data_17275 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17275 _Entry.Title ; Solution Structure of Thioredoxin from Bacteroides Vulgatus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-02 _Entry.Accession_date 2010-11-02 _Entry.Last_release_date 2010-11-15 _Entry.Original_release_date 2010-11-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 R. Harris R. . . 17275 2 R. Foti R. . . 17275 3 R. Seidel R. D. . 17275 4 J. Bonanno J. B. . 17275 5 J. Freeman J. . . 17275 6 K. Bain K. T. . 17275 7 J. Sauder J. M. . 17275 8 S. Burley S. K. . 17275 9 M. Girvin M. E. . 17275 10 S. Almo S. C. . 17275 11 R. Harris . . . 17275 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 'PSI, Protein Structure Initiative' 'New York SGX Research Center for Structural Genomics' . 17275 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ELECTRON TRANSPORT' . 17275 'New York SGX Research Center for Structural Genomics' . 17275 'Protein Structure Initiative' . 17275 PSI-2 . 17275 'STRUCTURAL GENOMICS' . 17275 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17275 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 602 17275 '15N chemical shifts' 124 17275 '1H chemical shifts' 940 17275 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-11-15 2010-11-02 original author . 17275 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L5L 'BMRB Entry Tracking System' 17275 TargetDB NYSGXRC-11218b . 17275 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17275 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of Thioredoxin from Bacteroides Vulgatus' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 R. Harris R. . . 17275 1 2 R. Foti R. . . 17275 1 3 R. Seidel R. D. . 17275 1 4 J. Bonanno J. B. . 17275 1 5 J. Freeman J. . . 17275 1 6 K. Bain K. T. . 17275 1 7 J. Sauder J. M. . 17275 1 8 S. Burley S. K. . 17275 1 9 M. Girvin M. E. . 17275 1 10 S. Almo S. C. . 17275 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ELECTRON TRANSPORT' 17275 1 'STRUCTURAL GENOMICS' 17275 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17275 _Assembly.ID 1 _Assembly.Name thioredoxin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 thioredoxin 1 $thioredoxin A . yes native no no . . . 17275 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_thioredoxin _Entity.Sf_category entity _Entity.Sf_framecode thioredoxin _Entity.Entry_ID 17275 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name thioredoxin _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 ; MSLATEGNGKVIHLTKAEFL AKVYNFEKNPEEWKYEGDKP AIVDFYADWCGPCKMVAPIL DELAKEYDGQIVIYKVDTEK EQELAGAFGIRSIPSILFIP MEGKPEMAQGAMPKASFKKA IDEFLLKKEGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues A4 to K128 equivalent to amino acids 35-159 of Uniprot entry A6KZY4' _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15426.890 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L5L . "Solution Structure Of Thioredoxin From Bacteroides Vulgatus" . . . . . 100.00 136 100.00 100.00 6.20e-94 . . . . 17275 1 2 no EMBL CDF17279 . "thioredoxin [Bacteroides vulgatus CAG:6]" . . . . . 93.38 159 98.43 100.00 1.48e-85 . . . . 17275 1 3 no EMBL CUO83964 . "thioredoxin [Bacteroides vulgatus]" . . . . . 93.38 159 98.43 100.00 1.48e-85 . . . . 17275 1 4 no EMBL CUO94190 . "thioredoxin [Bacteroides vulgatus]" . . . . . 93.38 159 98.43 100.00 1.48e-85 . . . . 17275 1 5 no EMBL CUQ52614 . "thioredoxin [Bacteroides vulgatus]" . . . . . 93.38 159 98.43 100.00 1.48e-85 . . . . 17275 1 6 no GB ABR38998 . "thioredoxin [Bacteroides vulgatus ATCC 8482]" . . . . . 93.38 159 98.43 100.00 1.48e-85 . . . . 17275 1 7 no GB ALK84285 . "Thioredoxin [Bacteroides vulgatus]" . . . . . 93.38 159 98.43 100.00 1.48e-85 . . . . 17275 1 8 no GB EET13984 . "thioredoxin [Bacteroides sp. 4_3_47FAA]" . . . . . 93.38 159 98.43 100.00 1.48e-85 . . . . 17275 1 9 no GB EFG19548 . "thioredoxin [Bacteroides vulgatus PC510]" . . . . . 93.38 159 98.43 100.00 1.48e-85 . . . . 17275 1 10 no GB EFV69404 . "thioredoxin [Bacteroides sp. 3_1_40A]" . . . . . 93.38 159 98.43 100.00 1.48e-85 . . . . 17275 1 11 no REF WP_005838762 . "MULTISPECIES: thioredoxin [Bacteroides]" . . . . . 93.38 159 98.43 100.00 1.48e-85 . . . . 17275 1 12 no REF WP_016275089 . "MULTISPECIES: thioredoxin [Bacteroides]" . . . . . 93.38 159 97.64 100.00 5.13e-85 . . . . 17275 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 . MET . 17275 1 2 . SER . 17275 1 3 . LEU . 17275 1 4 . ALA . 17275 1 5 . THR . 17275 1 6 . GLU . 17275 1 7 . GLY . 17275 1 8 . ASN . 17275 1 9 . GLY . 17275 1 10 . LYS . 17275 1 11 . VAL . 17275 1 12 . ILE . 17275 1 13 . HIS . 17275 1 14 . LEU . 17275 1 15 . THR . 17275 1 16 . LYS . 17275 1 17 . ALA . 17275 1 18 . GLU . 17275 1 19 . PHE . 17275 1 20 . LEU . 17275 1 21 . ALA . 17275 1 22 . LYS . 17275 1 23 . VAL . 17275 1 24 . TYR . 17275 1 25 . ASN . 17275 1 26 . PHE . 17275 1 27 . GLU . 17275 1 28 . LYS . 17275 1 29 . ASN . 17275 1 30 . PRO . 17275 1 31 . GLU . 17275 1 32 . GLU . 17275 1 33 . TRP . 17275 1 34 . LYS . 17275 1 35 . TYR . 17275 1 36 . GLU . 17275 1 37 . GLY . 17275 1 38 . ASP . 17275 1 39 . LYS . 17275 1 40 . PRO . 17275 1 41 . ALA . 17275 1 42 . ILE . 17275 1 43 . VAL . 17275 1 44 . ASP . 17275 1 45 . PHE . 17275 1 46 . TYR . 17275 1 47 . ALA . 17275 1 48 . ASP . 17275 1 49 . TRP . 17275 1 50 . CYS . 17275 1 51 . GLY . 17275 1 52 . PRO . 17275 1 53 . CYS . 17275 1 54 . LYS . 17275 1 55 . MET . 17275 1 56 . VAL . 17275 1 57 . ALA . 17275 1 58 . PRO . 17275 1 59 . ILE . 17275 1 60 . LEU . 17275 1 61 . ASP . 17275 1 62 . GLU . 17275 1 63 . LEU . 17275 1 64 . ALA . 17275 1 65 . LYS . 17275 1 66 . GLU . 17275 1 67 . TYR . 17275 1 68 . ASP . 17275 1 69 . GLY . 17275 1 70 . GLN . 17275 1 71 . ILE . 17275 1 72 . VAL . 17275 1 73 . ILE . 17275 1 74 . TYR . 17275 1 75 . LYS . 17275 1 76 . VAL . 17275 1 77 . ASP . 17275 1 78 . THR . 17275 1 79 . GLU . 17275 1 80 . LYS . 17275 1 81 . GLU . 17275 1 82 . GLN . 17275 1 83 . GLU . 17275 1 84 . LEU . 17275 1 85 . ALA . 17275 1 86 . GLY . 17275 1 87 . ALA . 17275 1 88 . PHE . 17275 1 89 . GLY . 17275 1 90 . ILE . 17275 1 91 . ARG . 17275 1 92 . SER . 17275 1 93 . ILE . 17275 1 94 . PRO . 17275 1 95 . SER . 17275 1 96 . ILE . 17275 1 97 . LEU . 17275 1 98 . PHE . 17275 1 99 . ILE . 17275 1 100 . PRO . 17275 1 101 . MET . 17275 1 102 . GLU . 17275 1 103 . GLY . 17275 1 104 . LYS . 17275 1 105 . PRO . 17275 1 106 . GLU . 17275 1 107 . MET . 17275 1 108 . ALA . 17275 1 109 . GLN . 17275 1 110 . GLY . 17275 1 111 . ALA . 17275 1 112 . MET . 17275 1 113 . PRO . 17275 1 114 . LYS . 17275 1 115 . ALA . 17275 1 116 . SER . 17275 1 117 . PHE . 17275 1 118 . LYS . 17275 1 119 . LYS . 17275 1 120 . ALA . 17275 1 121 . ILE . 17275 1 122 . ASP . 17275 1 123 . GLU . 17275 1 124 . PHE . 17275 1 125 . LEU . 17275 1 126 . LEU . 17275 1 127 . LYS . 17275 1 128 . LYS . 17275 1 129 . GLU . 17275 1 130 . GLY . 17275 1 131 . HIS . 17275 1 132 . HIS . 17275 1 133 . HIS . 17275 1 134 . HIS . 17275 1 135 . HIS . 17275 1 136 . HIS . 17275 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17275 1 . SER 2 2 17275 1 . LEU 3 3 17275 1 . ALA 4 4 17275 1 . THR 5 5 17275 1 . GLU 6 6 17275 1 . GLY 7 7 17275 1 . ASN 8 8 17275 1 . GLY 9 9 17275 1 . LYS 10 10 17275 1 . VAL 11 11 17275 1 . ILE 12 12 17275 1 . HIS 13 13 17275 1 . LEU 14 14 17275 1 . THR 15 15 17275 1 . LYS 16 16 17275 1 . ALA 17 17 17275 1 . GLU 18 18 17275 1 . PHE 19 19 17275 1 . LEU 20 20 17275 1 . ALA 21 21 17275 1 . LYS 22 22 17275 1 . VAL 23 23 17275 1 . TYR 24 24 17275 1 . ASN 25 25 17275 1 . PHE 26 26 17275 1 . GLU 27 27 17275 1 . LYS 28 28 17275 1 . ASN 29 29 17275 1 . PRO 30 30 17275 1 . GLU 31 31 17275 1 . GLU 32 32 17275 1 . TRP 33 33 17275 1 . LYS 34 34 17275 1 . TYR 35 35 17275 1 . GLU 36 36 17275 1 . GLY 37 37 17275 1 . ASP 38 38 17275 1 . LYS 39 39 17275 1 . PRO 40 40 17275 1 . ALA 41 41 17275 1 . ILE 42 42 17275 1 . VAL 43 43 17275 1 . ASP 44 44 17275 1 . PHE 45 45 17275 1 . TYR 46 46 17275 1 . ALA 47 47 17275 1 . ASP 48 48 17275 1 . TRP 49 49 17275 1 . CYS 50 50 17275 1 . GLY 51 51 17275 1 . PRO 52 52 17275 1 . CYS 53 53 17275 1 . LYS 54 54 17275 1 . MET 55 55 17275 1 . VAL 56 56 17275 1 . ALA 57 57 17275 1 . PRO 58 58 17275 1 . ILE 59 59 17275 1 . LEU 60 60 17275 1 . ASP 61 61 17275 1 . GLU 62 62 17275 1 . LEU 63 63 17275 1 . ALA 64 64 17275 1 . LYS 65 65 17275 1 . GLU 66 66 17275 1 . TYR 67 67 17275 1 . ASP 68 68 17275 1 . GLY 69 69 17275 1 . GLN 70 70 17275 1 . ILE 71 71 17275 1 . VAL 72 72 17275 1 . ILE 73 73 17275 1 . TYR 74 74 17275 1 . LYS 75 75 17275 1 . VAL 76 76 17275 1 . ASP 77 77 17275 1 . THR 78 78 17275 1 . GLU 79 79 17275 1 . LYS 80 80 17275 1 . GLU 81 81 17275 1 . GLN 82 82 17275 1 . GLU 83 83 17275 1 . LEU 84 84 17275 1 . ALA 85 85 17275 1 . GLY 86 86 17275 1 . ALA 87 87 17275 1 . PHE 88 88 17275 1 . GLY 89 89 17275 1 . ILE 90 90 17275 1 . ARG 91 91 17275 1 . SER 92 92 17275 1 . ILE 93 93 17275 1 . PRO 94 94 17275 1 . SER 95 95 17275 1 . ILE 96 96 17275 1 . LEU 97 97 17275 1 . PHE 98 98 17275 1 . ILE 99 99 17275 1 . PRO 100 100 17275 1 . MET 101 101 17275 1 . GLU 102 102 17275 1 . GLY 103 103 17275 1 . LYS 104 104 17275 1 . PRO 105 105 17275 1 . GLU 106 106 17275 1 . MET 107 107 17275 1 . ALA 108 108 17275 1 . GLN 109 109 17275 1 . GLY 110 110 17275 1 . ALA 111 111 17275 1 . MET 112 112 17275 1 . PRO 113 113 17275 1 . LYS 114 114 17275 1 . ALA 115 115 17275 1 . SER 116 116 17275 1 . PHE 117 117 17275 1 . LYS 118 118 17275 1 . LYS 119 119 17275 1 . ALA 120 120 17275 1 . ILE 121 121 17275 1 . ASP 122 122 17275 1 . GLU 123 123 17275 1 . PHE 124 124 17275 1 . LEU 125 125 17275 1 . LEU 126 126 17275 1 . LYS 127 127 17275 1 . LYS 128 128 17275 1 . GLU 129 129 17275 1 . GLY 130 130 17275 1 . HIS 131 131 17275 1 . HIS 132 132 17275 1 . HIS 133 133 17275 1 . HIS 134 134 17275 1 . HIS 135 135 17275 1 . HIS 136 136 17275 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 17275 _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 $thioredoxin . 821 organism . 'Bacteroides vulgatus' 'Bacteroides vulgatus' . . Bacteria . Bacteroides vulgatus . . . . . . . . . . . . . . . . BVU_1309 . . . . 17275 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 17275 _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 $thioredoxin . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET . . 'modified pET26' . . . . . . 17275 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17275 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 50mM NaCl, pH 6.8, 1mM DTT' _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 thioredoxin '[U-100% 13C; U-100% 15N]' . . 1 $thioredoxin . . 1 . . mM . . . . 17275 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17275 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17275 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17275 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17275 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17275 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17275 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 50mM NaCl, pD6.4, 1mM DTT' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 thioredoxin '[U-100% 13C; U-100% 15N]' . . 1 $thioredoxin . . 1 . . mM . . . . 17275 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17275 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17275 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 17275 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17275 2 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 17275 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 17275 1 pH 6.8 . pH 17275 1 pressure 1 . atm 17275 1 temperature 298 . K 17275 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 17275 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 17275 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17275 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 17275 _Software.ID 2 _Software.Name CCPN_Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 17275 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17275 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17275 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17275 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 17275 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian Inova . 600 . . . 17275 1 2 spectrometer_2 Bruker DRX . 600 . . . 17275 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 17275 _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 '15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17275 1 2 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17275 1 3 '13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17275 1 4 'aromatic 13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17275 1 5 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17275 1 6 '13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17275 1 7 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17275 1 8 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17275 1 9 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17275 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17275 1 11 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17275 1 12 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17275 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 17275 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17275 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17275 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17275 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17275 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '15N HSQC' . . . 17275 1 3 '13C HSQC' . . . 17275 1 4 'aromatic 13C HSQC' . . . 17275 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CCPN_Analysis . . 17275 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HA H 1 4.108 0.000 . 1 . . . . 2 Ser HA . 17275 1 2 . 1 1 2 2 SER HB2 H 1 3.987 0.000 . 1 . . . . 2 Ser HB2 . 17275 1 3 . 1 1 2 2 SER HB3 H 1 3.987 0.000 . 1 . . . . 2 Ser HB3 . 17275 1 4 . 1 1 2 2 SER CA C 13 57.363 0.000 . 1 . . . . 2 Ser CA . 17275 1 5 . 1 1 2 2 SER CB C 13 63.806 0.000 . 1 . . . . 2 Ser CB . 17275 1 6 . 1 1 3 3 LEU HA H 1 4.416 0.009 . 1 . . . . 3 Leu HA . 17275 1 7 . 1 1 3 3 LEU HB2 H 1 1.666 0.004 . 1 . . . . 3 Leu HB2 . 17275 1 8 . 1 1 3 3 LEU HB3 H 1 1.666 0.004 . 1 . . . . 3 Leu HB3 . 17275 1 9 . 1 1 3 3 LEU HD11 H 1 0.959 0.000 . 2 . . . . 3 Leu HD11 . 17275 1 10 . 1 1 3 3 LEU HD12 H 1 0.959 0.000 . 2 . . . . 3 Leu HD12 . 17275 1 11 . 1 1 3 3 LEU HD13 H 1 0.959 0.000 . 2 . . . . 3 Leu HD13 . 17275 1 12 . 1 1 3 3 LEU HD21 H 1 0.932 0.011 . 2 . . . . 3 Leu HD21 . 17275 1 13 . 1 1 3 3 LEU HD22 H 1 0.932 0.011 . 2 . . . . 3 Leu HD22 . 17275 1 14 . 1 1 3 3 LEU HD23 H 1 0.932 0.011 . 2 . . . . 3 Leu HD23 . 17275 1 15 . 1 1 3 3 LEU HG H 1 1.685 0.000 . 1 . . . . 3 Leu HG . 17275 1 16 . 1 1 3 3 LEU C C 13 177.501 0.004 . 1 . . . . 3 Leu C . 17275 1 17 . 1 1 3 3 LEU CA C 13 55.533 0.064 . 1 . . . . 3 Leu CA . 17275 1 18 . 1 1 3 3 LEU CB C 13 42.553 0.024 . 1 . . . . 3 Leu CB . 17275 1 19 . 1 1 3 3 LEU CD1 C 13 24.885 0.000 . 2 . . . . 3 Leu CD1 . 17275 1 20 . 1 1 3 3 LEU CD2 C 13 23.645 0.026 . 2 . . . . 3 Leu CD2 . 17275 1 21 . 1 1 3 3 LEU CG C 13 27.114 0.000 . 1 . . . . 3 Leu CG . 17275 1 22 . 1 1 4 4 ALA H H 1 8.465 0.005 . 1 . . . . 4 Ala H . 17275 1 23 . 1 1 4 4 ALA HA H 1 4.400 0.015 . 1 . . . . 4 Ala HA . 17275 1 24 . 1 1 4 4 ALA HB1 H 1 1.445 0.004 . 1 . . . . 4 Ala HB1 . 17275 1 25 . 1 1 4 4 ALA HB2 H 1 1.445 0.004 . 1 . . . . 4 Ala HB2 . 17275 1 26 . 1 1 4 4 ALA HB3 H 1 1.445 0.004 . 1 . . . . 4 Ala HB3 . 17275 1 27 . 1 1 4 4 ALA C C 13 178.249 0.009 . 1 . . . . 4 Ala C . 17275 1 28 . 1 1 4 4 ALA CA C 13 52.963 0.045 . 1 . . . . 4 Ala CA . 17275 1 29 . 1 1 4 4 ALA CB C 13 19.143 0.014 . 1 . . . . 4 Ala CB . 17275 1 30 . 1 1 4 4 ALA N N 15 124.792 0.064 . 1 . . . . 4 Ala N . 17275 1 31 . 1 1 5 5 THR H H 1 8.022 0.007 . 1 . . . . 5 Thr H . 17275 1 32 . 1 1 5 5 THR HA H 1 4.363 0.013 . 1 . . . . 5 Thr HA . 17275 1 33 . 1 1 5 5 THR HB H 1 4.333 0.006 . 1 . . . . 5 Thr HB . 17275 1 34 . 1 1 5 5 THR HG21 H 1 1.229 0.008 . 1 . . . . 5 Thr HG21 . 17275 1 35 . 1 1 5 5 THR HG22 H 1 1.229 0.008 . 1 . . . . 5 Thr HG22 . 17275 1 36 . 1 1 5 5 THR HG23 H 1 1.229 0.008 . 1 . . . . 5 Thr HG23 . 17275 1 37 . 1 1 5 5 THR C C 13 174.947 0.015 . 1 . . . . 5 Thr C . 17275 1 38 . 1 1 5 5 THR CA C 13 61.772 0.070 . 1 . . . . 5 Thr CA . 17275 1 39 . 1 1 5 5 THR CB C 13 69.721 0.024 . 1 . . . . 5 Thr CB . 17275 1 40 . 1 1 5 5 THR CG2 C 13 21.711 0.000 . 1 . . . . 5 Thr CG2 . 17275 1 41 . 1 1 5 5 THR N N 15 112.012 0.046 . 1 . . . . 5 Thr N . 17275 1 42 . 1 1 6 6 GLU H H 1 8.315 0.011 . 1 . . . . 6 Glu H . 17275 1 43 . 1 1 6 6 GLU HA H 1 4.371 0.011 . 1 . . . . 6 Glu HA . 17275 1 44 . 1 1 6 6 GLU HB2 H 1 2.104 0.004 . 2 . . . . 6 Glu HB2 . 17275 1 45 . 1 1 6 6 GLU HB3 H 1 2.007 0.007 . 2 . . . . 6 Glu HB3 . 17275 1 46 . 1 1 6 6 GLU HG2 H 1 2.316 0.005 . 1 . . . . 6 Glu HG2 . 17275 1 47 . 1 1 6 6 GLU HG3 H 1 2.316 0.005 . 1 . . . . 6 Glu HG3 . 17275 1 48 . 1 1 6 6 GLU C C 13 176.915 0.011 . 1 . . . . 6 Glu C . 17275 1 49 . 1 1 6 6 GLU CA C 13 56.804 0.053 . 1 . . . . 6 Glu CA . 17275 1 50 . 1 1 6 6 GLU CB C 13 30.524 0.003 . 1 . . . . 6 Glu CB . 17275 1 51 . 1 1 6 6 GLU CG C 13 36.634 0.000 . 1 . . . . 6 Glu CG . 17275 1 52 . 1 1 6 6 GLU N N 15 122.881 0.067 . 1 . . . . 6 Glu N . 17275 1 53 . 1 1 7 7 GLY H H 1 8.453 0.018 . 1 . . . . 7 Gly H . 17275 1 54 . 1 1 7 7 GLY HA2 H 1 4.027 0.010 . 1 . . . . 7 Gly HA2 . 17275 1 55 . 1 1 7 7 GLY HA3 H 1 4.027 0.010 . 1 . . . . 7 Gly HA3 . 17275 1 56 . 1 1 7 7 GLY C C 13 173.989 0.015 . 1 . . . . 7 Gly C . 17275 1 57 . 1 1 7 7 GLY CA C 13 45.395 0.081 . 1 . . . . 7 Gly CA . 17275 1 58 . 1 1 7 7 GLY N N 15 109.559 0.088 . 1 . . . . 7 Gly N . 17275 1 59 . 1 1 8 8 ASN H H 1 8.406 0.008 . 1 . . . . 8 Asn H . 17275 1 60 . 1 1 8 8 ASN HA H 1 4.817 0.009 . 1 . . . . 8 Asn HA . 17275 1 61 . 1 1 8 8 ASN HB2 H 1 2.943 0.007 . 2 . . . . 8 Asn HB2 . 17275 1 62 . 1 1 8 8 ASN HB3 H 1 2.816 0.011 . 2 . . . . 8 Asn HB3 . 17275 1 63 . 1 1 8 8 ASN HD21 H 1 7.781 0.004 . 1 . . . . 8 Asn HD21 . 17275 1 64 . 1 1 8 8 ASN HD22 H 1 6.913 0.003 . 1 . . . . 8 Asn HD22 . 17275 1 65 . 1 1 8 8 ASN C C 13 175.896 0.000 . 1 . . . . 8 Asn C . 17275 1 66 . 1 1 8 8 ASN CA C 13 53.366 0.049 . 1 . . . . 8 Asn CA . 17275 1 67 . 1 1 8 8 ASN CB C 13 39.232 0.021 . 1 . . . . 8 Asn CB . 17275 1 68 . 1 1 8 8 ASN N N 15 118.405 0.035 . 1 . . . . 8 Asn N . 17275 1 69 . 1 1 8 8 ASN ND2 N 15 113.463 0.045 . 1 . . . . 8 Asn ND2 . 17275 1 70 . 1 1 9 9 GLY H H 1 8.560 0.008 . 1 . . . . 9 Gly H . 17275 1 71 . 1 1 9 9 GLY HA2 H 1 3.826 0.009 . 1 . . . . 9 Gly HA2 . 17275 1 72 . 1 1 9 9 GLY HA3 H 1 3.826 0.009 . 1 . . . . 9 Gly HA3 . 17275 1 73 . 1 1 9 9 GLY C C 13 173.365 0.007 . 1 . . . . 9 Gly C . 17275 1 74 . 1 1 9 9 GLY CA C 13 46.555 0.038 . 1 . . . . 9 Gly CA . 17275 1 75 . 1 1 9 9 GLY N N 15 109.155 0.071 . 1 . . . . 9 Gly N . 17275 1 76 . 1 1 10 10 LYS H H 1 7.806 0.023 . 1 . . . . 10 Lys H . 17275 1 77 . 1 1 10 10 LYS HA H 1 4.545 0.009 . 1 . . . . 10 Lys HA . 17275 1 78 . 1 1 10 10 LYS HB2 H 1 1.835 0.005 . 2 . . . . 10 Lys HB2 . 17275 1 79 . 1 1 10 10 LYS HB3 H 1 1.641 0.006 . 2 . . . . 10 Lys HB3 . 17275 1 80 . 1 1 10 10 LYS HD2 H 1 1.648 0.004 . 1 . . . . 10 Lys HD2 . 17275 1 81 . 1 1 10 10 LYS HD3 H 1 1.647 0.004 . 1 . . . . 10 Lys HD3 . 17275 1 82 . 1 1 10 10 LYS HE2 H 1 3.015 0.004 . 1 . . . . 10 Lys HE2 . 17275 1 83 . 1 1 10 10 LYS HE3 H 1 3.015 0.004 . 1 . . . . 10 Lys HE3 . 17275 1 84 . 1 1 10 10 LYS HG2 H 1 1.329 0.005 . 1 . . . . 10 Lys HG2 . 17275 1 85 . 1 1 10 10 LYS HG3 H 1 1.329 0.005 . 1 . . . . 10 Lys HG3 . 17275 1 86 . 1 1 10 10 LYS C C 13 175.707 0.023 . 1 . . . . 10 Lys C . 17275 1 87 . 1 1 10 10 LYS CA C 13 54.600 0.057 . 1 . . . . 10 Lys CA . 17275 1 88 . 1 1 10 10 LYS CB C 13 35.682 0.046 . 1 . . . . 10 Lys CB . 17275 1 89 . 1 1 10 10 LYS CD C 13 28.980 0.000 . 1 . . . . 10 Lys CD . 17275 1 90 . 1 1 10 10 LYS CE C 13 42.051 0.000 . 1 . . . . 10 Lys CE . 17275 1 91 . 1 1 10 10 LYS CG C 13 24.407 0.000 . 1 . . . . 10 Lys CG . 17275 1 92 . 1 1 10 10 LYS N N 15 118.317 0.129 . 1 . . . . 10 Lys N . 17275 1 93 . 1 1 11 11 VAL H H 1 8.464 0.004 . 1 . . . . 11 Val H . 17275 1 94 . 1 1 11 11 VAL HA H 1 4.207 0.009 . 1 . . . . 11 Val HA . 17275 1 95 . 1 1 11 11 VAL HB H 1 1.790 0.007 . 1 . . . . 11 Val HB . 17275 1 96 . 1 1 11 11 VAL HG11 H 1 0.779 0.006 . 2 . . . . 11 Val HG11 . 17275 1 97 . 1 1 11 11 VAL HG12 H 1 0.779 0.006 . 2 . . . . 11 Val HG12 . 17275 1 98 . 1 1 11 11 VAL HG13 H 1 0.779 0.006 . 2 . . . . 11 Val HG13 . 17275 1 99 . 1 1 11 11 VAL HG21 H 1 0.652 0.007 . 2 . . . . 11 Val HG21 . 17275 1 100 . 1 1 11 11 VAL HG22 H 1 0.652 0.007 . 2 . . . . 11 Val HG22 . 17275 1 101 . 1 1 11 11 VAL HG23 H 1 0.652 0.007 . 2 . . . . 11 Val HG23 . 17275 1 102 . 1 1 11 11 VAL C C 13 176.221 0.015 . 1 . . . . 11 Val C . 17275 1 103 . 1 1 11 11 VAL CA C 13 62.206 0.055 . 1 . . . . 11 Val CA . 17275 1 104 . 1 1 11 11 VAL CB C 13 31.737 0.059 . 1 . . . . 11 Val CB . 17275 1 105 . 1 1 11 11 VAL CG1 C 13 21.446 0.024 . 2 . . . . 11 Val CG1 . 17275 1 106 . 1 1 11 11 VAL CG2 C 13 21.456 0.042 . 2 . . . . 11 Val CG2 . 17275 1 107 . 1 1 11 11 VAL N N 15 121.098 0.063 . 1 . . . . 11 Val N . 17275 1 108 . 1 1 12 12 ILE H H 1 8.777 0.008 . 1 . . . . 12 Ile H . 17275 1 109 . 1 1 12 12 ILE HA H 1 4.359 0.006 . 1 . . . . 12 Ile HA . 17275 1 110 . 1 1 12 12 ILE HB H 1 1.994 0.008 . 1 . . . . 12 Ile HB . 17275 1 111 . 1 1 12 12 ILE HD11 H 1 0.881 0.004 . 1 . . . . 12 Ile HD11 . 17275 1 112 . 1 1 12 12 ILE HD12 H 1 0.881 0.004 . 1 . . . . 12 Ile HD12 . 17275 1 113 . 1 1 12 12 ILE HD13 H 1 0.881 0.004 . 1 . . . . 12 Ile HD13 . 17275 1 114 . 1 1 12 12 ILE HG12 H 1 1.627 0.010 . 2 . . . . 12 Ile HG12 . 17275 1 115 . 1 1 12 12 ILE HG13 H 1 1.171 0.004 . 2 . . . . 12 Ile HG13 . 17275 1 116 . 1 1 12 12 ILE HG21 H 1 1.127 0.006 . 1 . . . . 12 Ile HG21 . 17275 1 117 . 1 1 12 12 ILE HG22 H 1 1.127 0.006 . 1 . . . . 12 Ile HG22 . 17275 1 118 . 1 1 12 12 ILE HG23 H 1 1.127 0.006 . 1 . . . . 12 Ile HG23 . 17275 1 119 . 1 1 12 12 ILE C C 13 176.303 0.000 . 1 . . . . 12 Ile C . 17275 1 120 . 1 1 12 12 ILE CA C 13 60.704 0.059 . 1 . . . . 12 Ile CA . 17275 1 121 . 1 1 12 12 ILE CB C 13 40.499 0.043 . 1 . . . . 12 Ile CB . 17275 1 122 . 1 1 12 12 ILE CD1 C 13 13.459 0.018 . 1 . . . . 12 Ile CD1 . 17275 1 123 . 1 1 12 12 ILE CG1 C 13 27.498 0.053 . 1 . . . . 12 Ile CG1 . 17275 1 124 . 1 1 12 12 ILE CG2 C 13 17.351 0.012 . 1 . . . . 12 Ile CG2 . 17275 1 125 . 1 1 12 12 ILE N N 15 128.755 0.071 . 1 . . . . 12 Ile N . 17275 1 126 . 1 1 13 13 HIS H H 1 9.043 0.006 . 1 . . . . 13 His H . 17275 1 127 . 1 1 13 13 HIS HA H 1 5.055 0.008 . 1 . . . . 13 His HA . 17275 1 128 . 1 1 13 13 HIS HB2 H 1 3.186 0.005 . 1 . . . . 13 His HB2 . 17275 1 129 . 1 1 13 13 HIS HB3 H 1 3.186 0.005 . 1 . . . . 13 His HB3 . 17275 1 130 . 1 1 13 13 HIS HD2 H 1 7.161 0.004 . 1 . . . . 13 His HD2 . 17275 1 131 . 1 1 13 13 HIS C C 13 175.616 0.005 . 1 . . . . 13 His C . 17275 1 132 . 1 1 13 13 HIS CA C 13 57.141 0.043 . 1 . . . . 13 His CA . 17275 1 133 . 1 1 13 13 HIS CB C 13 31.029 0.052 . 1 . . . . 13 His CB . 17275 1 134 . 1 1 13 13 HIS CD2 C 13 120.985 0.058 . 1 . . . . 13 His CD2 . 17275 1 135 . 1 1 13 13 HIS N N 15 128.017 0.041 . 1 . . . . 13 His N . 17275 1 136 . 1 1 14 14 LEU H H 1 8.446 0.005 . 1 . . . . 14 Leu H . 17275 1 137 . 1 1 14 14 LEU HA H 1 5.086 0.010 . 1 . . . . 14 Leu HA . 17275 1 138 . 1 1 14 14 LEU HB2 H 1 1.711 0.007 . 2 . . . . 14 Leu HB2 . 17275 1 139 . 1 1 14 14 LEU HB3 H 1 1.530 0.007 . 2 . . . . 14 Leu HB3 . 17275 1 140 . 1 1 14 14 LEU HD11 H 1 0.607 0.009 . 2 . . . . 14 Leu HD11 . 17275 1 141 . 1 1 14 14 LEU HD12 H 1 0.607 0.009 . 2 . . . . 14 Leu HD12 . 17275 1 142 . 1 1 14 14 LEU HD13 H 1 0.607 0.009 . 2 . . . . 14 Leu HD13 . 17275 1 143 . 1 1 14 14 LEU HD21 H 1 0.136 0.006 . 2 . . . . 14 Leu HD21 . 17275 1 144 . 1 1 14 14 LEU HD22 H 1 0.136 0.006 . 2 . . . . 14 Leu HD22 . 17275 1 145 . 1 1 14 14 LEU HD23 H 1 0.136 0.006 . 2 . . . . 14 Leu HD23 . 17275 1 146 . 1 1 14 14 LEU HG H 1 1.545 0.009 . 1 . . . . 14 Leu HG . 17275 1 147 . 1 1 14 14 LEU C C 13 176.792 0.000 . 1 . . . . 14 Leu C . 17275 1 148 . 1 1 14 14 LEU CA C 13 54.153 0.044 . 1 . . . . 14 Leu CA . 17275 1 149 . 1 1 14 14 LEU CB C 13 46.421 0.028 . 1 . . . . 14 Leu CB . 17275 1 150 . 1 1 14 14 LEU CD1 C 13 23.753 0.011 . 2 . . . . 14 Leu CD1 . 17275 1 151 . 1 1 14 14 LEU CD2 C 13 27.092 0.019 . 2 . . . . 14 Leu CD2 . 17275 1 152 . 1 1 14 14 LEU CG C 13 26.150 0.065 . 1 . . . . 14 Leu CG . 17275 1 153 . 1 1 14 14 LEU N N 15 121.472 0.117 . 1 . . . . 14 Leu N . 17275 1 154 . 1 1 15 15 THR H H 1 7.749 0.004 . 1 . . . . 15 Thr H . 17275 1 155 . 1 1 15 15 THR HA H 1 4.753 0.010 . 1 . . . . 15 Thr HA . 17275 1 156 . 1 1 15 15 THR HB H 1 4.673 0.006 . 1 . . . . 15 Thr HB . 17275 1 157 . 1 1 15 15 THR HG21 H 1 1.417 0.004 . 1 . . . . 15 Thr HG21 . 17275 1 158 . 1 1 15 15 THR HG22 H 1 1.417 0.004 . 1 . . . . 15 Thr HG22 . 17275 1 159 . 1 1 15 15 THR HG23 H 1 1.417 0.004 . 1 . . . . 15 Thr HG23 . 17275 1 160 . 1 1 15 15 THR C C 13 176.535 0.035 . 1 . . . . 15 Thr C . 17275 1 161 . 1 1 15 15 THR CA C 13 59.479 0.039 . 1 . . . . 15 Thr CA . 17275 1 162 . 1 1 15 15 THR CB C 13 72.461 0.026 . 1 . . . . 15 Thr CB . 17275 1 163 . 1 1 15 15 THR CG2 C 13 21.831 0.000 . 1 . . . . 15 Thr CG2 . 17275 1 164 . 1 1 15 15 THR N N 15 110.537 0.053 . 1 . . . . 15 Thr N . 17275 1 165 . 1 1 16 16 LYS H H 1 8.285 0.007 . 1 . . . . 16 Lys H . 17275 1 166 . 1 1 16 16 LYS HA H 1 3.961 0.008 . 1 . . . . 16 Lys HA . 17275 1 167 . 1 1 16 16 LYS HB2 H 1 2.402 0.008 . 2 . . . . 16 Lys HB2 . 17275 1 168 . 1 1 16 16 LYS HB3 H 1 1.978 0.010 . 2 . . . . 16 Lys HB3 . 17275 1 169 . 1 1 16 16 LYS HD2 H 1 1.839 0.007 . 1 . . . . 16 Lys HD2 . 17275 1 170 . 1 1 16 16 LYS HD3 H 1 1.839 0.007 . 1 . . . . 16 Lys HD3 . 17275 1 171 . 1 1 16 16 LYS HE2 H 1 2.893 0.003 . 1 . . . . 16 Lys HE2 . 17275 1 172 . 1 1 16 16 LYS HE3 H 1 2.893 0.003 . 1 . . . . 16 Lys HE3 . 17275 1 173 . 1 1 16 16 LYS HG2 H 1 1.432 0.006 . 1 . . . . 16 Lys HG2 . 17275 1 174 . 1 1 16 16 LYS HG3 H 1 1.432 0.007 . 1 . . . . 16 Lys HG3 . 17275 1 175 . 1 1 16 16 LYS C C 13 177.338 0.010 . 1 . . . . 16 Lys C . 17275 1 176 . 1 1 16 16 LYS CA C 13 61.920 0.040 . 1 . . . . 16 Lys CA . 17275 1 177 . 1 1 16 16 LYS CB C 13 31.587 0.035 . 1 . . . . 16 Lys CB . 17275 1 178 . 1 1 16 16 LYS CD C 13 29.437 0.000 . 1 . . . . 16 Lys CD . 17275 1 179 . 1 1 16 16 LYS CE C 13 42.045 0.004 . 1 . . . . 16 Lys CE . 17275 1 180 . 1 1 16 16 LYS CG C 13 25.800 0.084 . 1 . . . . 16 Lys CG . 17275 1 181 . 1 1 16 16 LYS N N 15 121.194 0.067 . 1 . . . . 16 Lys N . 17275 1 182 . 1 1 17 17 ALA H H 1 8.842 0.006 . 1 . . . . 17 Ala H . 17275 1 183 . 1 1 17 17 ALA HA H 1 4.009 0.008 . 1 . . . . 17 Ala HA . 17275 1 184 . 1 1 17 17 ALA HB1 H 1 1.429 0.006 . 1 . . . . 17 Ala HB1 . 17275 1 185 . 1 1 17 17 ALA HB2 H 1 1.429 0.006 . 1 . . . . 17 Ala HB2 . 17275 1 186 . 1 1 17 17 ALA HB3 H 1 1.429 0.006 . 1 . . . . 17 Ala HB3 . 17275 1 187 . 1 1 17 17 ALA C C 13 181.468 0.003 . 1 . . . . 17 Ala C . 17275 1 188 . 1 1 17 17 ALA CA C 13 55.697 0.034 . 1 . . . . 17 Ala CA . 17275 1 189 . 1 1 17 17 ALA CB C 13 18.309 0.023 . 1 . . . . 17 Ala CB . 17275 1 190 . 1 1 17 17 ALA N N 15 118.579 0.048 . 1 . . . . 17 Ala N . 17275 1 191 . 1 1 18 18 GLU H H 1 7.381 0.007 . 1 . . . . 18 Glu H . 17275 1 192 . 1 1 18 18 GLU HA H 1 4.198 0.013 . 1 . . . . 18 Glu HA . 17275 1 193 . 1 1 18 18 GLU HB2 H 1 2.207 0.009 . 2 . . . . 18 Glu HB2 . 17275 1 194 . 1 1 18 18 GLU HB3 H 1 2.029 0.008 . 2 . . . . 18 Glu HB3 . 17275 1 195 . 1 1 18 18 GLU HG2 H 1 2.264 0.004 . 2 . . . . 18 Glu HG2 . 17275 1 196 . 1 1 18 18 GLU HG3 H 1 2.360 0.008 . 2 . . . . 18 Glu HG3 . 17275 1 197 . 1 1 18 18 GLU C C 13 178.079 0.014 . 1 . . . . 18 Glu C . 17275 1 198 . 1 1 18 18 GLU CA C 13 58.523 0.054 . 1 . . . . 18 Glu CA . 17275 1 199 . 1 1 18 18 GLU CB C 13 31.751 0.046 . 1 . . . . 18 Glu CB . 17275 1 200 . 1 1 18 18 GLU CG C 13 37.104 0.030 . 1 . . . . 18 Glu CG . 17275 1 201 . 1 1 18 18 GLU N N 15 116.399 0.072 . 1 . . . . 18 Glu N . 17275 1 202 . 1 1 19 19 PHE H H 1 9.030 0.005 . 1 . . . . 19 Phe H . 17275 1 203 . 1 1 19 19 PHE HA H 1 3.714 0.011 . 1 . . . . 19 Phe HA . 17275 1 204 . 1 1 19 19 PHE HB2 H 1 3.707 0.009 . 2 . . . . 19 Phe HB2 . 17275 1 205 . 1 1 19 19 PHE HB3 H 1 2.871 0.008 . 2 . . . . 19 Phe HB3 . 17275 1 206 . 1 1 19 19 PHE HD1 H 1 7.237 0.006 . 3 . . . . 19 Phe HD1 . 17275 1 207 . 1 1 19 19 PHE HD2 H 1 7.237 0.006 . 3 . . . . 19 Phe HD2 . 17275 1 208 . 1 1 19 19 PHE HE1 H 1 7.617 0.008 . 3 . . . . 19 Phe HE1 . 17275 1 209 . 1 1 19 19 PHE HE2 H 1 7.617 0.008 . 3 . . . . 19 Phe HE2 . 17275 1 210 . 1 1 19 19 PHE HZ H 1 7.373 0.009 . 1 . . . . 19 Phe HZ . 17275 1 211 . 1 1 19 19 PHE C C 13 178.315 0.026 . 1 . . . . 19 Phe C . 17275 1 212 . 1 1 19 19 PHE CA C 13 61.831 0.042 . 1 . . . . 19 Phe CA . 17275 1 213 . 1 1 19 19 PHE CB C 13 40.570 0.056 . 1 . . . . 19 Phe CB . 17275 1 214 . 1 1 19 19 PHE CD1 C 13 133.518 0.020 . 3 . . . . 19 Phe CD1 . 17275 1 215 . 1 1 19 19 PHE CD2 C 13 133.518 0.020 . 3 . . . . 19 Phe CD2 . 17275 1 216 . 1 1 19 19 PHE CE1 C 13 130.809 0.088 . 3 . . . . 19 Phe CE1 . 17275 1 217 . 1 1 19 19 PHE CE2 C 13 130.809 0.088 . 3 . . . . 19 Phe CE2 . 17275 1 218 . 1 1 19 19 PHE CZ C 13 131.191 0.000 . 1 . . . . 19 Phe CZ . 17275 1 219 . 1 1 19 19 PHE N N 15 122.740 0.051 . 1 . . . . 19 Phe N . 17275 1 220 . 1 1 20 20 LEU H H 1 8.519 0.012 . 1 . . . . 20 Leu H . 17275 1 221 . 1 1 20 20 LEU HA H 1 4.133 0.006 . 1 . . . . 20 Leu HA . 17275 1 222 . 1 1 20 20 LEU HB2 H 1 1.853 0.007 . 2 . . . . 20 Leu HB2 . 17275 1 223 . 1 1 20 20 LEU HB3 H 1 1.167 0.008 . 2 . . . . 20 Leu HB3 . 17275 1 224 . 1 1 20 20 LEU HD11 H 1 0.654 0.007 . 2 . . . . 20 Leu HD11 . 17275 1 225 . 1 1 20 20 LEU HD12 H 1 0.654 0.007 . 2 . . . . 20 Leu HD12 . 17275 1 226 . 1 1 20 20 LEU HD13 H 1 0.654 0.007 . 2 . . . . 20 Leu HD13 . 17275 1 227 . 1 1 20 20 LEU HD21 H 1 0.352 0.006 . 2 . . . . 20 Leu HD21 . 17275 1 228 . 1 1 20 20 LEU HD22 H 1 0.352 0.006 . 2 . . . . 20 Leu HD22 . 17275 1 229 . 1 1 20 20 LEU HD23 H 1 0.352 0.006 . 2 . . . . 20 Leu HD23 . 17275 1 230 . 1 1 20 20 LEU HG H 1 1.969 0.011 . 1 . . . . 20 Leu HG . 17275 1 231 . 1 1 20 20 LEU C C 13 177.190 0.013 . 1 . . . . 20 Leu C . 17275 1 232 . 1 1 20 20 LEU CA C 13 57.399 0.038 . 1 . . . . 20 Leu CA . 17275 1 233 . 1 1 20 20 LEU CB C 13 41.860 0.057 . 1 . . . . 20 Leu CB . 17275 1 234 . 1 1 20 20 LEU CD1 C 13 25.911 0.019 . 2 . . . . 20 Leu CD1 . 17275 1 235 . 1 1 20 20 LEU CD2 C 13 23.034 0.016 . 2 . . . . 20 Leu CD2 . 17275 1 236 . 1 1 20 20 LEU CG C 13 26.325 0.039 . 1 . . . . 20 Leu CG . 17275 1 237 . 1 1 20 20 LEU N N 15 118.763 0.047 . 1 . . . . 20 Leu N . 17275 1 238 . 1 1 21 21 ALA H H 1 6.807 0.008 . 1 . . . . 21 Ala H . 17275 1 239 . 1 1 21 21 ALA HA H 1 4.162 0.010 . 1 . . . . 21 Ala HA . 17275 1 240 . 1 1 21 21 ALA HB1 H 1 1.435 0.006 . 1 . . . . 21 Ala HB1 . 17275 1 241 . 1 1 21 21 ALA HB2 H 1 1.435 0.006 . 1 . . . . 21 Ala HB2 . 17275 1 242 . 1 1 21 21 ALA HB3 H 1 1.435 0.006 . 1 . . . . 21 Ala HB3 . 17275 1 243 . 1 1 21 21 ALA C C 13 179.530 0.009 . 1 . . . . 21 Ala C . 17275 1 244 . 1 1 21 21 ALA CA C 13 53.527 0.053 . 1 . . . . 21 Ala CA . 17275 1 245 . 1 1 21 21 ALA CB C 13 19.910 0.007 . 1 . . . . 21 Ala CB . 17275 1 246 . 1 1 21 21 ALA N N 15 114.733 0.047 . 1 . . . . 21 Ala N . 17275 1 247 . 1 1 22 22 LYS H H 1 8.139 0.004 . 1 . . . . 22 Lys H . 17275 1 248 . 1 1 22 22 LYS HA H 1 4.222 0.009 . 1 . . . . 22 Lys HA . 17275 1 249 . 1 1 22 22 LYS HB2 H 1 1.741 0.013 . 2 . . . . 22 Lys HB2 . 17275 1 250 . 1 1 22 22 LYS HB3 H 1 1.455 0.010 . 2 . . . . 22 Lys HB3 . 17275 1 251 . 1 1 22 22 LYS HD2 H 1 1.756 0.000 . 1 . . . . 22 Lys HD2 . 17275 1 252 . 1 1 22 22 LYS HD3 H 1 1.756 0.000 . 1 . . . . 22 Lys HD3 . 17275 1 253 . 1 1 22 22 LYS HE2 H 1 3.009 0.004 . 1 . . . . 22 Lys HE2 . 17275 1 254 . 1 1 22 22 LYS HE3 H 1 3.009 0.004 . 1 . . . . 22 Lys HE3 . 17275 1 255 . 1 1 22 22 LYS HG2 H 1 1.484 0.010 . 1 . . . . 22 Lys HG2 . 17275 1 256 . 1 1 22 22 LYS HG3 H 1 1.484 0.010 . 1 . . . . 22 Lys HG3 . 17275 1 257 . 1 1 22 22 LYS C C 13 176.734 0.011 . 1 . . . . 22 Lys C . 17275 1 258 . 1 1 22 22 LYS CA C 13 56.608 0.043 . 1 . . . . 22 Lys CA . 17275 1 259 . 1 1 22 22 LYS CB C 13 34.422 0.036 . 1 . . . . 22 Lys CB . 17275 1 260 . 1 1 22 22 LYS CD C 13 29.255 0.000 . 1 . . . . 22 Lys CD . 17275 1 261 . 1 1 22 22 LYS CE C 13 42.006 0.000 . 1 . . . . 22 Lys CE . 17275 1 262 . 1 1 22 22 LYS CG C 13 25.426 0.000 . 1 . . . . 22 Lys CG . 17275 1 263 . 1 1 22 22 LYS N N 15 112.597 0.035 . 1 . . . . 22 Lys N . 17275 1 264 . 1 1 23 23 VAL H H 1 8.087 0.005 . 1 . . . . 23 Val H . 17275 1 265 . 1 1 23 23 VAL HA H 1 4.245 0.011 . 1 . . . . 23 Val HA . 17275 1 266 . 1 1 23 23 VAL HB H 1 0.547 0.009 . 1 . . . . 23 Val HB . 17275 1 267 . 1 1 23 23 VAL HG11 H 1 0.750 0.009 . 2 . . . . 23 Val HG11 . 17275 1 268 . 1 1 23 23 VAL HG12 H 1 0.750 0.009 . 2 . . . . 23 Val HG12 . 17275 1 269 . 1 1 23 23 VAL HG13 H 1 0.750 0.009 . 2 . . . . 23 Val HG13 . 17275 1 270 . 1 1 23 23 VAL HG21 H 1 0.135 0.005 . 2 . . . . 23 Val HG21 . 17275 1 271 . 1 1 23 23 VAL HG22 H 1 0.135 0.005 . 2 . . . . 23 Val HG22 . 17275 1 272 . 1 1 23 23 VAL HG23 H 1 0.135 0.005 . 2 . . . . 23 Val HG23 . 17275 1 273 . 1 1 23 23 VAL C C 13 173.216 0.019 . 1 . . . . 23 Val C . 17275 1 274 . 1 1 23 23 VAL CA C 13 63.891 0.036 . 1 . . . . 23 Val CA . 17275 1 275 . 1 1 23 23 VAL CB C 13 32.028 0.049 . 1 . . . . 23 Val CB . 17275 1 276 . 1 1 23 23 VAL CG1 C 13 23.202 0.020 . 2 . . . . 23 Val CG1 . 17275 1 277 . 1 1 23 23 VAL CG2 C 13 21.737 0.005 . 2 . . . . 23 Val CG2 . 17275 1 278 . 1 1 23 23 VAL N N 15 118.201 0.044 . 1 . . . . 23 Val N . 17275 1 279 . 1 1 24 24 TYR H H 1 7.094 0.004 . 1 . . . . 24 Tyr H . 17275 1 280 . 1 1 24 24 TYR HA H 1 5.042 0.006 . 1 . . . . 24 Tyr HA . 17275 1 281 . 1 1 24 24 TYR HB2 H 1 2.889 0.012 . 2 . . . . 24 Tyr HB2 . 17275 1 282 . 1 1 24 24 TYR HB3 H 1 2.656 0.009 . 2 . . . . 24 Tyr HB3 . 17275 1 283 . 1 1 24 24 TYR HD1 H 1 7.359 0.006 . 3 . . . . 24 Tyr HD1 . 17275 1 284 . 1 1 24 24 TYR HD2 H 1 7.359 0.006 . 3 . . . . 24 Tyr HD2 . 17275 1 285 . 1 1 24 24 TYR HE1 H 1 7.176 0.008 . 3 . . . . 24 Tyr HE1 . 17275 1 286 . 1 1 24 24 TYR HE2 H 1 7.176 0.008 . 3 . . . . 24 Tyr HE2 . 17275 1 287 . 1 1 24 24 TYR C C 13 172.835 0.017 . 1 . . . . 24 Tyr C . 17275 1 288 . 1 1 24 24 TYR CA C 13 55.520 0.039 . 1 . . . . 24 Tyr CA . 17275 1 289 . 1 1 24 24 TYR CB C 13 41.034 0.035 . 1 . . . . 24 Tyr CB . 17275 1 290 . 1 1 24 24 TYR CD1 C 13 132.675 0.060 . 3 . . . . 24 Tyr CD1 . 17275 1 291 . 1 1 24 24 TYR CD2 C 13 132.675 0.060 . 3 . . . . 24 Tyr CD2 . 17275 1 292 . 1 1 24 24 TYR CE1 C 13 118.911 0.019 . 3 . . . . 24 Tyr CE1 . 17275 1 293 . 1 1 24 24 TYR CE2 C 13 118.911 0.019 . 3 . . . . 24 Tyr CE2 . 17275 1 294 . 1 1 24 24 TYR N N 15 119.252 0.054 . 1 . . . . 24 Tyr N . 17275 1 295 . 1 1 25 25 ASN H H 1 9.854 0.004 . 1 . . . . 25 Asn H . 17275 1 296 . 1 1 25 25 ASN HA H 1 4.662 0.008 . 1 . . . . 25 Asn HA . 17275 1 297 . 1 1 25 25 ASN HB2 H 1 3.074 0.009 . 2 . . . . 25 Asn HB2 . 17275 1 298 . 1 1 25 25 ASN HB3 H 1 2.872 0.008 . 2 . . . . 25 Asn HB3 . 17275 1 299 . 1 1 25 25 ASN HD21 H 1 7.116 0.012 . 1 . . . . 25 Asn HD21 . 17275 1 300 . 1 1 25 25 ASN HD22 H 1 7.666 0.010 . 1 . . . . 25 Asn HD22 . 17275 1 301 . 1 1 25 25 ASN C C 13 174.669 0.000 . 1 . . . . 25 Asn C . 17275 1 302 . 1 1 25 25 ASN CA C 13 50.710 0.044 . 1 . . . . 25 Asn CA . 17275 1 303 . 1 1 25 25 ASN CB C 13 36.000 0.008 . 1 . . . . 25 Asn CB . 17275 1 304 . 1 1 25 25 ASN N N 15 127.668 0.068 . 1 . . . . 25 Asn N . 17275 1 305 . 1 1 25 25 ASN ND2 N 15 112.940 0.064 . 1 . . . . 25 Asn ND2 . 17275 1 306 . 1 1 26 26 PHE H H 1 6.369 0.004 . 1 . . . . 26 Phe H . 17275 1 307 . 1 1 26 26 PHE HA H 1 3.675 0.009 . 1 . . . . 26 Phe HA . 17275 1 308 . 1 1 26 26 PHE HB2 H 1 3.277 0.007 . 2 . . . . 26 Phe HB2 . 17275 1 309 . 1 1 26 26 PHE HB3 H 1 2.526 0.003 . 2 . . . . 26 Phe HB3 . 17275 1 310 . 1 1 26 26 PHE HD1 H 1 7.108 0.008 . 3 . . . . 26 Phe HD1 . 17275 1 311 . 1 1 26 26 PHE HD2 H 1 7.108 0.008 . 3 . . . . 26 Phe HD2 . 17275 1 312 . 1 1 26 26 PHE HE1 H 1 7.352 0.012 . 3 . . . . 26 Phe HE1 . 17275 1 313 . 1 1 26 26 PHE HE2 H 1 7.352 0.012 . 3 . . . . 26 Phe HE2 . 17275 1 314 . 1 1 26 26 PHE HZ H 1 7.108 0.007 . 1 . . . . 26 Phe HZ . 17275 1 315 . 1 1 26 26 PHE C C 13 175.512 0.023 . 1 . . . . 26 Phe C . 17275 1 316 . 1 1 26 26 PHE CA C 13 56.705 0.042 . 1 . . . . 26 Phe CA . 17275 1 317 . 1 1 26 26 PHE CB C 13 36.901 0.011 . 1 . . . . 26 Phe CB . 17275 1 318 . 1 1 26 26 PHE CD1 C 13 132.648 0.000 . 3 . . . . 26 Phe CD1 . 17275 1 319 . 1 1 26 26 PHE CD2 C 13 132.648 0.000 . 3 . . . . 26 Phe CD2 . 17275 1 320 . 1 1 26 26 PHE CE1 C 13 132.672 0.056 . 3 . . . . 26 Phe CE1 . 17275 1 321 . 1 1 26 26 PHE CE2 C 13 132.672 0.056 . 3 . . . . 26 Phe CE2 . 17275 1 322 . 1 1 26 26 PHE CZ C 13 128.978 0.044 . 1 . . . . 26 Phe CZ . 17275 1 323 . 1 1 26 26 PHE N N 15 119.426 0.043 . 1 . . . . 26 Phe N . 17275 1 324 . 1 1 27 27 GLU H H 1 6.871 0.005 . 1 . . . . 27 Glu H . 17275 1 325 . 1 1 27 27 GLU HA H 1 4.126 0.009 . 1 . . . . 27 Glu HA . 17275 1 326 . 1 1 27 27 GLU HB2 H 1 1.859 0.008 . 1 . . . . 27 Glu HB2 . 17275 1 327 . 1 1 27 27 GLU HB3 H 1 1.858 0.008 . 1 . . . . 27 Glu HB3 . 17275 1 328 . 1 1 27 27 GLU HG2 H 1 2.018 0.003 . 2 . . . . 27 Glu HG2 . 17275 1 329 . 1 1 27 27 GLU HG3 H 1 1.849 0.007 . 2 . . . . 27 Glu HG3 . 17275 1 330 . 1 1 27 27 GLU C C 13 177.872 0.008 . 1 . . . . 27 Glu C . 17275 1 331 . 1 1 27 27 GLU CA C 13 58.388 0.053 . 1 . . . . 27 Glu CA . 17275 1 332 . 1 1 27 27 GLU CB C 13 29.105 0.021 . 1 . . . . 27 Glu CB . 17275 1 333 . 1 1 27 27 GLU CG C 13 37.120 0.024 . 1 . . . . 27 Glu CG . 17275 1 334 . 1 1 27 27 GLU N N 15 120.303 0.055 . 1 . . . . 27 Glu N . 17275 1 335 . 1 1 28 28 LYS H H 1 7.139 0.006 . 1 . . . . 28 Lys H . 17275 1 336 . 1 1 28 28 LYS HA H 1 4.132 0.007 . 1 . . . . 28 Lys HA . 17275 1 337 . 1 1 28 28 LYS HB2 H 1 1.581 0.010 . 1 . . . . 28 Lys HB2 . 17275 1 338 . 1 1 28 28 LYS HB3 H 1 1.581 0.010 . 1 . . . . 28 Lys HB3 . 17275 1 339 . 1 1 28 28 LYS HD2 H 1 1.635 0.004 . 1 . . . . 28 Lys HD2 . 17275 1 340 . 1 1 28 28 LYS HD3 H 1 1.635 0.004 . 1 . . . . 28 Lys HD3 . 17275 1 341 . 1 1 28 28 LYS HE2 H 1 2.973 0.004 . 1 . . . . 28 Lys HE2 . 17275 1 342 . 1 1 28 28 LYS HE3 H 1 2.973 0.004 . 1 . . . . 28 Lys HE3 . 17275 1 343 . 1 1 28 28 LYS HG2 H 1 1.423 0.005 . 2 . . . . 28 Lys HG2 . 17275 1 344 . 1 1 28 28 LYS HG3 H 1 1.373 0.004 . 2 . . . . 28 Lys HG3 . 17275 1 345 . 1 1 28 28 LYS C C 13 176.281 0.013 . 1 . . . . 28 Lys C . 17275 1 346 . 1 1 28 28 LYS CA C 13 57.136 0.056 . 1 . . . . 28 Lys CA . 17275 1 347 . 1 1 28 28 LYS CB C 13 34.302 0.022 . 1 . . . . 28 Lys CB . 17275 1 348 . 1 1 28 28 LYS CD C 13 29.119 0.000 . 1 . . . . 28 Lys CD . 17275 1 349 . 1 1 28 28 LYS CE C 13 42.028 0.000 . 1 . . . . 28 Lys CE . 17275 1 350 . 1 1 28 28 LYS CG C 13 25.088 0.000 . 1 . . . . 28 Lys CG . 17275 1 351 . 1 1 28 28 LYS N N 15 118.675 0.040 . 1 . . . . 28 Lys N . 17275 1 352 . 1 1 29 29 ASN H H 1 7.847 0.007 . 1 . . . . 29 Asn H . 17275 1 353 . 1 1 29 29 ASN HA H 1 5.452 0.003 . 1 . . . . 29 Asn HA . 17275 1 354 . 1 1 29 29 ASN HB2 H 1 2.890 0.007 . 2 . . . . 29 Asn HB2 . 17275 1 355 . 1 1 29 29 ASN HB3 H 1 3.250 0.006 . 2 . . . . 29 Asn HB3 . 17275 1 356 . 1 1 29 29 ASN HD21 H 1 7.677 0.004 . 1 . . . . 29 Asn HD21 . 17275 1 357 . 1 1 29 29 ASN HD22 H 1 7.296 0.004 . 1 . . . . 29 Asn HD22 . 17275 1 358 . 1 1 29 29 ASN CA C 13 51.493 0.020 . 1 . . . . 29 Asn CA . 17275 1 359 . 1 1 29 29 ASN CB C 13 40.031 0.035 . 1 . . . . 29 Asn CB . 17275 1 360 . 1 1 29 29 ASN N N 15 113.786 0.039 . 1 . . . . 29 Asn N . 17275 1 361 . 1 1 29 29 ASN ND2 N 15 116.224 0.045 . 1 . . . . 29 Asn ND2 . 17275 1 362 . 1 1 30 30 PRO HA H 1 4.570 0.008 . 1 . . . . 30 Pro HA . 17275 1 363 . 1 1 30 30 PRO HB2 H 1 2.538 0.007 . 2 . . . . 30 Pro HB2 . 17275 1 364 . 1 1 30 30 PRO HB3 H 1 2.057 0.006 . 2 . . . . 30 Pro HB3 . 17275 1 365 . 1 1 30 30 PRO HD2 H 1 3.743 0.006 . 2 . . . . 30 Pro HD2 . 17275 1 366 . 1 1 30 30 PRO HD3 H 1 3.225 0.007 . 2 . . . . 30 Pro HD3 . 17275 1 367 . 1 1 30 30 PRO HG2 H 1 2.086 0.003 . 2 . . . . 30 Pro HG2 . 17275 1 368 . 1 1 30 30 PRO HG3 H 1 1.985 0.004 . 2 . . . . 30 Pro HG3 . 17275 1 369 . 1 1 30 30 PRO C C 13 178.135 0.003 . 1 . . . . 30 Pro C . 17275 1 370 . 1 1 30 30 PRO CA C 13 65.264 0.046 . 1 . . . . 30 Pro CA . 17275 1 371 . 1 1 30 30 PRO CB C 13 32.362 0.043 . 1 . . . . 30 Pro CB . 17275 1 372 . 1 1 30 30 PRO CD C 13 50.765 0.021 . 1 . . . . 30 Pro CD . 17275 1 373 . 1 1 30 30 PRO CG C 13 27.339 0.028 . 1 . . . . 30 Pro CG . 17275 1 374 . 1 1 31 31 GLU H H 1 8.769 0.007 . 1 . . . . 31 Glu H . 17275 1 375 . 1 1 31 31 GLU HA H 1 4.328 0.009 . 1 . . . . 31 Glu HA . 17275 1 376 . 1 1 31 31 GLU HB2 H 1 2.028 0.001 . 1 . . . . 31 Glu HB2 . 17275 1 377 . 1 1 31 31 GLU HB3 H 1 2.028 0.001 . 1 . . . . 31 Glu HB3 . 17275 1 378 . 1 1 31 31 GLU HG2 H 1 2.275 0.003 . 1 . . . . 31 Glu HG2 . 17275 1 379 . 1 1 31 31 GLU HG3 H 1 2.280 0.009 . 1 . . . . 31 Glu HG3 . 17275 1 380 . 1 1 31 31 GLU C C 13 176.233 0.012 . 1 . . . . 31 Glu C . 17275 1 381 . 1 1 31 31 GLU CA C 13 57.637 0.055 . 1 . . . . 31 Glu CA . 17275 1 382 . 1 1 31 31 GLU CB C 13 30.208 0.004 . 1 . . . . 31 Glu CB . 17275 1 383 . 1 1 31 31 GLU CG C 13 36.393 0.000 . 1 . . . . 31 Glu CG . 17275 1 384 . 1 1 31 31 GLU N N 15 116.254 0.050 . 1 . . . . 31 Glu N . 17275 1 385 . 1 1 32 32 GLU H H 1 7.301 0.005 . 1 . . . . 32 Glu H . 17275 1 386 . 1 1 32 32 GLU HA H 1 4.607 0.010 . 1 . . . . 32 Glu HA . 17275 1 387 . 1 1 32 32 GLU HB2 H 1 1.989 0.009 . 2 . . . . 32 Glu HB2 . 17275 1 388 . 1 1 32 32 GLU HB3 H 1 1.985 0.014 . 2 . . . . 32 Glu HB3 . 17275 1 389 . 1 1 32 32 GLU HG2 H 1 2.249 0.007 . 1 . . . . 32 Glu HG2 . 17275 1 390 . 1 1 32 32 GLU HG3 H 1 2.249 0.007 . 1 . . . . 32 Glu HG3 . 17275 1 391 . 1 1 32 32 GLU C C 13 173.967 0.010 . 1 . . . . 32 Glu C . 17275 1 392 . 1 1 32 32 GLU CA C 13 54.988 0.053 . 1 . . . . 32 Glu CA . 17275 1 393 . 1 1 32 32 GLU CB C 13 32.818 0.033 . 1 . . . . 32 Glu CB . 17275 1 394 . 1 1 32 32 GLU CG C 13 35.885 0.000 . 1 . . . . 32 Glu CG . 17275 1 395 . 1 1 32 32 GLU N N 15 117.597 0.073 . 1 . . . . 32 Glu N . 17275 1 396 . 1 1 33 33 TRP H H 1 8.515 0.006 . 1 . . . . 33 Trp H . 17275 1 397 . 1 1 33 33 TRP HA H 1 3.693 0.007 . 1 . . . . 33 Trp HA . 17275 1 398 . 1 1 33 33 TRP HB2 H 1 2.961 0.005 . 2 . . . . 33 Trp HB2 . 17275 1 399 . 1 1 33 33 TRP HB3 H 1 3.250 0.008 . 2 . . . . 33 Trp HB3 . 17275 1 400 . 1 1 33 33 TRP HD1 H 1 7.052 0.005 . 1 . . . . 33 Trp HD1 . 17275 1 401 . 1 1 33 33 TRP HE1 H 1 10.222 0.005 . 1 . . . . 33 Trp HE1 . 17275 1 402 . 1 1 33 33 TRP HE3 H 1 7.033 0.008 . 1 . . . . 33 Trp HE3 . 17275 1 403 . 1 1 33 33 TRP HH2 H 1 6.989 0.006 . 1 . . . . 33 Trp HH2 . 17275 1 404 . 1 1 33 33 TRP HZ2 H 1 7.285 0.006 . 1 . . . . 33 Trp HZ2 . 17275 1 405 . 1 1 33 33 TRP HZ3 H 1 7.092 0.005 . 1 . . . . 33 Trp HZ3 . 17275 1 406 . 1 1 33 33 TRP C C 13 175.487 0.000 . 1 . . . . 33 Trp C . 17275 1 407 . 1 1 33 33 TRP CA C 13 58.327 0.035 . 1 . . . . 33 Trp CA . 17275 1 408 . 1 1 33 33 TRP CB C 13 29.152 0.052 . 1 . . . . 33 Trp CB . 17275 1 409 . 1 1 33 33 TRP CD1 C 13 127.235 0.021 . 1 . . . . 33 Trp CD1 . 17275 1 410 . 1 1 33 33 TRP CE3 C 13 121.357 0.089 . 1 . . . . 33 Trp CE3 . 17275 1 411 . 1 1 33 33 TRP CH2 C 13 122.724 0.105 . 1 . . . . 33 Trp CH2 . 17275 1 412 . 1 1 33 33 TRP CZ2 C 13 113.239 0.053 . 1 . . . . 33 Trp CZ2 . 17275 1 413 . 1 1 33 33 TRP CZ3 C 13 121.807 0.000 . 1 . . . . 33 Trp CZ3 . 17275 1 414 . 1 1 33 33 TRP N N 15 123.347 0.057 . 1 . . . . 33 Trp N . 17275 1 415 . 1 1 33 33 TRP NE1 N 15 128.581 0.065 . 1 . . . . 33 Trp NE1 . 17275 1 416 . 1 1 34 34 LYS HA H 1 4.185 0.010 . 1 . . . . 34 Lys HA . 17275 1 417 . 1 1 34 34 LYS HB2 H 1 1.748 0.010 . 1 . . . . 34 Lys HB2 . 17275 1 418 . 1 1 34 34 LYS HB3 H 1 1.748 0.010 . 1 . . . . 34 Lys HB3 . 17275 1 419 . 1 1 34 34 LYS HD2 H 1 1.612 0.004 . 1 . . . . 34 Lys HD2 . 17275 1 420 . 1 1 34 34 LYS HD3 H 1 1.612 0.004 . 1 . . . . 34 Lys HD3 . 17275 1 421 . 1 1 34 34 LYS HE2 H 1 2.960 0.009 . 1 . . . . 34 Lys HE2 . 17275 1 422 . 1 1 34 34 LYS HE3 H 1 2.960 0.009 . 1 . . . . 34 Lys HE3 . 17275 1 423 . 1 1 34 34 LYS HG2 H 1 1.313 0.006 . 2 . . . . 34 Lys HG2 . 17275 1 424 . 1 1 34 34 LYS HG3 H 1 1.178 0.005 . 2 . . . . 34 Lys HG3 . 17275 1 425 . 1 1 34 34 LYS C C 13 174.002 0.000 . 1 . . . . 34 Lys C . 17275 1 426 . 1 1 34 34 LYS CA C 13 55.717 0.044 . 1 . . . . 34 Lys CA . 17275 1 427 . 1 1 34 34 LYS CB C 13 34.330 0.053 . 1 . . . . 34 Lys CB . 17275 1 428 . 1 1 34 34 LYS CD C 13 28.928 0.000 . 1 . . . . 34 Lys CD . 17275 1 429 . 1 1 34 34 LYS CE C 13 41.873 0.000 . 1 . . . . 34 Lys CE . 17275 1 430 . 1 1 34 34 LYS CG C 13 24.741 0.021 . 1 . . . . 34 Lys CG . 17275 1 431 . 1 1 35 35 TYR H H 1 8.937 0.007 . 1 . . . . 35 Tyr H . 17275 1 432 . 1 1 35 35 TYR HA H 1 5.036 0.011 . 1 . . . . 35 Tyr HA . 17275 1 433 . 1 1 35 35 TYR HB2 H 1 3.345 0.008 . 2 . . . . 35 Tyr HB2 . 17275 1 434 . 1 1 35 35 TYR HB3 H 1 3.132 0.007 . 2 . . . . 35 Tyr HB3 . 17275 1 435 . 1 1 35 35 TYR HD1 H 1 7.106 0.005 . 3 . . . . 35 Tyr HD1 . 17275 1 436 . 1 1 35 35 TYR HD2 H 1 7.106 0.005 . 3 . . . . 35 Tyr HD2 . 17275 1 437 . 1 1 35 35 TYR HE1 H 1 6.902 0.011 . 3 . . . . 35 Tyr HE1 . 17275 1 438 . 1 1 35 35 TYR HE2 H 1 6.902 0.011 . 3 . . . . 35 Tyr HE2 . 17275 1 439 . 1 1 35 35 TYR C C 13 177.754 0.022 . 1 . . . . 35 Tyr C . 17275 1 440 . 1 1 35 35 TYR CA C 13 55.506 0.028 . 1 . . . . 35 Tyr CA . 17275 1 441 . 1 1 35 35 TYR CB C 13 39.085 0.019 . 1 . . . . 35 Tyr CB . 17275 1 442 . 1 1 35 35 TYR CD1 C 13 130.923 0.037 . 3 . . . . 35 Tyr CD1 . 17275 1 443 . 1 1 35 35 TYR CD2 C 13 130.923 0.037 . 3 . . . . 35 Tyr CD2 . 17275 1 444 . 1 1 35 35 TYR CE1 C 13 118.291 0.083 . 3 . . . . 35 Tyr CE1 . 17275 1 445 . 1 1 35 35 TYR CE2 C 13 118.291 0.083 . 3 . . . . 35 Tyr CE2 . 17275 1 446 . 1 1 35 35 TYR N N 15 127.992 0.039 . 1 . . . . 35 Tyr N . 17275 1 447 . 1 1 36 36 GLU H H 1 8.396 0.005 . 1 . . . . 36 Glu H . 17275 1 448 . 1 1 36 36 GLU HA H 1 4.111 0.008 . 1 . . . . 36 Glu HA . 17275 1 449 . 1 1 36 36 GLU HB2 H 1 0.770 0.003 . 2 . . . . 36 Glu HB2 . 17275 1 450 . 1 1 36 36 GLU HB3 H 1 2.101 0.013 . 2 . . . . 36 Glu HB3 . 17275 1 451 . 1 1 36 36 GLU HG2 H 1 2.125 0.009 . 1 . . . . 36 Glu HG2 . 17275 1 452 . 1 1 36 36 GLU HG3 H 1 2.125 0.009 . 1 . . . . 36 Glu HG3 . 17275 1 453 . 1 1 36 36 GLU C C 13 177.162 0.000 . 1 . . . . 36 Glu C . 17275 1 454 . 1 1 36 36 GLU CA C 13 55.756 0.023 . 1 . . . . 36 Glu CA . 17275 1 455 . 1 1 36 36 GLU CB C 13 30.465 0.039 . 1 . . . . 36 Glu CB . 17275 1 456 . 1 1 36 36 GLU CG C 13 33.526 0.030 . 1 . . . . 36 Glu CG . 17275 1 457 . 1 1 36 36 GLU N N 15 126.715 0.042 . 1 . . . . 36 Glu N . 17275 1 458 . 1 1 37 37 GLY HA2 H 1 3.339 0.009 . 2 . . . . 37 Gly HA2 . 17275 1 459 . 1 1 37 37 GLY HA3 H 1 4.140 0.010 . 2 . . . . 37 Gly HA3 . 17275 1 460 . 1 1 37 37 GLY C C 13 171.854 0.005 . 1 . . . . 37 Gly C . 17275 1 461 . 1 1 37 37 GLY CA C 13 45.527 0.058 . 1 . . . . 37 Gly CA . 17275 1 462 . 1 1 38 38 ASP H H 1 8.433 0.004 . 1 . . . . 38 Asp H . 17275 1 463 . 1 1 38 38 ASP HA H 1 4.739 0.009 . 1 . . . . 38 Asp HA . 17275 1 464 . 1 1 38 38 ASP HB2 H 1 2.887 0.012 . 2 . . . . 38 Asp HB2 . 17275 1 465 . 1 1 38 38 ASP HB3 H 1 2.623 0.009 . 2 . . . . 38 Asp HB3 . 17275 1 466 . 1 1 38 38 ASP C C 13 175.592 0.004 . 1 . . . . 38 Asp C . 17275 1 467 . 1 1 38 38 ASP CA C 13 53.601 0.041 . 1 . . . . 38 Asp CA . 17275 1 468 . 1 1 38 38 ASP CB C 13 41.935 0.044 . 1 . . . . 38 Asp CB . 17275 1 469 . 1 1 38 38 ASP N N 15 114.588 0.023 . 1 . . . . 38 Asp N . 17275 1 470 . 1 1 39 39 LYS H H 1 7.787 0.013 . 1 . . . . 39 Lys H . 17275 1 471 . 1 1 39 39 LYS HA H 1 4.998 0.008 . 1 . . . . 39 Lys HA . 17275 1 472 . 1 1 39 39 LYS HB2 H 1 1.952 0.006 . 2 . . . . 39 Lys HB2 . 17275 1 473 . 1 1 39 39 LYS HB3 H 1 1.653 0.005 . 2 . . . . 39 Lys HB3 . 17275 1 474 . 1 1 39 39 LYS HD2 H 1 1.427 0.014 . 2 . . . . 39 Lys HD2 . 17275 1 475 . 1 1 39 39 LYS HD3 H 1 1.363 0.008 . 2 . . . . 39 Lys HD3 . 17275 1 476 . 1 1 39 39 LYS HE2 H 1 2.931 0.005 . 1 . . . . 39 Lys HE2 . 17275 1 477 . 1 1 39 39 LYS HE3 H 1 2.931 0.005 . 1 . . . . 39 Lys HE3 . 17275 1 478 . 1 1 39 39 LYS HG2 H 1 1.478 0.002 . 1 . . . . 39 Lys HG2 . 17275 1 479 . 1 1 39 39 LYS HG3 H 1 1.478 0.002 . 1 . . . . 39 Lys HG3 . 17275 1 480 . 1 1 39 39 LYS C C 13 172.297 0.000 . 1 . . . . 39 Lys C . 17275 1 481 . 1 1 39 39 LYS CA C 13 54.152 0.046 . 1 . . . . 39 Lys CA . 17275 1 482 . 1 1 39 39 LYS CB C 13 33.489 0.038 . 1 . . . . 39 Lys CB . 17275 1 483 . 1 1 39 39 LYS CD C 13 28.944 0.015 . 1 . . . . 39 Lys CD . 17275 1 484 . 1 1 39 39 LYS CE C 13 41.441 0.054 . 1 . . . . 39 Lys CE . 17275 1 485 . 1 1 39 39 LYS CG C 13 23.599 0.008 . 1 . . . . 39 Lys CG . 17275 1 486 . 1 1 39 39 LYS N N 15 119.409 0.065 . 1 . . . . 39 Lys N . 17275 1 487 . 1 1 40 40 PRO HA H 1 4.518 0.010 . 1 . . . . 40 Pro HA . 17275 1 488 . 1 1 40 40 PRO HB2 H 1 2.622 0.006 . 2 . . . . 40 Pro HB2 . 17275 1 489 . 1 1 40 40 PRO HB3 H 1 1.887 0.007 . 2 . . . . 40 Pro HB3 . 17275 1 490 . 1 1 40 40 PRO HD2 H 1 4.154 0.005 . 2 . . . . 40 Pro HD2 . 17275 1 491 . 1 1 40 40 PRO HD3 H 1 3.972 0.005 . 2 . . . . 40 Pro HD3 . 17275 1 492 . 1 1 40 40 PRO HG2 H 1 2.097 0.012 . 2 . . . . 40 Pro HG2 . 17275 1 493 . 1 1 40 40 PRO HG3 H 1 2.095 0.013 . 2 . . . . 40 Pro HG3 . 17275 1 494 . 1 1 40 40 PRO C C 13 173.640 0.014 . 1 . . . . 40 Pro C . 17275 1 495 . 1 1 40 40 PRO CA C 13 63.759 0.027 . 1 . . . . 40 Pro CA . 17275 1 496 . 1 1 40 40 PRO CB C 13 34.202 0.048 . 1 . . . . 40 Pro CB . 17275 1 497 . 1 1 40 40 PRO CD C 13 50.337 0.026 . 1 . . . . 40 Pro CD . 17275 1 498 . 1 1 40 40 PRO CG C 13 28.056 0.064 . 1 . . . . 40 Pro CG . 17275 1 499 . 1 1 41 41 ALA H H 1 8.621 0.007 . 1 . . . . 41 Ala H . 17275 1 500 . 1 1 41 41 ALA HA H 1 6.020 0.010 . 1 . . . . 41 Ala HA . 17275 1 501 . 1 1 41 41 ALA HB1 H 1 1.533 0.010 . 1 . . . . 41 Ala HB1 . 17275 1 502 . 1 1 41 41 ALA HB2 H 1 1.533 0.010 . 1 . . . . 41 Ala HB2 . 17275 1 503 . 1 1 41 41 ALA HB3 H 1 1.533 0.010 . 1 . . . . 41 Ala HB3 . 17275 1 504 . 1 1 41 41 ALA C C 13 176.036 0.007 . 1 . . . . 41 Ala C . 17275 1 505 . 1 1 41 41 ALA CA C 13 50.148 0.030 . 1 . . . . 41 Ala CA . 17275 1 506 . 1 1 41 41 ALA CB C 13 25.045 0.064 . 1 . . . . 41 Ala CB . 17275 1 507 . 1 1 41 41 ALA N N 15 119.286 0.114 . 1 . . . . 41 Ala N . 17275 1 508 . 1 1 42 42 ILE H H 1 8.224 0.005 . 1 . . . . 42 Ile H . 17275 1 509 . 1 1 42 42 ILE HA H 1 4.965 0.013 . 1 . . . . 42 Ile HA . 17275 1 510 . 1 1 42 42 ILE HB H 1 1.423 0.010 . 1 . . . . 42 Ile HB . 17275 1 511 . 1 1 42 42 ILE HD11 H 1 0.704 0.005 . 1 . . . . 42 Ile HD11 . 17275 1 512 . 1 1 42 42 ILE HD12 H 1 0.704 0.005 . 1 . . . . 42 Ile HD12 . 17275 1 513 . 1 1 42 42 ILE HD13 H 1 0.704 0.005 . 1 . . . . 42 Ile HD13 . 17275 1 514 . 1 1 42 42 ILE HG12 H 1 1.580 0.007 . 2 . . . . 42 Ile HG12 . 17275 1 515 . 1 1 42 42 ILE HG13 H 1 0.842 0.006 . 2 . . . . 42 Ile HG13 . 17275 1 516 . 1 1 42 42 ILE HG21 H 1 0.494 0.009 . 1 . . . . 42 Ile HG21 . 17275 1 517 . 1 1 42 42 ILE HG22 H 1 0.494 0.009 . 1 . . . . 42 Ile HG22 . 17275 1 518 . 1 1 42 42 ILE HG23 H 1 0.494 0.009 . 1 . . . . 42 Ile HG23 . 17275 1 519 . 1 1 42 42 ILE C C 13 175.411 0.010 . 1 . . . . 42 Ile C . 17275 1 520 . 1 1 42 42 ILE CA C 13 59.671 0.024 . 1 . . . . 42 Ile CA . 17275 1 521 . 1 1 42 42 ILE CB C 13 42.294 0.049 . 1 . . . . 42 Ile CB . 17275 1 522 . 1 1 42 42 ILE CD1 C 13 13.737 0.012 . 1 . . . . 42 Ile CD1 . 17275 1 523 . 1 1 42 42 ILE CG1 C 13 28.218 0.019 . 1 . . . . 42 Ile CG1 . 17275 1 524 . 1 1 42 42 ILE CG2 C 13 17.077 0.008 . 1 . . . . 42 Ile CG2 . 17275 1 525 . 1 1 42 42 ILE N N 15 118.154 0.045 . 1 . . . . 42 Ile N . 17275 1 526 . 1 1 43 43 VAL H H 1 9.236 0.008 . 1 . . . . 43 Val H . 17275 1 527 . 1 1 43 43 VAL HA H 1 4.645 0.009 . 1 . . . . 43 Val HA . 17275 1 528 . 1 1 43 43 VAL HB H 1 2.098 0.006 . 1 . . . . 43 Val HB . 17275 1 529 . 1 1 43 43 VAL HG11 H 1 1.005 0.007 . 2 . . . . 43 Val HG11 . 17275 1 530 . 1 1 43 43 VAL HG12 H 1 1.005 0.007 . 2 . . . . 43 Val HG12 . 17275 1 531 . 1 1 43 43 VAL HG13 H 1 1.005 0.007 . 2 . . . . 43 Val HG13 . 17275 1 532 . 1 1 43 43 VAL HG21 H 1 0.245 0.004 . 2 . . . . 43 Val HG21 . 17275 1 533 . 1 1 43 43 VAL HG22 H 1 0.245 0.004 . 2 . . . . 43 Val HG22 . 17275 1 534 . 1 1 43 43 VAL HG23 H 1 0.245 0.004 . 2 . . . . 43 Val HG23 . 17275 1 535 . 1 1 43 43 VAL C C 13 173.775 0.023 . 1 . . . . 43 Val C . 17275 1 536 . 1 1 43 43 VAL CA C 13 60.882 0.037 . 1 . . . . 43 Val CA . 17275 1 537 . 1 1 43 43 VAL CB C 13 33.662 0.061 . 1 . . . . 43 Val CB . 17275 1 538 . 1 1 43 43 VAL CG1 C 13 21.316 0.028 . 2 . . . . 43 Val CG1 . 17275 1 539 . 1 1 43 43 VAL CG2 C 13 22.346 0.012 . 2 . . . . 43 Val CG2 . 17275 1 540 . 1 1 43 43 VAL N N 15 124.214 0.054 . 1 . . . . 43 Val N . 17275 1 541 . 1 1 44 44 ASP H H 1 9.005 0.005 . 1 . . . . 44 Asp H . 17275 1 542 . 1 1 44 44 ASP HA H 1 5.026 0.014 . 1 . . . . 44 Asp HA . 17275 1 543 . 1 1 44 44 ASP HB2 H 1 2.924 0.009 . 2 . . . . 44 Asp HB2 . 17275 1 544 . 1 1 44 44 ASP HB3 H 1 2.247 0.010 . 2 . . . . 44 Asp HB3 . 17275 1 545 . 1 1 44 44 ASP C C 13 174.519 0.000 . 1 . . . . 44 Asp C . 17275 1 546 . 1 1 44 44 ASP CA C 13 52.385 0.039 . 1 . . . . 44 Asp CA . 17275 1 547 . 1 1 44 44 ASP CB C 13 40.183 0.048 . 1 . . . . 44 Asp CB . 17275 1 548 . 1 1 44 44 ASP N N 15 126.112 0.044 . 1 . . . . 44 Asp N . 17275 1 549 . 1 1 45 45 PHE H H 1 9.329 0.009 . 1 . . . . 45 Phe H . 17275 1 550 . 1 1 45 45 PHE HA H 1 5.322 0.010 . 1 . . . . 45 Phe HA . 17275 1 551 . 1 1 45 45 PHE HB2 H 1 3.491 0.009 . 2 . . . . 45 Phe HB2 . 17275 1 552 . 1 1 45 45 PHE HB3 H 1 2.636 0.006 . 2 . . . . 45 Phe HB3 . 17275 1 553 . 1 1 45 45 PHE HD1 H 1 7.096 0.006 . 3 . . . . 45 Phe HD1 . 17275 1 554 . 1 1 45 45 PHE HD2 H 1 7.096 0.006 . 3 . . . . 45 Phe HD2 . 17275 1 555 . 1 1 45 45 PHE HE1 H 1 6.827 0.006 . 3 . . . . 45 Phe HE1 . 17275 1 556 . 1 1 45 45 PHE HE2 H 1 6.827 0.006 . 3 . . . . 45 Phe HE2 . 17275 1 557 . 1 1 45 45 PHE HZ H 1 6.462 0.003 . 1 . . . . 45 Phe HZ . 17275 1 558 . 1 1 45 45 PHE C C 13 173.849 0.014 . 1 . . . . 45 Phe C . 17275 1 559 . 1 1 45 45 PHE CA C 13 58.088 0.032 . 1 . . . . 45 Phe CA . 17275 1 560 . 1 1 45 45 PHE CB C 13 38.407 0.039 . 1 . . . . 45 Phe CB . 17275 1 561 . 1 1 45 45 PHE CD1 C 13 132.586 0.027 . 3 . . . . 45 Phe CD1 . 17275 1 562 . 1 1 45 45 PHE CD2 C 13 132.586 0.027 . 3 . . . . 45 Phe CD2 . 17275 1 563 . 1 1 45 45 PHE CE1 C 13 129.871 0.058 . 3 . . . . 45 Phe CE1 . 17275 1 564 . 1 1 45 45 PHE CE2 C 13 129.871 0.058 . 3 . . . . 45 Phe CE2 . 17275 1 565 . 1 1 45 45 PHE CZ C 13 128.627 0.060 . 1 . . . . 45 Phe CZ . 17275 1 566 . 1 1 45 45 PHE N N 15 127.228 0.059 . 1 . . . . 45 Phe N . 17275 1 567 . 1 1 46 46 TYR H H 1 8.960 0.007 . 1 . . . . 46 Tyr H . 17275 1 568 . 1 1 46 46 TYR HA H 1 5.334 0.009 . 1 . . . . 46 Tyr HA . 17275 1 569 . 1 1 46 46 TYR HB2 H 1 3.044 0.008 . 2 . . . . 46 Tyr HB2 . 17275 1 570 . 1 1 46 46 TYR HB3 H 1 2.915 0.012 . 2 . . . . 46 Tyr HB3 . 17275 1 571 . 1 1 46 46 TYR HD1 H 1 6.849 0.008 . 3 . . . . 46 Tyr HD1 . 17275 1 572 . 1 1 46 46 TYR HD2 H 1 6.849 0.008 . 3 . . . . 46 Tyr HD2 . 17275 1 573 . 1 1 46 46 TYR HE1 H 1 6.735 0.008 . 3 . . . . 46 Tyr HE1 . 17275 1 574 . 1 1 46 46 TYR HE2 H 1 6.735 0.008 . 3 . . . . 46 Tyr HE2 . 17275 1 575 . 1 1 46 46 TYR C C 13 172.898 0.012 . 1 . . . . 46 Tyr C . 17275 1 576 . 1 1 46 46 TYR CA C 13 55.291 0.028 . 1 . . . . 46 Tyr CA . 17275 1 577 . 1 1 46 46 TYR CB C 13 44.016 0.044 . 1 . . . . 46 Tyr CB . 17275 1 578 . 1 1 46 46 TYR CD1 C 13 133.671 0.037 . 3 . . . . 46 Tyr CD1 . 17275 1 579 . 1 1 46 46 TYR CD2 C 13 133.671 0.037 . 3 . . . . 46 Tyr CD2 . 17275 1 580 . 1 1 46 46 TYR CE1 C 13 117.849 0.030 . 3 . . . . 46 Tyr CE1 . 17275 1 581 . 1 1 46 46 TYR CE2 C 13 117.849 0.030 . 3 . . . . 46 Tyr CE2 . 17275 1 582 . 1 1 46 46 TYR N N 15 121.652 0.066 . 1 . . . . 46 Tyr N . 17275 1 583 . 1 1 47 47 ALA H H 1 7.433 0.006 . 1 . . . . 47 Ala H . 17275 1 584 . 1 1 47 47 ALA HA H 1 4.266 0.010 . 1 . . . . 47 Ala HA . 17275 1 585 . 1 1 47 47 ALA HB1 H 1 0.841 0.007 . 1 . . . . 47 Ala HB1 . 17275 1 586 . 1 1 47 47 ALA HB2 H 1 0.841 0.007 . 1 . . . . 47 Ala HB2 . 17275 1 587 . 1 1 47 47 ALA HB3 H 1 0.841 0.007 . 1 . . . . 47 Ala HB3 . 17275 1 588 . 1 1 47 47 ALA C C 13 178.623 0.011 . 1 . . . . 47 Ala C . 17275 1 589 . 1 1 47 47 ALA CA C 13 52.534 0.040 . 1 . . . . 47 Ala CA . 17275 1 590 . 1 1 47 47 ALA CB C 13 22.539 0.048 . 1 . . . . 47 Ala CB . 17275 1 591 . 1 1 47 47 ALA N N 15 120.600 0.051 . 1 . . . . 47 Ala N . 17275 1 592 . 1 1 48 48 ASP H H 1 9.816 0.005 . 1 . . . . 48 Asp H . 17275 1 593 . 1 1 48 48 ASP HA H 1 4.463 0.008 . 1 . . . . 48 Asp HA . 17275 1 594 . 1 1 48 48 ASP HB2 H 1 2.769 0.006 . 1 . . . . 48 Asp HB2 . 17275 1 595 . 1 1 48 48 ASP HB3 H 1 2.769 0.006 . 1 . . . . 48 Asp HB3 . 17275 1 596 . 1 1 48 48 ASP C C 13 176.512 0.011 . 1 . . . . 48 Asp C . 17275 1 597 . 1 1 48 48 ASP CA C 13 57.258 0.044 . 1 . . . . 48 Asp CA . 17275 1 598 . 1 1 48 48 ASP CB C 13 41.475 0.014 . 1 . . . . 48 Asp CB . 17275 1 599 . 1 1 48 48 ASP N N 15 122.237 0.050 . 1 . . . . 48 Asp N . 17275 1 600 . 1 1 49 49 TRP H H 1 6.935 0.003 . 1 . . . . 49 Trp H . 17275 1 601 . 1 1 49 49 TRP HA H 1 4.534 0.011 . 1 . . . . 49 Trp HA . 17275 1 602 . 1 1 49 49 TRP HB2 H 1 3.668 0.006 . 2 . . . . 49 Trp HB2 . 17275 1 603 . 1 1 49 49 TRP HB3 H 1 3.242 0.007 . 2 . . . . 49 Trp HB3 . 17275 1 604 . 1 1 49 49 TRP HD1 H 1 7.476 0.005 . 1 . . . . 49 Trp HD1 . 17275 1 605 . 1 1 49 49 TRP HE1 H 1 10.653 0.005 . 1 . . . . 49 Trp HE1 . 17275 1 606 . 1 1 49 49 TRP HE3 H 1 7.508 0.008 . 1 . . . . 49 Trp HE3 . 17275 1 607 . 1 1 49 49 TRP HH2 H 1 7.317 0.003 . 1 . . . . 49 Trp HH2 . 17275 1 608 . 1 1 49 49 TRP HZ2 H 1 7.492 0.007 . 1 . . . . 49 Trp HZ2 . 17275 1 609 . 1 1 49 49 TRP HZ3 H 1 7.265 0.008 . 1 . . . . 49 Trp HZ3 . 17275 1 610 . 1 1 49 49 TRP C C 13 176.251 0.009 . 1 . . . . 49 Trp C . 17275 1 611 . 1 1 49 49 TRP CA C 13 55.371 0.052 . 1 . . . . 49 Trp CA . 17275 1 612 . 1 1 49 49 TRP CB C 13 29.221 0.028 . 1 . . . . 49 Trp CB . 17275 1 613 . 1 1 49 49 TRP CD1 C 13 128.284 0.021 . 1 . . . . 49 Trp CD1 . 17275 1 614 . 1 1 49 49 TRP CE3 C 13 121.405 0.097 . 1 . . . . 49 Trp CE3 . 17275 1 615 . 1 1 49 49 TRP CH2 C 13 125.139 0.031 . 1 . . . . 49 Trp CH2 . 17275 1 616 . 1 1 49 49 TRP CZ2 C 13 115.183 0.035 . 1 . . . . 49 Trp CZ2 . 17275 1 617 . 1 1 49 49 TRP CZ3 C 13 121.632 0.019 . 1 . . . . 49 Trp CZ3 . 17275 1 618 . 1 1 49 49 TRP N N 15 112.276 0.036 . 1 . . . . 49 Trp N . 17275 1 619 . 1 1 49 49 TRP NE1 N 15 132.245 0.017 . 1 . . . . 49 Trp NE1 . 17275 1 620 . 1 1 50 50 CYS H H 1 6.551 0.004 . 1 . . . . 50 Cys H . 17275 1 621 . 1 1 50 50 CYS HA H 1 4.318 0.004 . 1 . . . . 50 Cys HA . 17275 1 622 . 1 1 50 50 CYS HB2 H 1 2.369 0.008 . 2 . . . . 50 Cys HB2 . 17275 1 623 . 1 1 50 50 CYS HB3 H 1 1.181 0.013 . 2 . . . . 50 Cys HB3 . 17275 1 624 . 1 1 50 50 CYS C C 13 175.871 0.000 . 1 . . . . 50 Cys C . 17275 1 625 . 1 1 50 50 CYS CA C 13 58.889 0.029 . 1 . . . . 50 Cys CA . 17275 1 626 . 1 1 50 50 CYS CB C 13 27.234 0.043 . 1 . . . . 50 Cys CB . 17275 1 627 . 1 1 50 50 CYS N N 15 122.745 0.046 . 1 . . . . 50 Cys N . 17275 1 628 . 1 1 51 51 GLY HA2 H 1 4.327 0.009 . 2 . . . . 51 Gly HA2 . 17275 1 629 . 1 1 51 51 GLY HA3 H 1 3.959 0.006 . 2 . . . . 51 Gly HA3 . 17275 1 630 . 1 1 51 51 GLY CA C 13 49.153 0.017 . 1 . . . . 51 Gly CA . 17275 1 631 . 1 1 52 52 PRO HA H 1 4.462 0.012 . 1 . . . . 52 Pro HA . 17275 1 632 . 1 1 52 52 PRO HB2 H 1 2.514 0.005 . 2 . . . . 52 Pro HB2 . 17275 1 633 . 1 1 52 52 PRO HB3 H 1 1.864 0.008 . 2 . . . . 52 Pro HB3 . 17275 1 634 . 1 1 52 52 PRO HD2 H 1 4.664 0.003 . 2 . . . . 52 Pro HD2 . 17275 1 635 . 1 1 52 52 PRO HD3 H 1 3.727 0.011 . 2 . . . . 52 Pro HD3 . 17275 1 636 . 1 1 52 52 PRO HG2 H 1 2.303 0.004 . 2 . . . . 52 Pro HG2 . 17275 1 637 . 1 1 52 52 PRO HG3 H 1 2.114 0.009 . 2 . . . . 52 Pro HG3 . 17275 1 638 . 1 1 52 52 PRO C C 13 178.960 0.000 . 1 . . . . 52 Pro C . 17275 1 639 . 1 1 52 52 PRO CA C 13 65.841 0.028 . 1 . . . . 52 Pro CA . 17275 1 640 . 1 1 52 52 PRO CB C 13 32.556 0.025 . 1 . . . . 52 Pro CB . 17275 1 641 . 1 1 52 52 PRO CD C 13 51.285 0.050 . 1 . . . . 52 Pro CD . 17275 1 642 . 1 1 52 52 PRO CG C 13 28.015 0.015 . 1 . . . . 52 Pro CG . 17275 1 643 . 1 1 53 53 CYS H H 1 7.807 0.008 . 1 . . . . 53 Cys H . 17275 1 644 . 1 1 53 53 CYS HA H 1 4.134 0.011 . 1 . . . . 53 Cys HA . 17275 1 645 . 1 1 53 53 CYS HB2 H 1 3.610 0.005 . 2 . . . . 53 Cys HB2 . 17275 1 646 . 1 1 53 53 CYS HB3 H 1 3.165 0.005 . 2 . . . . 53 Cys HB3 . 17275 1 647 . 1 1 53 53 CYS C C 13 177.753 0.019 . 1 . . . . 53 Cys C . 17275 1 648 . 1 1 53 53 CYS CA C 13 63.844 0.074 . 1 . . . . 53 Cys CA . 17275 1 649 . 1 1 53 53 CYS CB C 13 28.115 0.025 . 1 . . . . 53 Cys CB . 17275 1 650 . 1 1 53 53 CYS N N 15 114.833 0.079 . 1 . . . . 53 Cys N . 17275 1 651 . 1 1 54 54 LYS H H 1 8.095 0.005 . 1 . . . . 54 Lys H . 17275 1 652 . 1 1 54 54 LYS HA H 1 4.128 0.010 . 1 . . . . 54 Lys HA . 17275 1 653 . 1 1 54 54 LYS HB2 H 1 2.152 0.012 . 2 . . . . 54 Lys HB2 . 17275 1 654 . 1 1 54 54 LYS HB3 H 1 1.958 0.013 . 2 . . . . 54 Lys HB3 . 17275 1 655 . 1 1 54 54 LYS HD2 H 1 1.678 0.000 . 1 . . . . 54 Lys HD2 . 17275 1 656 . 1 1 54 54 LYS HD3 H 1 1.678 0.000 . 1 . . . . 54 Lys HD3 . 17275 1 657 . 1 1 54 54 LYS HE2 H 1 3.056 0.004 . 1 . . . . 54 Lys HE2 . 17275 1 658 . 1 1 54 54 LYS HE3 H 1 3.056 0.004 . 1 . . . . 54 Lys HE3 . 17275 1 659 . 1 1 54 54 LYS HG2 H 1 1.605 0.023 . 2 . . . . 54 Lys HG2 . 17275 1 660 . 1 1 54 54 LYS HG3 H 1 1.559 0.014 . 2 . . . . 54 Lys HG3 . 17275 1 661 . 1 1 54 54 LYS C C 13 178.868 0.016 . 1 . . . . 54 Lys C . 17275 1 662 . 1 1 54 54 LYS CA C 13 58.878 0.057 . 1 . . . . 54 Lys CA . 17275 1 663 . 1 1 54 54 LYS CB C 13 31.968 0.036 . 1 . . . . 54 Lys CB . 17275 1 664 . 1 1 54 54 LYS CD C 13 28.923 0.000 . 1 . . . . 54 Lys CD . 17275 1 665 . 1 1 54 54 LYS CE C 13 42.091 0.000 . 1 . . . . 54 Lys CE . 17275 1 666 . 1 1 54 54 LYS CG C 13 25.438 0.000 . 1 . . . . 54 Lys CG . 17275 1 667 . 1 1 54 54 LYS N N 15 121.146 0.055 . 1 . . . . 54 Lys N . 17275 1 668 . 1 1 55 55 MET H H 1 7.603 0.007 . 1 . . . . 55 Met H . 17275 1 669 . 1 1 55 55 MET HA H 1 4.338 0.009 . 1 . . . . 55 Met HA . 17275 1 670 . 1 1 55 55 MET HB2 H 1 2.281 0.008 . 1 . . . . 55 Met HB2 . 17275 1 671 . 1 1 55 55 MET HB3 H 1 2.282 0.008 . 1 . . . . 55 Met HB3 . 17275 1 672 . 1 1 55 55 MET HE1 H 1 2.106 0.001 . 1 . . . . 55 Met HE1 . 17275 1 673 . 1 1 55 55 MET HE2 H 1 2.106 0.001 . 1 . . . . 55 Met HE2 . 17275 1 674 . 1 1 55 55 MET HE3 H 1 2.106 0.001 . 1 . . . . 55 Met HE3 . 17275 1 675 . 1 1 55 55 MET HG2 H 1 2.731 0.002 . 2 . . . . 55 Met HG2 . 17275 1 676 . 1 1 55 55 MET HG3 H 1 2.610 0.003 . 2 . . . . 55 Met HG3 . 17275 1 677 . 1 1 55 55 MET C C 13 178.340 0.006 . 1 . . . . 55 Met C . 17275 1 678 . 1 1 55 55 MET CA C 13 57.701 0.062 . 1 . . . . 55 Met CA . 17275 1 679 . 1 1 55 55 MET CB C 13 32.619 0.082 . 1 . . . . 55 Met CB . 17275 1 680 . 1 1 55 55 MET CE C 13 17.028 0.018 . 1 . . . . 55 Met CE . 17275 1 681 . 1 1 55 55 MET CG C 13 32.081 0.022 . 1 . . . . 55 Met CG . 17275 1 682 . 1 1 55 55 MET N N 15 116.356 0.039 . 1 . . . . 55 Met N . 17275 1 683 . 1 1 56 56 VAL H H 1 7.259 0.005 . 1 . . . . 56 Val H . 17275 1 684 . 1 1 56 56 VAL HA H 1 4.129 0.012 . 1 . . . . 56 Val HA . 17275 1 685 . 1 1 56 56 VAL HB H 1 2.284 0.007 . 1 . . . . 56 Val HB . 17275 1 686 . 1 1 56 56 VAL HG11 H 1 1.255 0.012 . 2 . . . . 56 Val HG11 . 17275 1 687 . 1 1 56 56 VAL HG12 H 1 1.255 0.012 . 2 . . . . 56 Val HG12 . 17275 1 688 . 1 1 56 56 VAL HG13 H 1 1.255 0.012 . 2 . . . . 56 Val HG13 . 17275 1 689 . 1 1 56 56 VAL HG21 H 1 1.163 0.010 . 2 . . . . 56 Val HG21 . 17275 1 690 . 1 1 56 56 VAL HG22 H 1 1.163 0.010 . 2 . . . . 56 Val HG22 . 17275 1 691 . 1 1 56 56 VAL HG23 H 1 1.163 0.010 . 2 . . . . 56 Val HG23 . 17275 1 692 . 1 1 56 56 VAL C C 13 176.894 0.012 . 1 . . . . 56 Val C . 17275 1 693 . 1 1 56 56 VAL CA C 13 63.852 0.048 . 1 . . . . 56 Val CA . 17275 1 694 . 1 1 56 56 VAL CB C 13 32.924 0.046 . 1 . . . . 56 Val CB . 17275 1 695 . 1 1 56 56 VAL CG1 C 13 22.407 0.026 . 2 . . . . 56 Val CG1 . 17275 1 696 . 1 1 56 56 VAL CG2 C 13 21.964 0.006 . 2 . . . . 56 Val CG2 . 17275 1 697 . 1 1 56 56 VAL N N 15 113.931 0.042 . 1 . . . . 56 Val N . 17275 1 698 . 1 1 57 57 ALA H H 1 7.360 0.005 . 1 . . . . 57 Ala H . 17275 1 699 . 1 1 57 57 ALA HA H 1 3.910 0.006 . 1 . . . . 57 Ala HA . 17275 1 700 . 1 1 57 57 ALA HB1 H 1 1.460 0.005 . 1 . . . . 57 Ala HB1 . 17275 1 701 . 1 1 57 57 ALA HB2 H 1 1.460 0.005 . 1 . . . . 57 Ala HB2 . 17275 1 702 . 1 1 57 57 ALA HB3 H 1 1.460 0.005 . 1 . . . . 57 Ala HB3 . 17275 1 703 . 1 1 57 57 ALA C C 13 176.198 0.000 . 1 . . . . 57 Ala C . 17275 1 704 . 1 1 57 57 ALA CA C 13 57.612 0.025 . 1 . . . . 57 Ala CA . 17275 1 705 . 1 1 57 57 ALA CB C 13 15.474 0.012 . 1 . . . . 57 Ala CB . 17275 1 706 . 1 1 57 57 ALA N N 15 122.783 0.070 . 1 . . . . 57 Ala N . 17275 1 707 . 1 1 58 58 PRO HA H 1 4.524 0.009 . 1 . . . . 58 Pro HA . 17275 1 708 . 1 1 58 58 PRO HB2 H 1 1.978 0.007 . 2 . . . . 58 Pro HB2 . 17275 1 709 . 1 1 58 58 PRO HB3 H 1 2.354 0.009 . 2 . . . . 58 Pro HB3 . 17275 1 710 . 1 1 58 58 PRO HD2 H 1 3.859 0.007 . 2 . . . . 58 Pro HD2 . 17275 1 711 . 1 1 58 58 PRO HD3 H 1 3.655 0.008 . 2 . . . . 58 Pro HD3 . 17275 1 712 . 1 1 58 58 PRO HG2 H 1 2.088 0.013 . 1 . . . . 58 Pro HG2 . 17275 1 713 . 1 1 58 58 PRO HG3 H 1 2.088 0.013 . 1 . . . . 58 Pro HG3 . 17275 1 714 . 1 1 58 58 PRO C C 13 179.622 0.005 . 1 . . . . 58 Pro C . 17275 1 715 . 1 1 58 58 PRO CA C 13 65.590 0.030 . 1 . . . . 58 Pro CA . 17275 1 716 . 1 1 58 58 PRO CB C 13 30.863 0.018 . 1 . . . . 58 Pro CB . 17275 1 717 . 1 1 58 58 PRO CD C 13 50.668 0.034 . 1 . . . . 58 Pro CD . 17275 1 718 . 1 1 58 58 PRO CG C 13 28.090 0.052 . 1 . . . . 58 Pro CG . 17275 1 719 . 1 1 59 59 ILE H H 1 6.672 0.005 . 1 . . . . 59 Ile H . 17275 1 720 . 1 1 59 59 ILE HA H 1 3.690 0.010 . 1 . . . . 59 Ile HA . 17275 1 721 . 1 1 59 59 ILE HB H 1 1.987 0.005 . 1 . . . . 59 Ile HB . 17275 1 722 . 1 1 59 59 ILE HD11 H 1 1.153 0.006 . 1 . . . . 59 Ile HD11 . 17275 1 723 . 1 1 59 59 ILE HD12 H 1 1.153 0.006 . 1 . . . . 59 Ile HD12 . 17275 1 724 . 1 1 59 59 ILE HD13 H 1 1.153 0.006 . 1 . . . . 59 Ile HD13 . 17275 1 725 . 1 1 59 59 ILE HG12 H 1 1.853 0.007 . 2 . . . . 59 Ile HG12 . 17275 1 726 . 1 1 59 59 ILE HG13 H 1 1.161 0.005 . 2 . . . . 59 Ile HG13 . 17275 1 727 . 1 1 59 59 ILE HG21 H 1 0.650 0.008 . 1 . . . . 59 Ile HG21 . 17275 1 728 . 1 1 59 59 ILE HG22 H 1 0.650 0.008 . 1 . . . . 59 Ile HG22 . 17275 1 729 . 1 1 59 59 ILE HG23 H 1 0.650 0.008 . 1 . . . . 59 Ile HG23 . 17275 1 730 . 1 1 59 59 ILE C C 13 178.339 0.000 . 1 . . . . 59 Ile C . 17275 1 731 . 1 1 59 59 ILE CA C 13 64.736 0.063 . 1 . . . . 59 Ile CA . 17275 1 732 . 1 1 59 59 ILE CB C 13 37.895 0.043 . 1 . . . . 59 Ile CB . 17275 1 733 . 1 1 59 59 ILE CD1 C 13 14.324 0.010 . 1 . . . . 59 Ile CD1 . 17275 1 734 . 1 1 59 59 ILE CG1 C 13 28.898 0.023 . 1 . . . . 59 Ile CG1 . 17275 1 735 . 1 1 59 59 ILE CG2 C 13 17.610 0.017 . 1 . . . . 59 Ile CG2 . 17275 1 736 . 1 1 59 59 ILE N N 15 118.402 0.046 . 1 . . . . 59 Ile N . 17275 1 737 . 1 1 60 60 LEU H H 1 7.600 0.016 . 1 . . . . 60 Leu H . 17275 1 738 . 1 1 60 60 LEU HA H 1 3.676 0.008 . 1 . . . . 60 Leu HA . 17275 1 739 . 1 1 60 60 LEU HB2 H 1 1.885 0.008 . 2 . . . . 60 Leu HB2 . 17275 1 740 . 1 1 60 60 LEU HB3 H 1 1.172 0.005 . 2 . . . . 60 Leu HB3 . 17275 1 741 . 1 1 60 60 LEU HD11 H 1 0.646 0.005 . 2 . . . . 60 Leu HD11 . 17275 1 742 . 1 1 60 60 LEU HD12 H 1 0.646 0.005 . 2 . . . . 60 Leu HD12 . 17275 1 743 . 1 1 60 60 LEU HD13 H 1 0.646 0.005 . 2 . . . . 60 Leu HD13 . 17275 1 744 . 1 1 60 60 LEU HD21 H 1 0.337 0.005 . 2 . . . . 60 Leu HD21 . 17275 1 745 . 1 1 60 60 LEU HD22 H 1 0.337 0.005 . 2 . . . . 60 Leu HD22 . 17275 1 746 . 1 1 60 60 LEU HD23 H 1 0.337 0.005 . 2 . . . . 60 Leu HD23 . 17275 1 747 . 1 1 60 60 LEU HG H 1 1.434 0.005 . 1 . . . . 60 Leu HG . 17275 1 748 . 1 1 60 60 LEU C C 13 178.295 0.016 . 1 . . . . 60 Leu C . 17275 1 749 . 1 1 60 60 LEU CA C 13 57.838 0.028 . 1 . . . . 60 Leu CA . 17275 1 750 . 1 1 60 60 LEU CB C 13 40.302 0.016 . 1 . . . . 60 Leu CB . 17275 1 751 . 1 1 60 60 LEU CD1 C 13 26.678 0.026 . 2 . . . . 60 Leu CD1 . 17275 1 752 . 1 1 60 60 LEU CD2 C 13 22.042 0.018 . 2 . . . . 60 Leu CD2 . 17275 1 753 . 1 1 60 60 LEU CG C 13 26.374 0.030 . 1 . . . . 60 Leu CG . 17275 1 754 . 1 1 60 60 LEU N N 15 118.114 0.101 . 1 . . . . 60 Leu N . 17275 1 755 . 1 1 61 61 ASP H H 1 7.547 0.009 . 1 . . . . 61 Asp H . 17275 1 756 . 1 1 61 61 ASP HA H 1 4.295 0.015 . 1 . . . . 61 Asp HA . 17275 1 757 . 1 1 61 61 ASP HB2 H 1 2.627 0.011 . 2 . . . . 61 Asp HB2 . 17275 1 758 . 1 1 61 61 ASP HB3 H 1 2.795 0.005 . 2 . . . . 61 Asp HB3 . 17275 1 759 . 1 1 61 61 ASP C C 13 179.489 0.044 . 1 . . . . 61 Asp C . 17275 1 760 . 1 1 61 61 ASP CA C 13 57.931 0.061 . 1 . . . . 61 Asp CA . 17275 1 761 . 1 1 61 61 ASP CB C 13 40.415 0.037 . 1 . . . . 61 Asp CB . 17275 1 762 . 1 1 61 61 ASP N N 15 118.023 0.105 . 1 . . . . 61 Asp N . 17275 1 763 . 1 1 62 62 GLU H H 1 7.612 0.006 . 1 . . . . 62 Glu H . 17275 1 764 . 1 1 62 62 GLU HA H 1 4.066 0.014 . 1 . . . . 62 Glu HA . 17275 1 765 . 1 1 62 62 GLU HB2 H 1 2.249 0.008 . 2 . . . . 62 Glu HB2 . 17275 1 766 . 1 1 62 62 GLU HB3 H 1 2.057 0.012 . 2 . . . . 62 Glu HB3 . 17275 1 767 . 1 1 62 62 GLU HG2 H 1 2.597 0.001 . 1 . . . . 62 Glu HG2 . 17275 1 768 . 1 1 62 62 GLU HG3 H 1 2.597 0.001 . 1 . . . . 62 Glu HG3 . 17275 1 769 . 1 1 62 62 GLU C C 13 180.064 0.020 . 1 . . . . 62 Glu C . 17275 1 770 . 1 1 62 62 GLU CA C 13 59.597 0.071 . 1 . . . . 62 Glu CA . 17275 1 771 . 1 1 62 62 GLU CB C 13 29.553 0.029 . 1 . . . . 62 Glu CB . 17275 1 772 . 1 1 62 62 GLU CG C 13 36.547 0.008 . 1 . . . . 62 Glu CG . 17275 1 773 . 1 1 62 62 GLU N N 15 119.833 0.080 . 1 . . . . 62 Glu N . 17275 1 774 . 1 1 63 63 LEU H H 1 8.529 0.007 . 1 . . . . 63 Leu H . 17275 1 775 . 1 1 63 63 LEU HA H 1 4.190 0.012 . 1 . . . . 63 Leu HA . 17275 1 776 . 1 1 63 63 LEU HB2 H 1 1.754 0.008 . 2 . . . . 63 Leu HB2 . 17275 1 777 . 1 1 63 63 LEU HB3 H 1 1.144 0.010 . 2 . . . . 63 Leu HB3 . 17275 1 778 . 1 1 63 63 LEU HD11 H 1 0.493 0.008 . 2 . . . . 63 Leu HD11 . 17275 1 779 . 1 1 63 63 LEU HD12 H 1 0.493 0.008 . 2 . . . . 63 Leu HD12 . 17275 1 780 . 1 1 63 63 LEU HD13 H 1 0.493 0.008 . 2 . . . . 63 Leu HD13 . 17275 1 781 . 1 1 63 63 LEU HD21 H 1 0.974 0.005 . 2 . . . . 63 Leu HD21 . 17275 1 782 . 1 1 63 63 LEU HD22 H 1 0.974 0.005 . 2 . . . . 63 Leu HD22 . 17275 1 783 . 1 1 63 63 LEU HD23 H 1 0.974 0.005 . 2 . . . . 63 Leu HD23 . 17275 1 784 . 1 1 63 63 LEU HG H 1 1.895 0.004 . 1 . . . . 63 Leu HG . 17275 1 785 . 1 1 63 63 LEU C C 13 178.355 0.007 . 1 . . . . 63 Leu C . 17275 1 786 . 1 1 63 63 LEU CA C 13 57.673 0.045 . 1 . . . . 63 Leu CA . 17275 1 787 . 1 1 63 63 LEU CB C 13 42.260 0.045 . 1 . . . . 63 Leu CB . 17275 1 788 . 1 1 63 63 LEU CD1 C 13 27.811 0.009 . 2 . . . . 63 Leu CD1 . 17275 1 789 . 1 1 63 63 LEU CD2 C 13 23.045 0.017 . 2 . . . . 63 Leu CD2 . 17275 1 790 . 1 1 63 63 LEU CG C 13 26.426 0.050 . 1 . . . . 63 Leu CG . 17275 1 791 . 1 1 63 63 LEU N N 15 120.352 0.053 . 1 . . . . 63 Leu N . 17275 1 792 . 1 1 64 64 ALA H H 1 8.531 0.007 . 1 . . . . 64 Ala H . 17275 1 793 . 1 1 64 64 ALA HA H 1 3.872 0.010 . 1 . . . . 64 Ala HA . 17275 1 794 . 1 1 64 64 ALA HB1 H 1 1.209 0.008 . 1 . . . . 64 Ala HB1 . 17275 1 795 . 1 1 64 64 ALA HB2 H 1 1.209 0.008 . 1 . . . . 64 Ala HB2 . 17275 1 796 . 1 1 64 64 ALA HB3 H 1 1.209 0.008 . 1 . . . . 64 Ala HB3 . 17275 1 797 . 1 1 64 64 ALA C C 13 179.628 0.004 . 1 . . . . 64 Ala C . 17275 1 798 . 1 1 64 64 ALA CA C 13 54.477 0.021 . 1 . . . . 64 Ala CA . 17275 1 799 . 1 1 64 64 ALA CB C 13 17.906 0.019 . 1 . . . . 64 Ala CB . 17275 1 800 . 1 1 64 64 ALA N N 15 121.016 0.089 . 1 . . . . 64 Ala N . 17275 1 801 . 1 1 65 65 LYS H H 1 6.901 0.003 . 1 . . . . 65 Lys H . 17275 1 802 . 1 1 65 65 LYS HA H 1 4.197 0.012 . 1 . . . . 65 Lys HA . 17275 1 803 . 1 1 65 65 LYS HB2 H 1 1.994 0.006 . 1 . . . . 65 Lys HB2 . 17275 1 804 . 1 1 65 65 LYS HB3 H 1 1.994 0.006 . 1 . . . . 65 Lys HB3 . 17275 1 805 . 1 1 65 65 LYS HD2 H 1 1.762 0.004 . 1 . . . . 65 Lys HD2 . 17275 1 806 . 1 1 65 65 LYS HD3 H 1 1.762 0.004 . 1 . . . . 65 Lys HD3 . 17275 1 807 . 1 1 65 65 LYS HE2 H 1 3.029 0.014 . 1 . . . . 65 Lys HE2 . 17275 1 808 . 1 1 65 65 LYS HE3 H 1 3.029 0.014 . 1 . . . . 65 Lys HE3 . 17275 1 809 . 1 1 65 65 LYS HG2 H 1 1.623 0.006 . 1 . . . . 65 Lys HG2 . 17275 1 810 . 1 1 65 65 LYS HG3 H 1 1.623 0.006 . 1 . . . . 65 Lys HG3 . 17275 1 811 . 1 1 65 65 LYS C C 13 179.432 0.033 . 1 . . . . 65 Lys C . 17275 1 812 . 1 1 65 65 LYS CA C 13 58.605 0.104 . 1 . . . . 65 Lys CA . 17275 1 813 . 1 1 65 65 LYS CB C 13 32.817 0.029 . 1 . . . . 65 Lys CB . 17275 1 814 . 1 1 65 65 LYS CD C 13 29.102 0.000 . 1 . . . . 65 Lys CD . 17275 1 815 . 1 1 65 65 LYS CE C 13 42.040 0.000 . 1 . . . . 65 Lys CE . 17275 1 816 . 1 1 65 65 LYS CG C 13 25.092 0.027 . 1 . . . . 65 Lys CG . 17275 1 817 . 1 1 65 65 LYS N N 15 114.900 0.068 . 1 . . . . 65 Lys N . 17275 1 818 . 1 1 66 66 GLU H H 1 8.277 0.005 . 1 . . . . 66 Glu H . 17275 1 819 . 1 1 66 66 GLU HA H 1 3.872 0.008 . 1 . . . . 66 Glu HA . 17275 1 820 . 1 1 66 66 GLU HB2 H 1 2.038 0.008 . 2 . . . . 66 Glu HB2 . 17275 1 821 . 1 1 66 66 GLU HB3 H 1 1.821 0.004 . 2 . . . . 66 Glu HB3 . 17275 1 822 . 1 1 66 66 GLU HG2 H 1 2.229 0.008 . 2 . . . . 66 Glu HG2 . 17275 1 823 . 1 1 66 66 GLU HG3 H 1 1.763 0.004 . 2 . . . . 66 Glu HG3 . 17275 1 824 . 1 1 66 66 GLU C C 13 178.164 0.006 . 1 . . . . 66 Glu C . 17275 1 825 . 1 1 66 66 GLU CA C 13 59.397 0.044 . 1 . . . . 66 Glu CA . 17275 1 826 . 1 1 66 66 GLU CB C 13 30.047 0.044 . 1 . . . . 66 Glu CB . 17275 1 827 . 1 1 66 66 GLU CG C 13 35.801 0.022 . 1 . . . . 66 Glu CG . 17275 1 828 . 1 1 66 66 GLU N N 15 121.309 0.056 . 1 . . . . 66 Glu N . 17275 1 829 . 1 1 67 67 TYR H H 1 8.294 0.004 . 1 . . . . 67 Tyr H . 17275 1 830 . 1 1 67 67 TYR HA H 1 4.592 0.007 . 1 . . . . 67 Tyr HA . 17275 1 831 . 1 1 67 67 TYR HB2 H 1 3.397 0.009 . 2 . . . . 67 Tyr HB2 . 17275 1 832 . 1 1 67 67 TYR HB3 H 1 2.602 0.007 . 2 . . . . 67 Tyr HB3 . 17275 1 833 . 1 1 67 67 TYR HD1 H 1 7.120 0.010 . 3 . . . . 67 Tyr HD1 . 17275 1 834 . 1 1 67 67 TYR HD2 H 1 7.120 0.010 . 3 . . . . 67 Tyr HD2 . 17275 1 835 . 1 1 67 67 TYR HE1 H 1 6.691 0.003 . 3 . . . . 67 Tyr HE1 . 17275 1 836 . 1 1 67 67 TYR HE2 H 1 6.691 0.003 . 3 . . . . 67 Tyr HE2 . 17275 1 837 . 1 1 67 67 TYR C C 13 174.905 0.014 . 1 . . . . 67 Tyr C . 17275 1 838 . 1 1 67 67 TYR CA C 13 58.025 0.036 . 1 . . . . 67 Tyr CA . 17275 1 839 . 1 1 67 67 TYR CB C 13 38.071 0.030 . 1 . . . . 67 Tyr CB . 17275 1 840 . 1 1 67 67 TYR CD1 C 13 132.670 0.061 . 3 . . . . 67 Tyr CD1 . 17275 1 841 . 1 1 67 67 TYR CD2 C 13 132.670 0.061 . 3 . . . . 67 Tyr CD2 . 17275 1 842 . 1 1 67 67 TYR CE1 C 13 119.289 0.064 . 3 . . . . 67 Tyr CE1 . 17275 1 843 . 1 1 67 67 TYR CE2 C 13 119.289 0.064 . 3 . . . . 67 Tyr CE2 . 17275 1 844 . 1 1 67 67 TYR N N 15 113.292 0.036 . 1 . . . . 67 Tyr N . 17275 1 845 . 1 1 68 68 ASP H H 1 6.914 0.010 . 1 . . . . 68 Asp H . 17275 1 846 . 1 1 68 68 ASP HA H 1 4.533 0.008 . 1 . . . . 68 Asp HA . 17275 1 847 . 1 1 68 68 ASP HB2 H 1 3.180 0.008 . 2 . . . . 68 Asp HB2 . 17275 1 848 . 1 1 68 68 ASP HB3 H 1 2.663 0.006 . 2 . . . . 68 Asp HB3 . 17275 1 849 . 1 1 68 68 ASP C C 13 177.624 0.001 . 1 . . . . 68 Asp C . 17275 1 850 . 1 1 68 68 ASP CA C 13 57.028 0.055 . 1 . . . . 68 Asp CA . 17275 1 851 . 1 1 68 68 ASP CB C 13 41.831 0.017 . 1 . . . . 68 Asp CB . 17275 1 852 . 1 1 68 68 ASP N N 15 122.548 0.078 . 1 . . . . 68 Asp N . 17275 1 853 . 1 1 69 69 GLY H H 1 9.241 0.006 . 1 . . . . 69 Gly H . 17275 1 854 . 1 1 69 69 GLY HA2 H 1 3.719 0.006 . 2 . . . . 69 Gly HA2 . 17275 1 855 . 1 1 69 69 GLY HA3 H 1 4.436 0.010 . 2 . . . . 69 Gly HA3 . 17275 1 856 . 1 1 69 69 GLY C C 13 174.056 0.011 . 1 . . . . 69 Gly C . 17275 1 857 . 1 1 69 69 GLY CA C 13 45.778 0.058 . 1 . . . . 69 Gly CA . 17275 1 858 . 1 1 69 69 GLY N N 15 117.298 0.062 . 1 . . . . 69 Gly N . 17275 1 859 . 1 1 70 70 GLN H H 1 8.614 0.006 . 1 . . . . 70 Gln H . 17275 1 860 . 1 1 70 70 GLN HA H 1 4.609 0.009 . 1 . . . . 70 Gln HA . 17275 1 861 . 1 1 70 70 GLN HB2 H 1 2.371 0.000 . 1 . . . . 70 Gln HB2 . 17275 1 862 . 1 1 70 70 GLN HB3 H 1 2.371 0.000 . 1 . . . . 70 Gln HB3 . 17275 1 863 . 1 1 70 70 GLN HE21 H 1 7.789 0.008 . 1 . . . . 70 Gln HE21 . 17275 1 864 . 1 1 70 70 GLN HE22 H 1 6.826 0.012 . 1 . . . . 70 Gln HE22 . 17275 1 865 . 1 1 70 70 GLN HG2 H 1 2.280 0.007 . 1 . . . . 70 Gln HG2 . 17275 1 866 . 1 1 70 70 GLN HG3 H 1 2.280 0.007 . 1 . . . . 70 Gln HG3 . 17275 1 867 . 1 1 70 70 GLN C C 13 175.976 0.010 . 1 . . . . 70 Gln C . 17275 1 868 . 1 1 70 70 GLN CA C 13 57.384 0.048 . 1 . . . . 70 Gln CA . 17275 1 869 . 1 1 70 70 GLN CB C 13 32.435 0.061 . 1 . . . . 70 Gln CB . 17275 1 870 . 1 1 70 70 GLN CG C 13 34.800 0.010 . 1 . . . . 70 Gln CG . 17275 1 871 . 1 1 70 70 GLN N N 15 117.726 0.063 . 1 . . . . 70 Gln N . 17275 1 872 . 1 1 70 70 GLN NE2 N 15 111.797 0.053 . 1 . . . . 70 Gln NE2 . 17275 1 873 . 1 1 71 71 ILE H H 1 7.646 0.012 . 1 . . . . 71 Ile H . 17275 1 874 . 1 1 71 71 ILE HA H 1 5.066 0.010 . 1 . . . . 71 Ile HA . 17275 1 875 . 1 1 71 71 ILE HB H 1 1.702 0.007 . 1 . . . . 71 Ile HB . 17275 1 876 . 1 1 71 71 ILE HD11 H 1 0.449 0.005 . 1 . . . . 71 Ile HD11 . 17275 1 877 . 1 1 71 71 ILE HD12 H 1 0.449 0.005 . 1 . . . . 71 Ile HD12 . 17275 1 878 . 1 1 71 71 ILE HD13 H 1 0.449 0.005 . 1 . . . . 71 Ile HD13 . 17275 1 879 . 1 1 71 71 ILE HG12 H 1 1.001 0.007 . 1 . . . . 71 Ile HG12 . 17275 1 880 . 1 1 71 71 ILE HG13 H 1 1.001 0.007 . 1 . . . . 71 Ile HG13 . 17275 1 881 . 1 1 71 71 ILE HG21 H 1 0.729 0.010 . 1 . . . . 71 Ile HG21 . 17275 1 882 . 1 1 71 71 ILE HG22 H 1 0.729 0.010 . 1 . . . . 71 Ile HG22 . 17275 1 883 . 1 1 71 71 ILE HG23 H 1 0.729 0.010 . 1 . . . . 71 Ile HG23 . 17275 1 884 . 1 1 71 71 ILE C C 13 174.295 0.015 . 1 . . . . 71 Ile C . 17275 1 885 . 1 1 71 71 ILE CA C 13 58.174 0.041 . 1 . . . . 71 Ile CA . 17275 1 886 . 1 1 71 71 ILE CB C 13 41.734 0.046 . 1 . . . . 71 Ile CB . 17275 1 887 . 1 1 71 71 ILE CD1 C 13 14.060 0.018 . 1 . . . . 71 Ile CD1 . 17275 1 888 . 1 1 71 71 ILE CG1 C 13 25.155 0.034 . 1 . . . . 71 Ile CG1 . 17275 1 889 . 1 1 71 71 ILE CG2 C 13 17.706 0.065 . 1 . . . . 71 Ile CG2 . 17275 1 890 . 1 1 71 71 ILE N N 15 108.904 0.113 . 1 . . . . 71 Ile N . 17275 1 891 . 1 1 72 72 VAL H H 1 8.600 0.008 . 1 . . . . 72 Val H . 17275 1 892 . 1 1 72 72 VAL HA H 1 4.461 0.011 . 1 . . . . 72 Val HA . 17275 1 893 . 1 1 72 72 VAL HB H 1 1.625 0.005 . 1 . . . . 72 Val HB . 17275 1 894 . 1 1 72 72 VAL HG11 H 1 0.694 0.007 . 2 . . . . 72 Val HG11 . 17275 1 895 . 1 1 72 72 VAL HG12 H 1 0.694 0.007 . 2 . . . . 72 Val HG12 . 17275 1 896 . 1 1 72 72 VAL HG13 H 1 0.694 0.007 . 2 . . . . 72 Val HG13 . 17275 1 897 . 1 1 72 72 VAL HG21 H 1 0.697 0.005 . 2 . . . . 72 Val HG21 . 17275 1 898 . 1 1 72 72 VAL HG22 H 1 0.697 0.005 . 2 . . . . 72 Val HG22 . 17275 1 899 . 1 1 72 72 VAL HG23 H 1 0.697 0.005 . 2 . . . . 72 Val HG23 . 17275 1 900 . 1 1 72 72 VAL C C 13 172.659 0.007 . 1 . . . . 72 Val C . 17275 1 901 . 1 1 72 72 VAL CA C 13 59.974 0.039 . 1 . . . . 72 Val CA . 17275 1 902 . 1 1 72 72 VAL CB C 13 34.712 0.049 . 1 . . . . 72 Val CB . 17275 1 903 . 1 1 72 72 VAL CG1 C 13 20.733 0.051 . 2 . . . . 72 Val CG1 . 17275 1 904 . 1 1 72 72 VAL CG2 C 13 20.744 0.055 . 2 . . . . 72 Val CG2 . 17275 1 905 . 1 1 72 72 VAL N N 15 121.601 0.075 . 1 . . . . 72 Val N . 17275 1 906 . 1 1 73 73 ILE H H 1 8.688 0.007 . 1 . . . . 73 Ile H . 17275 1 907 . 1 1 73 73 ILE HA H 1 4.638 0.011 . 1 . . . . 73 Ile HA . 17275 1 908 . 1 1 73 73 ILE HB H 1 1.613 0.009 . 1 . . . . 73 Ile HB . 17275 1 909 . 1 1 73 73 ILE HD11 H 1 0.626 0.006 . 1 . . . . 73 Ile HD11 . 17275 1 910 . 1 1 73 73 ILE HD12 H 1 0.626 0.006 . 1 . . . . 73 Ile HD12 . 17275 1 911 . 1 1 73 73 ILE HD13 H 1 0.626 0.006 . 1 . . . . 73 Ile HD13 . 17275 1 912 . 1 1 73 73 ILE HG12 H 1 0.722 0.009 . 2 . . . . 73 Ile HG12 . 17275 1 913 . 1 1 73 73 ILE HG13 H 1 1.469 0.009 . 2 . . . . 73 Ile HG13 . 17275 1 914 . 1 1 73 73 ILE HG21 H 1 0.710 0.008 . 1 . . . . 73 Ile HG21 . 17275 1 915 . 1 1 73 73 ILE HG22 H 1 0.710 0.008 . 1 . . . . 73 Ile HG22 . 17275 1 916 . 1 1 73 73 ILE HG23 H 1 0.710 0.008 . 1 . . . . 73 Ile HG23 . 17275 1 917 . 1 1 73 73 ILE C C 13 173.409 0.022 . 1 . . . . 73 Ile C . 17275 1 918 . 1 1 73 73 ILE CA C 13 60.549 0.044 . 1 . . . . 73 Ile CA . 17275 1 919 . 1 1 73 73 ILE CB C 13 38.471 0.048 . 1 . . . . 73 Ile CB . 17275 1 920 . 1 1 73 73 ILE CD1 C 13 13.723 0.006 . 1 . . . . 73 Ile CD1 . 17275 1 921 . 1 1 73 73 ILE CG1 C 13 27.110 0.056 . 1 . . . . 73 Ile CG1 . 17275 1 922 . 1 1 73 73 ILE CG2 C 13 18.484 0.016 . 1 . . . . 73 Ile CG2 . 17275 1 923 . 1 1 73 73 ILE N N 15 124.261 0.029 . 1 . . . . 73 Ile N . 17275 1 924 . 1 1 74 74 TYR H H 1 9.249 0.006 . 1 . . . . 74 Tyr H . 17275 1 925 . 1 1 74 74 TYR HA H 1 6.111 0.009 . 1 . . . . 74 Tyr HA . 17275 1 926 . 1 1 74 74 TYR HB2 H 1 2.939 0.006 . 2 . . . . 74 Tyr HB2 . 17275 1 927 . 1 1 74 74 TYR HB3 H 1 2.750 0.011 . 2 . . . . 74 Tyr HB3 . 17275 1 928 . 1 1 74 74 TYR HD1 H 1 6.982 0.008 . 3 . . . . 74 Tyr HD1 . 17275 1 929 . 1 1 74 74 TYR HD2 H 1 6.982 0.008 . 3 . . . . 74 Tyr HD2 . 17275 1 930 . 1 1 74 74 TYR HE1 H 1 6.589 0.003 . 3 . . . . 74 Tyr HE1 . 17275 1 931 . 1 1 74 74 TYR HE2 H 1 6.589 0.003 . 3 . . . . 74 Tyr HE2 . 17275 1 932 . 1 1 74 74 TYR C C 13 175.771 0.027 . 1 . . . . 74 Tyr C . 17275 1 933 . 1 1 74 74 TYR CA C 13 55.025 0.028 . 1 . . . . 74 Tyr CA . 17275 1 934 . 1 1 74 74 TYR CB C 13 43.439 0.031 . 1 . . . . 74 Tyr CB . 17275 1 935 . 1 1 74 74 TYR CD1 C 13 133.019 0.047 . 3 . . . . 74 Tyr CD1 . 17275 1 936 . 1 1 74 74 TYR CD2 C 13 133.019 0.047 . 3 . . . . 74 Tyr CD2 . 17275 1 937 . 1 1 74 74 TYR CE1 C 13 117.636 0.020 . 3 . . . . 74 Tyr CE1 . 17275 1 938 . 1 1 74 74 TYR CE2 C 13 117.636 0.020 . 3 . . . . 74 Tyr CE2 . 17275 1 939 . 1 1 74 74 TYR N N 15 124.644 0.082 . 1 . . . . 74 Tyr N . 17275 1 940 . 1 1 75 75 LYS H H 1 8.747 0.023 . 1 . . . . 75 Lys H . 17275 1 941 . 1 1 75 75 LYS HA H 1 5.242 0.010 . 1 . . . . 75 Lys HA . 17275 1 942 . 1 1 75 75 LYS HB2 H 1 1.617 0.007 . 2 . . . . 75 Lys HB2 . 17275 1 943 . 1 1 75 75 LYS HB3 H 1 1.298 0.005 . 2 . . . . 75 Lys HB3 . 17275 1 944 . 1 1 75 75 LYS HD2 H 1 1.241 0.010 . 2 . . . . 75 Lys HD2 . 17275 1 945 . 1 1 75 75 LYS HD3 H 1 1.084 0.005 . 2 . . . . 75 Lys HD3 . 17275 1 946 . 1 1 75 75 LYS HE2 H 1 2.321 0.007 . 1 . . . . 75 Lys HE2 . 17275 1 947 . 1 1 75 75 LYS HE3 H 1 2.321 0.007 . 1 . . . . 75 Lys HE3 . 17275 1 948 . 1 1 75 75 LYS HG2 H 1 1.178 0.006 . 1 . . . . 75 Lys HG2 . 17275 1 949 . 1 1 75 75 LYS HG3 H 1 1.178 0.006 . 1 . . . . 75 Lys HG3 . 17275 1 950 . 1 1 75 75 LYS C C 13 174.180 0.031 . 1 . . . . 75 Lys C . 17275 1 951 . 1 1 75 75 LYS CA C 13 54.422 0.020 . 1 . . . . 75 Lys CA . 17275 1 952 . 1 1 75 75 LYS CB C 13 35.836 0.035 . 1 . . . . 75 Lys CB . 17275 1 953 . 1 1 75 75 LYS CD C 13 29.255 0.019 . 1 . . . . 75 Lys CD . 17275 1 954 . 1 1 75 75 LYS CE C 13 41.344 0.028 . 1 . . . . 75 Lys CE . 17275 1 955 . 1 1 75 75 LYS CG C 13 24.734 0.026 . 1 . . . . 75 Lys CG . 17275 1 956 . 1 1 75 75 LYS N N 15 118.423 0.070 . 1 . . . . 75 Lys N . 17275 1 957 . 1 1 76 76 VAL H H 1 8.943 0.007 . 1 . . . . 76 Val H . 17275 1 958 . 1 1 76 76 VAL HA H 1 4.329 0.008 . 1 . . . . 76 Val HA . 17275 1 959 . 1 1 76 76 VAL HB H 1 1.387 0.009 . 1 . . . . 76 Val HB . 17275 1 960 . 1 1 76 76 VAL HG11 H 1 0.795 0.009 . 2 . . . . 76 Val HG11 . 17275 1 961 . 1 1 76 76 VAL HG12 H 1 0.795 0.009 . 2 . . . . 76 Val HG12 . 17275 1 962 . 1 1 76 76 VAL HG13 H 1 0.795 0.009 . 2 . . . . 76 Val HG13 . 17275 1 963 . 1 1 76 76 VAL HG21 H 1 0.548 0.005 . 2 . . . . 76 Val HG21 . 17275 1 964 . 1 1 76 76 VAL HG22 H 1 0.548 0.005 . 2 . . . . 76 Val HG22 . 17275 1 965 . 1 1 76 76 VAL HG23 H 1 0.548 0.005 . 2 . . . . 76 Val HG23 . 17275 1 966 . 1 1 76 76 VAL C C 13 172.952 0.011 . 1 . . . . 76 Val C . 17275 1 967 . 1 1 76 76 VAL CA C 13 61.069 0.050 . 1 . . . . 76 Val CA . 17275 1 968 . 1 1 76 76 VAL CB C 13 35.648 0.063 . 1 . . . . 76 Val CB . 17275 1 969 . 1 1 76 76 VAL CG1 C 13 21.978 0.044 . 2 . . . . 76 Val CG1 . 17275 1 970 . 1 1 76 76 VAL CG2 C 13 21.160 0.010 . 2 . . . . 76 Val CG2 . 17275 1 971 . 1 1 76 76 VAL N N 15 120.918 0.038 . 1 . . . . 76 Val N . 17275 1 972 . 1 1 77 77 ASP H H 1 9.037 0.006 . 1 . . . . 77 Asp H . 17275 1 973 . 1 1 77 77 ASP HA H 1 3.711 0.004 . 1 . . . . 77 Asp HA . 17275 1 974 . 1 1 77 77 ASP HB2 H 1 2.971 0.008 . 2 . . . . 77 Asp HB2 . 17275 1 975 . 1 1 77 77 ASP HB3 H 1 2.734 0.008 . 2 . . . . 77 Asp HB3 . 17275 1 976 . 1 1 77 77 ASP C C 13 177.640 0.000 . 1 . . . . 77 Asp C . 17275 1 977 . 1 1 77 77 ASP CA C 13 52.326 0.042 . 1 . . . . 77 Asp CA . 17275 1 978 . 1 1 77 77 ASP CB C 13 40.159 0.039 . 1 . . . . 77 Asp CB . 17275 1 979 . 1 1 77 77 ASP N N 15 128.051 0.060 . 1 . . . . 77 Asp N . 17275 1 980 . 1 1 78 78 THR H H 1 9.129 0.020 . 1 . . . . 78 Thr H . 17275 1 981 . 1 1 78 78 THR HA H 1 3.687 0.011 . 1 . . . . 78 Thr HA . 17275 1 982 . 1 1 78 78 THR HB H 1 4.206 0.002 . 1 . . . . 78 Thr HB . 17275 1 983 . 1 1 78 78 THR HG21 H 1 1.411 0.008 . 1 . . . . 78 Thr HG21 . 17275 1 984 . 1 1 78 78 THR HG22 H 1 1.411 0.008 . 1 . . . . 78 Thr HG22 . 17275 1 985 . 1 1 78 78 THR HG23 H 1 1.411 0.008 . 1 . . . . 78 Thr HG23 . 17275 1 986 . 1 1 78 78 THR C C 13 175.434 0.000 . 1 . . . . 78 Thr C . 17275 1 987 . 1 1 78 78 THR CA C 13 64.986 0.067 . 1 . . . . 78 Thr CA . 17275 1 988 . 1 1 78 78 THR CB C 13 68.437 0.039 . 1 . . . . 78 Thr CB . 17275 1 989 . 1 1 78 78 THR CG2 C 13 23.875 0.007 . 1 . . . . 78 Thr CG2 . 17275 1 990 . 1 1 78 78 THR N N 15 118.512 0.075 . 1 . . . . 78 Thr N . 17275 1 991 . 1 1 79 79 GLU H H 1 8.254 0.007 . 1 . . . . 79 Glu H . 17275 1 992 . 1 1 79 79 GLU HA H 1 4.342 0.013 . 1 . . . . 79 Glu HA . 17275 1 993 . 1 1 79 79 GLU HB2 H 1 2.261 0.012 . 1 . . . . 79 Glu HB2 . 17275 1 994 . 1 1 79 79 GLU HB3 H 1 2.263 0.011 . 1 . . . . 79 Glu HB3 . 17275 1 995 . 1 1 79 79 GLU HG2 H 1 2.604 0.006 . 2 . . . . 79 Glu HG2 . 17275 1 996 . 1 1 79 79 GLU HG3 H 1 2.358 0.007 . 2 . . . . 79 Glu HG3 . 17275 1 997 . 1 1 79 79 GLU C C 13 178.113 0.012 . 1 . . . . 79 Glu C . 17275 1 998 . 1 1 79 79 GLU CA C 13 58.013 0.141 . 1 . . . . 79 Glu CA . 17275 1 999 . 1 1 79 79 GLU CB C 13 30.084 0.054 . 1 . . . . 79 Glu CB . 17275 1 1000 . 1 1 79 79 GLU CG C 13 37.289 0.038 . 1 . . . . 79 Glu CG . 17275 1 1001 . 1 1 79 79 GLU N N 15 119.534 0.065 . 1 . . . . 79 Glu N . 17275 1 1002 . 1 1 80 80 LYS H H 1 7.041 0.004 . 1 . . . . 80 Lys H . 17275 1 1003 . 1 1 80 80 LYS HA H 1 4.475 0.006 . 1 . . . . 80 Lys HA . 17275 1 1004 . 1 1 80 80 LYS HB2 H 1 2.085 0.004 . 2 . . . . 80 Lys HB2 . 17275 1 1005 . 1 1 80 80 LYS HB3 H 1 1.840 0.010 . 2 . . . . 80 Lys HB3 . 17275 1 1006 . 1 1 80 80 LYS HD2 H 1 1.828 0.007 . 1 . . . . 80 Lys HD2 . 17275 1 1007 . 1 1 80 80 LYS HD3 H 1 1.828 0.007 . 1 . . . . 80 Lys HD3 . 17275 1 1008 . 1 1 80 80 LYS HE2 H 1 3.139 0.007 . 2 . . . . 80 Lys HE2 . 17275 1 1009 . 1 1 80 80 LYS HE3 H 1 3.127 0.011 . 2 . . . . 80 Lys HE3 . 17275 1 1010 . 1 1 80 80 LYS HG2 H 1 1.598 0.005 . 2 . . . . 80 Lys HG2 . 17275 1 1011 . 1 1 80 80 LYS HG3 H 1 1.525 0.008 . 2 . . . . 80 Lys HG3 . 17275 1 1012 . 1 1 80 80 LYS C C 13 177.890 0.021 . 1 . . . . 80 Lys C . 17275 1 1013 . 1 1 80 80 LYS CA C 13 56.954 0.035 . 1 . . . . 80 Lys CA . 17275 1 1014 . 1 1 80 80 LYS CB C 13 34.733 0.020 . 1 . . . . 80 Lys CB . 17275 1 1015 . 1 1 80 80 LYS CD C 13 28.818 0.000 . 1 . . . . 80 Lys CD . 17275 1 1016 . 1 1 80 80 LYS CE C 13 41.462 0.005 . 1 . . . . 80 Lys CE . 17275 1 1017 . 1 1 80 80 LYS CG C 13 25.448 0.002 . 1 . . . . 80 Lys CG . 17275 1 1018 . 1 1 80 80 LYS N N 15 117.784 0.040 . 1 . . . . 80 Lys N . 17275 1 1019 . 1 1 81 81 GLU H H 1 8.439 0.011 . 1 . . . . 81 Glu H . 17275 1 1020 . 1 1 81 81 GLU HA H 1 4.974 0.009 . 1 . . . . 81 Glu HA . 17275 1 1021 . 1 1 81 81 GLU HB2 H 1 2.149 0.008 . 2 . . . . 81 Glu HB2 . 17275 1 1022 . 1 1 81 81 GLU HB3 H 1 1.801 0.007 . 2 . . . . 81 Glu HB3 . 17275 1 1023 . 1 1 81 81 GLU HG2 H 1 2.582 0.008 . 2 . . . . 81 Glu HG2 . 17275 1 1024 . 1 1 81 81 GLU HG3 H 1 2.436 0.005 . 2 . . . . 81 Glu HG3 . 17275 1 1025 . 1 1 81 81 GLU C C 13 176.791 0.018 . 1 . . . . 81 Glu C . 17275 1 1026 . 1 1 81 81 GLU CA C 13 53.183 0.039 . 1 . . . . 81 Glu CA . 17275 1 1027 . 1 1 81 81 GLU CB C 13 27.014 0.027 . 1 . . . . 81 Glu CB . 17275 1 1028 . 1 1 81 81 GLU CG C 13 34.714 0.020 . 1 . . . . 81 Glu CG . 17275 1 1029 . 1 1 81 81 GLU N N 15 120.690 0.104 . 1 . . . . 81 Glu N . 17275 1 1030 . 1 1 82 82 GLN H H 1 7.851 0.004 . 1 . . . . 82 Gln H . 17275 1 1031 . 1 1 82 82 GLN HA H 1 4.059 0.012 . 1 . . . . 82 Gln HA . 17275 1 1032 . 1 1 82 82 GLN HB2 H 1 2.118 0.014 . 2 . . . . 82 Gln HB2 . 17275 1 1033 . 1 1 82 82 GLN HB3 H 1 2.105 0.013 . 2 . . . . 82 Gln HB3 . 17275 1 1034 . 1 1 82 82 GLN HE21 H 1 7.642 0.004 . 1 . . . . 82 Gln HE21 . 17275 1 1035 . 1 1 82 82 GLN HE22 H 1 6.845 0.005 . 1 . . . . 82 Gln HE22 . 17275 1 1036 . 1 1 82 82 GLN HG2 H 1 2.502 0.009 . 2 . . . . 82 Gln HG2 . 17275 1 1037 . 1 1 82 82 GLN HG3 H 1 2.498 0.009 . 2 . . . . 82 Gln HG3 . 17275 1 1038 . 1 1 82 82 GLN C C 13 180.035 0.003 . 1 . . . . 82 Gln C . 17275 1 1039 . 1 1 82 82 GLN CA C 13 59.535 0.031 . 1 . . . . 82 Gln CA . 17275 1 1040 . 1 1 82 82 GLN CB C 13 28.480 0.026 . 1 . . . . 82 Gln CB . 17275 1 1041 . 1 1 82 82 GLN CG C 13 34.281 0.007 . 1 . . . . 82 Gln CG . 17275 1 1042 . 1 1 82 82 GLN N N 15 119.711 0.059 . 1 . . . . 82 Gln N . 17275 1 1043 . 1 1 82 82 GLN NE2 N 15 111.889 0.038 . 1 . . . . 82 Gln NE2 . 17275 1 1044 . 1 1 83 83 GLU H H 1 8.694 0.012 . 1 . . . . 83 Glu H . 17275 1 1045 . 1 1 83 83 GLU HA H 1 4.139 0.008 . 1 . . . . 83 Glu HA . 17275 1 1046 . 1 1 83 83 GLU HB2 H 1 2.124 0.012 . 2 . . . . 83 Glu HB2 . 17275 1 1047 . 1 1 83 83 GLU HB3 H 1 2.119 0.011 . 2 . . . . 83 Glu HB3 . 17275 1 1048 . 1 1 83 83 GLU HG2 H 1 2.451 0.007 . 2 . . . . 83 Glu HG2 . 17275 1 1049 . 1 1 83 83 GLU HG3 H 1 2.342 0.002 . 2 . . . . 83 Glu HG3 . 17275 1 1050 . 1 1 83 83 GLU C C 13 179.735 0.015 . 1 . . . . 83 Glu C . 17275 1 1051 . 1 1 83 83 GLU CA C 13 59.626 0.044 . 1 . . . . 83 Glu CA . 17275 1 1052 . 1 1 83 83 GLU CB C 13 29.240 0.032 . 1 . . . . 83 Glu CB . 17275 1 1053 . 1 1 83 83 GLU CG C 13 37.030 0.010 . 1 . . . . 83 Glu CG . 17275 1 1054 . 1 1 83 83 GLU N N 15 120.076 0.037 . 1 . . . . 83 Glu N . 17275 1 1055 . 1 1 84 84 LEU H H 1 8.173 0.005 . 1 . . . . 84 Leu H . 17275 1 1056 . 1 1 84 84 LEU HA H 1 4.010 0.011 . 1 . . . . 84 Leu HA . 17275 1 1057 . 1 1 84 84 LEU HB2 H 1 1.789 0.009 . 2 . . . . 84 Leu HB2 . 17275 1 1058 . 1 1 84 84 LEU HB3 H 1 1.717 0.011 . 2 . . . . 84 Leu HB3 . 17275 1 1059 . 1 1 84 84 LEU HD11 H 1 0.635 0.007 . 2 . . . . 84 Leu HD11 . 17275 1 1060 . 1 1 84 84 LEU HD12 H 1 0.635 0.007 . 2 . . . . 84 Leu HD12 . 17275 1 1061 . 1 1 84 84 LEU HD13 H 1 0.635 0.007 . 2 . . . . 84 Leu HD13 . 17275 1 1062 . 1 1 84 84 LEU HD21 H 1 0.635 0.007 . 2 . . . . 84 Leu HD21 . 17275 1 1063 . 1 1 84 84 LEU HD22 H 1 0.635 0.007 . 2 . . . . 84 Leu HD22 . 17275 1 1064 . 1 1 84 84 LEU HD23 H 1 0.635 0.007 . 2 . . . . 84 Leu HD23 . 17275 1 1065 . 1 1 84 84 LEU HG H 1 1.624 0.004 . 1 . . . . 84 Leu HG . 17275 1 1066 . 1 1 84 84 LEU C C 13 177.418 0.001 . 1 . . . . 84 Leu C . 17275 1 1067 . 1 1 84 84 LEU CA C 13 57.972 0.046 . 1 . . . . 84 Leu CA . 17275 1 1068 . 1 1 84 84 LEU CB C 13 42.361 0.035 . 1 . . . . 84 Leu CB . 17275 1 1069 . 1 1 84 84 LEU CD1 C 13 24.596 0.087 . 2 . . . . 84 Leu CD1 . 17275 1 1070 . 1 1 84 84 LEU CD2 C 13 24.575 0.080 . 2 . . . . 84 Leu CD2 . 17275 1 1071 . 1 1 84 84 LEU CG C 13 27.355 0.042 . 1 . . . . 84 Leu CG . 17275 1 1072 . 1 1 84 84 LEU N N 15 121.131 0.048 . 1 . . . . 84 Leu N . 17275 1 1073 . 1 1 85 85 ALA H H 1 7.977 0.006 . 1 . . . . 85 Ala H . 17275 1 1074 . 1 1 85 85 ALA HA H 1 3.873 0.008 . 1 . . . . 85 Ala HA . 17275 1 1075 . 1 1 85 85 ALA HB1 H 1 1.451 0.007 . 1 . . . . 85 Ala HB1 . 17275 1 1076 . 1 1 85 85 ALA HB2 H 1 1.451 0.007 . 1 . . . . 85 Ala HB2 . 17275 1 1077 . 1 1 85 85 ALA HB3 H 1 1.451 0.007 . 1 . . . . 85 Ala HB3 . 17275 1 1078 . 1 1 85 85 ALA C C 13 180.276 0.012 . 1 . . . . 85 Ala C . 17275 1 1079 . 1 1 85 85 ALA CA C 13 55.254 0.043 . 1 . . . . 85 Ala CA . 17275 1 1080 . 1 1 85 85 ALA CB C 13 17.990 0.022 . 1 . . . . 85 Ala CB . 17275 1 1081 . 1 1 85 85 ALA N N 15 118.714 0.048 . 1 . . . . 85 Ala N . 17275 1 1082 . 1 1 86 86 GLY H H 1 8.365 0.005 . 1 . . . . 86 Gly H . 17275 1 1083 . 1 1 86 86 GLY HA2 H 1 3.886 0.012 . 1 . . . . 86 Gly HA2 . 17275 1 1084 . 1 1 86 86 GLY HA3 H 1 3.886 0.012 . 1 . . . . 86 Gly HA3 . 17275 1 1085 . 1 1 86 86 GLY C C 13 177.225 0.008 . 1 . . . . 86 Gly C . 17275 1 1086 . 1 1 86 86 GLY CA C 13 46.733 0.068 . 1 . . . . 86 Gly CA . 17275 1 1087 . 1 1 86 86 GLY N N 15 104.861 0.030 . 1 . . . . 86 Gly N . 17275 1 1088 . 1 1 87 87 ALA H H 1 7.819 0.004 . 1 . . . . 87 Ala H . 17275 1 1089 . 1 1 87 87 ALA HA H 1 3.847 0.008 . 1 . . . . 87 Ala HA . 17275 1 1090 . 1 1 87 87 ALA HB1 H 1 0.671 0.006 . 1 . . . . 87 Ala HB1 . 17275 1 1091 . 1 1 87 87 ALA HB2 H 1 0.671 0.006 . 1 . . . . 87 Ala HB2 . 17275 1 1092 . 1 1 87 87 ALA HB3 H 1 0.671 0.006 . 1 . . . . 87 Ala HB3 . 17275 1 1093 . 1 1 87 87 ALA C C 13 178.467 0.011 . 1 . . . . 87 Ala C . 17275 1 1094 . 1 1 87 87 ALA CA C 13 54.269 0.050 . 1 . . . . 87 Ala CA . 17275 1 1095 . 1 1 87 87 ALA CB C 13 17.097 0.045 . 1 . . . . 87 Ala CB . 17275 1 1096 . 1 1 87 87 ALA N N 15 125.109 0.069 . 1 . . . . 87 Ala N . 17275 1 1097 . 1 1 88 88 PHE H H 1 7.098 0.006 . 1 . . . . 88 Phe H . 17275 1 1098 . 1 1 88 88 PHE HA H 1 4.293 0.010 . 1 . . . . 88 Phe HA . 17275 1 1099 . 1 1 88 88 PHE HB2 H 1 3.084 0.009 . 2 . . . . 88 Phe HB2 . 17275 1 1100 . 1 1 88 88 PHE HB3 H 1 2.310 0.007 . 2 . . . . 88 Phe HB3 . 17275 1 1101 . 1 1 88 88 PHE HD1 H 1 7.368 0.011 . 3 . . . . 88 Phe HD1 . 17275 1 1102 . 1 1 88 88 PHE HD2 H 1 7.368 0.011 . 3 . . . . 88 Phe HD2 . 17275 1 1103 . 1 1 88 88 PHE HE1 H 1 7.408 0.015 . 3 . . . . 88 Phe HE1 . 17275 1 1104 . 1 1 88 88 PHE HE2 H 1 7.408 0.015 . 3 . . . . 88 Phe HE2 . 17275 1 1105 . 1 1 88 88 PHE HZ H 1 7.786 0.007 . 1 . . . . 88 Phe HZ . 17275 1 1106 . 1 1 88 88 PHE C C 13 175.242 0.012 . 1 . . . . 88 Phe C . 17275 1 1107 . 1 1 88 88 PHE CA C 13 57.954 0.040 . 1 . . . . 88 Phe CA . 17275 1 1108 . 1 1 88 88 PHE CB C 13 40.153 0.017 . 1 . . . . 88 Phe CB . 17275 1 1109 . 1 1 88 88 PHE CD1 C 13 131.975 0.065 . 3 . . . . 88 Phe CD1 . 17275 1 1110 . 1 1 88 88 PHE CD2 C 13 131.975 0.065 . 3 . . . . 88 Phe CD2 . 17275 1 1111 . 1 1 88 88 PHE CE1 C 13 131.316 0.051 . 3 . . . . 88 Phe CE1 . 17275 1 1112 . 1 1 88 88 PHE CE2 C 13 131.316 0.051 . 3 . . . . 88 Phe CE2 . 17275 1 1113 . 1 1 88 88 PHE CZ C 13 128.404 0.003 . 1 . . . . 88 Phe CZ . 17275 1 1114 . 1 1 88 88 PHE N N 15 113.009 0.032 . 1 . . . . 88 Phe N . 17275 1 1115 . 1 1 89 89 GLY H H 1 7.671 0.004 . 1 . . . . 89 Gly H . 17275 1 1116 . 1 1 89 89 GLY HA2 H 1 3.772 0.012 . 1 . . . . 89 Gly HA2 . 17275 1 1117 . 1 1 89 89 GLY HA3 H 1 3.772 0.012 . 1 . . . . 89 Gly HA3 . 17275 1 1118 . 1 1 89 89 GLY C C 13 175.112 0.002 . 1 . . . . 89 Gly C . 17275 1 1119 . 1 1 89 89 GLY CA C 13 46.888 0.071 . 1 . . . . 89 Gly CA . 17275 1 1120 . 1 1 89 89 GLY N N 15 109.183 0.043 . 1 . . . . 89 Gly N . 17275 1 1121 . 1 1 90 90 ILE H H 1 7.578 0.004 . 1 . . . . 90 Ile H . 17275 1 1122 . 1 1 90 90 ILE HA H 1 3.726 0.007 . 1 . . . . 90 Ile HA . 17275 1 1123 . 1 1 90 90 ILE HB H 1 1.739 0.004 . 1 . . . . 90 Ile HB . 17275 1 1124 . 1 1 90 90 ILE HD11 H 1 0.035 0.003 . 1 . . . . 90 Ile HD11 . 17275 1 1125 . 1 1 90 90 ILE HD12 H 1 0.035 0.003 . 1 . . . . 90 Ile HD12 . 17275 1 1126 . 1 1 90 90 ILE HD13 H 1 0.035 0.003 . 1 . . . . 90 Ile HD13 . 17275 1 1127 . 1 1 90 90 ILE HG12 H 1 1.239 0.007 . 2 . . . . 90 Ile HG12 . 17275 1 1128 . 1 1 90 90 ILE HG13 H 1 0.695 0.006 . 2 . . . . 90 Ile HG13 . 17275 1 1129 . 1 1 90 90 ILE HG21 H 1 0.734 0.007 . 1 . . . . 90 Ile HG21 . 17275 1 1130 . 1 1 90 90 ILE HG22 H 1 0.734 0.007 . 1 . . . . 90 Ile HG22 . 17275 1 1131 . 1 1 90 90 ILE HG23 H 1 0.734 0.007 . 1 . . . . 90 Ile HG23 . 17275 1 1132 . 1 1 90 90 ILE C C 13 176.653 0.017 . 1 . . . . 90 Ile C . 17275 1 1133 . 1 1 90 90 ILE CA C 13 60.870 0.049 . 1 . . . . 90 Ile CA . 17275 1 1134 . 1 1 90 90 ILE CB C 13 35.738 0.070 . 1 . . . . 90 Ile CB . 17275 1 1135 . 1 1 90 90 ILE CD1 C 13 10.061 0.008 . 1 . . . . 90 Ile CD1 . 17275 1 1136 . 1 1 90 90 ILE CG1 C 13 27.391 0.030 . 1 . . . . 90 Ile CG1 . 17275 1 1137 . 1 1 90 90 ILE CG2 C 13 17.677 0.070 . 1 . . . . 90 Ile CG2 . 17275 1 1138 . 1 1 90 90 ILE N N 15 117.787 0.042 . 1 . . . . 90 Ile N . 17275 1 1139 . 1 1 91 91 ARG H H 1 8.859 0.009 . 1 . . . . 91 Arg H . 17275 1 1140 . 1 1 91 91 ARG HA H 1 4.504 0.011 . 1 . . . . 91 Arg HA . 17275 1 1141 . 1 1 91 91 ARG HB2 H 1 1.972 0.008 . 2 . . . . 91 Arg HB2 . 17275 1 1142 . 1 1 91 91 ARG HB3 H 1 1.721 0.005 . 2 . . . . 91 Arg HB3 . 17275 1 1143 . 1 1 91 91 ARG HD2 H 1 3.183 0.005 . 1 . . . . 91 Arg HD2 . 17275 1 1144 . 1 1 91 91 ARG HD3 H 1 3.183 0.005 . 1 . . . . 91 Arg HD3 . 17275 1 1145 . 1 1 91 91 ARG HG2 H 1 1.621 0.006 . 1 . . . . 91 Arg HG2 . 17275 1 1146 . 1 1 91 91 ARG HG3 H 1 1.621 0.006 . 1 . . . . 91 Arg HG3 . 17275 1 1147 . 1 1 91 91 ARG C C 13 175.549 0.016 . 1 . . . . 91 Arg C . 17275 1 1148 . 1 1 91 91 ARG CA C 13 55.784 0.048 . 1 . . . . 91 Arg CA . 17275 1 1149 . 1 1 91 91 ARG CB C 13 32.108 0.051 . 1 . . . . 91 Arg CB . 17275 1 1150 . 1 1 91 91 ARG CD C 13 43.028 0.006 . 1 . . . . 91 Arg CD . 17275 1 1151 . 1 1 91 91 ARG CG C 13 26.972 0.019 . 1 . . . . 91 Arg CG . 17275 1 1152 . 1 1 91 91 ARG N N 15 128.212 0.055 . 1 . . . . 91 Arg N . 17275 1 1153 . 1 1 92 92 SER H H 1 7.788 0.014 . 1 . . . . 92 Ser H . 17275 1 1154 . 1 1 92 92 SER HA H 1 4.682 0.011 . 1 . . . . 92 Ser HA . 17275 1 1155 . 1 1 92 92 SER HB2 H 1 3.715 0.008 . 1 . . . . 92 Ser HB2 . 17275 1 1156 . 1 1 92 92 SER HB3 H 1 3.715 0.008 . 1 . . . . 92 Ser HB3 . 17275 1 1157 . 1 1 92 92 SER C C 13 172.045 0.005 . 1 . . . . 92 Ser C . 17275 1 1158 . 1 1 92 92 SER CA C 13 57.558 0.064 . 1 . . . . 92 Ser CA . 17275 1 1159 . 1 1 92 92 SER CB C 13 64.572 0.057 . 1 . . . . 92 Ser CB . 17275 1 1160 . 1 1 92 92 SER N N 15 115.020 0.116 . 1 . . . . 92 Ser N . 17275 1 1161 . 1 1 93 93 ILE H H 1 8.235 0.010 . 1 . . . . 93 Ile H . 17275 1 1162 . 1 1 93 93 ILE HA H 1 4.689 0.004 . 1 . . . . 93 Ile HA . 17275 1 1163 . 1 1 93 93 ILE HB H 1 1.749 0.002 . 1 . . . . 93 Ile HB . 17275 1 1164 . 1 1 93 93 ILE HD11 H 1 0.589 0.005 . 1 . . . . 93 Ile HD11 . 17275 1 1165 . 1 1 93 93 ILE HD12 H 1 0.589 0.005 . 1 . . . . 93 Ile HD12 . 17275 1 1166 . 1 1 93 93 ILE HD13 H 1 0.589 0.005 . 1 . . . . 93 Ile HD13 . 17275 1 1167 . 1 1 93 93 ILE HG12 H 1 1.540 0.004 . 2 . . . . 93 Ile HG12 . 17275 1 1168 . 1 1 93 93 ILE HG13 H 1 1.202 0.006 . 2 . . . . 93 Ile HG13 . 17275 1 1169 . 1 1 93 93 ILE HG21 H 1 0.780 0.003 . 1 . . . . 93 Ile HG21 . 17275 1 1170 . 1 1 93 93 ILE HG22 H 1 0.780 0.003 . 1 . . . . 93 Ile HG22 . 17275 1 1171 . 1 1 93 93 ILE HG23 H 1 0.780 0.003 . 1 . . . . 93 Ile HG23 . 17275 1 1172 . 1 1 93 93 ILE C C 13 173.402 0.000 . 1 . . . . 93 Ile C . 17275 1 1173 . 1 1 93 93 ILE CA C 13 57.565 0.045 . 1 . . . . 93 Ile CA . 17275 1 1174 . 1 1 93 93 ILE CB C 13 40.745 0.038 . 1 . . . . 93 Ile CB . 17275 1 1175 . 1 1 93 93 ILE CD1 C 13 14.818 0.008 . 1 . . . . 93 Ile CD1 . 17275 1 1176 . 1 1 93 93 ILE CG1 C 13 25.237 0.036 . 1 . . . . 93 Ile CG1 . 17275 1 1177 . 1 1 93 93 ILE CG2 C 13 19.064 0.018 . 1 . . . . 93 Ile CG2 . 17275 1 1178 . 1 1 93 93 ILE N N 15 118.277 0.113 . 1 . . . . 93 Ile N . 17275 1 1179 . 1 1 94 94 PRO HA H 1 5.082 0.012 . 1 . . . . 94 Pro HA . 17275 1 1180 . 1 1 94 94 PRO HB2 H 1 1.998 0.008 . 2 . . . . 94 Pro HB2 . 17275 1 1181 . 1 1 94 94 PRO HB3 H 1 2.841 0.008 . 2 . . . . 94 Pro HB3 . 17275 1 1182 . 1 1 94 94 PRO HD2 H 1 3.620 0.007 . 1 . . . . 94 Pro HD2 . 17275 1 1183 . 1 1 94 94 PRO HD3 H 1 3.620 0.006 . 1 . . . . 94 Pro HD3 . 17275 1 1184 . 1 1 94 94 PRO HG2 H 1 1.885 0.006 . 2 . . . . 94 Pro HG2 . 17275 1 1185 . 1 1 94 94 PRO HG3 H 1 1.767 0.010 . 2 . . . . 94 Pro HG3 . 17275 1 1186 . 1 1 94 94 PRO C C 13 177.384 0.000 . 1 . . . . 94 Pro C . 17275 1 1187 . 1 1 94 94 PRO CA C 13 63.174 0.024 . 1 . . . . 94 Pro CA . 17275 1 1188 . 1 1 94 94 PRO CB C 13 34.810 0.025 . 1 . . . . 94 Pro CB . 17275 1 1189 . 1 1 94 94 PRO CD C 13 51.036 0.064 . 1 . . . . 94 Pro CD . 17275 1 1190 . 1 1 94 94 PRO CG C 13 24.680 0.024 . 1 . . . . 94 Pro CG . 17275 1 1191 . 1 1 95 95 SER H H 1 8.607 0.006 . 1 . . . . 95 Ser H . 17275 1 1192 . 1 1 95 95 SER HA H 1 5.342 0.009 . 1 . . . . 95 Ser HA . 17275 1 1193 . 1 1 95 95 SER HB2 H 1 4.257 0.008 . 2 . . . . 95 Ser HB2 . 17275 1 1194 . 1 1 95 95 SER HB3 H 1 3.875 0.007 . 2 . . . . 95 Ser HB3 . 17275 1 1195 . 1 1 95 95 SER C C 13 171.643 0.003 . 1 . . . . 95 Ser C . 17275 1 1196 . 1 1 95 95 SER CA C 13 60.035 0.037 . 1 . . . . 95 Ser CA . 17275 1 1197 . 1 1 95 95 SER CB C 13 67.165 0.020 . 1 . . . . 95 Ser CB . 17275 1 1198 . 1 1 95 95 SER N N 15 120.870 0.062 . 1 . . . . 95 Ser N . 17275 1 1199 . 1 1 96 96 ILE H H 1 9.373 0.007 . 1 . . . . 96 Ile H . 17275 1 1200 . 1 1 96 96 ILE HA H 1 5.149 0.007 . 1 . . . . 96 Ile HA . 17275 1 1201 . 1 1 96 96 ILE HB H 1 1.844 0.009 . 1 . . . . 96 Ile HB . 17275 1 1202 . 1 1 96 96 ILE HD11 H 1 0.954 0.006 . 1 . . . . 96 Ile HD11 . 17275 1 1203 . 1 1 96 96 ILE HD12 H 1 0.954 0.006 . 1 . . . . 96 Ile HD12 . 17275 1 1204 . 1 1 96 96 ILE HD13 H 1 0.954 0.006 . 1 . . . . 96 Ile HD13 . 17275 1 1205 . 1 1 96 96 ILE HG12 H 1 1.508 0.008 . 2 . . . . 96 Ile HG12 . 17275 1 1206 . 1 1 96 96 ILE HG13 H 1 1.363 0.007 . 2 . . . . 96 Ile HG13 . 17275 1 1207 . 1 1 96 96 ILE HG21 H 1 0.353 0.006 . 1 . . . . 96 Ile HG21 . 17275 1 1208 . 1 1 96 96 ILE HG22 H 1 0.353 0.006 . 1 . . . . 96 Ile HG22 . 17275 1 1209 . 1 1 96 96 ILE HG23 H 1 0.353 0.006 . 1 . . . . 96 Ile HG23 . 17275 1 1210 . 1 1 96 96 ILE C C 13 173.631 0.023 . 1 . . . . 96 Ile C . 17275 1 1211 . 1 1 96 96 ILE CA C 13 59.185 0.029 . 1 . . . . 96 Ile CA . 17275 1 1212 . 1 1 96 96 ILE CB C 13 39.791 0.044 . 1 . . . . 96 Ile CB . 17275 1 1213 . 1 1 96 96 ILE CD1 C 13 13.270 0.012 . 1 . . . . 96 Ile CD1 . 17275 1 1214 . 1 1 96 96 ILE CG1 C 13 27.556 0.032 . 1 . . . . 96 Ile CG1 . 17275 1 1215 . 1 1 96 96 ILE CG2 C 13 20.292 0.031 . 1 . . . . 96 Ile CG2 . 17275 1 1216 . 1 1 96 96 ILE N N 15 125.784 0.040 . 1 . . . . 96 Ile N . 17275 1 1217 . 1 1 97 97 LEU H H 1 9.412 0.008 . 1 . . . . 97 Leu H . 17275 1 1218 . 1 1 97 97 LEU HA H 1 5.145 0.009 . 1 . . . . 97 Leu HA . 17275 1 1219 . 1 1 97 97 LEU HB2 H 1 1.985 0.009 . 2 . . . . 97 Leu HB2 . 17275 1 1220 . 1 1 97 97 LEU HB3 H 1 1.539 0.008 . 2 . . . . 97 Leu HB3 . 17275 1 1221 . 1 1 97 97 LEU HD11 H 1 0.886 0.008 . 2 . . . . 97 Leu HD11 . 17275 1 1222 . 1 1 97 97 LEU HD12 H 1 0.886 0.008 . 2 . . . . 97 Leu HD12 . 17275 1 1223 . 1 1 97 97 LEU HD13 H 1 0.886 0.008 . 2 . . . . 97 Leu HD13 . 17275 1 1224 . 1 1 97 97 LEU HD21 H 1 0.831 0.007 . 2 . . . . 97 Leu HD21 . 17275 1 1225 . 1 1 97 97 LEU HD22 H 1 0.831 0.007 . 2 . . . . 97 Leu HD22 . 17275 1 1226 . 1 1 97 97 LEU HD23 H 1 0.831 0.007 . 2 . . . . 97 Leu HD23 . 17275 1 1227 . 1 1 97 97 LEU HG H 1 1.483 0.007 . 1 . . . . 97 Leu HG . 17275 1 1228 . 1 1 97 97 LEU C C 13 175.266 0.006 . 1 . . . . 97 Leu C . 17275 1 1229 . 1 1 97 97 LEU CA C 13 53.571 0.044 . 1 . . . . 97 Leu CA . 17275 1 1230 . 1 1 97 97 LEU CB C 13 46.344 0.023 . 1 . . . . 97 Leu CB . 17275 1 1231 . 1 1 97 97 LEU CD1 C 13 26.340 0.025 . 2 . . . . 97 Leu CD1 . 17275 1 1232 . 1 1 97 97 LEU CD2 C 13 23.649 0.026 . 2 . . . . 97 Leu CD2 . 17275 1 1233 . 1 1 97 97 LEU CG C 13 27.294 0.000 . 1 . . . . 97 Leu CG . 17275 1 1234 . 1 1 97 97 LEU N N 15 129.182 0.037 . 1 . . . . 97 Leu N . 17275 1 1235 . 1 1 98 98 PHE H H 1 9.544 0.008 . 1 . . . . 98 Phe H . 17275 1 1236 . 1 1 98 98 PHE HA H 1 4.884 0.009 . 1 . . . . 98 Phe HA . 17275 1 1237 . 1 1 98 98 PHE HB2 H 1 3.343 0.008 . 2 . . . . 98 Phe HB2 . 17275 1 1238 . 1 1 98 98 PHE HB3 H 1 3.008 0.009 . 2 . . . . 98 Phe HB3 . 17275 1 1239 . 1 1 98 98 PHE HD1 H 1 7.200 0.008 . 3 . . . . 98 Phe HD1 . 17275 1 1240 . 1 1 98 98 PHE HD2 H 1 7.200 0.008 . 3 . . . . 98 Phe HD2 . 17275 1 1241 . 1 1 98 98 PHE HE1 H 1 7.342 0.015 . 3 . . . . 98 Phe HE1 . 17275 1 1242 . 1 1 98 98 PHE HE2 H 1 7.342 0.015 . 3 . . . . 98 Phe HE2 . 17275 1 1243 . 1 1 98 98 PHE HZ H 1 6.942 0.006 . 1 . . . . 98 Phe HZ . 17275 1 1244 . 1 1 98 98 PHE C C 13 174.681 0.008 . 1 . . . . 98 Phe C . 17275 1 1245 . 1 1 98 98 PHE CA C 13 57.907 0.037 . 1 . . . . 98 Phe CA . 17275 1 1246 . 1 1 98 98 PHE CB C 13 40.516 0.023 . 1 . . . . 98 Phe CB . 17275 1 1247 . 1 1 98 98 PHE CD1 C 13 132.005 0.033 . 3 . . . . 98 Phe CD1 . 17275 1 1248 . 1 1 98 98 PHE CD2 C 13 132.005 0.033 . 3 . . . . 98 Phe CD2 . 17275 1 1249 . 1 1 98 98 PHE CE1 C 13 131.922 0.038 . 3 . . . . 98 Phe CE1 . 17275 1 1250 . 1 1 98 98 PHE CE2 C 13 131.922 0.038 . 3 . . . . 98 Phe CE2 . 17275 1 1251 . 1 1 98 98 PHE CZ C 13 128.910 0.025 . 1 . . . . 98 Phe CZ . 17275 1 1252 . 1 1 98 98 PHE N N 15 125.352 0.083 . 1 . . . . 98 Phe N . 17275 1 1253 . 1 1 99 99 ILE H H 1 9.527 0.007 . 1 . . . . 99 Ile H . 17275 1 1254 . 1 1 99 99 ILE HA H 1 4.393 0.004 . 1 . . . . 99 Ile HA . 17275 1 1255 . 1 1 99 99 ILE HB H 1 1.702 0.009 . 1 . . . . 99 Ile HB . 17275 1 1256 . 1 1 99 99 ILE HD11 H 1 0.967 0.004 . 1 . . . . 99 Ile HD11 . 17275 1 1257 . 1 1 99 99 ILE HD12 H 1 0.967 0.004 . 1 . . . . 99 Ile HD12 . 17275 1 1258 . 1 1 99 99 ILE HD13 H 1 0.967 0.004 . 1 . . . . 99 Ile HD13 . 17275 1 1259 . 1 1 99 99 ILE HG21 H 1 0.391 0.006 . 1 . . . . 99 Ile HG21 . 17275 1 1260 . 1 1 99 99 ILE HG22 H 1 0.391 0.006 . 1 . . . . 99 Ile HG22 . 17275 1 1261 . 1 1 99 99 ILE HG23 H 1 0.391 0.006 . 1 . . . . 99 Ile HG23 . 17275 1 1262 . 1 1 99 99 ILE C C 13 172.258 0.000 . 1 . . . . 99 Ile C . 17275 1 1263 . 1 1 99 99 ILE CA C 13 58.761 0.019 . 1 . . . . 99 Ile CA . 17275 1 1264 . 1 1 99 99 ILE CB C 13 40.353 0.060 . 1 . . . . 99 Ile CB . 17275 1 1265 . 1 1 99 99 ILE CD1 C 13 16.244 0.017 . 1 . . . . 99 Ile CD1 . 17275 1 1266 . 1 1 99 99 ILE CG2 C 13 17.342 0.015 . 1 . . . . 99 Ile CG2 . 17275 1 1267 . 1 1 99 99 ILE N N 15 125.043 0.043 . 1 . . . . 99 Ile N . 17275 1 1268 . 1 1 100 100 PRO HA H 1 4.548 0.010 . 1 . . . . 100 Pro HA . 17275 1 1269 . 1 1 100 100 PRO HB2 H 1 2.002 0.012 . 2 . . . . 100 Pro HB2 . 17275 1 1270 . 1 1 100 100 PRO HB3 H 1 1.432 0.007 . 2 . . . . 100 Pro HB3 . 17275 1 1271 . 1 1 100 100 PRO HD2 H 1 3.743 0.008 . 2 . . . . 100 Pro HD2 . 17275 1 1272 . 1 1 100 100 PRO HD3 H 1 3.344 0.005 . 2 . . . . 100 Pro HD3 . 17275 1 1273 . 1 1 100 100 PRO HG2 H 1 1.546 0.007 . 2 . . . . 100 Pro HG2 . 17275 1 1274 . 1 1 100 100 PRO HG3 H 1 1.445 0.006 . 2 . . . . 100 Pro HG3 . 17275 1 1275 . 1 1 100 100 PRO C C 13 175.170 0.011 . 1 . . . . 100 Pro C . 17275 1 1276 . 1 1 100 100 PRO CA C 13 61.350 0.049 . 1 . . . . 100 Pro CA . 17275 1 1277 . 1 1 100 100 PRO CB C 13 32.102 0.037 . 1 . . . . 100 Pro CB . 17275 1 1278 . 1 1 100 100 PRO CD C 13 50.353 0.031 . 1 . . . . 100 Pro CD . 17275 1 1279 . 1 1 100 100 PRO CG C 13 25.558 0.004 . 1 . . . . 100 Pro CG . 17275 1 1280 . 1 1 101 101 MET H H 1 8.748 0.008 . 1 . . . . 101 Met H . 17275 1 1281 . 1 1 101 101 MET HA H 1 4.591 0.013 . 1 . . . . 101 Met HA . 17275 1 1282 . 1 1 101 101 MET HB2 H 1 2.209 0.008 . 2 . . . . 101 Met HB2 . 17275 1 1283 . 1 1 101 101 MET HB3 H 1 2.044 0.000 . 2 . . . . 101 Met HB3 . 17275 1 1284 . 1 1 101 101 MET HE1 H 1 2.098 0.005 . 1 . . . . 101 Met HE1 . 17275 1 1285 . 1 1 101 101 MET HE2 H 1 2.098 0.005 . 1 . . . . 101 Met HE2 . 17275 1 1286 . 1 1 101 101 MET HE3 H 1 2.098 0.005 . 1 . . . . 101 Met HE3 . 17275 1 1287 . 1 1 101 101 MET HG2 H 1 2.920 0.006 . 2 . . . . 101 Met HG2 . 17275 1 1288 . 1 1 101 101 MET HG3 H 1 2.394 0.006 . 2 . . . . 101 Met HG3 . 17275 1 1289 . 1 1 101 101 MET C C 13 177.420 0.016 . 1 . . . . 101 Met C . 17275 1 1290 . 1 1 101 101 MET CA C 13 56.036 0.038 . 1 . . . . 101 Met CA . 17275 1 1291 . 1 1 101 101 MET CB C 13 30.256 0.057 . 1 . . . . 101 Met CB . 17275 1 1292 . 1 1 101 101 MET CE C 13 15.114 0.004 . 1 . . . . 101 Met CE . 17275 1 1293 . 1 1 101 101 MET CG C 13 32.026 0.031 . 1 . . . . 101 Met CG . 17275 1 1294 . 1 1 101 101 MET N N 15 114.638 0.067 . 1 . . . . 101 Met N . 17275 1 1295 . 1 1 102 102 GLU H H 1 7.654 0.004 . 1 . . . . 102 Glu H . 17275 1 1296 . 1 1 102 102 GLU HA H 1 4.670 0.007 . 1 . . . . 102 Glu HA . 17275 1 1297 . 1 1 102 102 GLU HB2 H 1 2.028 0.010 . 2 . . . . 102 Glu HB2 . 17275 1 1298 . 1 1 102 102 GLU HB3 H 1 1.934 0.011 . 2 . . . . 102 Glu HB3 . 17275 1 1299 . 1 1 102 102 GLU HG2 H 1 2.241 0.007 . 1 . . . . 102 Glu HG2 . 17275 1 1300 . 1 1 102 102 GLU HG3 H 1 2.241 0.007 . 1 . . . . 102 Glu HG3 . 17275 1 1301 . 1 1 102 102 GLU C C 13 175.408 0.012 . 1 . . . . 102 Glu C . 17275 1 1302 . 1 1 102 102 GLU CA C 13 55.359 0.060 . 1 . . . . 102 Glu CA . 17275 1 1303 . 1 1 102 102 GLU CB C 13 32.472 0.017 . 1 . . . . 102 Glu CB . 17275 1 1304 . 1 1 102 102 GLU CG C 13 36.301 0.000 . 1 . . . . 102 Glu CG . 17275 1 1305 . 1 1 102 102 GLU N N 15 115.593 0.030 . 1 . . . . 102 Glu N . 17275 1 1306 . 1 1 103 103 GLY H H 1 8.486 0.004 . 1 . . . . 103 Gly H . 17275 1 1307 . 1 1 103 103 GLY HA2 H 1 3.866 0.006 . 2 . . . . 103 Gly HA2 . 17275 1 1308 . 1 1 103 103 GLY HA3 H 1 4.364 0.011 . 2 . . . . 103 Gly HA3 . 17275 1 1309 . 1 1 103 103 GLY C C 13 172.865 0.012 . 1 . . . . 103 Gly C . 17275 1 1310 . 1 1 103 103 GLY CA C 13 43.548 0.060 . 1 . . . . 103 Gly CA . 17275 1 1311 . 1 1 103 103 GLY N N 15 110.624 0.029 . 1 . . . . 103 Gly N . 17275 1 1312 . 1 1 104 104 LYS H H 1 8.113 0.005 . 1 . . . . 104 Lys H . 17275 1 1313 . 1 1 104 104 LYS HA H 1 4.079 0.005 . 1 . . . . 104 Lys HA . 17275 1 1314 . 1 1 104 104 LYS HB2 H 1 1.727 0.007 . 1 . . . . 104 Lys HB2 . 17275 1 1315 . 1 1 104 104 LYS HB3 H 1 1.726 0.007 . 1 . . . . 104 Lys HB3 . 17275 1 1316 . 1 1 104 104 LYS HD2 H 1 1.760 0.002 . 1 . . . . 104 Lys HD2 . 17275 1 1317 . 1 1 104 104 LYS HD3 H 1 1.754 0.008 . 1 . . . . 104 Lys HD3 . 17275 1 1318 . 1 1 104 104 LYS HE2 H 1 3.106 0.004 . 1 . . . . 104 Lys HE2 . 17275 1 1319 . 1 1 104 104 LYS HE3 H 1 3.106 0.004 . 1 . . . . 104 Lys HE3 . 17275 1 1320 . 1 1 104 104 LYS HG2 H 1 1.543 0.005 . 1 . . . . 104 Lys HG2 . 17275 1 1321 . 1 1 104 104 LYS HG3 H 1 1.543 0.005 . 1 . . . . 104 Lys HG3 . 17275 1 1322 . 1 1 104 104 LYS C C 13 174.526 0.000 . 1 . . . . 104 Lys C . 17275 1 1323 . 1 1 104 104 LYS CA C 13 54.457 0.026 . 1 . . . . 104 Lys CA . 17275 1 1324 . 1 1 104 104 LYS CB C 13 32.137 0.033 . 1 . . . . 104 Lys CB . 17275 1 1325 . 1 1 104 104 LYS CD C 13 29.245 0.000 . 1 . . . . 104 Lys CD . 17275 1 1326 . 1 1 104 104 LYS CE C 13 42.005 0.000 . 1 . . . . 104 Lys CE . 17275 1 1327 . 1 1 104 104 LYS CG C 13 25.411 0.000 . 1 . . . . 104 Lys CG . 17275 1 1328 . 1 1 104 104 LYS N N 15 118.915 0.041 . 1 . . . . 104 Lys N . 17275 1 1329 . 1 1 105 105 PRO HA H 1 4.829 0.009 . 1 . . . . 105 Pro HA . 17275 1 1330 . 1 1 105 105 PRO HB2 H 1 1.635 0.008 . 2 . . . . 105 Pro HB2 . 17275 1 1331 . 1 1 105 105 PRO HB3 H 1 1.513 0.006 . 2 . . . . 105 Pro HB3 . 17275 1 1332 . 1 1 105 105 PRO HD2 H 1 2.759 0.006 . 2 . . . . 105 Pro HD2 . 17275 1 1333 . 1 1 105 105 PRO HD3 H 1 1.932 0.007 . 2 . . . . 105 Pro HD3 . 17275 1 1334 . 1 1 105 105 PRO HG2 H 1 0.803 0.009 . 2 . . . . 105 Pro HG2 . 17275 1 1335 . 1 1 105 105 PRO HG3 H 1 0.125 0.008 . 2 . . . . 105 Pro HG3 . 17275 1 1336 . 1 1 105 105 PRO C C 13 175.756 0.024 . 1 . . . . 105 Pro C . 17275 1 1337 . 1 1 105 105 PRO CA C 13 62.253 0.014 . 1 . . . . 105 Pro CA . 17275 1 1338 . 1 1 105 105 PRO CB C 13 34.104 0.040 . 1 . . . . 105 Pro CB . 17275 1 1339 . 1 1 105 105 PRO CD C 13 48.758 0.027 . 1 . . . . 105 Pro CD . 17275 1 1340 . 1 1 105 105 PRO CG C 13 25.887 0.029 . 1 . . . . 105 Pro CG . 17275 1 1341 . 1 1 106 106 GLU H H 1 8.497 0.005 . 1 . . . . 106 Glu H . 17275 1 1342 . 1 1 106 106 GLU HA H 1 4.595 0.007 . 1 . . . . 106 Glu HA . 17275 1 1343 . 1 1 106 106 GLU HB2 H 1 1.760 0.011 . 2 . . . . 106 Glu HB2 . 17275 1 1344 . 1 1 106 106 GLU HB3 H 1 1.471 0.006 . 2 . . . . 106 Glu HB3 . 17275 1 1345 . 1 1 106 106 GLU HG2 H 1 1.900 0.008 . 2 . . . . 106 Glu HG2 . 17275 1 1346 . 1 1 106 106 GLU HG3 H 1 1.827 0.005 . 2 . . . . 106 Glu HG3 . 17275 1 1347 . 1 1 106 106 GLU C C 13 174.435 0.018 . 1 . . . . 106 Glu C . 17275 1 1348 . 1 1 106 106 GLU CA C 13 54.917 0.051 . 1 . . . . 106 Glu CA . 17275 1 1349 . 1 1 106 106 GLU CB C 13 33.370 0.029 . 1 . . . . 106 Glu CB . 17275 1 1350 . 1 1 106 106 GLU CG C 13 35.661 0.010 . 1 . . . . 106 Glu CG . 17275 1 1351 . 1 1 106 106 GLU N N 15 118.848 0.080 . 1 . . . . 106 Glu N . 17275 1 1352 . 1 1 107 107 MET H H 1 8.826 0.006 . 1 . . . . 107 Met H . 17275 1 1353 . 1 1 107 107 MET HA H 1 5.485 0.008 . 1 . . . . 107 Met HA . 17275 1 1354 . 1 1 107 107 MET HB2 H 1 2.161 0.008 . 2 . . . . 107 Met HB2 . 17275 1 1355 . 1 1 107 107 MET HB3 H 1 1.815 0.005 . 2 . . . . 107 Met HB3 . 17275 1 1356 . 1 1 107 107 MET HE1 H 1 1.983 0.003 . 1 . . . . 107 Met HE1 . 17275 1 1357 . 1 1 107 107 MET HE2 H 1 1.983 0.003 . 1 . . . . 107 Met HE2 . 17275 1 1358 . 1 1 107 107 MET HE3 H 1 1.983 0.003 . 1 . . . . 107 Met HE3 . 17275 1 1359 . 1 1 107 107 MET HG2 H 1 2.500 0.006 . 2 . . . . 107 Met HG2 . 17275 1 1360 . 1 1 107 107 MET HG3 H 1 2.290 0.004 . 2 . . . . 107 Met HG3 . 17275 1 1361 . 1 1 107 107 MET C C 13 175.214 0.010 . 1 . . . . 107 Met C . 17275 1 1362 . 1 1 107 107 MET CA C 13 53.927 0.038 . 1 . . . . 107 Met CA . 17275 1 1363 . 1 1 107 107 MET CB C 13 35.404 0.022 . 1 . . . . 107 Met CB . 17275 1 1364 . 1 1 107 107 MET CE C 13 17.978 0.006 . 1 . . . . 107 Met CE . 17275 1 1365 . 1 1 107 107 MET CG C 13 31.999 0.016 . 1 . . . . 107 Met CG . 17275 1 1366 . 1 1 107 107 MET N N 15 125.320 0.078 . 1 . . . . 107 Met N . 17275 1 1367 . 1 1 108 108 ALA H H 1 9.792 0.006 . 1 . . . . 108 Ala H . 17275 1 1368 . 1 1 108 108 ALA HA H 1 4.809 0.008 . 1 . . . . 108 Ala HA . 17275 1 1369 . 1 1 108 108 ALA HB1 H 1 1.497 0.007 . 1 . . . . 108 Ala HB1 . 17275 1 1370 . 1 1 108 108 ALA HB2 H 1 1.497 0.007 . 1 . . . . 108 Ala HB2 . 17275 1 1371 . 1 1 108 108 ALA HB3 H 1 1.497 0.007 . 1 . . . . 108 Ala HB3 . 17275 1 1372 . 1 1 108 108 ALA C C 13 176.261 0.025 . 1 . . . . 108 Ala C . 17275 1 1373 . 1 1 108 108 ALA CA C 13 50.774 0.074 . 1 . . . . 108 Ala CA . 17275 1 1374 . 1 1 108 108 ALA CB C 13 22.019 0.017 . 1 . . . . 108 Ala CB . 17275 1 1375 . 1 1 108 108 ALA N N 15 132.638 0.121 . 1 . . . . 108 Ala N . 17275 1 1376 . 1 1 109 109 GLN H H 1 8.634 0.005 . 1 . . . . 109 Gln H . 17275 1 1377 . 1 1 109 109 GLN HA H 1 4.967 0.011 . 1 . . . . 109 Gln HA . 17275 1 1378 . 1 1 109 109 GLN HB2 H 1 2.081 0.006 . 2 . . . . 109 Gln HB2 . 17275 1 1379 . 1 1 109 109 GLN HB3 H 1 1.969 0.010 . 2 . . . . 109 Gln HB3 . 17275 1 1380 . 1 1 109 109 GLN HE21 H 1 7.414 0.012 . 1 . . . . 109 Gln HE21 . 17275 1 1381 . 1 1 109 109 GLN HE22 H 1 6.837 0.003 . 1 . . . . 109 Gln HE22 . 17275 1 1382 . 1 1 109 109 GLN HG2 H 1 2.325 0.011 . 2 . . . . 109 Gln HG2 . 17275 1 1383 . 1 1 109 109 GLN HG3 H 1 2.320 0.010 . 2 . . . . 109 Gln HG3 . 17275 1 1384 . 1 1 109 109 GLN C C 13 176.157 0.023 . 1 . . . . 109 Gln C . 17275 1 1385 . 1 1 109 109 GLN CA C 13 55.349 0.061 . 1 . . . . 109 Gln CA . 17275 1 1386 . 1 1 109 109 GLN CB C 13 31.218 0.021 . 1 . . . . 109 Gln CB . 17275 1 1387 . 1 1 109 109 GLN CG C 13 34.377 0.003 . 1 . . . . 109 Gln CG . 17275 1 1388 . 1 1 109 109 GLN N N 15 120.503 0.039 . 1 . . . . 109 Gln N . 17275 1 1389 . 1 1 109 109 GLN NE2 N 15 111.635 0.112 . 1 . . . . 109 Gln NE2 . 17275 1 1390 . 1 1 110 110 GLY H H 1 7.992 0.005 . 1 . . . . 110 Gly H . 17275 1 1391 . 1 1 110 110 GLY HA2 H 1 3.645 0.008 . 2 . . . . 110 Gly HA2 . 17275 1 1392 . 1 1 110 110 GLY HA3 H 1 4.373 0.010 . 2 . . . . 110 Gly HA3 . 17275 1 1393 . 1 1 110 110 GLY C C 13 172.111 0.010 . 1 . . . . 110 Gly C . 17275 1 1394 . 1 1 110 110 GLY CA C 13 43.978 0.053 . 1 . . . . 110 Gly CA . 17275 1 1395 . 1 1 110 110 GLY N N 15 110.217 0.046 . 1 . . . . 110 Gly N . 17275 1 1396 . 1 1 111 111 ALA H H 1 8.321 0.008 . 1 . . . . 111 Ala H . 17275 1 1397 . 1 1 111 111 ALA HA H 1 4.074 0.009 . 1 . . . . 111 Ala HA . 17275 1 1398 . 1 1 111 111 ALA HB1 H 1 1.415 0.007 . 1 . . . . 111 Ala HB1 . 17275 1 1399 . 1 1 111 111 ALA HB2 H 1 1.415 0.007 . 1 . . . . 111 Ala HB2 . 17275 1 1400 . 1 1 111 111 ALA HB3 H 1 1.415 0.007 . 1 . . . . 111 Ala HB3 . 17275 1 1401 . 1 1 111 111 ALA C C 13 176.465 0.015 . 1 . . . . 111 Ala C . 17275 1 1402 . 1 1 111 111 ALA CA C 13 52.302 0.035 . 1 . . . . 111 Ala CA . 17275 1 1403 . 1 1 111 111 ALA CB C 13 19.051 0.011 . 1 . . . . 111 Ala CB . 17275 1 1404 . 1 1 111 111 ALA N N 15 118.978 0.063 . 1 . . . . 111 Ala N . 17275 1 1405 . 1 1 112 112 MET H H 1 6.803 0.004 . 1 . . . . 112 Met H . 17275 1 1406 . 1 1 112 112 MET HA H 1 4.813 0.005 . 1 . . . . 112 Met HA . 17275 1 1407 . 1 1 112 112 MET HB2 H 1 1.821 0.008 . 2 . . . . 112 Met HB2 . 17275 1 1408 . 1 1 112 112 MET HB3 H 1 1.629 0.004 . 2 . . . . 112 Met HB3 . 17275 1 1409 . 1 1 112 112 MET HE1 H 1 1.448 0.006 . 1 . . . . 112 Met HE1 . 17275 1 1410 . 1 1 112 112 MET HE2 H 1 1.448 0.006 . 1 . . . . 112 Met HE2 . 17275 1 1411 . 1 1 112 112 MET HE3 H 1 1.448 0.006 . 1 . . . . 112 Met HE3 . 17275 1 1412 . 1 1 112 112 MET HG2 H 1 2.013 0.010 . 1 . . . . 112 Met HG2 . 17275 1 1413 . 1 1 112 112 MET HG3 H 1 2.012 0.009 . 1 . . . . 112 Met HG3 . 17275 1 1414 . 1 1 112 112 MET C C 13 172.766 0.000 . 1 . . . . 112 Met C . 17275 1 1415 . 1 1 112 112 MET CA C 13 53.397 0.030 . 1 . . . . 112 Met CA . 17275 1 1416 . 1 1 112 112 MET CB C 13 34.475 0.072 . 1 . . . . 112 Met CB . 17275 1 1417 . 1 1 112 112 MET CE C 13 16.200 0.006 . 1 . . . . 112 Met CE . 17275 1 1418 . 1 1 112 112 MET CG C 13 31.347 0.066 . 1 . . . . 112 Met CG . 17275 1 1419 . 1 1 112 112 MET N N 15 118.023 0.049 . 1 . . . . 112 Met N . 17275 1 1420 . 1 1 113 113 PRO HA H 1 4.758 0.009 . 1 . . . . 113 Pro HA . 17275 1 1421 . 1 1 113 113 PRO HB2 H 1 2.520 0.005 . 2 . . . . 113 Pro HB2 . 17275 1 1422 . 1 1 113 113 PRO HB3 H 1 2.173 0.010 . 2 . . . . 113 Pro HB3 . 17275 1 1423 . 1 1 113 113 PRO HD2 H 1 3.827 0.005 . 2 . . . . 113 Pro HD2 . 17275 1 1424 . 1 1 113 113 PRO HD3 H 1 3.659 0.008 . 2 . . . . 113 Pro HD3 . 17275 1 1425 . 1 1 113 113 PRO HG2 H 1 2.139 0.006 . 2 . . . . 113 Pro HG2 . 17275 1 1426 . 1 1 113 113 PRO HG3 H 1 2.035 0.004 . 2 . . . . 113 Pro HG3 . 17275 1 1427 . 1 1 113 113 PRO C C 13 178.005 0.000 . 1 . . . . 113 Pro C . 17275 1 1428 . 1 1 113 113 PRO CA C 13 61.897 0.017 . 1 . . . . 113 Pro CA . 17275 1 1429 . 1 1 113 113 PRO CB C 13 32.674 0.037 . 1 . . . . 113 Pro CB . 17275 1 1430 . 1 1 113 113 PRO CD C 13 50.425 0.030 . 1 . . . . 113 Pro CD . 17275 1 1431 . 1 1 113 113 PRO CG C 13 27.626 0.019 . 1 . . . . 113 Pro CG . 17275 1 1432 . 1 1 114 114 LYS H H 1 9.500 0.006 . 1 . . . . 114 Lys H . 17275 1 1433 . 1 1 114 114 LYS HA H 1 4.083 0.007 . 1 . . . . 114 Lys HA . 17275 1 1434 . 1 1 114 114 LYS HB2 H 1 2.024 0.007 . 2 . . . . 114 Lys HB2 . 17275 1 1435 . 1 1 114 114 LYS HB3 H 1 1.927 0.000 . 2 . . . . 114 Lys HB3 . 17275 1 1436 . 1 1 114 114 LYS HD2 H 1 1.821 0.006 . 1 . . . . 114 Lys HD2 . 17275 1 1437 . 1 1 114 114 LYS HD3 H 1 1.822 0.006 . 1 . . . . 114 Lys HD3 . 17275 1 1438 . 1 1 114 114 LYS HE2 H 1 2.949 0.008 . 2 . . . . 114 Lys HE2 . 17275 1 1439 . 1 1 114 114 LYS HE3 H 1 2.784 0.005 . 2 . . . . 114 Lys HE3 . 17275 1 1440 . 1 1 114 114 LYS HG2 H 1 1.590 0.008 . 2 . . . . 114 Lys HG2 . 17275 1 1441 . 1 1 114 114 LYS HG3 H 1 1.253 0.006 . 2 . . . . 114 Lys HG3 . 17275 1 1442 . 1 1 114 114 LYS C C 13 178.461 0.036 . 1 . . . . 114 Lys C . 17275 1 1443 . 1 1 114 114 LYS CA C 13 61.735 0.030 . 1 . . . . 114 Lys CA . 17275 1 1444 . 1 1 114 114 LYS CB C 13 32.453 0.078 . 1 . . . . 114 Lys CB . 17275 1 1445 . 1 1 114 114 LYS CD C 13 29.829 0.000 . 1 . . . . 114 Lys CD . 17275 1 1446 . 1 1 114 114 LYS CE C 13 42.112 0.011 . 1 . . . . 114 Lys CE . 17275 1 1447 . 1 1 114 114 LYS CG C 13 26.190 0.033 . 1 . . . . 114 Lys CG . 17275 1 1448 . 1 1 114 114 LYS N N 15 123.780 0.043 . 1 . . . . 114 Lys N . 17275 1 1449 . 1 1 115 115 ALA H H 1 9.161 0.005 . 1 . . . . 115 Ala H . 17275 1 1450 . 1 1 115 115 ALA HA H 1 4.183 0.011 . 1 . . . . 115 Ala HA . 17275 1 1451 . 1 1 115 115 ALA HB1 H 1 1.512 0.008 . 1 . . . . 115 Ala HB1 . 17275 1 1452 . 1 1 115 115 ALA HB2 H 1 1.512 0.008 . 1 . . . . 115 Ala HB2 . 17275 1 1453 . 1 1 115 115 ALA HB3 H 1 1.512 0.008 . 1 . . . . 115 Ala HB3 . 17275 1 1454 . 1 1 115 115 ALA C C 13 180.970 0.001 . 1 . . . . 115 Ala C . 17275 1 1455 . 1 1 115 115 ALA CA C 13 55.596 0.042 . 1 . . . . 115 Ala CA . 17275 1 1456 . 1 1 115 115 ALA CB C 13 18.535 0.049 . 1 . . . . 115 Ala CB . 17275 1 1457 . 1 1 115 115 ALA N N 15 118.171 0.040 . 1 . . . . 115 Ala N . 17275 1 1458 . 1 1 116 116 SER H H 1 7.425 0.005 . 1 . . . . 116 Ser H . 17275 1 1459 . 1 1 116 116 SER HA H 1 4.346 0.010 . 1 . . . . 116 Ser HA . 17275 1 1460 . 1 1 116 116 SER HB2 H 1 3.946 0.008 . 2 . . . . 116 Ser HB2 . 17275 1 1461 . 1 1 116 116 SER HB3 H 1 3.848 0.004 . 2 . . . . 116 Ser HB3 . 17275 1 1462 . 1 1 116 116 SER C C 13 177.422 0.000 . 1 . . . . 116 Ser C . 17275 1 1463 . 1 1 116 116 SER CA C 13 61.799 0.073 . 1 . . . . 116 Ser CA . 17275 1 1464 . 1 1 116 116 SER CB C 13 62.700 0.034 . 1 . . . . 116 Ser CB . 17275 1 1465 . 1 1 116 116 SER N N 15 113.825 0.049 . 1 . . . . 116 Ser N . 17275 1 1466 . 1 1 117 117 PHE H H 1 7.803 0.006 . 1 . . . . 117 Phe H . 17275 1 1467 . 1 1 117 117 PHE HA H 1 4.153 0.008 . 1 . . . . 117 Phe HA . 17275 1 1468 . 1 1 117 117 PHE HB2 H 1 3.390 0.010 . 2 . . . . 117 Phe HB2 . 17275 1 1469 . 1 1 117 117 PHE HB3 H 1 2.840 0.008 . 2 . . . . 117 Phe HB3 . 17275 1 1470 . 1 1 117 117 PHE HD1 H 1 7.208 0.009 . 3 . . . . 117 Phe HD1 . 17275 1 1471 . 1 1 117 117 PHE HD2 H 1 7.208 0.009 . 3 . . . . 117 Phe HD2 . 17275 1 1472 . 1 1 117 117 PHE HE1 H 1 7.109 0.009 . 3 . . . . 117 Phe HE1 . 17275 1 1473 . 1 1 117 117 PHE HE2 H 1 7.109 0.009 . 3 . . . . 117 Phe HE2 . 17275 1 1474 . 1 1 117 117 PHE HZ H 1 6.878 0.006 . 1 . . . . 117 Phe HZ . 17275 1 1475 . 1 1 117 117 PHE C C 13 177.964 0.014 . 1 . . . . 117 Phe C . 17275 1 1476 . 1 1 117 117 PHE CA C 13 63.258 0.036 . 1 . . . . 117 Phe CA . 17275 1 1477 . 1 1 117 117 PHE CB C 13 40.912 0.048 . 1 . . . . 117 Phe CB . 17275 1 1478 . 1 1 117 117 PHE CD1 C 13 131.900 0.041 . 3 . . . . 117 Phe CD1 . 17275 1 1479 . 1 1 117 117 PHE CD2 C 13 131.900 0.041 . 3 . . . . 117 Phe CD2 . 17275 1 1480 . 1 1 117 117 PHE CE1 C 13 130.917 0.032 . 3 . . . . 117 Phe CE1 . 17275 1 1481 . 1 1 117 117 PHE CE2 C 13 130.917 0.032 . 3 . . . . 117 Phe CE2 . 17275 1 1482 . 1 1 117 117 PHE CZ C 13 129.062 0.089 . 1 . . . . 117 Phe CZ . 17275 1 1483 . 1 1 117 117 PHE N N 15 121.889 0.056 . 1 . . . . 117 Phe N . 17275 1 1484 . 1 1 118 118 LYS H H 1 8.599 0.010 . 1 . . . . 118 Lys H . 17275 1 1485 . 1 1 118 118 LYS HA H 1 3.870 0.009 . 1 . . . . 118 Lys HA . 17275 1 1486 . 1 1 118 118 LYS HB2 H 1 1.994 0.007 . 2 . . . . 118 Lys HB2 . 17275 1 1487 . 1 1 118 118 LYS HB3 H 1 1.817 0.008 . 2 . . . . 118 Lys HB3 . 17275 1 1488 . 1 1 118 118 LYS HD2 H 1 1.806 0.008 . 1 . . . . 118 Lys HD2 . 17275 1 1489 . 1 1 118 118 LYS HD3 H 1 1.806 0.008 . 1 . . . . 118 Lys HD3 . 17275 1 1490 . 1 1 118 118 LYS HE2 H 1 3.073 0.004 . 1 . . . . 118 Lys HE2 . 17275 1 1491 . 1 1 118 118 LYS HE3 H 1 3.073 0.004 . 1 . . . . 118 Lys HE3 . 17275 1 1492 . 1 1 118 118 LYS HG2 H 1 1.543 0.006 . 1 . . . . 118 Lys HG2 . 17275 1 1493 . 1 1 118 118 LYS HG3 H 1 1.543 0.006 . 1 . . . . 118 Lys HG3 . 17275 1 1494 . 1 1 118 118 LYS C C 13 176.872 0.015 . 1 . . . . 118 Lys C . 17275 1 1495 . 1 1 118 118 LYS CA C 13 60.524 0.038 . 1 . . . . 118 Lys CA . 17275 1 1496 . 1 1 118 118 LYS CB C 13 31.708 0.031 . 1 . . . . 118 Lys CB . 17275 1 1497 . 1 1 118 118 LYS CD C 13 29.160 0.000 . 1 . . . . 118 Lys CD . 17275 1 1498 . 1 1 118 118 LYS CE C 13 41.998 0.000 . 1 . . . . 118 Lys CE . 17275 1 1499 . 1 1 118 118 LYS CG C 13 25.844 0.000 . 1 . . . . 118 Lys CG . 17275 1 1500 . 1 1 118 118 LYS N N 15 117.411 0.122 . 1 . . . . 118 Lys N . 17275 1 1501 . 1 1 119 119 LYS H H 1 7.544 0.005 . 1 . . . . 119 Lys H . 17275 1 1502 . 1 1 119 119 LYS HA H 1 4.093 0.009 . 1 . . . . 119 Lys HA . 17275 1 1503 . 1 1 119 119 LYS HB2 H 1 1.832 0.009 . 1 . . . . 119 Lys HB2 . 17275 1 1504 . 1 1 119 119 LYS HB3 H 1 1.832 0.009 . 1 . . . . 119 Lys HB3 . 17275 1 1505 . 1 1 119 119 LYS HD2 H 1 1.655 0.004 . 1 . . . . 119 Lys HD2 . 17275 1 1506 . 1 1 119 119 LYS HD3 H 1 1.658 0.006 . 1 . . . . 119 Lys HD3 . 17275 1 1507 . 1 1 119 119 LYS HE2 H 1 3.003 0.003 . 1 . . . . 119 Lys HE2 . 17275 1 1508 . 1 1 119 119 LYS HE3 H 1 3.003 0.003 . 1 . . . . 119 Lys HE3 . 17275 1 1509 . 1 1 119 119 LYS HG2 H 1 1.475 0.000 . 2 . . . . 119 Lys HG2 . 17275 1 1510 . 1 1 119 119 LYS HG3 H 1 1.295 0.009 . 2 . . . . 119 Lys HG3 . 17275 1 1511 . 1 1 119 119 LYS C C 13 177.816 0.006 . 1 . . . . 119 Lys C . 17275 1 1512 . 1 1 119 119 LYS CA C 13 59.781 0.073 . 1 . . . . 119 Lys CA . 17275 1 1513 . 1 1 119 119 LYS CB C 13 32.808 0.052 . 1 . . . . 119 Lys CB . 17275 1 1514 . 1 1 119 119 LYS CD C 13 29.468 0.000 . 1 . . . . 119 Lys CD . 17275 1 1515 . 1 1 119 119 LYS CE C 13 42.052 0.000 . 1 . . . . 119 Lys CE . 17275 1 1516 . 1 1 119 119 LYS CG C 13 24.710 0.007 . 1 . . . . 119 Lys CG . 17275 1 1517 . 1 1 119 119 LYS N N 15 118.221 0.046 . 1 . . . . 119 Lys N . 17275 1 1518 . 1 1 120 120 ALA H H 1 7.153 0.007 . 1 . . . . 120 Ala H . 17275 1 1519 . 1 1 120 120 ALA HA H 1 4.010 0.010 . 1 . . . . 120 Ala HA . 17275 1 1520 . 1 1 120 120 ALA HB1 H 1 0.797 0.007 . 1 . . . . 120 Ala HB1 . 17275 1 1521 . 1 1 120 120 ALA HB2 H 1 0.797 0.007 . 1 . . . . 120 Ala HB2 . 17275 1 1522 . 1 1 120 120 ALA HB3 H 1 0.797 0.007 . 1 . . . . 120 Ala HB3 . 17275 1 1523 . 1 1 120 120 ALA C C 13 180.789 0.006 . 1 . . . . 120 Ala C . 17275 1 1524 . 1 1 120 120 ALA CA C 13 54.774 0.032 . 1 . . . . 120 Ala CA . 17275 1 1525 . 1 1 120 120 ALA CB C 13 18.244 0.020 . 1 . . . . 120 Ala CB . 17275 1 1526 . 1 1 120 120 ALA N N 15 119.675 0.057 . 1 . . . . 120 Ala N . 17275 1 1527 . 1 1 121 121 ILE H H 1 8.620 0.006 . 1 . . . . 121 Ile H . 17275 1 1528 . 1 1 121 121 ILE HA H 1 3.402 0.009 . 1 . . . . 121 Ile HA . 17275 1 1529 . 1 1 121 121 ILE HB H 1 1.680 0.010 . 1 . . . . 121 Ile HB . 17275 1 1530 . 1 1 121 121 ILE HD11 H 1 0.464 0.005 . 1 . . . . 121 Ile HD11 . 17275 1 1531 . 1 1 121 121 ILE HD12 H 1 0.464 0.005 . 1 . . . . 121 Ile HD12 . 17275 1 1532 . 1 1 121 121 ILE HD13 H 1 0.464 0.005 . 1 . . . . 121 Ile HD13 . 17275 1 1533 . 1 1 121 121 ILE HG12 H 1 0.689 0.010 . 2 . . . . 121 Ile HG12 . 17275 1 1534 . 1 1 121 121 ILE HG13 H 1 1.987 0.014 . 2 . . . . 121 Ile HG13 . 17275 1 1535 . 1 1 121 121 ILE HG21 H 1 0.169 0.005 . 1 . . . . 121 Ile HG21 . 17275 1 1536 . 1 1 121 121 ILE HG22 H 1 0.169 0.005 . 1 . . . . 121 Ile HG22 . 17275 1 1537 . 1 1 121 121 ILE HG23 H 1 0.169 0.005 . 1 . . . . 121 Ile HG23 . 17275 1 1538 . 1 1 121 121 ILE C C 13 176.996 0.000 . 1 . . . . 121 Ile C . 17275 1 1539 . 1 1 121 121 ILE CA C 13 66.009 0.023 . 1 . . . . 121 Ile CA . 17275 1 1540 . 1 1 121 121 ILE CB C 13 38.643 0.038 . 1 . . . . 121 Ile CB . 17275 1 1541 . 1 1 121 121 ILE CD1 C 13 15.505 0.008 . 1 . . . . 121 Ile CD1 . 17275 1 1542 . 1 1 121 121 ILE CG1 C 13 30.212 0.041 . 1 . . . . 121 Ile CG1 . 17275 1 1543 . 1 1 121 121 ILE CG2 C 13 17.780 0.010 . 1 . . . . 121 Ile CG2 . 17275 1 1544 . 1 1 121 121 ILE N N 15 119.121 0.048 . 1 . . . . 121 Ile N . 17275 1 1545 . 1 1 122 122 ASP H H 1 8.770 0.008 . 1 . . . . 122 Asp H . 17275 1 1546 . 1 1 122 122 ASP HA H 1 4.351 0.015 . 1 . . . . 122 Asp HA . 17275 1 1547 . 1 1 122 122 ASP HB2 H 1 2.795 0.007 . 2 . . . . 122 Asp HB2 . 17275 1 1548 . 1 1 122 122 ASP HB3 H 1 2.618 0.011 . 2 . . . . 122 Asp HB3 . 17275 1 1549 . 1 1 122 122 ASP C C 13 177.739 0.022 . 1 . . . . 122 Asp C . 17275 1 1550 . 1 1 122 122 ASP CA C 13 58.060 0.077 . 1 . . . . 122 Asp CA . 17275 1 1551 . 1 1 122 122 ASP CB C 13 40.480 0.060 . 1 . . . . 122 Asp CB . 17275 1 1552 . 1 1 122 122 ASP N N 15 118.370 0.033 . 1 . . . . 122 Asp N . 17275 1 1553 . 1 1 123 123 GLU H H 1 8.422 0.008 . 1 . . . . 123 Glu H . 17275 1 1554 . 1 1 123 123 GLU HA H 1 4.336 0.009 . 1 . . . . 123 Glu HA . 17275 1 1555 . 1 1 123 123 GLU HB2 H 1 2.042 0.009 . 1 . . . . 123 Glu HB2 . 17275 1 1556 . 1 1 123 123 GLU HB3 H 1 2.042 0.009 . 1 . . . . 123 Glu HB3 . 17275 1 1557 . 1 1 123 123 GLU HG2 H 1 2.477 0.011 . 2 . . . . 123 Glu HG2 . 17275 1 1558 . 1 1 123 123 GLU HG3 H 1 2.173 0.002 . 2 . . . . 123 Glu HG3 . 17275 1 1559 . 1 1 123 123 GLU C C 13 177.431 0.008 . 1 . . . . 123 Glu C . 17275 1 1560 . 1 1 123 123 GLU CA C 13 57.901 0.083 . 1 . . . . 123 Glu CA . 17275 1 1561 . 1 1 123 123 GLU CB C 13 30.244 0.039 . 1 . . . . 123 Glu CB . 17275 1 1562 . 1 1 123 123 GLU CG C 13 36.719 0.030 . 1 . . . . 123 Glu CG . 17275 1 1563 . 1 1 123 123 GLU N N 15 113.587 0.045 . 1 . . . . 123 Glu N . 17275 1 1564 . 1 1 124 124 PHE H H 1 7.840 0.007 . 1 . . . . 124 Phe H . 17275 1 1565 . 1 1 124 124 PHE HA H 1 4.843 0.011 . 1 . . . . 124 Phe HA . 17275 1 1566 . 1 1 124 124 PHE HB2 H 1 3.451 0.006 . 2 . . . . 124 Phe HB2 . 17275 1 1567 . 1 1 124 124 PHE HB3 H 1 3.097 0.006 . 2 . . . . 124 Phe HB3 . 17275 1 1568 . 1 1 124 124 PHE HD1 H 1 7.017 0.005 . 3 . . . . 124 Phe HD1 . 17275 1 1569 . 1 1 124 124 PHE HD2 H 1 7.017 0.005 . 3 . . . . 124 Phe HD2 . 17275 1 1570 . 1 1 124 124 PHE HE1 H 1 7.343 0.007 . 3 . . . . 124 Phe HE1 . 17275 1 1571 . 1 1 124 124 PHE HE2 H 1 7.343 0.007 . 3 . . . . 124 Phe HE2 . 17275 1 1572 . 1 1 124 124 PHE HZ H 1 7.434 0.005 . 1 . . . . 124 Phe HZ . 17275 1 1573 . 1 1 124 124 PHE C C 13 176.023 0.021 . 1 . . . . 124 Phe C . 17275 1 1574 . 1 1 124 124 PHE CA C 13 59.189 0.052 . 1 . . . . 124 Phe CA . 17275 1 1575 . 1 1 124 124 PHE CB C 13 40.088 0.017 . 1 . . . . 124 Phe CB . 17275 1 1576 . 1 1 124 124 PHE CD1 C 13 131.268 0.020 . 3 . . . . 124 Phe CD1 . 17275 1 1577 . 1 1 124 124 PHE CD2 C 13 131.268 0.020 . 3 . . . . 124 Phe CD2 . 17275 1 1578 . 1 1 124 124 PHE CE1 C 13 131.280 0.074 . 3 . . . . 124 Phe CE1 . 17275 1 1579 . 1 1 124 124 PHE CE2 C 13 131.280 0.074 . 3 . . . . 124 Phe CE2 . 17275 1 1580 . 1 1 124 124 PHE CZ C 13 131.099 0.000 . 1 . . . . 124 Phe CZ . 17275 1 1581 . 1 1 124 124 PHE N N 15 118.520 0.041 . 1 . . . . 124 Phe N . 17275 1 1582 . 1 1 125 125 LEU H H 1 8.065 0.007 . 1 . . . . 125 Leu H . 17275 1 1583 . 1 1 125 125 LEU HA H 1 4.024 0.012 . 1 . . . . 125 Leu HA . 17275 1 1584 . 1 1 125 125 LEU HB2 H 1 2.570 0.012 . 2 . . . . 125 Leu HB2 . 17275 1 1585 . 1 1 125 125 LEU HB3 H 1 1.252 0.007 . 2 . . . . 125 Leu HB3 . 17275 1 1586 . 1 1 125 125 LEU HD11 H 1 0.951 0.007 . 2 . . . . 125 Leu HD11 . 17275 1 1587 . 1 1 125 125 LEU HD12 H 1 0.951 0.007 . 2 . . . . 125 Leu HD12 . 17275 1 1588 . 1 1 125 125 LEU HD13 H 1 0.951 0.007 . 2 . . . . 125 Leu HD13 . 17275 1 1589 . 1 1 125 125 LEU HD21 H 1 0.793 0.008 . 2 . . . . 125 Leu HD21 . 17275 1 1590 . 1 1 125 125 LEU HD22 H 1 0.793 0.008 . 2 . . . . 125 Leu HD22 . 17275 1 1591 . 1 1 125 125 LEU HD23 H 1 0.793 0.008 . 2 . . . . 125 Leu HD23 . 17275 1 1592 . 1 1 125 125 LEU C C 13 178.286 0.018 . 1 . . . . 125 Leu C . 17275 1 1593 . 1 1 125 125 LEU CA C 13 57.767 0.037 . 1 . . . . 125 Leu CA . 17275 1 1594 . 1 1 125 125 LEU CB C 13 40.616 0.034 . 1 . . . . 125 Leu CB . 17275 1 1595 . 1 1 125 125 LEU CD1 C 13 26.349 0.017 . 2 . . . . 125 Leu CD1 . 17275 1 1596 . 1 1 125 125 LEU CD2 C 13 22.692 0.038 . 2 . . . . 125 Leu CD2 . 17275 1 1597 . 1 1 125 125 LEU N N 15 115.628 0.049 . 1 . . . . 125 Leu N . 17275 1 1598 . 1 1 126 126 LEU H H 1 8.278 0.004 . 1 . . . . 126 Leu H . 17275 1 1599 . 1 1 126 126 LEU HA H 1 4.550 0.008 . 1 . . . . 126 Leu HA . 17275 1 1600 . 1 1 126 126 LEU HB2 H 1 1.646 0.011 . 2 . . . . 126 Leu HB2 . 17275 1 1601 . 1 1 126 126 LEU HB3 H 1 2.073 0.010 . 2 . . . . 126 Leu HB3 . 17275 1 1602 . 1 1 126 126 LEU HD11 H 1 1.008 0.007 . 2 . . . . 126 Leu HD11 . 17275 1 1603 . 1 1 126 126 LEU HD12 H 1 1.008 0.007 . 2 . . . . 126 Leu HD12 . 17275 1 1604 . 1 1 126 126 LEU HD13 H 1 1.008 0.007 . 2 . . . . 126 Leu HD13 . 17275 1 1605 . 1 1 126 126 LEU HD21 H 1 0.861 0.007 . 2 . . . . 126 Leu HD21 . 17275 1 1606 . 1 1 126 126 LEU HD22 H 1 0.861 0.007 . 2 . . . . 126 Leu HD22 . 17275 1 1607 . 1 1 126 126 LEU HD23 H 1 0.861 0.007 . 2 . . . . 126 Leu HD23 . 17275 1 1608 . 1 1 126 126 LEU HG H 1 1.556 0.009 . 1 . . . . 126 Leu HG . 17275 1 1609 . 1 1 126 126 LEU C C 13 177.189 0.017 . 1 . . . . 126 Leu C . 17275 1 1610 . 1 1 126 126 LEU CA C 13 54.281 0.031 . 1 . . . . 126 Leu CA . 17275 1 1611 . 1 1 126 126 LEU CB C 13 41.571 0.050 . 1 . . . . 126 Leu CB . 17275 1 1612 . 1 1 126 126 LEU CD1 C 13 26.635 0.012 . 2 . . . . 126 Leu CD1 . 17275 1 1613 . 1 1 126 126 LEU CD2 C 13 22.335 0.029 . 2 . . . . 126 Leu CD2 . 17275 1 1614 . 1 1 126 126 LEU CG C 13 26.946 0.000 . 1 . . . . 126 Leu CG . 17275 1 1615 . 1 1 126 126 LEU N N 15 114.734 0.032 . 1 . . . . 126 Leu N . 17275 1 1616 . 1 1 127 127 LYS H H 1 6.786 0.003 . 1 . . . . 127 Lys H . 17275 1 1617 . 1 1 127 127 LYS HA H 1 4.126 0.011 . 1 . . . . 127 Lys HA . 17275 1 1618 . 1 1 127 127 LYS HB2 H 1 1.919 0.009 . 2 . . . . 127 Lys HB2 . 17275 1 1619 . 1 1 127 127 LYS HB3 H 1 1.789 0.010 . 2 . . . . 127 Lys HB3 . 17275 1 1620 . 1 1 127 127 LYS HD2 H 1 1.660 0.000 . 1 . . . . 127 Lys HD2 . 17275 1 1621 . 1 1 127 127 LYS HD3 H 1 1.660 0.000 . 1 . . . . 127 Lys HD3 . 17275 1 1622 . 1 1 127 127 LYS HE2 H 1 3.042 0.000 . 2 . . . . 127 Lys HE2 . 17275 1 1623 . 1 1 127 127 LYS HE3 H 1 2.985 0.009 . 2 . . . . 127 Lys HE3 . 17275 1 1624 . 1 1 127 127 LYS HG2 H 1 1.334 0.008 . 2 . . . . 127 Lys HG2 . 17275 1 1625 . 1 1 127 127 LYS HG3 H 1 1.253 0.001 . 2 . . . . 127 Lys HG3 . 17275 1 1626 . 1 1 127 127 LYS C C 13 176.514 0.001 . 1 . . . . 127 Lys C . 17275 1 1627 . 1 1 127 127 LYS CA C 13 56.489 0.055 . 1 . . . . 127 Lys CA . 17275 1 1628 . 1 1 127 127 LYS CB C 13 30.469 0.031 . 1 . . . . 127 Lys CB . 17275 1 1629 . 1 1 127 127 LYS CD C 13 29.106 0.000 . 1 . . . . 127 Lys CD . 17275 1 1630 . 1 1 127 127 LYS CE C 13 42.254 0.000 . 1 . . . . 127 Lys CE . 17275 1 1631 . 1 1 127 127 LYS CG C 13 24.445 0.005 . 1 . . . . 127 Lys CG . 17275 1 1632 . 1 1 127 127 LYS N N 15 115.786 0.038 . 1 . . . . 127 Lys N . 17275 1 1633 . 1 1 128 128 LYS H H 1 8.552 0.013 . 1 . . . . 128 Lys H . 17275 1 1634 . 1 1 128 128 LYS HA H 1 4.279 0.011 . 1 . . . . 128 Lys HA . 17275 1 1635 . 1 1 128 128 LYS HB2 H 1 1.827 0.002 . 2 . . . . 128 Lys HB2 . 17275 1 1636 . 1 1 128 128 LYS HB3 H 1 1.729 0.006 . 2 . . . . 128 Lys HB3 . 17275 1 1637 . 1 1 128 128 LYS HD2 H 1 1.698 0.014 . 1 . . . . 128 Lys HD2 . 17275 1 1638 . 1 1 128 128 LYS HD3 H 1 1.688 0.005 . 1 . . . . 128 Lys HD3 . 17275 1 1639 . 1 1 128 128 LYS HE2 H 1 3.013 0.004 . 1 . . . . 128 Lys HE2 . 17275 1 1640 . 1 1 128 128 LYS HE3 H 1 3.013 0.004 . 1 . . . . 128 Lys HE3 . 17275 1 1641 . 1 1 128 128 LYS HG2 H 1 1.490 0.000 . 2 . . . . 128 Lys HG2 . 17275 1 1642 . 1 1 128 128 LYS HG3 H 1 1.444 0.000 . 2 . . . . 128 Lys HG3 . 17275 1 1643 . 1 1 128 128 LYS C C 13 177.018 0.021 . 1 . . . . 128 Lys C . 17275 1 1644 . 1 1 128 128 LYS CA C 13 56.774 0.059 . 1 . . . . 128 Lys CA . 17275 1 1645 . 1 1 128 128 LYS CB C 13 32.870 0.018 . 1 . . . . 128 Lys CB . 17275 1 1646 . 1 1 128 128 LYS CD C 13 29.207 0.000 . 1 . . . . 128 Lys CD . 17275 1 1647 . 1 1 128 128 LYS CE C 13 42.056 0.000 . 1 . . . . 128 Lys CE . 17275 1 1648 . 1 1 128 128 LYS CG C 13 25.108 0.009 . 1 . . . . 128 Lys CG . 17275 1 1649 . 1 1 128 128 LYS N N 15 120.430 0.066 . 1 . . . . 128 Lys N . 17275 1 1650 . 1 1 129 129 GLU H H 1 8.437 0.010 . 1 . . . . 129 Glu H . 17275 1 1651 . 1 1 129 129 GLU HA H 1 4.331 0.011 . 1 . . . . 129 Glu HA . 17275 1 1652 . 1 1 129 129 GLU HB2 H 1 2.097 0.012 . 2 . . . . 129 Glu HB2 . 17275 1 1653 . 1 1 129 129 GLU HB3 H 1 1.957 0.012 . 2 . . . . 129 Glu HB3 . 17275 1 1654 . 1 1 129 129 GLU HG2 H 1 2.297 0.015 . 1 . . . . 129 Glu HG2 . 17275 1 1655 . 1 1 129 129 GLU HG3 H 1 2.297 0.015 . 1 . . . . 129 Glu HG3 . 17275 1 1656 . 1 1 129 129 GLU C C 13 177.055 0.011 . 1 . . . . 129 Glu C . 17275 1 1657 . 1 1 129 129 GLU CA C 13 56.574 0.052 . 1 . . . . 129 Glu CA . 17275 1 1658 . 1 1 129 129 GLU CB C 13 30.502 0.023 . 1 . . . . 129 Glu CB . 17275 1 1659 . 1 1 129 129 GLU CG C 13 36.396 0.000 . 1 . . . . 129 Glu CG . 17275 1 1660 . 1 1 129 129 GLU N N 15 121.214 0.114 . 1 . . . . 129 Glu N . 17275 1 1661 . 1 1 130 130 GLY H H 1 8.492 0.004 . 1 . . . . 130 Gly H . 17275 1 1662 . 1 1 130 130 GLY HA2 H 1 3.921 0.003 . 1 . . . . 130 Gly HA2 . 17275 1 1663 . 1 1 130 130 GLY HA3 H 1 3.921 0.003 . 1 . . . . 130 Gly HA3 . 17275 1 1664 . 1 1 130 130 GLY C C 13 174.054 0.000 . 1 . . . . 130 Gly C . 17275 1 1665 . 1 1 130 130 GLY CA C 13 45.356 0.079 . 1 . . . . 130 Gly CA . 17275 1 1666 . 1 1 130 130 GLY N N 15 109.823 0.083 . 1 . . . . 130 Gly N . 17275 1 stop_ save_