0.006 . 2 . 323 . . 678 TRP HB3 . 18604 1 1439 . 1 1 117 117 TRP HD1 H 1 7.183 0.01 . 1 . 916 . . 678 TRP HD1 . 18604 1 1440 . 1 1 117 117 TRP HE1 H 1 9.163 0.009 . 1 . 1147 . . 678 TRP HE1 . 18604 1 1441 . 1 1 117 117 TRP HE3 H 1 7.059 0.006 . 1 . 1223 . . 678 TRP HE3 . 18604 1 1442 . 1 1 117 117 TRP HZ2 H 1 7.020 0.002 . 1 . 1217 . . 678 TRP HZ2 . 18604 1 1443 . 1 1 117 117 TRP HZ3 H 1 6.689 0.01 . 1 . 1219 . . 678 TRP HZ3 . 18604 1 1444 . 1 1 117 117 TRP HH2 H 1 6.070 0.011 . 1 . 1221 . . 678 TRP HH2 . 18604 1 1445 . 1 1 117 117 TRP C C 13 178.660 0.05 . 1 . 1430 . . 678 TRP C . 18604 1 1446 . 1 1 117 117 TRP CA C 13 56.779 0.057 . 1 . 222 . . 678 TRP CA . 18604 1 1447 . 1 1 117 117 TRP CB C 13 31.092 0.056 . 1 . 223 . . 678 TRP CB . 18604 1 1448 . 1 1 117 117 TRP CD1 C 13 125.856 0.076 . 1 . 1043 . . 678 TRP CD1 . 18604 1 1449 . 1 1 117 117 TRP CE3 C 13 120.697 0.054 . 1 . 1222 . . 678 TRP CE3 . 18604 1 1450 . 1 1 117 117 TRP CZ2 C 13 113.830 0.034 . 1 . 1216 . . 678 TRP CZ2 . 18604 1 1451 . 1 1 117 117 TRP CZ3 C 13 121.910 0.025 . 1 . 1218 . . 678 TRP CZ3 . 18604 1 1452 . 1 1 117 117 TRP CH2 C 13 123.521 0.066 . 1 . 1220 . . 678 TRP CH2 . 18604 1 1453 . 1 1 117 117 TRP N N 15 126.188 0.092 . 1 . 68 . . 678 TRP N . 18604 1 1454 . 1 1 117 117 TRP NE1 N 15 128.148 0.027 . 1 . 23 . . 678 TRP NE1 . 18604 1 1455 . 1 1 118 118 THR H H 1 8.413 0.004 . 1 . 37 . . 679 THR H . 18604 1 1456 . 1 1 118 118 THR HA H 1 4.429 0.006 . 1 . 1281 . . 679 THR HA . 18604 1 1457 . 1 1 118 118 THR HB H 1 4.829 0.003 . 1 . 1282 . . 679 THR HB . 18604 1 1458 . 1 1 118 118 THR HG21 H 1 1.548 0.006 . 1 . 997 . . 679 THR HG21 . 18604 1 1459 . 1 1 118 118 THR HG22 H 1 1.548 0.006 . 1 . 997 . . 679 THR HG22 . 18604 1 1460 . 1 1 118 118 THR HG23 H 1 1.548 0.006 . 1 . 997 . . 679 THR HG23 . 18604 1 1461 . 1 1 118 118 THR C C 13 172.949 0.05 . 1 . 1431 . . 679 THR C . 18604 1 1462 . 1 1 118 118 THR CA C 13 62.619 0.078 . 1 . 221 . . 679 THR CA . 18604 1 1463 . 1 1 118 118 THR CB C 13 70.153 0.063 . 1 . 220 . . 679 THR CB . 18604 1 1464 . 1 1 118 118 THR CG2 C 13 22.410 0.044 . 1 . 996 . . 679 THR CG2 . 18604 1 1465 . 1 1 118 118 THR N N 15 112.428 0.037 . 1 . 38 . . 679 THR N . 18604 1 1466 . 1 1 119 119 THR H H 1 7.485 0.003 . 1 . 166 . . 680 THR H . 18604 1 1467 . 1 1 119 119 THR HA H 1 3.852 0.02 . 1 . 807 . . 680 THR HA . 18604 1 1468 . 1 1 119 119 THR HB H 1 3.885 0.004 . 1 . 808 . . 680 THR HB . 18604 1 1469 . 1 1 119 119 THR HG21 H 1 1.295 0.005 . 1 . 982 . . 680 THR HG21 . 18604 1 1470 . 1 1 119 119 THR HG22 H 1 1.295 0.005 . 1 . 982 . . 680 THR HG22 . 18604 1 1471 . 1 1 119 119 THR HG23 H 1 1.295 0.005 . 1 . 982 . . 680 THR HG23 . 18604 1 1472 . 1 1 119 119 THR C C 13 173.832 0.05 . 1 . 1432 . . 680 THR C . 18604 1 1473 . 1 1 119 119 THR CA C 13 64.229 0.11 . 1 . 219 . . 680 THR CA . 18604 1 1474 . 1 1 119 119 THR CB C 13 70.149 0.089 . 1 . 806 . . 680 THR CB . 18604 1 1475 . 1 1 119 119 THR CG2 C 13 21.664 0.043 . 1 . 983 . . 680 THR CG2 . 18604 1 1476 . 1 1 119 119 THR N N 15 110.779 0.055 . 1 . 167 . . 680 THR N . 18604 1 1477 . 1 1 120 120 LEU H H 1 8.107 0.002 . 1 . 122 . . 681 LEU H . 18604 1 1478 . 1 1 120 120 LEU HA H 1 4.027 0.003 . 1 . 984 . . 681 LEU HA . 18604 1 1479 . 1 1 120 120 LEU HB2 H 1 1.568 0.009 . 2 . 985 . . 681 LEU HB2 . 18604 1 1480 . 1 1 120 120 LEU HB3 H 1 1.422 0.003 . 2 . 986 . . 681 LEU HB3 . 18604 1 1481 . 1 1 120 120 LEU HG H 1 1.493 0.002 . 1 . 995 . . 681 LEU HG . 18604 1 1482 . 1 1 120 120 LEU HD11 H 1 0.389 0.002 . 2 . 988 . . 681 LEU HD11 . 18604 1 1483 . 1 1 120 120 LEU HD12 H 1 0.389 0.002 . 2 . 988 . . 681 LEU HD12 . 18604 1 1484 . 1 1 120 120 LEU HD13 H 1 0.389 0.002 . 2 . 988 . . 681 LEU HD13 . 18604 1 1485 . 1 1 120 120 LEU HD21 H 1 0.647 0.005 . 2 . 987 . . 681 LEU HD21 . 18604 1 1486 . 1 1 120 120 LEU HD22 H 1 0.647 0.005 . 2 . 987 . . 681 LEU HD22 . 18604 1 1487 . 1 1 120 120 LEU HD23 H 1 0.647 0.005 . 2 . 987 . . 681 LEU HD23 . 18604 1 1488 . 1 1 120 120 LEU C C 13 176.098 0.05 . 1 . 1433 . . 681 LEU C . 18604 1 1489 . 1 1 120 120 LEU CA C 13 54.170 0.065 . 1 . 218 . . 681 LEU CA . 18604 1 1490 . 1 1 120 120 LEU CB C 13 42.953 0.071 . 1 . 217 . . 681 LEU CB . 18604 1 1491 . 1 1 120 120 LEU CG C 13 28.082 0.075 . 1 . 991 . . 681 LEU CG . 18604 1 1492 . 1 1 120 120 LEU CD1 C 13 24.881 0.062 . 2 . 990 . . 681 LEU CD1 . 18604 1 1493 . 1 1 120 120 LEU CD2 C 13 25.314 0.036 . 2 . 989 . . 681 LEU CD2 . 18604 1 1494 . 1 1 120 120 LEU N N 15 127.749 0.027 . 1 . 123 . . 681 LEU N . 18604 1 1495 . 1 1 121 121 PRO HA H 1 4.644 0.002 . 1 . 638 . . 682 PRO HA . 18604 1 1496 . 1 1 121 121 PRO HB2 H 1 1.518 0.004 . 2 . 640 . . 682 PRO HB2 . 18604 1 1497 . 1 1 121 121 PRO HB3 H 1 2.129 0.006 . 2 . 639 . . 682 PRO HB3 . 18604 1 1498 . 1 1 121 121 PRO HG2 H 1 1.177 0.002 . 2 . 1157 . . 682 PRO HG2 . 18604 1 1499 . 1 1 121 121 PRO HG3 H 1 1.835 0.002 . 2 . 1156 . . 682 PRO HG3 . 18604 1 1500 . 1 1 121 121 PRO HD2 H 1 2.891 0.002 . 2 . 1228 . . 682 PRO HD2 . 18604 1 1501 . 1 1 121 121 PRO HD3 H 1 3.403 0.008 . 2 . 1227 . . 682 PRO HD3 . 18604 1 1502 . 1 1 121 121 PRO C C 13 173.009 0.05 . 1 . 1434 . . 682 PRO C . 18604 1 1503 . 1 1 121 121 PRO CA C 13 62.220 0.052 . 1 . 636 . . 682 PRO CA . 18604 1 1504 . 1 1 121 121 PRO CB C 13 33.118 0.076 . 1 . 637 . . 682 PRO CB . 18604 1 1505 . 1 1 121 121 PRO CG C 13 26.307 0.093 . 1 . 641 . . 682 PRO CG . 18604 1 1506 . 1 1 121 121 PRO CD C 13 48.724 0.047 . 1 . 1226 . . 682 PRO CD . 18604 1 1507 . 1 1 122 122 VAL H H 1 7.992 0.001 . 1 . 75 . . 683 VAL H . 18604 1 1508 . 1 1 122 122 VAL HA H 1 4.259 0.001 . 1 . 546 . . 683 VAL HA . 18604 1 1509 . 1 1 122 122 VAL HB H 1 1.849 0.002 . 1 . 777 . . 683 VAL HB . 18604 1 1510 . 1 1 122 122 VAL HG11 H 1 0.804 0.003 . 2 . 1125 . . 683 VAL HG11 . 18604 1 1511 . 1 1 122 122 VAL HG12 H 1 0.804 0.003 . 2 . 1125 . . 683 VAL HG12 . 18604 1 1512 . 1 1 122 122 VAL HG13 H 1 0.804 0.003 . 2 . 1125 . . 683 VAL HG13 . 18604 1 1513 . 1 1 122 122 VAL HG21 H 1 0.868 0.013 . 2 . 547 . . 683 VAL HG21 . 18604 1 1514 . 1 1 122 122 VAL HG22 H 1 0.868 0.013 . 2 . 547 . . 683 VAL HG22 . 18604 1 1515 . 1 1 122 122 VAL HG23 H 1 0.868 0.013 . 2 . 547 . . 683 VAL HG23 . 18604 1 1516 . 1 1 122 122 VAL C C 13 174.466 0.05 . 1 . 1435 . . 683 VAL C . 18604 1 1517 . 1 1 122 122 VAL CA C 13 60.360 0.053 . 1 . 298 . . 683 VAL CA . 18604 1 1518 . 1 1 122 122 VAL CB C 13 35.479 0.108 . 1 . 299 . . 683 VAL CB . 18604 1 1519 . 1 1 122 122 VAL N N 15 111.112 0.039 . 1 . 76 . . 683 VAL N . 18604 1 1520 . 1 1 123 123 CYS H H 1 8.688 0.003 . 1 . 190 . . 684 CYS H . 18604 1 1521 . 1 1 123 123 CYS HA H 1 5.428 0.004 . 1 . 550 . . 684 CYS HA . 18604 1 1522 . 1 1 123 123 CYS HB2 H 1 2.618 0.01 . 2 . 1309 . . 684 CYS HB2 . 18604 1 1523 . 1 1 123 123 CYS HB3 H 1 2.679 0.004 . 2 . 1308 . . 684 CYS HB3 . 18604 1 1524 . 1 1 123 123 CYS C C 13 174.630 0.05 . 1 . 1436 . . 684 CYS C . 18604 1 1525 . 1 1 123 123 CYS CA C 13 53.504 0.077 . 1 . 548 . . 684 CYS CA . 18604 1 1526 . 1 1 123 123 CYS CB C 13 40.481 0.032 . 1 . 549 . . 684 CYS CB . 18604 1 1527 . 1 1 123 123 CYS N N 15 122.920 0.047 . 1 . 191 . . 684 CYS N . 18604 1 1528 . 1 1 124 124 ILE H H 1 9.488 0.003 . 1 . 3 . . 685 ILE H . 18604 1 1529 . 1 1 124 124 ILE HA H 1 4.827 0.005 . 1 . 551 . . 685 ILE HA . 18604 1 1530 . 1 1 124 124 ILE HB H 1 1.976 0.004 . 1 . 778 . . 685 ILE HB . 18604 1 1531 . 1 1 124 124 ILE HG12 H 1 1.173 0.005 . 2 . 780 . . 685 ILE HG12 . 18604 1 1532 . 1 1 124 124 ILE HG13 H 1 1.432 0.005 . 2 . 779 . . 685 ILE HG13 . 18604 1 1533 . 1 1 124 124 ILE HG21 H 1 0.945 0.002 . 1 . 552 . . 685 ILE HG21 . 18604 1 1534 . 1 1 124 124 ILE HG22 H 1 0.945 0.002 . 1 . 552 . . 685 ILE HG22 . 18604 1 1535 . 1 1 124 124 ILE HG23 H 1 0.945 0.002 . 1 . 552 . . 685 ILE HG23 . 18604 1 1536 . 1 1 124 124 ILE HD11 H 1 0.828 0.003 . 1 . 993 . . 685 ILE HD11 . 18604 1 1537 . 1 1 124 124 ILE HD12 H 1 0.828 0.003 . 1 . 993 . . 685 ILE HD12 . 18604 1 1538 . 1 1 124 124 ILE HD13 H 1 0.828 0.003 . 1 . 993 . . 685 ILE HD13 . 18604 1 1539 . 1 1 124 124 ILE C C 13 175.240 0.05 . 1 . 1437 . . 685 ILE C . 18604 1 1540 . 1 1 124 124 ILE CA C 13 59.386 0.061 . 1 . 291 . . 685 ILE CA . 18604 1 1541 . 1 1 124 124 ILE CB C 13 41.021 0.111 . 1 . 290 . . 685 ILE CB . 18604 1 1542 . 1 1 124 124 ILE CG1 C 13 26.668 0.056 . 1 . 878 . . 685 ILE CG1 . 18604 1 1543 . 1 1 124 124 ILE CG2 C 13 18.072 0.047 . 1 . 877 . . 685 ILE CG2 . 18604 1 1544 . 1 1 124 124 ILE CD1 C 13 13.797 0.094 . 1 . 992 . . 685 ILE CD1 . 18604 1 1545 . 1 1 124 124 ILE N N 15 123.260 0.049 . 1 . 4 . . 685 ILE N . 18604 1 1546 . 1 1 125 125 VAL H H 1 8.389 0.003 . 1 . 188 . . 686 VAL H . 18604 1 1547 . 1 1 125 125 VAL HA H 1 3.571 0.005 . 1 . 555 . . 686 VAL HA . 18604 1 1548 . 1 1 125 125 VAL HB H 1 1.846 0.003 . 1 . 781 . . 686 VAL HB . 18604 1 1549 . 1 1 125 125 VAL HG21 H 1 0.794 0.001 . 1 . 1290 . . 686 VAL HG21 . 18604 1 1550 . 1 1 125 125 VAL HG22 H 1 0.794 0.001 . 1 . 1290 . . 686 VAL HG22 . 18604 1 1551 . 1 1 125 125 VAL HG23 H 1 0.794 0.001 . 1 . 1290 . . 686 VAL HG23 . 18604 1 1552 . 1 1 125 125 VAL C C 13 175.217 0.05 . 1 . 1438 . . 686 VAL C . 18604 1 1553 . 1 1 125 125 VAL CA C 13 63.465 0.059 . 1 . 553 . . 686 VAL CA . 18604 1 1554 . 1 1 125 125 VAL CB C 13 32.408 0.08 . 1 . 554 . . 686 VAL CB . 18604 1 1555 . 1 1 125 125 VAL CG2 C 13 21.550 0.089 . 1 . 1289 . . 686 VAL CG2 . 18604 1 1556 . 1 1 125 125 VAL N N 15 124.262 0.038 . 1 . 189 . . 686 VAL N . 18604 1 1557 . 1 1 126 126 GLU H H 1 7.672 0.002 . 1 . 186 . . 687 GLU H . 18604 1 1558 . 1 1 126 126 GLU HA H 1 3.888 0.004 . 1 . 884 . . 687 GLU HA . 18604 1 1559 . 1 1 126 126 GLU HB2 H 1 1.629 0.005 . 2 . 886 . . 687 GLU HB2 . 18604 1 1560 . 1 1 126 126 GLU HB3 H 1 1.712 0.003 . 2 . 885 . . 687 GLU HB3 . 18604 1 1561 . 1 1 126 126 GLU HG2 H 1 2.084 0.009 . 2 . 1311 . . 687 GLU HG2 . 18604 1 1562 . 1 1 126 126 GLU HG3 H 1 2.043 0.005 . 2 . 1310 . . 687 GLU HG3 . 18604 1 1563 . 1 1 126 126 GLU C C 13 174.756 0.05 . 1 . 1439 . . 687 GLU C . 18604 1 1564 . 1 1 126 126 GLU CA C 13 58.553 0.068 . 1 . 556 . . 687 GLU CA . 18604 1 1565 . 1 1 126 126 GLU CB C 13 30.986 0.05 . 1 . 557 . . 687 GLU CB . 18604 1 1566 . 1 1 126 126 GLU CG C 13 36.774 0.081 . 1 . 887 . . 687 GLU CG . 18604 1 1567 . 1 1 126 126 GLU N N 15 130.872 0.034 . 1 . 187 . . 687 GLU N . 18604 1 stop_ save_