data_18394 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18394 _Entry.Title ; Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-13 _Entry.Accession_date 2012-04-13 _Entry.Last_release_date 2012-04-24 _Entry.Original_release_date 2012-04-24 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION 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 . . . 18394 2 A. Bandaranayake . D. . 18394 3 R. Banu . . . 18394 4 J. Bonanno . B. . 18394 5 D. Calarese . A. . 18394 6 A. Celikgil . . . 18394 7 S. Chamala . . . 18394 8 M. Chan . K. . 18394 9 R. Chaparro . . . 18394 10 B. Evans . . . 18394 11 S. Garforth . . . 18394 12 A. Gizzi . . . 18394 13 B. Hillerich . . . 18394 14 A. Kar . . . 18394 15 J. Lafleur . . . 18394 16 S. Lim . . . 18394 17 J. Love . . . 18394 18 B. Matikainen . . . 18394 19 H. Patel . . . 18394 20 R. Seidel . D. . 18394 21 B. Smith . . . 18394 22 M. Stead . . . 18394 23 M. Girvin . E. . 18394 24 S. Almo . C. . 18394 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 Structural Genomics Research Consortium' . 18394 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'New York Structural Genomics Research Consortium' . 18394 'STRUCTURAL GENOMICS' . 18394 THIOREDOXIN-LIKE . 18394 'UNKNOWN FUNCTION' . 18394 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18394 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 662 18394 '15N chemical shifts' 157 18394 '1H chemical shifts' 1059 18394 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-04-24 2012-04-13 original author . 18394 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID TargetDB 011327 . 18394 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18394 _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 the uncharacterized thioredoxin-like protein BVU_1432 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 . . . 18394 1 2 A. Bandaranayake . D. . 18394 1 3 R. Banu . . . 18394 1 4 J. Bonanno . B. . 18394 1 5 D. Calarese . A. . 18394 1 6 A. Celikgil . . . 18394 1 7 S. Chamala . . . 18394 1 8 M. Chan . K. . 18394 1 9 R. Chaparro . . . 18394 1 10 B. Evans . . . 18394 1 11 S. Garforth . . . 18394 1 12 A. Gizzi . . . 18394 1 13 B. Hillerich . . . 18394 1 14 A. Kar . . . 18394 1 15 J. Lafleur . . . 18394 1 16 S. Lim . . . 18394 1 17 J. Love . . . 18394 1 18 B. Matikainen . . . 18394 1 19 H. Patel . . . 18394 1 20 R. Seidel . D. . 18394 1 21 B. Smith . . . 18394 1 22 M. Stead . . . 18394 1 23 M. Girvin . E. . 18394 1 24 S. Almo . C. . 18394 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18394 _Assembly.ID 1 _Assembly.Name 'uncharacterized thioredoxin-like protein BVU_1432' _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 'uncharacterized thioredoxin-like protein' 1 $uncharacterized_thioredoxin-like_protein A . yes native no no . . . 18394 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_uncharacterized_thioredoxin-like_protein _Entity.Sf_category entity _Entity.Sf_framecode uncharacterized_thioredoxin-like_protein _Entity.Entry_ID 18394 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name uncharacterized_thioredoxin-like_protein _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 ; MSLEIPEDKIKEASIIDIQL KDLKGNTRSLTDLKGKVVLI DFTVYNNAMSAAHNLALREL YNKYASQGFEIYQISLDGDE HFWKTSADNLPWVCVRDANG AYSSYISLYNVTNLPSVFLV NRNNELSARGENIKDLDEAI KKLLEGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; expressed sequence start-stop 242-382 N-term cloning artifact: MSL C-term cloning artifact: EGHHHHHH ; _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 152 _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 17321.625 _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 2LRT . "Solution Structure Of The Uncharacterized Thioredoxin-Like Protein Bvu_1432 From Bacteroides Vulgatus" . . . . . 100.00 152 100.00 100.00 2.32e-106 . . . . 18394 1 2 no EMBL CDF16966 . "putative uncharacterized protein [Bacteroides vulgatus CAG:6]" . . . . . 94.08 382 98.60 100.00 3.21e-95 . . . . 18394 1 3 no EMBL CUO29636 . "alkyl hydroperoxide reductase [Bacteroides vulgatus]" . . . . . 94.08 411 98.60 100.00 1.06e-94 . . . . 18394 1 4 no EMBL CUO85201 . "alkyl hydroperoxide reductase [Bacteroides vulgatus]" . . . . . 94.08 382 98.60 100.00 3.21e-95 . . . . 18394 1 5 no EMBL CUQ48135 . "alkyl hydroperoxide reductase [Bacteroides vulgatus]" . . . . . 94.08 411 98.60 100.00 1.06e-94 . . . . 18394 1 6 no GB ABR39120 . "conserved hypothetical protein [Bacteroides vulgatus ATCC 8482]" . . . . . 94.08 382 98.60 100.00 3.21e-95 . . . . 18394 1 7 no GB AII62029 . "hypothetical protein EL88_02010 [Bacteroides dorei]" . . . . . 94.08 382 97.20 99.30 2.60e-94 . . . . 18394 1 8 no GB AII66966 . "hypothetical protein GV66_04190 [Bacteroides dorei]" . . . . . 94.08 382 97.20 99.30 2.60e-94 . . . . 18394 1 9 no GB ALA72799 . "peroxiredoxin [Bacteroides dorei]" . . . . . 94.08 382 97.20 99.30 2.60e-94 . . . . 18394 1 10 no GB ALB76210 . "ahpC/TSA family protein [uncultured bacterium 35i19]" . . . . . 94.08 382 98.60 100.00 3.21e-95 . . . . 18394 1 11 no REF WP_005845396 . "MULTISPECIES: hypothetical protein [Bacteroides]" . . . . . 94.08 382 98.60 100.00 3.21e-95 . . . . 18394 1 12 no REF WP_007842036 . "hypothetical protein [Bacteroides dorei]" . . . . . 94.08 382 97.20 99.30 2.80e-94 . . . . 18394 1 13 no REF WP_007847144 . "hypothetical protein [Bacteroides dorei]" . . . . . 94.08 382 97.20 99.30 2.41e-94 . . . . 18394 1 14 no REF WP_007855055 . "hypothetical protein [Bacteroides dorei]" . . . . . 94.08 382 97.20 99.30 4.05e-94 . . . . 18394 1 15 no REF WP_008655597 . "MULTISPECIES: hypothetical protein [Bacteroides]" . . . . . 94.08 382 97.20 99.30 2.60e-94 . . . . 18394 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 . 18394 1 2 . SER . 18394 1 3 . LEU . 18394 1 4 . GLU . 18394 1 5 . ILE . 18394 1 6 . PRO . 18394 1 7 . GLU . 18394 1 8 . ASP . 18394 1 9 . LYS . 18394 1 10 . ILE . 18394 1 11 . LYS . 18394 1 12 . GLU . 18394 1 13 . ALA . 18394 1 14 . SER . 18394 1 15 . ILE . 18394 1 16 . ILE . 18394 1 17 . ASP . 18394 1 18 . ILE . 18394 1 19 . GLN . 18394 1 20 . LEU . 18394 1 21 . LYS . 18394 1 22 . ASP . 18394 1 23 . LEU . 18394 1 24 . LYS . 18394 1 25 . GLY . 18394 1 26 . ASN . 18394 1 27 . THR . 18394 1 28 . ARG . 18394 1 29 . SER . 18394 1 30 . LEU . 18394 1 31 . THR . 18394 1 32 . ASP . 18394 1 33 . LEU . 18394 1 34 . LYS . 18394 1 35 . GLY . 18394 1 36 . LYS . 18394 1 37 . VAL . 18394 1 38 . VAL . 18394 1 39 . LEU . 18394 1 40 . ILE . 18394 1 41 . ASP . 18394 1 42 . PHE . 18394 1 43 . THR . 18394 1 44 . VAL . 18394 1 45 . TYR . 18394 1 46 . ASN . 18394 1 47 . ASN . 18394 1 48 . ALA . 18394 1 49 . MET . 18394 1 50 . SER . 18394 1 51 . ALA . 18394 1 52 . ALA . 18394 1 53 . HIS . 18394 1 54 . ASN . 18394 1 55 . LEU . 18394 1 56 . ALA . 18394 1 57 . LEU . 18394 1 58 . ARG . 18394 1 59 . GLU . 18394 1 60 . LEU . 18394 1 61 . TYR . 18394 1 62 . ASN . 18394 1 63 . LYS . 18394 1 64 . TYR . 18394 1 65 . ALA . 18394 1 66 . SER . 18394 1 67 . GLN . 18394 1 68 . GLY . 18394 1 69 . PHE . 18394 1 70 . GLU . 18394 1 71 . ILE . 18394 1 72 . TYR . 18394 1 73 . GLN . 18394 1 74 . ILE . 18394 1 75 . SER . 18394 1 76 . LEU . 18394 1 77 . ASP . 18394 1 78 . GLY . 18394 1 79 . ASP . 18394 1 80 . GLU . 18394 1 81 . HIS . 18394 1 82 . PHE . 18394 1 83 . TRP . 18394 1 84 . LYS . 18394 1 85 . THR . 18394 1 86 . SER . 18394 1 87 . ALA . 18394 1 88 . ASP . 18394 1 89 . ASN . 18394 1 90 . LEU . 18394 1 91 . PRO . 18394 1 92 . TRP . 18394 1 93 . VAL . 18394 1 94 . CYS . 18394 1 95 . VAL . 18394 1 96 . ARG . 18394 1 97 . ASP . 18394 1 98 . ALA . 18394 1 99 . ASN . 18394 1 100 . GLY . 18394 1 101 . ALA . 18394 1 102 . TYR . 18394 1 103 . SER . 18394 1 104 . SER . 18394 1 105 . TYR . 18394 1 106 . ILE . 18394 1 107 . SER . 18394 1 108 . LEU . 18394 1 109 . TYR . 18394 1 110 . ASN . 18394 1 111 . VAL . 18394 1 112 . THR . 18394 1 113 . ASN . 18394 1 114 . LEU . 18394 1 115 . PRO . 18394 1 116 . SER . 18394 1 117 . VAL . 18394 1 118 . PHE . 18394 1 119 . LEU . 18394 1 120 . VAL . 18394 1 121 . ASN . 18394 1 122 . ARG . 18394 1 123 . ASN . 18394 1 124 . ASN . 18394 1 125 . GLU . 18394 1 126 . LEU . 18394 1 127 . SER . 18394 1 128 . ALA . 18394 1 129 . ARG . 18394 1 130 . GLY . 18394 1 131 . GLU . 18394 1 132 . ASN . 18394 1 133 . ILE . 18394 1 134 . LYS . 18394 1 135 . ASP . 18394 1 136 . LEU . 18394 1 137 . ASP . 18394 1 138 . GLU . 18394 1 139 . ALA . 18394 1 140 . ILE . 18394 1 141 . LYS . 18394 1 142 . LYS . 18394 1 143 . LEU . 18394 1 144 . LEU . 18394 1 145 . GLU . 18394 1 146 . GLY . 18394 1 147 . HIS . 18394 1 148 . HIS . 18394 1 149 . HIS . 18394 1 150 . HIS . 18394 1 151 . HIS . 18394 1 152 . HIS . 18394 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 18394 1 . SER 2 2 18394 1 . LEU 3 3 18394 1 . GLU 4 4 18394 1 . ILE 5 5 18394 1 . PRO 6 6 18394 1 . GLU 7 7 18394 1 . ASP 8 8 18394 1 . LYS 9 9 18394 1 . ILE 10 10 18394 1 . LYS 11 11 18394 1 . GLU 12 12 18394 1 . ALA 13 13 18394 1 . SER 14 14 18394 1 . ILE 15 15 18394 1 . ILE 16 16 18394 1 . ASP 17 17 18394 1 . ILE 18 18 18394 1 . GLN 19 19 18394 1 . LEU 20 20 18394 1 . LYS 21 21 18394 1 . ASP 22 22 18394 1 . LEU 23 23 18394 1 . LYS 24 24 18394 1 . GLY 25 25 18394 1 . ASN 26 26 18394 1 . THR 27 27 18394 1 . ARG 28 28 18394 1 . SER 29 29 18394 1 . LEU 30 30 18394 1 . THR 31 31 18394 1 . ASP 32 32 18394 1 . LEU 33 33 18394 1 . LYS 34 34 18394 1 . GLY 35 35 18394 1 . LYS 36 36 18394 1 . VAL 37 37 18394 1 . VAL 38 38 18394 1 . LEU 39 39 18394 1 . ILE 40 40 18394 1 . ASP 41 41 18394 1 . PHE 42 42 18394 1 . THR 43 43 18394 1 . VAL 44 44 18394 1 . TYR 45 45 18394 1 . ASN 46 46 18394 1 . ASN 47 47 18394 1 . ALA 48 48 18394 1 . MET 49 49 18394 1 . SER 50 50 18394 1 . ALA 51 51 18394 1 . ALA 52 52 18394 1 . HIS 53 53 18394 1 . ASN 54 54 18394 1 . LEU 55 55 18394 1 . ALA 56 56 18394 1 . LEU 57 57 18394 1 . ARG 58 58 18394 1 . GLU 59 59 18394 1 . LEU 60 60 18394 1 . TYR 61 61 18394 1 . ASN 62 62 18394 1 . LYS 63 63 18394 1 . TYR 64 64 18394 1 . ALA 65 65 18394 1 . SER 66 66 18394 1 . GLN 67 67 18394 1 . GLY 68 68 18394 1 . PHE 69 69 18394 1 . GLU 70 70 18394 1 . ILE 71 71 18394 1 . TYR 72 72 18394 1 . GLN 73 73 18394 1 . ILE 74 74 18394 1 . SER 75 75 18394 1 . LEU 76 76 18394 1 . ASP 77 77 18394 1 . GLY 78 78 18394 1 . ASP 79 79 18394 1 . GLU 80 80 18394 1 . HIS 81 81 18394 1 . PHE 82 82 18394 1 . TRP 83 83 18394 1 . LYS 84 84 18394 1 . THR 85 85 18394 1 . SER 86 86 18394 1 . ALA 87 87 18394 1 . ASP 88 88 18394 1 . ASN 89 89 18394 1 . LEU 90 90 18394 1 . PRO 91 91 18394 1 . TRP 92 92 18394 1 . VAL 93 93 18394 1 . CYS 94 94 18394 1 . VAL 95 95 18394 1 . ARG 96 96 18394 1 . ASP 97 97 18394 1 . ALA 98 98 18394 1 . ASN 99 99 18394 1 . GLY 100 100 18394 1 . ALA 101 101 18394 1 . TYR 102 102 18394 1 . SER 103 103 18394 1 . SER 104 104 18394 1 . TYR 105 105 18394 1 . ILE 106 106 18394 1 . SER 107 107 18394 1 . LEU 108 108 18394 1 . TYR 109 109 18394 1 . ASN 110 110 18394 1 . VAL 111 111 18394 1 . THR 112 112 18394 1 . ASN 113 113 18394 1 . LEU 114 114 18394 1 . PRO 115 115 18394 1 . SER 116 116 18394 1 . VAL 117 117 18394 1 . PHE 118 118 18394 1 . LEU 119 119 18394 1 . VAL 120 120 18394 1 . ASN 121 121 18394 1 . ARG 122 122 18394 1 . ASN 123 123 18394 1 . ASN 124 124 18394 1 . GLU 125 125 18394 1 . LEU 126 126 18394 1 . SER 127 127 18394 1 . ALA 128 128 18394 1 . ARG 129 129 18394 1 . GLY 130 130 18394 1 . GLU 131 131 18394 1 . ASN 132 132 18394 1 . ILE 133 133 18394 1 . LYS 134 134 18394 1 . ASP 135 135 18394 1 . LEU 136 136 18394 1 . ASP 137 137 18394 1 . GLU 138 138 18394 1 . ALA 139 139 18394 1 . ILE 140 140 18394 1 . LYS 141 141 18394 1 . LYS 142 142 18394 1 . LEU 143 143 18394 1 . LEU 144 144 18394 1 . GLU 145 145 18394 1 . GLY 146 146 18394 1 . HIS 147 147 18394 1 . HIS 148 148 18394 1 . HIS 149 149 18394 1 . HIS 150 150 18394 1 . HIS 151 151 18394 1 . HIS 152 152 18394 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 18394 _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 $uncharacterized_thioredoxin-like_protein . 821 organism . 'Bacteroides vulgatus' 'Bacteroides vulgatus' . . Bacteria . Bacteroides vulgatus . . . . . . . . . . . . . . . . . . . . . 18394 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 18394 _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 $uncharacterized_thioredoxin-like_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET . . 'modified pET26' . . . . . . 18394 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18394 _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 'uncharacterized thioredoxin-like protein' '[U-13C; U-15N]' . . 1 $uncharacterized_thioredoxin-like_protein . . 1 . . mM . . . . 18394 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18394 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18394 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18394 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18394 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18394 _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 'uncharacterized thioredoxin-like protein' '[U-13C; U-15N]' . . 1 $uncharacterized_thioredoxin-like_protein . . 1 . . mM . . . . 18394 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18394 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18394 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18394 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18394 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 18394 _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' 70 . mM 18394 1 pH 6.8 . pH 18394 1 pressure 1 . atm 18394 1 temperature 303 . K 18394 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18394 _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.' . . 18394 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18394 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 18394 _Software.ID 2 _Software.Name CCPN _Software.Version 2.1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18394 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18394 2 'peak picking' 18394 2 stop_ save_ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 18394 _Software.ID 3 _Software.Name VNMR _Software.Version 2.2D _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18394 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18394 3 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18394 _Software.ID 4 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18394 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18394 4 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 18394 _Software.ID 5 _Software.Name MDDNMR _Software.Version 2.0 _Software.Details 'Collection and processing of 3D Non-Uniform Sampled data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDNMR) Orekhov, Jaravine, Kazimierczuk' . . 18394 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18394 5 processing 18394 5 stop_ save_ save_MDDGUI _Software.Sf_category software _Software.Sf_framecode MDDGUI _Software.Entry_ID 18394 _Software.ID 6 _Software.Name MDDGUI _Software.Version 1.0 _Software.Details 'Collection and processing of 3D NUS data' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDGUI) Lemak, Gutmanas, Chitayat, Karra, Fares, Sunnerhagen, Arrowsmith' . . 18394 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18394 6 processing 18394 6 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18394 _Software.ID 7 _Software.Name NMRPipe _Software.Version 5.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18394 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18394 7 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 18394 _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 18394 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18394 _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 . . . 18394 1 2 spectrometer_2 Bruker Avance . 700 . . . 18394 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 18394 _Experiment_list.ID 1 _Experiment_list.Details 'All 3Ds were collected as NUS experiments using the MDDNMR or MDDgui approach' 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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18394 1 2 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18394 1 3 '13C CT-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18394 1 4 'aromatic 13C CT-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18394 1 5 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18394 1 6 '13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18394 1 7 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18394 1 8 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18394 1 9 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18394 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18394 1 11 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18394 1 12 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18394 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 18394 _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 . . . . . . . . . 18394 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18394 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18394 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 18394 _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' . . . 18394 1 3 '13C CT-HSQC' . . . 18394 1 4 'aromatic 13C CT-HSQC' . . . 18394 1 7 HNCO . . . 18394 1 8 HNCACO . . . 18394 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HE1 H 1 2.105 0.01 . 1 . . . A 1 MET HE1 . 18394 1 2 . 1 1 1 1 MET HE2 H 1 2.105 0.01 . 1 . . . A 1 MET HE2 . 18394 1 3 . 1 1 1 1 MET HE3 H 1 2.105 0.01 . 1 . . . A 1 MET HE3 . 18394 1 4 . 1 1 1 1 MET CE C 13 17.322 0.05 . 1 . . . A 1 MET CE . 18394 1 5 . 1 1 3 3 LEU HA H 1 4.402 0.002 . 1 . . . A 3 LEU HA . 18394 1 6 . 1 1 3 3 LEU HB2 H 1 1.653 0.001 . 1 . . . A 3 LEU HB2 . 18394 1 7 . 1 1 3 3 LEU HB3 H 1 1.653 0.001 . 1 . . . A 3 LEU HB3 . 18394 1 8 . 1 1 3 3 LEU HG H 1 1.645 0.001 . 1 . . . A 3 LEU HG . 18394 1 9 . 1 1 3 3 LEU HD11 H 1 0.955 0.01 . 2 . . . A 3 LEU HD11 . 18394 1 10 . 1 1 3 3 LEU HD12 H 1 0.955 0.01 . 2 . . . A 3 LEU HD12 . 18394 1 11 . 1 1 3 3 LEU HD13 H 1 0.955 0.01 . 2 . . . A 3 LEU HD13 . 18394 1 12 . 1 1 3 3 LEU HD21 H 1 0.916 0.001 . 2 . . . A 3 LEU HD21 . 18394 1 13 . 1 1 3 3 LEU HD22 H 1 0.916 0.001 . 2 . . . A 3 LEU HD22 . 18394 1 14 . 1 1 3 3 LEU HD23 H 1 0.916 0.001 . 2 . . . A 3 LEU HD23 . 18394 1 15 . 1 1 3 3 LEU C C 13 177.012 0.008 . 1 . . . A 3 LEU C . 18394 1 16 . 1 1 3 3 LEU CA C 13 55.472 0.005 . 1 . . . A 3 LEU CA . 18394 1 17 . 1 1 3 3 LEU CB C 13 42.419 0.05 . 1 . . . A 3 LEU CB . 18394 1 18 . 1 1 3 3 LEU CG C 13 27.135 0.05 . 1 . . . A 3 LEU CG . 18394 1 19 . 1 1 3 3 LEU CD1 C 13 24.869 0.05 . 2 . . . A 3 LEU CD1 . 18394 1 20 . 1 1 3 3 LEU CD2 C 13 23.746 0.05 . 2 . . . A 3 LEU CD2 . 18394 1 21 . 1 1 4 4 GLU H H 1 8.480 0.002 . 1 . . . A 4 GLU H . 18394 1 22 . 1 1 4 4 GLU HA H 1 4.302 0.003 . 1 . . . A 4 GLU HA . 18394 1 23 . 1 1 4 4 GLU HB2 H 1 2.007 0.01 . 2 . . . A 4 GLU HB2 . 18394 1 24 . 1 1 4 4 GLU HB3 H 1 1.918 0.001 . 2 . . . A 4 GLU HB3 . 18394 1 25 . 1 1 4 4 GLU HG2 H 1 2.258 0.001 . 1 . . . A 4 GLU HG2 . 18394 1 26 . 1 1 4 4 GLU HG3 H 1 2.258 0.001 . 1 . . . A 4 GLU HG3 . 18394 1 27 . 1 1 4 4 GLU C C 13 175.961 0.003 . 1 . . . A 4 GLU C . 18394 1 28 . 1 1 4 4 GLU CA C 13 56.681 0.05 . 1 . . . A 4 GLU CA . 18394 1 29 . 1 1 4 4 GLU CB C 13 30.320 0.001 . 1 . . . A 4 GLU CB . 18394 1 30 . 1 1 4 4 GLU CG C 13 36.390 0.010 . 1 . . . A 4 GLU CG . 18394 1 31 . 1 1 4 4 GLU N N 15 121.947 0.041 . 1 . . . A 4 GLU N . 18394 1 32 . 1 1 5 5 ILE H H 1 8.169 0.003 . 1 . . . A 5 ILE H . 18394 1 33 . 1 1 5 5 ILE HA H 1 4.511 0.002 . 1 . . . A 5 ILE HA . 18394 1 34 . 1 1 5 5 ILE HB H 1 1.909 0.003 . 1 . . . A 5 ILE HB . 18394 1 35 . 1 1 5 5 ILE HG12 H 1 1.188 0.002 . 2 . . . A 5 ILE HG12 . 18394 1 36 . 1 1 5 5 ILE HG13 H 1 1.512 0.003 . 2 . . . A 5 ILE HG13 . 18394 1 37 . 1 1 5 5 ILE HG21 H 1 0.962 0.004 . 1 . . . A 5 ILE HG21 . 18394 1 38 . 1 1 5 5 ILE HG22 H 1 0.962 0.004 . 1 . . . A 5 ILE HG22 . 18394 1 39 . 1 1 5 5 ILE HG23 H 1 0.962 0.004 . 1 . . . A 5 ILE HG23 . 18394 1 40 . 1 1 5 5 ILE HD11 H 1 0.888 0.002 . 1 . . . A 5 ILE HD11 . 18394 1 41 . 1 1 5 5 ILE HD12 H 1 0.888 0.002 . 1 . . . A 5 ILE HD12 . 18394 1 42 . 1 1 5 5 ILE HD13 H 1 0.888 0.002 . 1 . . . A 5 ILE HD13 . 18394 1 43 . 1 1 5 5 ILE C C 13 174.393 0.05 . 1 . . . A 5 ILE C . 18394 1 44 . 1 1 5 5 ILE CA C 13 58.392 0.015 . 1 . . . A 5 ILE CA . 18394 1 45 . 1 1 5 5 ILE CB C 13 38.769 0.013 . 1 . . . A 5 ILE CB . 18394 1 46 . 1 1 5 5 ILE CG1 C 13 26.974 0.004 . 1 . . . A 5 ILE CG1 . 18394 1 47 . 1 1 5 5 ILE CG2 C 13 17.388 0.05 . 1 . . . A 5 ILE CG2 . 18394 1 48 . 1 1 5 5 ILE CD1 C 13 12.735 0.05 . 1 . . . A 5 ILE CD1 . 18394 1 49 . 1 1 5 5 ILE N N 15 123.409 0.049 . 1 . . . A 5 ILE N . 18394 1 50 . 1 1 6 6 PRO HA H 1 4.451 0.003 . 1 . . . A 6 PRO HA . 18394 1 51 . 1 1 6 6 PRO HB2 H 1 2.345 0.002 . 2 . . . A 6 PRO HB2 . 18394 1 52 . 1 1 6 6 PRO HB3 H 1 1.972 0.004 . 2 . . . A 6 PRO HB3 . 18394 1 53 . 1 1 6 6 PRO HG2 H 1 2.087 0.005 . 2 . . . A 6 PRO HG2 . 18394 1 54 . 1 1 6 6 PRO HG3 H 1 2.027 0.004 . 2 . . . A 6 PRO HG3 . 18394 1 55 . 1 1 6 6 PRO HD2 H 1 3.889 0.002 . 2 . . . A 6 PRO HD2 . 18394 1 56 . 1 1 6 6 PRO HD3 H 1 3.727 0.001 . 2 . . . A 6 PRO HD3 . 18394 1 57 . 1 1 6 6 PRO C C 13 177.079 0.010 . 1 . . . A 6 PRO C . 18394 1 58 . 1 1 6 6 PRO CA C 13 63.417 0.003 . 1 . . . A 6 PRO CA . 18394 1 59 . 1 1 6 6 PRO CB C 13 32.261 0.031 . 1 . . . A 6 PRO CB . 18394 1 60 . 1 1 6 6 PRO CG C 13 27.504 0.002 . 1 . . . A 6 PRO CG . 18394 1 61 . 1 1 6 6 PRO CD C 13 51.151 0.003 . 1 . . . A 6 PRO CD . 18394 1 62 . 1 1 7 7 GLU H H 1 8.564 0.002 . 1 . . . A 7 GLU H . 18394 1 63 . 1 1 7 7 GLU HA H 1 4.240 0.004 . 1 . . . A 7 GLU HA . 18394 1 64 . 1 1 7 7 GLU HB2 H 1 2.102 0.001 . 2 . . . A 7 GLU HB2 . 18394 1 65 . 1 1 7 7 GLU HB3 H 1 1.955 0.003 . 2 . . . A 7 GLU HB3 . 18394 1 66 . 1 1 7 7 GLU HG2 H 1 2.314 0.001 . 1 . . . A 7 GLU HG2 . 18394 1 67 . 1 1 7 7 GLU HG3 H 1 2.314 0.001 . 1 . . . A 7 GLU HG3 . 18394 1 68 . 1 1 7 7 GLU C C 13 176.376 0.004 . 1 . . . A 7 GLU C . 18394 1 69 . 1 1 7 7 GLU CA C 13 57.100 0.006 . 1 . . . A 7 GLU CA . 18394 1 70 . 1 1 7 7 GLU CB C 13 30.381 0.007 . 1 . . . A 7 GLU CB . 18394 1 71 . 1 1 7 7 GLU CG C 13 36.527 0.005 . 1 . . . A 7 GLU CG . 18394 1 72 . 1 1 7 7 GLU N N 15 121.146 0.019 . 1 . . . A 7 GLU N . 18394 1 73 . 1 1 8 8 ASP H H 1 8.361 0.002 . 1 . . . A 8 ASP H . 18394 1 74 . 1 1 8 8 ASP HA H 1 4.598 0.003 . 1 . . . A 8 ASP HA . 18394 1 75 . 1 1 8 8 ASP HB2 H 1 2.697 0.003 . 2 . . . A 8 ASP HB2 . 18394 1 76 . 1 1 8 8 ASP HB3 H 1 2.666 0.004 . 2 . . . A 8 ASP HB3 . 18394 1 77 . 1 1 8 8 ASP C C 13 176.185 0.002 . 1 . . . A 8 ASP C . 18394 1 78 . 1 1 8 8 ASP CA C 13 54.497 0.001 . 1 . . . A 8 ASP CA . 18394 1 79 . 1 1 8 8 ASP CB C 13 41.048 0.021 . 1 . . . A 8 ASP CB . 18394 1 80 . 1 1 8 8 ASP N N 15 121.037 0.023 . 1 . . . A 8 ASP N . 18394 1 81 . 1 1 9 9 LYS H H 1 8.080 0.002 . 1 . . . A 9 LYS H . 18394 1 82 . 1 1 9 9 LYS HA H 1 4.341 0.002 . 1 . . . A 9 LYS HA . 18394 1 83 . 1 1 9 9 LYS HB2 H 1 1.866 0.001 . 2 . . . A 9 LYS HB2 . 18394 1 84 . 1 1 9 9 LYS HB3 H 1 1.790 0.003 . 2 . . . A 9 LYS HB3 . 18394 1 85 . 1 1 9 9 LYS HG2 H 1 1.461 0.002 . 1 . . . A 9 LYS HG2 . 18394 1 86 . 1 1 9 9 LYS HG3 H 1 1.461 0.002 . 1 . . . A 9 LYS HG3 . 18394 1 87 . 1 1 9 9 LYS HD2 H 1 1.720 0.004 . 1 . . . A 9 LYS HD2 . 18394 1 88 . 1 1 9 9 LYS HD3 H 1 1.720 0.004 . 1 . . . A 9 LYS HD3 . 18394 1 89 . 1 1 9 9 LYS HE2 H 1 3.021 0.004 . 1 . . . A 9 LYS HE2 . 18394 1 90 . 1 1 9 9 LYS HE3 H 1 3.020 0.004 . 1 . . . A 9 LYS HE3 . 18394 1 91 . 1 1 9 9 LYS C C 13 176.634 0.003 . 1 . . . A 9 LYS C . 18394 1 92 . 1 1 9 9 LYS CA C 13 56.365 0.020 . 1 . . . A 9 LYS CA . 18394 1 93 . 1 1 9 9 LYS CB C 13 33.157 0.05 . 1 . . . A 9 LYS CB . 18394 1 94 . 1 1 9 9 LYS CG C 13 24.744 0.05 . 1 . . . A 9 LYS CG . 18394 1 95 . 1 1 9 9 LYS CD C 13 28.815 0.008 . 1 . . . A 9 LYS CD . 18394 1 96 . 1 1 9 9 LYS CE C 13 41.990 0.05 . 1 . . . A 9 LYS CE . 18394 1 97 . 1 1 9 9 LYS N N 15 121.047 0.037 . 1 . . . A 9 LYS N . 18394 1 98 . 1 1 10 10 ILE H H 1 8.040 0.002 . 1 . . . A 10 ILE H . 18394 1 99 . 1 1 10 10 ILE HA H 1 4.103 0.002 . 1 . . . A 10 ILE HA . 18394 1 100 . 1 1 10 10 ILE HB H 1 1.886 0.002 . 1 . . . A 10 ILE HB . 18394 1 101 . 1 1 10 10 ILE HG12 H 1 1.495 0.002 . 2 . . . A 10 ILE HG12 . 18394 1 102 . 1 1 10 10 ILE HG13 H 1 1.219 0.003 . 2 . . . A 10 ILE HG13 . 18394 1 103 . 1 1 10 10 ILE HG21 H 1 0.909 0.003 . 1 . . . A 10 ILE HG21 . 18394 1 104 . 1 1 10 10 ILE HG22 H 1 0.909 0.003 . 1 . . . A 10 ILE HG22 . 18394 1 105 . 1 1 10 10 ILE HG23 H 1 0.909 0.003 . 1 . . . A 10 ILE HG23 . 18394 1 106 . 1 1 10 10 ILE HD11 H 1 0.864 0.001 . 1 . . . A 10 ILE HD11 . 18394 1 107 . 1 1 10 10 ILE HD12 H 1 0.864 0.001 . 1 . . . A 10 ILE HD12 . 18394 1 108 . 1 1 10 10 ILE HD13 H 1 0.864 0.001 . 1 . . . A 10 ILE HD13 . 18394 1 109 . 1 1 10 10 ILE C C 13 176.219 0.003 . 1 . . . A 10 ILE C . 18394 1 110 . 1 1 10 10 ILE CA C 13 61.449 0.007 . 1 . . . A 10 ILE CA . 18394 1 111 . 1 1 10 10 ILE CB C 13 38.359 0.008 . 1 . . . A 10 ILE CB . 18394 1 112 . 1 1 10 10 ILE CG1 C 13 27.640 0.007 . 1 . . . A 10 ILE CG1 . 18394 1 113 . 1 1 10 10 ILE CG2 C 13 17.601 0.05 . 1 . . . A 10 ILE CG2 . 18394 1 114 . 1 1 10 10 ILE CD1 C 13 12.871 0.05 . 1 . . . A 10 ILE CD1 . 18394 1 115 . 1 1 10 10 ILE N N 15 121.823 0.028 . 1 . . . A 10 ILE N . 18394 1 116 . 1 1 11 11 LYS H H 1 8.265 0.002 . 1 . . . A 11 LYS H . 18394 1 117 . 1 1 11 11 LYS HA H 1 4.335 0.004 . 1 . . . A 11 LYS HA . 18394 1 118 . 1 1 11 11 LYS HB2 H 1 1.859 0.003 . 2 . . . A 11 LYS HB2 . 18394 1 119 . 1 1 11 11 LYS HB3 H 1 1.785 0.001 . 2 . . . A 11 LYS HB3 . 18394 1 120 . 1 1 11 11 LYS HG2 H 1 1.454 0.002 . 1 . . . A 11 LYS HG2 . 18394 1 121 . 1 1 11 11 LYS HG3 H 1 1.454 0.003 . 1 . . . A 11 LYS HG3 . 18394 1 122 . 1 1 11 11 LYS HD2 H 1 1.722 0.002 . 1 . . . A 11 LYS HD2 . 18394 1 123 . 1 1 11 11 LYS HD3 H 1 1.722 0.001 . 1 . . . A 11 LYS HD3 . 18394 1 124 . 1 1 11 11 LYS HE2 H 1 3.011 0.002 . 1 . . . A 11 LYS HE2 . 18394 1 125 . 1 1 11 11 LYS HE3 H 1 3.011 0.002 . 1 . . . A 11 LYS HE3 . 18394 1 126 . 1 1 11 11 LYS C C 13 176.391 0.006 . 1 . . . A 11 LYS C . 18394 1 127 . 1 1 11 11 LYS CA C 13 56.288 0.002 . 1 . . . A 11 LYS CA . 18394 1 128 . 1 1 11 11 LYS CB C 13 33.161 0.006 . 1 . . . A 11 LYS CB . 18394 1 129 . 1 1 11 11 LYS CG C 13 24.756 0.002 . 1 . . . A 11 LYS CG . 18394 1 130 . 1 1 11 11 LYS CD C 13 28.996 0.010 . 1 . . . A 11 LYS CD . 18394 1 131 . 1 1 11 11 LYS CE C 13 42.003 0.05 . 1 . . . A 11 LYS CE . 18394 1 132 . 1 1 11 11 LYS N N 15 125.173 0.027 . 1 . . . A 11 LYS N . 18394 1 133 . 1 1 12 12 GLU H H 1 8.408 0.002 . 1 . . . A 12 GLU H . 18394 1 134 . 1 1 12 12 GLU HA H 1 4.263 0.003 . 1 . . . A 12 GLU HA . 18394 1 135 . 1 1 12 12 GLU HB2 H 1 2.055 0.01 . 2 . . . A 12 GLU HB2 . 18394 1 136 . 1 1 12 12 GLU HB3 H 1 1.949 0.003 . 2 . . . A 12 GLU HB3 . 18394 1 137 . 1 1 12 12 GLU HG2 H 1 2.309 0.003 . 1 . . . A 12 GLU HG2 . 18394 1 138 . 1 1 12 12 GLU HG3 H 1 2.309 0.003 . 1 . . . A 12 GLU HG3 . 18394 1 139 . 1 1 12 12 GLU C C 13 175.973 0.009 . 1 . . . A 12 GLU C . 18394 1 140 . 1 1 12 12 GLU CA C 13 56.848 0.026 . 1 . . . A 12 GLU CA . 18394 1 141 . 1 1 12 12 GLU CB C 13 30.385 0.007 . 1 . . . A 12 GLU CB . 18394 1 142 . 1 1 12 12 GLU CG C 13 36.269 0.05 . 1 . . . A 12 GLU CG . 18394 1 143 . 1 1 12 12 GLU N N 15 122.514 0.023 . 1 . . . A 12 GLU N . 18394 1 144 . 1 1 13 13 ALA H H 1 8.347 0.002 . 1 . . . A 13 ALA H . 18394 1 145 . 1 1 13 13 ALA HA H 1 4.415 0.002 . 1 . . . A 13 ALA HA . 18394 1 146 . 1 1 13 13 ALA HB1 H 1 1.447 0.003 . 1 . . . A 13 ALA HB1 . 18394 1 147 . 1 1 13 13 ALA HB2 H 1 1.447 0.003 . 1 . . . A 13 ALA HB2 . 18394 1 148 . 1 1 13 13 ALA HB3 H 1 1.447 0.003 . 1 . . . A 13 ALA HB3 . 18394 1 149 . 1 1 13 13 ALA C C 13 177.244 0.007 . 1 . . . A 13 ALA C . 18394 1 150 . 1 1 13 13 ALA CA C 13 52.305 0.003 . 1 . . . A 13 ALA CA . 18394 1 151 . 1 1 13 13 ALA CB C 13 19.578 0.001 . 1 . . . A 13 ALA CB . 18394 1 152 . 1 1 13 13 ALA N N 15 124.793 0.030 . 1 . . . A 13 ALA N . 18394 1 153 . 1 1 14 14 SER H H 1 8.303 0.002 . 1 . . . A 14 SER H . 18394 1 154 . 1 1 14 14 SER HA H 1 4.511 0.003 . 1 . . . A 14 SER HA . 18394 1 155 . 1 1 14 14 SER HB2 H 1 3.914 0.004 . 1 . . . A 14 SER HB2 . 18394 1 156 . 1 1 14 14 SER HB3 H 1 3.914 0.004 . 1 . . . A 14 SER HB3 . 18394 1 157 . 1 1 14 14 SER C C 13 173.855 0.027 . 1 . . . A 14 SER C . 18394 1 158 . 1 1 14 14 SER CA C 13 58.572 0.006 . 1 . . . A 14 SER CA . 18394 1 159 . 1 1 14 14 SER CB C 13 64.060 0.012 . 1 . . . A 14 SER CB . 18394 1 160 . 1 1 14 14 SER N N 15 115.542 0.034 . 1 . . . A 14 SER N . 18394 1 161 . 1 1 15 15 ILE H H 1 8.066 0.003 . 1 . . . A 15 ILE H . 18394 1 162 . 1 1 15 15 ILE HA H 1 4.225 0.004 . 1 . . . A 15 ILE HA . 18394 1 163 . 1 1 15 15 ILE HB H 1 1.919 0.002 . 1 . . . A 15 ILE HB . 18394 1 164 . 1 1 15 15 ILE HG12 H 1 1.372 0.003 . 2 . . . A 15 ILE HG12 . 18394 1 165 . 1 1 15 15 ILE HG13 H 1 1.090 0.003 . 2 . . . A 15 ILE HG13 . 18394 1 166 . 1 1 15 15 ILE HG21 H 1 0.761 0.003 . 1 . . . A 15 ILE HG21 . 18394 1 167 . 1 1 15 15 ILE HG22 H 1 0.761 0.003 . 1 . . . A 15 ILE HG22 . 18394 1 168 . 1 1 15 15 ILE HG23 H 1 0.761 0.003 . 1 . . . A 15 ILE HG23 . 18394 1 169 . 1 1 15 15 ILE HD11 H 1 0.750 0.004 . 1 . . . A 15 ILE HD11 . 18394 1 170 . 1 1 15 15 ILE HD12 H 1 0.750 0.004 . 1 . . . A 15 ILE HD12 . 18394 1 171 . 1 1 15 15 ILE HD13 H 1 0.750 0.004 . 1 . . . A 15 ILE HD13 . 18394 1 172 . 1 1 15 15 ILE C C 13 174.715 0.002 . 1 . . . A 15 ILE C . 18394 1 173 . 1 1 15 15 ILE CA C 13 60.540 0.002 . 1 . . . A 15 ILE CA . 18394 1 174 . 1 1 15 15 ILE CB C 13 39.782 0.005 . 1 . . . A 15 ILE CB . 18394 1 175 . 1 1 15 15 ILE CG1 C 13 28.331 0.002 . 1 . . . A 15 ILE CG1 . 18394 1 176 . 1 1 15 15 ILE CG2 C 13 17.644 0.003 . 1 . . . A 15 ILE CG2 . 18394 1 177 . 1 1 15 15 ILE CD1 C 13 14.952 0.003 . 1 . . . A 15 ILE CD1 . 18394 1 178 . 1 1 15 15 ILE N N 15 121.719 0.034 . 1 . . . A 15 ILE N . 18394 1 179 . 1 1 16 16 ILE H H 1 7.638 0.002 . 1 . . . A 16 ILE H . 18394 1 180 . 1 1 16 16 ILE HA H 1 4.131 0.003 . 1 . . . A 16 ILE HA . 18394 1 181 . 1 1 16 16 ILE HB H 1 1.646 0.004 . 1 . . . A 16 ILE HB . 18394 1 182 . 1 1 16 16 ILE HG12 H 1 1.363 0.003 . 2 . . . A 16 ILE HG12 . 18394 1 183 . 1 1 16 16 ILE HG13 H 1 1.050 0.004 . 2 . . . A 16 ILE HG13 . 18394 1 184 . 1 1 16 16 ILE HG21 H 1 0.958 0.004 . 1 . . . A 16 ILE HG21 . 18394 1 185 . 1 1 16 16 ILE HG22 H 1 0.958 0.004 . 1 . . . A 16 ILE HG22 . 18394 1 186 . 1 1 16 16 ILE HG23 H 1 0.958 0.004 . 1 . . . A 16 ILE HG23 . 18394 1 187 . 1 1 16 16 ILE HD11 H 1 0.556 0.003 . 1 . . . A 16 ILE HD11 . 18394 1 188 . 1 1 16 16 ILE HD12 H 1 0.556 0.003 . 1 . . . A 16 ILE HD12 . 18394 1 189 . 1 1 16 16 ILE HD13 H 1 0.556 0.003 . 1 . . . A 16 ILE HD13 . 18394 1 190 . 1 1 16 16 ILE C C 13 175.159 0.009 . 1 . . . A 16 ILE C . 18394 1 191 . 1 1 16 16 ILE CA C 13 60.206 0.004 . 1 . . . A 16 ILE CA . 18394 1 192 . 1 1 16 16 ILE CB C 13 37.820 0.003 . 1 . . . A 16 ILE CB . 18394 1 193 . 1 1 16 16 ILE CG1 C 13 27.062 0.006 . 1 . . . A 16 ILE CG1 . 18394 1 194 . 1 1 16 16 ILE CG2 C 13 17.970 0.05 . 1 . . . A 16 ILE CG2 . 18394 1 195 . 1 1 16 16 ILE CD1 C 13 13.181 0.005 . 1 . . . A 16 ILE CD1 . 18394 1 196 . 1 1 16 16 ILE N N 15 125.279 0.038 . 1 . . . A 16 ILE N . 18394 1 197 . 1 1 17 17 ASP H H 1 8.476 0.002 . 1 . . . A 17 ASP H . 18394 1 198 . 1 1 17 17 ASP HA H 1 4.479 0.005 . 1 . . . A 17 ASP HA . 18394 1 199 . 1 1 17 17 ASP HB2 H 1 2.648 0.005 . 2 . . . A 17 ASP HB2 . 18394 1 200 . 1 1 17 17 ASP HB3 H 1 2.544 0.002 . 2 . . . A 17 ASP HB3 . 18394 1 201 . 1 1 17 17 ASP C C 13 175.198 0.026 . 1 . . . A 17 ASP C . 18394 1 202 . 1 1 17 17 ASP CA C 13 54.644 0.007 . 1 . . . A 17 ASP CA . 18394 1 203 . 1 1 17 17 ASP CB C 13 41.442 0.028 . 1 . . . A 17 ASP CB . 18394 1 204 . 1 1 17 17 ASP N N 15 126.992 0.028 . 1 . . . A 17 ASP N . 18394 1 205 . 1 1 18 18 ILE H H 1 7.410 0.002 . 1 . . . A 18 ILE H . 18394 1 206 . 1 1 18 18 ILE HA H 1 3.744 0.004 . 1 . . . A 18 ILE HA . 18394 1 207 . 1 1 18 18 ILE HB H 1 1.064 0.005 . 1 . . . A 18 ILE HB . 18394 1 208 . 1 1 18 18 ILE HG12 H 1 0.298 0.004 . 2 . . . A 18 ILE HG12 . 18394 1 209 . 1 1 18 18 ILE HG13 H 1 1.520 0.003 . 2 . . . A 18 ILE HG13 . 18394 1 210 . 1 1 18 18 ILE HG21 H 1 0.133 0.005 . 1 . . . A 18 ILE HG21 . 18394 1 211 . 1 1 18 18 ILE HG22 H 1 0.133 0.005 . 1 . . . A 18 ILE HG22 . 18394 1 212 . 1 1 18 18 ILE HG23 H 1 0.133 0.005 . 1 . . . A 18 ILE HG23 . 18394 1 213 . 1 1 18 18 ILE HD11 H 1 0.190 0.006 . 1 . . . A 18 ILE HD11 . 18394 1 214 . 1 1 18 18 ILE HD12 H 1 0.190 0.006 . 1 . . . A 18 ILE HD12 . 18394 1 215 . 1 1 18 18 ILE HD13 H 1 0.190 0.006 . 1 . . . A 18 ILE HD13 . 18394 1 216 . 1 1 18 18 ILE C C 13 173.870 0.003 . 1 . . . A 18 ILE C . 18394 1 217 . 1 1 18 18 ILE CA C 13 61.346 0.004 . 1 . . . A 18 ILE CA . 18394 1 218 . 1 1 18 18 ILE CB C 13 40.840 0.05 . 1 . . . A 18 ILE CB . 18394 1 219 . 1 1 18 18 ILE CG1 C 13 26.114 0.006 . 1 . . . A 18 ILE CG1 . 18394 1 220 . 1 1 18 18 ILE CG2 C 13 17.015 0.002 . 1 . . . A 18 ILE CG2 . 18394 1 221 . 1 1 18 18 ILE CD1 C 13 14.230 0.002 . 1 . . . A 18 ILE CD1 . 18394 1 222 . 1 1 18 18 ILE N N 15 123.674 0.029 . 1 . . . A 18 ILE N . 18394 1 223 . 1 1 19 19 GLN H H 1 7.078 0.003 . 1 . . . A 19 GLN H . 18394 1 224 . 1 1 19 19 GLN HA H 1 4.936 0.006 . 1 . . . A 19 GLN HA . 18394 1 225 . 1 1 19 19 GLN HB2 H 1 1.986 0.003 . 2 . . . A 19 GLN HB2 . 18394 1 226 . 1 1 19 19 GLN HB3 H 1 1.720 0.003 . 2 . . . A 19 GLN HB3 . 18394 1 227 . 1 1 19 19 GLN HG2 H 1 2.209 0.004 . 1 . . . A 19 GLN HG2 . 18394 1 228 . 1 1 19 19 GLN HG3 H 1 2.209 0.004 . 1 . . . A 19 GLN HG3 . 18394 1 229 . 1 1 19 19 GLN HE21 H 1 7.628 0.001 . 1 . . . A 19 GLN HE21 . 18394 1 230 . 1 1 19 19 GLN HE22 H 1 6.712 0.001 . 1 . . . A 19 GLN HE22 . 18394 1 231 . 1 1 19 19 GLN C C 13 174.248 0.008 . 1 . . . A 19 GLN C . 18394 1 232 . 1 1 19 19 GLN CA C 13 54.627 0.007 . 1 . . . A 19 GLN CA . 18394 1 233 . 1 1 19 19 GLN CB C 13 30.009 0.025 . 1 . . . A 19 GLN CB . 18394 1 234 . 1 1 19 19 GLN CG C 13 33.146 0.004 . 1 . . . A 19 GLN CG . 18394 1 235 . 1 1 19 19 GLN N N 15 123.334 0.037 . 1 . . . A 19 GLN N . 18394 1 236 . 1 1 19 19 GLN NE2 N 15 111.295 0.042 . 1 . . . A 19 GLN NE2 . 18394 1 237 . 1 1 20 20 LEU H H 1 7.573 0.002 . 1 . . . A 20 LEU H . 18394 1 238 . 1 1 20 20 LEU HA H 1 4.933 0.005 . 1 . . . A 20 LEU HA . 18394 1 239 . 1 1 20 20 LEU HB2 H 1 1.519 0.005 . 2 . . . A 20 LEU HB2 . 18394 1 240 . 1 1 20 20 LEU HB3 H 1 1.411 0.003 . 2 . . . A 20 LEU HB3 . 18394 1 241 . 1 1 20 20 LEU HG H 1 1.506 0.006 . 1 . . . A 20 LEU HG . 18394 1 242 . 1 1 20 20 LEU HD11 H 1 1.325 0.005 . 2 . . . A 20 LEU HD11 . 18394 1 243 . 1 1 20 20 LEU HD12 H 1 1.325 0.005 . 2 . . . A 20 LEU HD12 . 18394 1 244 . 1 1 20 20 LEU HD13 H 1 1.325 0.005 . 2 . . . A 20 LEU HD13 . 18394 1 245 . 1 1 20 20 LEU HD21 H 1 0.639 0.005 . 2 . . . A 20 LEU HD21 . 18394 1 246 . 1 1 20 20 LEU HD22 H 1 0.639 0.005 . 2 . . . A 20 LEU HD22 . 18394 1 247 . 1 1 20 20 LEU HD23 H 1 0.639 0.005 . 2 . . . A 20 LEU HD23 . 18394 1 248 . 1 1 20 20 LEU C C 13 174.830 0.012 . 1 . . . A 20 LEU C . 18394 1 249 . 1 1 20 20 LEU CA C 13 52.942 0.017 . 1 . . . A 20 LEU CA . 18394 1 250 . 1 1 20 20 LEU CB C 13 48.800 0.05 . 1 . . . A 20 LEU CB . 18394 1 251 . 1 1 20 20 LEU CG C 13 27.044 0.005 . 1 . . . A 20 LEU CG . 18394 1 252 . 1 1 20 20 LEU CD1 C 13 23.317 0.004 . 2 . . . A 20 LEU CD1 . 18394 1 253 . 1 1 20 20 LEU CD2 C 13 28.161 0.012 . 2 . . . A 20 LEU CD2 . 18394 1 254 . 1 1 20 20 LEU N N 15 124.582 0.031 . 1 . . . A 20 LEU N . 18394 1 255 . 1 1 21 21 LYS H H 1 8.513 0.002 . 1 . . . A 21 LYS H . 18394 1 256 . 1 1 21 21 LYS HA H 1 5.083 0.006 . 1 . . . A 21 LYS HA . 18394 1 257 . 1 1 21 21 LYS HB2 H 1 2.052 0.003 . 2 . . . A 21 LYS HB2 . 18394 1 258 . 1 1 21 21 LYS HB3 H 1 1.640 0.005 . 2 . . . A 21 LYS HB3 . 18394 1 259 . 1 1 21 21 LYS HG2 H 1 1.501 0.003 . 2 . . . A 21 LYS HG2 . 18394 1 260 . 1 1 21 21 LYS HG3 H 1 1.233 0.003 . 2 . . . A 21 LYS HG3 . 18394 1 261 . 1 1 21 21 LYS HD2 H 1 1.648 0.003 . 1 . . . A 21 LYS HD2 . 18394 1 262 . 1 1 21 21 LYS HD3 H 1 1.648 0.003 . 1 . . . A 21 LYS HD3 . 18394 1 263 . 1 1 21 21 LYS HE2 H 1 3.025 0.003 . 1 . . . A 21 LYS HE2 . 18394 1 264 . 1 1 21 21 LYS HE3 H 1 3.025 0.003 . 1 . . . A 21 LYS HE3 . 18394 1 265 . 1 1 21 21 LYS C C 13 177.040 0.028 . 1 . . . A 21 LYS C . 18394 1 266 . 1 1 21 21 LYS CA C 13 56.090 0.006 . 1 . . . A 21 LYS CA . 18394 1 267 . 1 1 21 21 LYS CB C 13 34.984 0.016 . 1 . . . A 21 LYS CB . 18394 1 268 . 1 1 21 21 LYS CG C 13 26.177 0.003 . 1 . . . A 21 LYS CG . 18394 1 269 . 1 1 21 21 LYS CD C 13 29.541 0.006 . 1 . . . A 21 LYS CD . 18394 1 270 . 1 1 21 21 LYS CE C 13 42.088 0.05 . 1 . . . A 21 LYS CE . 18394 1 271 . 1 1 21 21 LYS N N 15 118.739 0.021 . 1 . . . A 21 LYS N . 18394 1 272 . 1 1 22 22 ASP H H 1 8.484 0.002 . 1 . . . A 22 ASP H . 18394 1 273 . 1 1 22 22 ASP HA H 1 5.565 0.004 . 1 . . . A 22 ASP HA . 18394 1 274 . 1 1 22 22 ASP HB2 H 1 3.770 0.006 . 2 . . . A 22 ASP HB2 . 18394 1 275 . 1 1 22 22 ASP HB3 H 1 2.695 0.006 . 2 . . . A 22 ASP HB3 . 18394 1 276 . 1 1 22 22 ASP C C 13 179.403 0.001 . 1 . . . A 22 ASP C . 18394 1 277 . 1 1 22 22 ASP CA C 13 52.205 0.008 . 1 . . . A 22 ASP CA . 18394 1 278 . 1 1 22 22 ASP CB C 13 42.610 0.007 . 1 . . . A 22 ASP CB . 18394 1 279 . 1 1 22 22 ASP N N 15 120.570 0.036 . 1 . . . A 22 ASP N . 18394 1 280 . 1 1 23 23 LEU H H 1 8.124 0.003 . 1 . . . A 23 LEU H . 18394 1 281 . 1 1 23 23 LEU HA H 1 4.041 0.004 . 1 . . . A 23 LEU HA . 18394 1 282 . 1 1 23 23 LEU HB2 H 1 1.602 0.004 . 2 . . . A 23 LEU HB2 . 18394 1 283 . 1 1 23 23 LEU HB3 H 1 1.360 0.003 . 2 . . . A 23 LEU HB3 . 18394 1 284 . 1 1 23 23 LEU HG H 1 1.365 0.01 . 1 . . . A 23 LEU HG . 18394 1 285 . 1 1 23 23 LEU HD11 H 1 0.627 0.004 . 2 . . . A 23 LEU HD11 . 18394 1 286 . 1 1 23 23 LEU HD12 H 1 0.627 0.004 . 2 . . . A 23 LEU HD12 . 18394 1 287 . 1 1 23 23 LEU HD13 H 1 0.627 0.004 . 2 . . . A 23 LEU HD13 . 18394 1 288 . 1 1 23 23 LEU HD21 H 1 0.224 0.004 . 2 . . . A 23 LEU HD21 . 18394 1 289 . 1 1 23 23 LEU HD22 H 1 0.224 0.004 . 2 . . . A 23 LEU HD22 . 18394 1 290 . 1 1 23 23 LEU HD23 H 1 0.224 0.004 . 2 . . . A 23 LEU HD23 . 18394 1 291 . 1 1 23 23 LEU C C 13 178.241 0.001 . 1 . . . A 23 LEU C . 18394 1 292 . 1 1 23 23 LEU CA C 13 58.240 0.006 . 1 . . . A 23 LEU CA . 18394 1 293 . 1 1 23 23 LEU CB C 13 42.615 0.008 . 1 . . . A 23 LEU CB . 18394 1 294 . 1 1 23 23 LEU CG C 13 27.373 0.005 . 1 . . . A 23 LEU CG . 18394 1 295 . 1 1 23 23 LEU CD1 C 13 25.636 0.003 . 2 . . . A 23 LEU CD1 . 18394 1 296 . 1 1 23 23 LEU CD2 C 13 24.715 0.05 . 2 . . . A 23 LEU CD2 . 18394 1 297 . 1 1 23 23 LEU N N 15 118.386 0.035 . 1 . . . A 23 LEU N . 18394 1 298 . 1 1 24 24 LYS H H 1 8.030 0.002 . 1 . . . A 24 LYS H . 18394 1 299 . 1 1 24 24 LYS HA H 1 4.426 0.006 . 1 . . . A 24 LYS HA . 18394 1 300 . 1 1 24 24 LYS HB2 H 1 2.077 0.003 . 2 . . . A 24 LYS HB2 . 18394 1 301 . 1 1 24 24 LYS HB3 H 1 1.943 0.005 . 2 . . . A 24 LYS HB3 . 18394 1 302 . 1 1 24 24 LYS HG2 H 1 1.497 0.003 . 2 . . . A 24 LYS HG2 . 18394 1 303 . 1 1 24 24 LYS HG3 H 1 1.386 0.004 . 2 . . . A 24 LYS HG3 . 18394 1 304 . 1 1 24 24 LYS HD2 H 1 1.676 0.003 . 1 . . . A 24 LYS HD2 . 18394 1 305 . 1 1 24 24 LYS HD3 H 1 1.676 0.003 . 1 . . . A 24 LYS HD3 . 18394 1 306 . 1 1 24 24 LYS HE2 H 1 2.988 0.002 . 1 . . . A 24 LYS HE2 . 18394 1 307 . 1 1 24 24 LYS HE3 H 1 2.988 0.001 . 1 . . . A 24 LYS HE3 . 18394 1 308 . 1 1 24 24 LYS C C 13 176.679 0.005 . 1 . . . A 24 LYS C . 18394 1 309 . 1 1 24 24 LYS CA C 13 55.397 0.006 . 1 . . . A 24 LYS CA . 18394 1 310 . 1 1 24 24 LYS CB C 13 32.801 0.003 . 1 . . . A 24 LYS CB . 18394 1 311 . 1 1 24 24 LYS CG C 13 25.425 0.010 . 1 . . . A 24 LYS CG . 18394 1 312 . 1 1 24 24 LYS CD C 13 28.789 0.05 . 1 . . . A 24 LYS CD . 18394 1 313 . 1 1 24 24 LYS CE C 13 42.044 0.05 . 1 . . . A 24 LYS CE . 18394 1 314 . 1 1 24 24 LYS N N 15 117.724 0.021 . 1 . . . A 24 LYS N . 18394 1 315 . 1 1 25 25 GLY H H 1 8.269 0.002 . 1 . . . A 25 GLY H . 18394 1 316 . 1 1 25 25 GLY HA2 H 1 4.346 0.003 . 2 . . . A 25 GLY HA2 . 18394 1 317 . 1 1 25 25 GLY HA3 H 1 3.739 0.004 . 2 . . . A 25 GLY HA3 . 18394 1 318 . 1 1 25 25 GLY C C 13 174.014 0.002 . 1 . . . A 25 GLY C . 18394 1 319 . 1 1 25 25 GLY CA C 13 45.385 0.003 . 1 . . . A 25 GLY CA . 18394 1 320 . 1 1 25 25 GLY N N 15 107.824 0.047 . 1 . . . A 25 GLY N . 18394 1 321 . 1 1 26 26 ASN H H 1 8.643 0.001 . 1 . . . A 26 ASN H . 18394 1 322 . 1 1 26 26 ASN HA H 1 4.938 0.005 . 1 . . . A 26 ASN HA . 18394 1 323 . 1 1 26 26 ASN HB2 H 1 2.977 0.004 . 2 . . . A 26 ASN HB2 . 18394 1 324 . 1 1 26 26 ASN HB3 H 1 2.657 0.003 . 2 . . . A 26 ASN HB3 . 18394 1 325 . 1 1 26 26 ASN HD21 H 1 7.052 0.001 . 1 . . . A 26 ASN HD21 . 18394 1 326 . 1 1 26 26 ASN HD22 H 1 8.312 0.001 . 1 . . . A 26 ASN HD22 . 18394 1 327 . 1 1 26 26 ASN C C 13 175.342 0.012 . 1 . . . A 26 ASN C . 18394 1 328 . 1 1 26 26 ASN CA C 13 52.434 0.002 . 1 . . . A 26 ASN CA . 18394 1 329 . 1 1 26 26 ASN CB C 13 39.194 0.003 . 1 . . . A 26 ASN CB . 18394 1 330 . 1 1 26 26 ASN N N 15 120.757 0.024 . 1 . . . A 26 ASN N . 18394 1 331 . 1 1 26 26 ASN ND2 N 15 116.236 0.051 . 1 . . . A 26 ASN ND2 . 18394 1 332 . 1 1 27 27 THR H H 1 9.026 0.002 . 1 . . . A 27 THR H . 18394 1 333 . 1 1 27 27 THR HA H 1 4.051 0.006 . 1 . . . A 27 THR HA . 18394 1 334 . 1 1 27 27 THR HB H 1 4.046 0.002 . 1 . . . A 27 THR HB . 18394 1 335 . 1 1 27 27 THR HG21 H 1 1.064 0.003 . 1 . . . A 27 THR HG21 . 18394 1 336 . 1 1 27 27 THR HG22 H 1 1.064 0.003 . 1 . . . A 27 THR HG22 . 18394 1 337 . 1 1 27 27 THR HG23 H 1 1.064 0.003 . 1 . . . A 27 THR HG23 . 18394 1 338 . 1 1 27 27 THR C C 13 173.858 0.05 . 1 . . . A 27 THR C . 18394 1 339 . 1 1 27 27 THR CA C 13 64.595 0.006 . 1 . . . A 27 THR CA . 18394 1 340 . 1 1 27 27 THR CB C 13 68.537 0.009 . 1 . . . A 27 THR CB . 18394 1 341 . 1 1 27 27 THR CG2 C 13 22.093 0.008 . 1 . . . A 27 THR CG2 . 18394 1 342 . 1 1 27 27 THR N N 15 120.881 0.034 . 1 . . . A 27 THR N . 18394 1 343 . 1 1 28 28 ARG H H 1 9.329 0.004 . 1 . . . A 28 ARG H . 18394 1 344 . 1 1 28 28 ARG HA H 1 4.868 0.003 . 1 . . . A 28 ARG HA . 18394 1 345 . 1 1 28 28 ARG HB2 H 1 2.149 0.004 . 2 . . . A 28 ARG HB2 . 18394 1 346 . 1 1 28 28 ARG HB3 H 1 1.875 0.007 . 2 . . . A 28 ARG HB3 . 18394 1 347 . 1 1 28 28 ARG HG2 H 1 1.569 0.003 . 2 . . . A 28 ARG HG2 . 18394 1 348 . 1 1 28 28 ARG HG3 H 1 1.774 0.005 . 2 . . . A 28 ARG HG3 . 18394 1 349 . 1 1 28 28 ARG HD2 H 1 3.415 0.002 . 2 . . . A 28 ARG HD2 . 18394 1 350 . 1 1 28 28 ARG HD3 H 1 3.064 0.005 . 2 . . . A 28 ARG HD3 . 18394 1 351 . 1 1 28 28 ARG HE H 1 7.716 0.01 . 1 . . . A 28 ARG HE . 18394 1 352 . 1 1 28 28 ARG C C 13 175.764 0.008 . 1 . . . A 28 ARG C . 18394 1 353 . 1 1 28 28 ARG CA C 13 52.678 0.001 . 1 . . . A 28 ARG CA . 18394 1 354 . 1 1 28 28 ARG CB C 13 29.672 0.011 . 1 . . . A 28 ARG CB . 18394 1 355 . 1 1 28 28 ARG CG C 13 26.926 0.05 . 1 . . . A 28 ARG CG . 18394 1 356 . 1 1 28 28 ARG CD C 13 40.956 0.004 . 1 . . . A 28 ARG CD . 18394 1 357 . 1 1 28 28 ARG N N 15 128.859 0.027 . 1 . . . A 28 ARG N . 18394 1 358 . 1 1 28 28 ARG NE N 15 82.369 0.05 . 1 . . . A 28 ARG NE . 18394 1 359 . 1 1 29 29 SER H H 1 8.597 0.002 . 1 . . . A 29 SER H . 18394 1 360 . 1 1 29 29 SER HA H 1 6.038 0.005 . 1 . . . A 29 SER HA . 18394 1 361 . 1 1 29 29 SER HB2 H 1 4.014 0.004 . 2 . . . A 29 SER HB2 . 18394 1 362 . 1 1 29 29 SER HB3 H 1 3.969 0.005 . 2 . . . A 29 SER HB3 . 18394 1 363 . 1 1 29 29 SER C C 13 175.783 0.017 . 1 . . . A 29 SER C . 18394 1 364 . 1 1 29 29 SER CA C 13 56.212 0.007 . 1 . . . A 29 SER CA . 18394 1 365 . 1 1 29 29 SER CB C 13 65.283 0.009 . 1 . . . A 29 SER CB . 18394 1 366 . 1 1 29 29 SER N N 15 121.833 0.024 . 1 . . . A 29 SER N . 18394 1 367 . 1 1 30 30 LEU H H 1 8.394 0.002 . 1 . . . A 30 LEU H . 18394 1 368 . 1 1 30 30 LEU HA H 1 3.761 0.005 . 1 . . . A 30 LEU HA . 18394 1 369 . 1 1 30 30 LEU HB2 H 1 1.529 0.003 . 1 . . . A 30 LEU HB2 . 18394 1 370 . 1 1 30 30 LEU HB3 H 1 1.529 0.003 . 1 . . . A 30 LEU HB3 . 18394 1 371 . 1 1 30 30 LEU HG H 1 1.274 0.003 . 1 . . . A 30 LEU HG . 18394 1 372 . 1 1 30 30 LEU HD11 H 1 0.650 0.003 . 2 . . . A 30 LEU HD11 . 18394 1 373 . 1 1 30 30 LEU HD12 H 1 0.650 0.003 . 2 . . . A 30 LEU HD12 . 18394 1 374 . 1 1 30 30 LEU HD13 H 1 0.650 0.003 . 2 . . . A 30 LEU HD13 . 18394 1 375 . 1 1 30 30 LEU HD21 H 1 0.295 0.005 . 2 . . . A 30 LEU HD21 . 18394 1 376 . 1 1 30 30 LEU HD22 H 1 0.295 0.005 . 2 . . . A 30 LEU HD22 . 18394 1 377 . 1 1 30 30 LEU HD23 H 1 0.295 0.005 . 2 . . . A 30 LEU HD23 . 18394 1 378 . 1 1 30 30 LEU C C 13 180.717 0.05 . 1 . . . A 30 LEU C . 18394 1 379 . 1 1 30 30 LEU CA C 13 57.475 0.003 . 1 . . . A 30 LEU CA . 18394 1 380 . 1 1 30 30 LEU CB C 13 41.947 0.003 . 1 . . . A 30 LEU CB . 18394 1 381 . 1 1 30 30 LEU CG C 13 27.162 0.005 . 1 . . . A 30 LEU CG . 18394 1 382 . 1 1 30 30 LEU CD1 C 13 25.495 0.05 . 2 . . . A 30 LEU CD1 . 18394 1 383 . 1 1 30 30 LEU CD2 C 13 24.332 0.05 . 2 . . . A 30 LEU CD2 . 18394 1 384 . 1 1 30 30 LEU N N 15 127.157 0.028 . 1 . . . A 30 LEU N . 18394 1 385 . 1 1 31 31 THR H H 1 8.572 0.002 . 1 . . . A 31 THR H . 18394 1 386 . 1 1 31 31 THR HA H 1 4.392 0.006 . 1 . . . A 31 THR HA . 18394 1 387 . 1 1 31 31 THR HB H 1 4.230 0.002 . 1 . . . A 31 THR HB . 18394 1 388 . 1 1 31 31 THR HG21 H 1 1.274 0.005 . 1 . . . A 31 THR HG21 . 18394 1 389 . 1 1 31 31 THR HG22 H 1 1.274 0.005 . 1 . . . A 31 THR HG22 . 18394 1 390 . 1 1 31 31 THR HG23 H 1 1.274 0.005 . 1 . . . A 31 THR HG23 . 18394 1 391 . 1 1 31 31 THR C C 13 177.631 0.016 . 1 . . . A 31 THR C . 18394 1 392 . 1 1 31 31 THR CA C 13 64.273 0.003 . 1 . . . A 31 THR CA . 18394 1 393 . 1 1 31 31 THR CB C 13 69.100 0.006 . 1 . . . A 31 THR CB . 18394 1 394 . 1 1 31 31 THR CG2 C 13 21.706 0.002 . 1 . . . A 31 THR CG2 . 18394 1 395 . 1 1 31 31 THR N N 15 112.301 0.029 . 1 . . . A 31 THR N . 18394 1 396 . 1 1 32 32 ASP H H 1 7.496 0.002 . 1 . . . A 32 ASP H . 18394 1 397 . 1 1 32 32 ASP HA H 1 4.565 0.004 . 1 . . . A 32 ASP HA . 18394 1 398 . 1 1 32 32 ASP HB2 H 1 2.985 0.004 . 2 . . . A 32 ASP HB2 . 18394 1 399 . 1 1 32 32 ASP HB3 H 1 2.909 0.003 . 2 . . . A 32 ASP HB3 . 18394 1 400 . 1 1 32 32 ASP C C 13 177.149 0.006 . 1 . . . A 32 ASP C . 18394 1 401 . 1 1 32 32 ASP CA C 13 56.187 0.05 . 1 . . . A 32 ASP CA . 18394 1 402 . 1 1 32 32 ASP CB C 13 41.010 0.018 . 1 . . . A 32 ASP CB . 18394 1 403 . 1 1 32 32 ASP N N 15 121.006 0.024 . 1 . . . A 32 ASP N . 18394 1 404 . 1 1 33 33 LEU H H 1 7.565 0.002 . 1 . . . A 33 LEU H . 18394 1 405 . 1 1 33 33 LEU HA H 1 4.385 0.003 . 1 . . . A 33 LEU HA . 18394 1 406 . 1 1 33 33 LEU HB2 H 1 1.744 0.003 . 2 . . . A 33 LEU HB2 . 18394 1 407 . 1 1 33 33 LEU HB3 H 1 1.605 0.001 . 2 . . . A 33 LEU HB3 . 18394 1 408 . 1 1 33 33 LEU HG H 1 1.651 0.004 . 1 . . . A 33 LEU HG . 18394 1 409 . 1 1 33 33 LEU HD11 H 1 0.942 0.004 . 2 . . . A 33 LEU HD11 . 18394 1 410 . 1 1 33 33 LEU HD12 H 1 0.942 0.004 . 2 . . . A 33 LEU HD12 . 18394 1 411 . 1 1 33 33 LEU HD13 H 1 0.942 0.004 . 2 . . . A 33 LEU HD13 . 18394 1 412 . 1 1 33 33 LEU HD21 H 1 0.891 0.005 . 2 . . . A 33 LEU HD21 . 18394 1 413 . 1 1 33 33 LEU HD22 H 1 0.891 0.005 . 2 . . . A 33 LEU HD22 . 18394 1 414 . 1 1 33 33 LEU HD23 H 1 0.891 0.005 . 2 . . . A 33 LEU HD23 . 18394 1 415 . 1 1 33 33 LEU C C 13 175.763 0.008 . 1 . . . A 33 LEU C . 18394 1 416 . 1 1 33 33 LEU CA C 13 53.636 0.011 . 1 . . . A 33 LEU CA . 18394 1 417 . 1 1 33 33 LEU CB C 13 42.529 0.011 . 1 . . . A 33 LEU CB . 18394 1 418 . 1 1 33 33 LEU CG C 13 27.130 0.05 . 1 . . . A 33 LEU CG . 18394 1 419 . 1 1 33 33 LEU CD1 C 13 26.810 0.014 . 2 . . . A 33 LEU CD1 . 18394 1 420 . 1 1 33 33 LEU CD2 C 13 23.443 0.005 . 2 . . . A 33 LEU CD2 . 18394 1 421 . 1 1 33 33 LEU N N 15 117.749 0.037 . 1 . . . A 33 LEU N . 18394 1 422 . 1 1 34 34 LYS H H 1 6.914 0.002 . 1 . . . A 34 LYS H . 18394 1 423 . 1 1 34 34 LYS HA H 1 4.116 0.005 . 1 . . . A 34 LYS HA . 18394 1 424 . 1 1 34 34 LYS HB2 H 1 1.857 0.003 . 2 . . . A 34 LYS HB2 . 18394 1 425 . 1 1 34 34 LYS HB3 H 1 1.708 0.003 . 2 . . . A 34 LYS HB3 . 18394 1 426 . 1 1 34 34 LYS HG2 H 1 1.438 0.007 . 1 . . . A 34 LYS HG2 . 18394 1 427 . 1 1 34 34 LYS HG3 H 1 1.438 0.007 . 1 . . . A 34 LYS HG3 . 18394 1 428 . 1 1 34 34 LYS HD2 H 1 1.736 0.002 . 1 . . . A 34 LYS HD2 . 18394 1 429 . 1 1 34 34 LYS HD3 H 1 1.736 0.003 . 1 . . . A 34 LYS HD3 . 18394 1 430 . 1 1 34 34 LYS HE2 H 1 2.972 0.001 . 1 . . . A 34 LYS HE2 . 18394 1 431 . 1 1 34 34 LYS HE3 H 1 2.972 0.001 . 1 . . . A 34 LYS HE3 . 18394 1 432 . 1 1 34 34 LYS C C 13 176.478 0.035 . 1 . . . A 34 LYS C . 18394 1 433 . 1 1 34 34 LYS CA C 13 59.209 0.012 . 1 . . . A 34 LYS CA . 18394 1 434 . 1 1 34 34 LYS CB C 13 32.224 0.023 . 1 . . . A 34 LYS CB . 18394 1 435 . 1 1 34 34 LYS CG C 13 25.946 0.040 . 1 . . . A 34 LYS CG . 18394 1 436 . 1 1 34 34 LYS CD C 13 29.587 0.011 . 1 . . . A 34 LYS CD . 18394 1 437 . 1 1 34 34 LYS CE C 13 41.951 0.05 . 1 . . . A 34 LYS CE . 18394 1 438 . 1 1 34 34 LYS N N 15 120.816 0.026 . 1 . . . A 34 LYS N . 18394 1 439 . 1 1 35 35 GLY H H 1 8.727 0.001 . 1 . . . A 35 GLY H . 18394 1 440 . 1 1 35 35 GLY HA2 H 1 4.628 0.003 . 2 . . . A 35 GLY HA2 . 18394 1 441 . 1 1 35 35 GLY HA3 H 1 3.670 0.003 . 2 . . . A 35 GLY HA3 . 18394 1 442 . 1 1 35 35 GLY C C 13 173.917 0.008 . 1 . . . A 35 GLY C . 18394 1 443 . 1 1 35 35 GLY CA C 13 44.983 0.004 . 1 . . . A 35 GLY CA . 18394 1 444 . 1 1 35 35 GLY N N 15 115.981 0.023 . 1 . . . A 35 GLY N . 18394 1 445 . 1 1 36 36 LYS H H 1 8.123 0.001 . 1 . . . A 36 LYS H . 18394 1 446 . 1 1 36 36 LYS HA H 1 4.648 0.005 . 1 . . . A 36 LYS HA . 18394 1 447 . 1 1 36 36 LYS HB2 H 1 1.732 0.003 . 2 . . . A 36 LYS HB2 . 18394 1 448 . 1 1 36 36 LYS HB3 H 1 1.593 0.003 . 2 . . . A 36 LYS HB3 . 18394 1 449 . 1 1 36 36 LYS HG2 H 1 1.387 0.007 . 2 . . . A 36 LYS HG2 . 18394 1 450 . 1 1 36 36 LYS HG3 H 1 1.126 0.003 . 2 . . . A 36 LYS HG3 . 18394 1 451 . 1 1 36 36 LYS HD2 H 1 1.449 0.005 . 1 . . . A 36 LYS HD2 . 18394 1 452 . 1 1 36 36 LYS HD3 H 1 1.449 0.005 . 1 . . . A 36 LYS HD3 . 18394 1 453 . 1 1 36 36 LYS HE2 H 1 2.977 0.002 . 1 . . . A 36 LYS HE2 . 18394 1 454 . 1 1 36 36 LYS HE3 H 1 2.977 0.002 . 1 . . . A 36 LYS HE3 . 18394 1 455 . 1 1 36 36 LYS C C 13 175.512 0.006 . 1 . . . A 36 LYS C . 18394 1 456 . 1 1 36 36 LYS CA C 13 55.280 0.010 . 1 . . . A 36 LYS CA . 18394 1 457 . 1 1 36 36 LYS CB C 13 33.799 0.011 . 1 . . . A 36 LYS CB . 18394 1 458 . 1 1 36 36 LYS CG C 13 26.328 0.006 . 1 . . . A 36 LYS CG . 18394 1 459 . 1 1 36 36 LYS CD C 13 30.120 0.003 . 1 . . . A 36 LYS CD . 18394 1 460 . 1 1 36 36 LYS CE C 13 42.124 0.05 . 1 . . . A 36 LYS CE . 18394 1 461 . 1 1 36 36 LYS N N 15 121.425 0.023 . 1 . . . A 36 LYS N . 18394 1 462 . 1 1 37 37 VAL H H 1 8.188 0.002 . 1 . . . A 37 VAL H . 18394 1 463 . 1 1 37 37 VAL HA H 1 4.196 0.004 . 1 . . . A 37 VAL HA . 18394 1 464 . 1 1 37 37 VAL HB H 1 2.031 0.005 . 1 . . . A 37 VAL HB . 18394 1 465 . 1 1 37 37 VAL HG11 H 1 1.165 0.005 . 2 . . . A 37 VAL HG11 . 18394 1 466 . 1 1 37 37 VAL HG12 H 1 1.165 0.005 . 2 . . . A 37 VAL HG12 . 18394 1 467 . 1 1 37 37 VAL HG13 H 1 1.165 0.005 . 2 . . . A 37 VAL HG13 . 18394 1 468 . 1 1 37 37 VAL HG21 H 1 1.004 0.005 . 2 . . . A 37 VAL HG21 . 18394 1 469 . 1 1 37 37 VAL HG22 H 1 1.004 0.005 . 2 . . . A 37 VAL HG22 . 18394 1 470 . 1 1 37 37 VAL HG23 H 1 1.004 0.005 . 2 . . . A 37 VAL HG23 . 18394 1 471 . 1 1 37 37 VAL C C 13 174.862 0.001 . 1 . . . A 37 VAL C . 18394 1 472 . 1 1 37 37 VAL CA C 13 62.903 0.006 . 1 . . . A 37 VAL CA . 18394 1 473 . 1 1 37 37 VAL CB C 13 33.170 0.006 . 1 . . . A 37 VAL CB . 18394 1 474 . 1 1 37 37 VAL CG1 C 13 21.796 0.05 . 2 . . . A 37 VAL CG1 . 18394 1 475 . 1 1 37 37 VAL CG2 C 13 25.117 0.007 . 2 . . . A 37 VAL CG2 . 18394 1 476 . 1 1 37 37 VAL N N 15 120.657 0.026 . 1 . . . A 37 VAL N . 18394 1 477 . 1 1 38 38 VAL H H 1 8.452 0.002 . 1 . . . A 38 VAL H . 18394 1 478 . 1 1 38 38 VAL HA H 1 5.111 0.004 . 1 . . . A 38 VAL HA . 18394 1 479 . 1 1 38 38 VAL HB H 1 1.685 0.006 . 1 . . . A 38 VAL HB . 18394 1 480 . 1 1 38 38 VAL HG11 H 1 0.744 0.005 . 2 . . . A 38 VAL HG11 . 18394 1 481 . 1 1 38 38 VAL HG12 H 1 0.744 0.005 . 2 . . . A 38 VAL HG12 . 18394 1 482 . 1 1 38 38 VAL HG13 H 1 0.744 0.005 . 2 . . . A 38 VAL HG13 . 18394 1 483 . 1 1 38 38 VAL HG21 H 1 0.611 0.004 . 2 . . . A 38 VAL HG21 . 18394 1 484 . 1 1 38 38 VAL HG22 H 1 0.611 0.004 . 2 . . . A 38 VAL HG22 . 18394 1 485 . 1 1 38 38 VAL HG23 H 1 0.611 0.004 . 2 . . . A 38 VAL HG23 . 18394 1 486 . 1 1 38 38 VAL C C 13 174.528 0.025 . 1 . . . A 38 VAL C . 18394 1 487 . 1 1 38 38 VAL CA C 13 59.573 0.006 . 1 . . . A 38 VAL CA . 18394 1 488 . 1 1 38 38 VAL CB C 13 36.212 0.013 . 1 . . . A 38 VAL CB . 18394 1 489 . 1 1 38 38 VAL CG1 C 13 23.253 0.005 . 2 . . . A 38 VAL CG1 . 18394 1 490 . 1 1 38 38 VAL CG2 C 13 22.201 0.05 . 2 . . . A 38 VAL CG2 . 18394 1 491 . 1 1 38 38 VAL N N 15 125.806 0.035 . 1 . . . A 38 VAL N . 18394 1 492 . 1 1 39 39 LEU H H 1 8.400 0.002 . 1 . . . A 39 LEU H . 18394 1 493 . 1 1 39 39 LEU HA H 1 5.361 0.005 . 1 . . . A 39 LEU HA . 18394 1 494 . 1 1 39 39 LEU HB2 H 1 1.903 0.003 . 2 . . . A 39 LEU HB2 . 18394 1 495 . 1 1 39 39 LEU HB3 H 1 1.534 0.002 . 2 . . . A 39 LEU HB3 . 18394 1 496 . 1 1 39 39 LEU HG H 1 1.653 0.006 . 1 . . . A 39 LEU HG . 18394 1 497 . 1 1 39 39 LEU HD11 H 1 0.950 0.005 . 2 . . . A 39 LEU HD11 . 18394 1 498 . 1 1 39 39 LEU HD12 H 1 0.950 0.005 . 2 . . . A 39 LEU HD12 . 18394 1 499 . 1 1 39 39 LEU HD13 H 1 0.950 0.005 . 2 . . . A 39 LEU HD13 . 18394 1 500 . 1 1 39 39 LEU HD21 H 1 0.821 0.005 . 2 . . . A 39 LEU HD21 . 18394 1 501 . 1 1 39 39 LEU HD22 H 1 0.821 0.005 . 2 . . . A 39 LEU HD22 . 18394 1 502 . 1 1 39 39 LEU HD23 H 1 0.821 0.005 . 2 . . . A 39 LEU HD23 . 18394 1 503 . 1 1 39 39 LEU C C 13 175.075 0.024 . 1 . . . A 39 LEU C . 18394 1 504 . 1 1 39 39 LEU CA C 13 53.747 0.005 . 1 . . . A 39 LEU CA . 18394 1 505 . 1 1 39 39 LEU CB C 13 45.037 0.002 . 1 . . . A 39 LEU CB . 18394 1 506 . 1 1 39 39 LEU CG C 13 28.059 0.05 . 1 . . . A 39 LEU CG . 18394 1 507 . 1 1 39 39 LEU CD1 C 13 27.714 0.009 . 2 . . . A 39 LEU CD1 . 18394 1 508 . 1 1 39 39 LEU CD2 C 13 26.295 0.05 . 2 . . . A 39 LEU CD2 . 18394 1 509 . 1 1 39 39 LEU N N 15 128.980 0.030 . 1 . . . A 39 LEU N . 18394 1 510 . 1 1 40 40 ILE H H 1 9.450 0.003 . 1 . . . A 40 ILE H . 18394 1 511 . 1 1 40 40 ILE HA H 1 4.832 0.005 . 1 . . . A 40 ILE HA . 18394 1 512 . 1 1 40 40 ILE HB H 1 1.907 0.004 . 1 . . . A 40 ILE HB . 18394 1 513 . 1 1 40 40 ILE HG12 H 1 1.589 0.007 . 2 . . . A 40 ILE HG12 . 18394 1 514 . 1 1 40 40 ILE HG13 H 1 0.652 0.003 . 2 . . . A 40 ILE HG13 . 18394 1 515 . 1 1 40 40 ILE HG21 H 1 0.552 0.006 . 1 . . . A 40 ILE HG21 . 18394 1 516 . 1 1 40 40 ILE HG22 H 1 0.552 0.006 . 1 . . . A 40 ILE HG22 . 18394 1 517 . 1 1 40 40 ILE HG23 H 1 0.552 0.006 . 1 . . . A 40 ILE HG23 . 18394 1 518 . 1 1 40 40 ILE HD11 H 1 0.688 0.003 . 1 . . . A 40 ILE HD11 . 18394 1 519 . 1 1 40 40 ILE HD12 H 1 0.688 0.003 . 1 . . . A 40 ILE HD12 . 18394 1 520 . 1 1 40 40 ILE HD13 H 1 0.688 0.003 . 1 . . . A 40 ILE HD13 . 18394 1 521 . 1 1 40 40 ILE C C 13 174.342 0.017 . 1 . . . A 40 ILE C . 18394 1 522 . 1 1 40 40 ILE CA C 13 60.807 0.008 . 1 . . . A 40 ILE CA . 18394 1 523 . 1 1 40 40 ILE CB C 13 39.809 0.010 . 1 . . . A 40 ILE CB . 18394 1 524 . 1 1 40 40 ILE CG1 C 13 27.432 0.001 . 1 . . . A 40 ILE CG1 . 18394 1 525 . 1 1 40 40 ILE CG2 C 13 18.769 0.007 . 1 . . . A 40 ILE CG2 . 18394 1 526 . 1 1 40 40 ILE CD1 C 13 15.650 0.002 . 1 . . . A 40 ILE CD1 . 18394 1 527 . 1 1 40 40 ILE N N 15 128.862 0.023 . 1 . . . A 40 ILE N . 18394 1 528 . 1 1 41 41 ASP H H 1 8.677 0.002 . 1 . . . A 41 ASP H . 18394 1 529 . 1 1 41 41 ASP HA H 1 5.763 0.006 . 1 . . . A 41 ASP HA . 18394 1 530 . 1 1 41 41 ASP HB2 H 1 2.307 0.007 . 2 . . . A 41 ASP HB2 . 18394 1 531 . 1 1 41 41 ASP HB3 H 1 2.140 0.005 . 2 . . . A 41 ASP HB3 . 18394 1 532 . 1 1 41 41 ASP C C 13 174.050 0.031 . 1 . . . A 41 ASP C . 18394 1 533 . 1 1 41 41 ASP CA C 13 52.489 0.011 . 1 . . . A 41 ASP CA . 18394 1 534 . 1 1 41 41 ASP CB C 13 45.547 0.005 . 1 . . . A 41 ASP CB . 18394 1 535 . 1 1 41 41 ASP N N 15 128.974 0.036 . 1 . . . A 41 ASP N . 18394 1 536 . 1 1 42 42 PHE H H 1 9.411 0.003 . 1 . . . A 42 PHE H . 18394 1 537 . 1 1 42 42 PHE HA H 1 5.101 0.005 . 1 . . . A 42 PHE HA . 18394 1 538 . 1 1 42 42 PHE HB2 H 1 3.188 0.007 . 2 . . . A 42 PHE HB2 . 18394 1 539 . 1 1 42 42 PHE HB3 H 1 2.655 0.003 . 2 . . . A 42 PHE HB3 . 18394 1 540 . 1 1 42 42 PHE HD1 H 1 7.201 0.008 . 3 . . . A 42 PHE HD1 . 18394 1 541 . 1 1 42 42 PHE HD2 H 1 7.201 0.008 . 3 . . . A 42 PHE HD2 . 18394 1 542 . 1 1 42 42 PHE HE1 H 1 6.661 0.006 . 3 . . . A 42 PHE HE1 . 18394 1 543 . 1 1 42 42 PHE HE2 H 1 6.661 0.006 . 3 . . . A 42 PHE HE2 . 18394 1 544 . 1 1 42 42 PHE HZ H 1 6.371 0.006 . 1 . . . A 42 PHE HZ . 18394 1 545 . 1 1 42 42 PHE C C 13 174.742 0.016 . 1 . . . A 42 PHE C . 18394 1 546 . 1 1 42 42 PHE CA C 13 57.540 0.012 . 1 . . . A 42 PHE CA . 18394 1 547 . 1 1 42 42 PHE CB C 13 40.988 0.017 . 1 . . . A 42 PHE CB . 18394 1 548 . 1 1 42 42 PHE CD1 C 13 131.673 0.012 . 3 . . . A 42 PHE CD1 . 18394 1 549 . 1 1 42 42 PHE CD2 C 13 131.673 0.012 . 3 . . . A 42 PHE CD2 . 18394 1 550 . 1 1 42 42 PHE CE1 C 13 130.961 0.035 . 3 . . . A 42 PHE CE1 . 18394 1 551 . 1 1 42 42 PHE CE2 C 13 130.961 0.035 . 3 . . . A 42 PHE CE2 . 18394 1 552 . 1 1 42 42 PHE CZ C 13 129.217 0.017 . 1 . . . A 42 PHE CZ . 18394 1 553 . 1 1 42 42 PHE N N 15 125.442 0.029 . 1 . . . A 42 PHE N . 18394 1 554 . 1 1 43 43 THR H H 1 8.955 0.002 . 1 . . . A 43 THR H . 18394 1 555 . 1 1 43 43 THR HA H 1 4.583 0.005 . 1 . . . A 43 THR HA . 18394 1 556 . 1 1 43 43 THR HB H 1 4.117 0.003 . 1 . . . A 43 THR HB . 18394 1 557 . 1 1 43 43 THR HG21 H 1 0.804 0.004 . 1 . . . A 43 THR HG21 . 18394 1 558 . 1 1 43 43 THR HG22 H 1 0.804 0.004 . 1 . . . A 43 THR HG22 . 18394 1 559 . 1 1 43 43 THR HG23 H 1 0.804 0.004 . 1 . . . A 43 THR HG23 . 18394 1 560 . 1 1 43 43 THR C C 13 170.994 0.008 . 1 . . . A 43 THR C . 18394 1 561 . 1 1 43 43 THR CA C 13 59.236 0.002 . 1 . . . A 43 THR CA . 18394 1 562 . 1 1 43 43 THR CB C 13 70.846 0.006 . 1 . . . A 43 THR CB . 18394 1 563 . 1 1 43 43 THR CG2 C 13 19.319 0.002 . 1 . . . A 43 THR CG2 . 18394 1 564 . 1 1 43 43 THR N N 15 115.723 0.021 . 1 . . . A 43 THR N . 18394 1 565 . 1 1 44 44 VAL H H 1 7.507 0.002 . 1 . . . A 44 VAL H . 18394 1 566 . 1 1 44 44 VAL HA H 1 4.138 0.003 . 1 . . . A 44 VAL HA . 18394 1 567 . 1 1 44 44 VAL HB H 1 1.914 0.003 . 1 . . . A 44 VAL HB . 18394 1 568 . 1 1 44 44 VAL HG11 H 1 0.838 0.005 . 2 . . . A 44 VAL HG11 . 18394 1 569 . 1 1 44 44 VAL HG12 H 1 0.838 0.005 . 2 . . . A 44 VAL HG12 . 18394 1 570 . 1 1 44 44 VAL HG13 H 1 0.838 0.005 . 2 . . . A 44 VAL HG13 . 18394 1 571 . 1 1 44 44 VAL HG21 H 1 0.825 0.005 . 2 . . . A 44 VAL HG21 . 18394 1 572 . 1 1 44 44 VAL HG22 H 1 0.825 0.005 . 2 . . . A 44 VAL HG22 . 18394 1 573 . 1 1 44 44 VAL HG23 H 1 0.825 0.005 . 2 . . . A 44 VAL HG23 . 18394 1 574 . 1 1 44 44 VAL C C 13 175.809 0.012 . 1 . . . A 44 VAL C . 18394 1 575 . 1 1 44 44 VAL CA C 13 61.240 0.012 . 1 . . . A 44 VAL CA . 18394 1 576 . 1 1 44 44 VAL CB C 13 35.234 0.002 . 1 . . . A 44 VAL CB . 18394 1 577 . 1 1 44 44 VAL CG1 C 13 22.245 0.012 . 2 . . . A 44 VAL CG1 . 18394 1 578 . 1 1 44 44 VAL CG2 C 13 21.838 0.010 . 2 . . . A 44 VAL CG2 . 18394 1 579 . 1 1 44 44 VAL N N 15 119.945 0.023 . 1 . . . A 44 VAL N . 18394 1 580 . 1 1 45 45 TYR H H 1 11.758 0.002 . 1 . . . A 45 TYR H . 18394 1 581 . 1 1 45 45 TYR HA H 1 5.469 0.007 . 1 . . . A 45 TYR HA . 18394 1 582 . 1 1 45 45 TYR HB2 H 1 3.391 0.004 . 2 . . . A 45 TYR HB2 . 18394 1 583 . 1 1 45 45 TYR HB3 H 1 3.309 0.003 . 2 . . . A 45 TYR HB3 . 18394 1 584 . 1 1 45 45 TYR HD1 H 1 7.377 0.008 . 3 . . . A 45 TYR HD1 . 18394 1 585 . 1 1 45 45 TYR HD2 H 1 7.377 0.008 . 3 . . . A 45 TYR HD2 . 18394 1 586 . 1 1 45 45 TYR HE1 H 1 6.941 0.008 . 3 . . . A 45 TYR HE1 . 18394 1 587 . 1 1 45 45 TYR HE2 H 1 6.941 0.008 . 3 . . . A 45 TYR HE2 . 18394 1 588 . 1 1 45 45 TYR C C 13 179.160 0.017 . 1 . . . A 45 TYR C . 18394 1 589 . 1 1 45 45 TYR CA C 13 56.874 0.006 . 1 . . . A 45 TYR CA . 18394 1 590 . 1 1 45 45 TYR CB C 13 37.744 0.006 . 1 . . . A 45 TYR CB . 18394 1 591 . 1 1 45 45 TYR CD1 C 13 132.184 0.014 . 3 . . . A 45 TYR CD1 . 18394 1 592 . 1 1 45 45 TYR CD2 C 13 132.184 0.014 . 3 . . . A 45 TYR CD2 . 18394 1 593 . 1 1 45 45 TYR CE1 C 13 117.570 0.021 . 3 . . . A 45 TYR CE1 . 18394 1 594 . 1 1 45 45 TYR CE2 C 13 117.570 0.021 . 3 . . . A 45 TYR CE2 . 18394 1 595 . 1 1 45 45 TYR N N 15 129.009 0.040 . 1 . . . A 45 TYR N . 18394 1 596 . 1 1 46 46 ASN H H 1 8.974 0.002 . 1 . . . A 46 ASN H . 18394 1 597 . 1 1 46 46 ASN HA H 1 4.749 0.003 . 1 . . . A 46 ASN HA . 18394 1 598 . 1 1 46 46 ASN HB2 H 1 2.764 0.007 . 2 . . . A 46 ASN HB2 . 18394 1 599 . 1 1 46 46 ASN HB3 H 1 2.242 0.004 . 2 . . . A 46 ASN HB3 . 18394 1 600 . 1 1 46 46 ASN HD21 H 1 7.097 0.001 . 1 . . . A 46 ASN HD21 . 18394 1 601 . 1 1 46 46 ASN HD22 H 1 6.602 0.001 . 1 . . . A 46 ASN HD22 . 18394 1 602 . 1 1 46 46 ASN C C 13 174.461 0.021 . 1 . . . A 46 ASN C . 18394 1 603 . 1 1 46 46 ASN CA C 13 51.987 0.003 . 1 . . . A 46 ASN CA . 18394 1 604 . 1 1 46 46 ASN CB C 13 36.635 0.008 . 1 . . . A 46 ASN CB . 18394 1 605 . 1 1 46 46 ASN N N 15 119.330 0.028 . 1 . . . A 46 ASN N . 18394 1 606 . 1 1 46 46 ASN ND2 N 15 110.173 0.046 . 1 . . . A 46 ASN ND2 . 18394 1 607 . 1 1 47 47 ASN H H 1 8.075 0.002 . 1 . . . A 47 ASN H . 18394 1 608 . 1 1 47 47 ASN HA H 1 4.618 0.005 . 1 . . . A 47 ASN HA . 18394 1 609 . 1 1 47 47 ASN HB2 H 1 2.897 0.003 . 2 . . . A 47 ASN HB2 . 18394 1 610 . 1 1 47 47 ASN HB3 H 1 2.718 0.005 . 2 . . . A 47 ASN HB3 . 18394 1 611 . 1 1 47 47 ASN HD21 H 1 7.748 0.001 . 1 . . . A 47 ASN HD21 . 18394 1 612 . 1 1 47 47 ASN HD22 H 1 6.903 0.01 . 1 . . . A 47 ASN HD22 . 18394 1 613 . 1 1 47 47 ASN C C 13 175.954 0.05 . 1 . . . A 47 ASN C . 18394 1 614 . 1 1 47 47 ASN CA C 13 53.394 0.006 . 1 . . . A 47 ASN CA . 18394 1 615 . 1 1 47 47 ASN CB C 13 41.420 0.025 . 1 . . . A 47 ASN CB . 18394 1 616 . 1 1 47 47 ASN N N 15 119.307 0.046 . 1 . . . A 47 ASN N . 18394 1 617 . 1 1 47 47 ASN ND2 N 15 113.349 0.023 . 1 . . . A 47 ASN ND2 . 18394 1 618 . 1 1 48 48 ALA HA H 1 4.315 0.002 . 1 . . . A 48 ALA HA . 18394 1 619 . 1 1 48 48 ALA HB1 H 1 1.559 0.004 . 1 . . . A 48 ALA HB1 . 18394 1 620 . 1 1 48 48 ALA HB2 H 1 1.559 0.004 . 1 . . . A 48 ALA HB2 . 18394 1 621 . 1 1 48 48 ALA HB3 H 1 1.559 0.004 . 1 . . . A 48 ALA HB3 . 18394 1 622 . 1 1 48 48 ALA C C 13 178.729 0.030 . 1 . . . A 48 ALA C . 18394 1 623 . 1 1 48 48 ALA CA C 13 55.052 0.05 . 1 . . . A 48 ALA CA . 18394 1 624 . 1 1 48 48 ALA CB C 13 18.953 0.003 . 1 . . . A 48 ALA CB . 18394 1 625 . 1 1 49 49 MET H H 1 8.572 0.003 . 1 . . . A 49 MET H . 18394 1 626 . 1 1 49 49 MET HA H 1 4.701 0.003 . 1 . . . A 49 MET HA . 18394 1 627 . 1 1 49 49 MET HB2 H 1 2.270 0.002 . 2 . . . A 49 MET HB2 . 18394 1 628 . 1 1 49 49 MET HB3 H 1 2.160 0.007 . 2 . . . A 49 MET HB3 . 18394 1 629 . 1 1 49 49 MET HG2 H 1 2.688 0.006 . 2 . . . A 49 MET HG2 . 18394 1 630 . 1 1 49 49 MET HG3 H 1 2.650 0.006 . 2 . . . A 49 MET HG3 . 18394 1 631 . 1 1 49 49 MET HE1 H 1 1.471 0.01 . 1 . . . A 49 MET HE1 . 18394 1 632 . 1 1 49 49 MET HE2 H 1 1.471 0.01 . 1 . . . A 49 MET HE2 . 18394 1 633 . 1 1 49 49 MET HE3 H 1 1.471 0.01 . 1 . . . A 49 MET HE3 . 18394 1 634 . 1 1 49 49 MET C C 13 177.501 0.018 . 1 . . . A 49 MET C . 18394 1 635 . 1 1 49 49 MET CA C 13 56.023 0.013 . 1 . . . A 49 MET CA . 18394 1 636 . 1 1 49 49 MET CB C 13 32.225 0.026 . 1 . . . A 49 MET CB . 18394 1 637 . 1 1 49 49 MET CG C 13 32.539 0.011 . 1 . . . A 49 MET CG . 18394 1 638 . 1 1 49 49 MET CE C 13 16.228 0.05 . 1 . . . A 49 MET CE . 18394 1 639 . 1 1 49 49 MET N N 15 114.764 0.043 . 1 . . . A 49 MET N . 18394 1 640 . 1 1 50 50 SER H H 1 7.854 0.003 . 1 . . . A 50 SER H . 18394 1 641 . 1 1 50 50 SER HA H 1 4.300 0.004 . 1 . . . A 50 SER HA . 18394 1 642 . 1 1 50 50 SER HB2 H 1 4.479 0.004 . 2 . . . A 50 SER HB2 . 18394 1 643 . 1 1 50 50 SER HB3 H 1 4.361 0.003 . 2 . . . A 50 SER HB3 . 18394 1 644 . 1 1 50 50 SER C C 13 177.054 0.05 . 1 . . . A 50 SER C . 18394 1 645 . 1 1 50 50 SER CA C 13 61.759 0.012 . 1 . . . A 50 SER CA . 18394 1 646 . 1 1 50 50 SER CB C 13 63.246 0.004 . 1 . . . A 50 SER CB . 18394 1 647 . 1 1 50 50 SER N N 15 115.359 0.030 . 1 . . . A 50 SER N . 18394 1 648 . 1 1 51 51 ALA H H 1 8.874 0.003 . 1 . . . A 51 ALA H . 18394 1 649 . 1 1 51 51 ALA HA H 1 4.267 0.003 . 1 . . . A 51 ALA HA . 18394 1 650 . 1 1 51 51 ALA HB1 H 1 1.601 0.002 . 1 . . . A 51 ALA HB1 . 18394 1 651 . 1 1 51 51 ALA HB2 H 1 1.601 0.002 . 1 . . . A 51 ALA HB2 . 18394 1 652 . 1 1 51 51 ALA HB3 H 1 1.601 0.002 . 1 . . . A 51 ALA HB3 . 18394 1 653 . 1 1 51 51 ALA C C 13 181.150 0.002 . 1 . . . A 51 ALA C . 18394 1 654 . 1 1 51 51 ALA CA C 13 56.055 0.002 . 1 . . . A 51 ALA CA . 18394 1 655 . 1 1 51 51 ALA CB C 13 18.213 0.002 . 1 . . . A 51 ALA CB . 18394 1 656 . 1 1 51 51 ALA N N 15 123.092 0.032 . 1 . . . A 51 ALA N . 18394 1 657 . 1 1 52 52 ALA H H 1 8.684 0.004 . 1 . . . A 52 ALA H . 18394 1 658 . 1 1 52 52 ALA HA H 1 4.293 0.010 . 1 . . . A 52 ALA HA . 18394 1 659 . 1 1 52 52 ALA HB1 H 1 1.563 0.005 . 1 . . . A 52 ALA HB1 . 18394 1 660 . 1 1 52 52 ALA HB2 H 1 1.563 0.005 . 1 . . . A 52 ALA HB2 . 18394 1 661 . 1 1 52 52 ALA HB3 H 1 1.563 0.005 . 1 . . . A 52 ALA HB3 . 18394 1 662 . 1 1 52 52 ALA C C 13 180.887 0.008 . 1 . . . A 52 ALA C . 18394 1 663 . 1 1 52 52 ALA CA C 13 55.038 0.006 . 1 . . . A 52 ALA CA . 18394 1 664 . 1 1 52 52 ALA CB C 13 18.947 0.003 . 1 . . . A 52 ALA CB . 18394 1 665 . 1 1 52 52 ALA N N 15 121.006 0.033 . 1 . . . A 52 ALA N . 18394 1 666 . 1 1 53 53 HIS H H 1 8.152 0.003 . 1 . . . A 53 HIS H . 18394 1 667 . 1 1 53 53 HIS HA H 1 4.609 0.003 . 1 . . . A 53 HIS HA . 18394 1 668 . 1 1 53 53 HIS HB2 H 1 3.681 0.005 . 2 . . . A 53 HIS HB2 . 18394 1 669 . 1 1 53 53 HIS HB3 H 1 3.277 0.006 . 2 . . . A 53 HIS HB3 . 18394 1 670 . 1 1 53 53 HIS HD2 H 1 7.258 0.006 . 1 . . . A 53 HIS HD2 . 18394 1 671 . 1 1 53 53 HIS HE1 H 1 7.859 0.003 . 1 . . . A 53 HIS HE1 . 18394 1 672 . 1 1 53 53 HIS C C 13 176.652 0.009 . 1 . . . A 53 HIS C . 18394 1 673 . 1 1 53 53 HIS CA C 13 59.239 0.004 . 1 . . . A 53 HIS CA . 18394 1 674 . 1 1 53 53 HIS CB C 13 28.762 0.029 . 1 . . . A 53 HIS CB . 18394 1 675 . 1 1 53 53 HIS CD2 C 13 123.633 0.030 . 1 . . . A 53 HIS CD2 . 18394 1 676 . 1 1 53 53 HIS CE1 C 13 136.145 0.013 . 1 . . . A 53 HIS CE1 . 18394 1 677 . 1 1 53 53 HIS N N 15 120.494 0.040 . 1 . . . A 53 HIS N . 18394 1 678 . 1 1 54 54 ASN H H 1 9.016 0.003 . 1 . . . A 54 ASN H . 18394 1 679 . 1 1 54 54 ASN HA H 1 4.756 0.003 . 1 . . . A 54 ASN HA . 18394 1 680 . 1 1 54 54 ASN HB2 H 1 3.176 0.004 . 2 . . . A 54 ASN HB2 . 18394 1 681 . 1 1 54 54 ASN HB3 H 1 2.932 0.004 . 2 . . . A 54 ASN HB3 . 18394 1 682 . 1 1 54 54 ASN HD21 H 1 5.634 0.001 . 1 . . . A 54 ASN HD21 . 18394 1 683 . 1 1 54 54 ASN HD22 H 1 8.106 0.001 . 1 . . . A 54 ASN HD22 . 18394 1 684 . 1 1 54 54 ASN C C 13 178.608 0.016 . 1 . . . A 54 ASN C . 18394 1 685 . 1 1 54 54 ASN CA C 13 55.400 0.003 . 1 . . . A 54 ASN CA . 18394 1 686 . 1 1 54 54 ASN CB C 13 36.984 0.004 . 1 . . . A 54 ASN CB . 18394 1 687 . 1 1 54 54 ASN N N 15 117.176 0.021 . 1 . . . A 54 ASN N . 18394 1 688 . 1 1 54 54 ASN ND2 N 15 108.590 0.034 . 1 . . . A 54 ASN ND2 . 18394 1 689 . 1 1 55 55 LEU H H 1 8.187 0.002 . 1 . . . A 55 LEU H . 18394 1 690 . 1 1 55 55 LEU HA H 1 4.267 0.004 . 1 . . . A 55 LEU HA . 18394 1 691 . 1 1 55 55 LEU HB2 H 1 1.954 0.004 . 2 . . . A 55 LEU HB2 . 18394 1 692 . 1 1 55 55 LEU HB3 H 1 1.833 0.004 . 2 . . . A 55 LEU HB3 . 18394 1 693 . 1 1 55 55 LEU HG H 1 1.856 0.002 . 1 . . . A 55 LEU HG . 18394 1 694 . 1 1 55 55 LEU HD11 H 1 0.989 0.003 . 2 . . . A 55 LEU HD11 . 18394 1 695 . 1 1 55 55 LEU HD12 H 1 0.989 0.003 . 2 . . . A 55 LEU HD12 . 18394 1 696 . 1 1 55 55 LEU HD13 H 1 0.989 0.003 . 2 . . . A 55 LEU HD13 . 18394 1 697 . 1 1 55 55 LEU HD21 H 1 1.010 0.007 . 2 . . . A 55 LEU HD21 . 18394 1 698 . 1 1 55 55 LEU HD22 H 1 1.010 0.007 . 2 . . . A 55 LEU HD22 . 18394 1 699 . 1 1 55 55 LEU HD23 H 1 1.010 0.007 . 2 . . . A 55 LEU HD23 . 18394 1 700 . 1 1 55 55 LEU C C 13 179.125 0.005 . 1 . . . A 55 LEU C . 18394 1 701 . 1 1 55 55 LEU CA C 13 58.615 0.004 . 1 . . . A 55 LEU CA . 18394 1 702 . 1 1 55 55 LEU CB C 13 41.789 0.002 . 1 . . . A 55 LEU CB . 18394 1 703 . 1 1 55 55 LEU CG C 13 27.054 0.001 . 1 . . . A 55 LEU CG . 18394 1 704 . 1 1 55 55 LEU CD1 C 13 24.079 0.001 . 2 . . . A 55 LEU CD1 . 18394 1 705 . 1 1 55 55 LEU CD2 C 13 24.699 0.007 . 2 . . . A 55 LEU CD2 . 18394 1 706 . 1 1 55 55 LEU N N 15 122.922 0.041 . 1 . . . A 55 LEU N . 18394 1 707 . 1 1 56 56 ALA H H 1 7.725 0.002 . 1 . . . A 56 ALA H . 18394 1 708 . 1 1 56 56 ALA HA H 1 4.262 0.004 . 1 . . . A 56 ALA HA . 18394 1 709 . 1 1 56 56 ALA HB1 H 1 1.604 0.006 . 1 . . . A 56 ALA HB1 . 18394 1 710 . 1 1 56 56 ALA HB2 H 1 1.604 0.006 . 1 . . . A 56 ALA HB2 . 18394 1 711 . 1 1 56 56 ALA HB3 H 1 1.604 0.006 . 1 . . . A 56 ALA HB3 . 18394 1 712 . 1 1 56 56 ALA C C 13 181.692 0.014 . 1 . . . A 56 ALA C . 18394 1 713 . 1 1 56 56 ALA CA C 13 55.037 0.008 . 1 . . . A 56 ALA CA . 18394 1 714 . 1 1 56 56 ALA CB C 13 17.477 0.004 . 1 . . . A 56 ALA CB . 18394 1 715 . 1 1 56 56 ALA N N 15 123.266 0.024 . 1 . . . A 56 ALA N . 18394 1 716 . 1 1 57 57 LEU H H 1 8.134 0.002 . 1 . . . A 57 LEU H . 18394 1 717 . 1 1 57 57 LEU HA H 1 3.860 0.006 . 1 . . . A 57 LEU HA . 18394 1 718 . 1 1 57 57 LEU HB2 H 1 1.776 0.006 . 2 . . . A 57 LEU HB2 . 18394 1 719 . 1 1 57 57 LEU HB3 H 1 0.686 0.005 . 2 . . . A 57 LEU HB3 . 18394 1 720 . 1 1 57 57 LEU HG H 1 1.274 0.004 . 1 . . . A 57 LEU HG . 18394 1 721 . 1 1 57 57 LEU HD11 H 1 0.404 0.007 . 2 . . . A 57 LEU HD11 . 18394 1 722 . 1 1 57 57 LEU HD12 H 1 0.404 0.007 . 2 . . . A 57 LEU HD12 . 18394 1 723 . 1 1 57 57 LEU HD13 H 1 0.404 0.007 . 2 . . . A 57 LEU HD13 . 18394 1 724 . 1 1 57 57 LEU HD21 H 1 0.299 0.007 . 2 . . . A 57 LEU HD21 . 18394 1 725 . 1 1 57 57 LEU HD22 H 1 0.299 0.007 . 2 . . . A 57 LEU HD22 . 18394 1 726 . 1 1 57 57 LEU HD23 H 1 0.299 0.007 . 2 . . . A 57 LEU HD23 . 18394 1 727 . 1 1 57 57 LEU C C 13 178.814 0.020 . 1 . . . A 57 LEU C . 18394 1 728 . 1 1 57 57 LEU CA C 13 57.958 0.010 . 1 . . . A 57 LEU CA . 18394 1 729 . 1 1 57 57 LEU CB C 13 40.934 0.021 . 1 . . . A 57 LEU CB . 18394 1 730 . 1 1 57 57 LEU CG C 13 26.680 0.002 . 1 . . . A 57 LEU CG . 18394 1 731 . 1 1 57 57 LEU CD1 C 13 22.438 0.05 . 2 . . . A 57 LEU CD1 . 18394 1 732 . 1 1 57 57 LEU CD2 C 13 24.752 0.05 . 2 . . . A 57 LEU CD2 . 18394 1 733 . 1 1 57 57 LEU N N 15 118.912 0.035 . 1 . . . A 57 LEU N . 18394 1 734 . 1 1 58 58 ARG H H 1 8.756 0.002 . 1 . . . A 58 ARG H . 18394 1 735 . 1 1 58 58 ARG HA H 1 4.373 0.005 . 1 . . . A 58 ARG HA . 18394 1 736 . 1 1 58 58 ARG HB2 H 1 2.240 0.008 . 2 . . . A 58 ARG HB2 . 18394 1 737 . 1 1 58 58 ARG HB3 H 1 2.310 0.006 . 2 . . . A 58 ARG HB3 . 18394 1 738 . 1 1 58 58 ARG HG2 H 1 1.990 0.006 . 2 . . . A 58 ARG HG2 . 18394 1 739 . 1 1 58 58 ARG HG3 H 1 1.898 0.004 . 2 . . . A 58 ARG HG3 . 18394 1 740 . 1 1 58 58 ARG HD2 H 1 3.315 0.008 . 2 . . . A 58 ARG HD2 . 18394 1 741 . 1 1 58 58 ARG HD3 H 1 3.285 0.005 . 2 . . . A 58 ARG HD3 . 18394 1 742 . 1 1 58 58 ARG C C 13 178.156 0.003 . 1 . . . A 58 ARG C . 18394 1 743 . 1 1 58 58 ARG CA C 13 59.974 0.006 . 1 . . . A 58 ARG CA . 18394 1 744 . 1 1 58 58 ARG CB C 13 30.278 0.008 . 1 . . . A 58 ARG CB . 18394 1 745 . 1 1 58 58 ARG CG C 13 28.678 0.007 . 1 . . . A 58 ARG CG . 18394 1 746 . 1 1 58 58 ARG CD C 13 43.865 0.004 . 1 . . . A 58 ARG CD . 18394 1 747 . 1 1 58 58 ARG N N 15 120.557 0.030 . 1 . . . A 58 ARG N . 18394 1 748 . 1 1 59 59 GLU H H 1 7.886 0.002 . 1 . . . A 59 GLU H . 18394 1 749 . 1 1 59 59 GLU HA H 1 4.209 0.004 . 1 . . . A 59 GLU HA . 18394 1 750 . 1 1 59 59 GLU HB2 H 1 2.278 0.003 . 2 . . . A 59 GLU HB2 . 18394 1 751 . 1 1 59 59 GLU HB3 H 1 2.183 0.002 . 2 . . . A 59 GLU HB3 . 18394 1 752 . 1 1 59 59 GLU HG2 H 1 2.488 0.002 . 2 . . . A 59 GLU HG2 . 18394 1 753 . 1 1 59 59 GLU HG3 H 1 2.350 0.001 . 2 . . . A 59 GLU HG3 . 18394 1 754 . 1 1 59 59 GLU C C 13 179.762 0.007 . 1 . . . A 59 GLU C . 18394 1 755 . 1 1 59 59 GLU CA C 13 59.734 0.003 . 1 . . . A 59 GLU CA . 18394 1 756 . 1 1 59 59 GLU CB C 13 29.415 0.004 . 1 . . . A 59 GLU CB . 18394 1 757 . 1 1 59 59 GLU CG C 13 36.278 0.001 . 1 . . . A 59 GLU CG . 18394 1 758 . 1 1 59 59 GLU N N 15 119.103 0.040 . 1 . . . A 59 GLU N . 18394 1 759 . 1 1 60 60 LEU H H 1 7.313 0.002 . 1 . . . A 60 LEU H . 18394 1 760 . 1 1 60 60 LEU HA H 1 4.051 0.006 . 1 . . . A 60 LEU HA . 18394 1 761 . 1 1 60 60 LEU HB2 H 1 1.532 0.005 . 2 . . . A 60 LEU HB2 . 18394 1 762 . 1 1 60 60 LEU HB3 H 1 1.882 0.002 . 2 . . . A 60 LEU HB3 . 18394 1 763 . 1 1 60 60 LEU HG H 1 1.994 0.004 . 1 . . . A 60 LEU HG . 18394 1 764 . 1 1 60 60 LEU HD11 H 1 0.939 0.006 . 2 . . . A 60 LEU HD11 . 18394 1 765 . 1 1 60 60 LEU HD12 H 1 0.939 0.006 . 2 . . . A 60 LEU HD12 . 18394 1 766 . 1 1 60 60 LEU HD13 H 1 0.939 0.006 . 2 . . . A 60 LEU HD13 . 18394 1 767 . 1 1 60 60 LEU HD21 H 1 0.872 0.005 . 2 . . . A 60 LEU HD21 . 18394 1 768 . 1 1 60 60 LEU HD22 H 1 0.872 0.005 . 2 . . . A 60 LEU HD22 . 18394 1 769 . 1 1 60 60 LEU HD23 H 1 0.872 0.005 . 2 . . . A 60 LEU HD23 . 18394 1 770 . 1 1 60 60 LEU C C 13 178.287 0.003 . 1 . . . A 60 LEU C . 18394 1 771 . 1 1 60 60 LEU CA C 13 57.583 0.004 . 1 . . . A 60 LEU CA . 18394 1 772 . 1 1 60 60 LEU CB C 13 42.787 0.013 . 1 . . . A 60 LEU CB . 18394 1 773 . 1 1 60 60 LEU CG C 13 26.397 0.05 . 1 . . . A 60 LEU CG . 18394 1 774 . 1 1 60 60 LEU CD1 C 13 23.041 0.001 . 2 . . . A 60 LEU CD1 . 18394 1 775 . 1 1 60 60 LEU CD2 C 13 26.075 0.018 . 2 . . . A 60 LEU CD2 . 18394 1 776 . 1 1 60 60 LEU N N 15 118.254 0.039 . 1 . . . A 60 LEU N . 18394 1 777 . 1 1 61 61 TYR H H 1 9.285 0.002 . 1 . . . A 61 TYR H . 18394 1 778 . 1 1 61 61 TYR HA H 1 4.237 0.004 . 1 . . . A 61 TYR HA . 18394 1 779 . 1 1 61 61 TYR HB2 H 1 3.505 0.005 . 2 . . . A 61 TYR HB2 . 18394 1 780 . 1 1 61 61 TYR HB3 H 1 3.445 0.004 . 2 . . . A 61 TYR HB3 . 18394 1 781 . 1 1 61 61 TYR HD1 H 1 7.230 0.008 . 3 . . . A 61 TYR HD1 . 18394 1 782 . 1 1 61 61 TYR HD2 H 1 7.230 0.008 . 3 . . . A 61 TYR HD2 . 18394 1 783 . 1 1 61 61 TYR HE1 H 1 7.200 0.005 . 3 . . . A 61 TYR HE1 . 18394 1 784 . 1 1 61 61 TYR HE2 H 1 7.200 0.005 . 3 . . . A 61 TYR HE2 . 18394 1 785 . 1 1 61 61 TYR C C 13 178.279 0.012 . 1 . . . A 61 TYR C . 18394 1 786 . 1 1 61 61 TYR CA C 13 63.773 0.002 . 1 . . . A 61 TYR CA . 18394 1 787 . 1 1 61 61 TYR CB C 13 39.940 0.009 . 1 . . . A 61 TYR CB . 18394 1 788 . 1 1 61 61 TYR CD1 C 13 132.846 0.034 . 3 . . . A 61 TYR CD1 . 18394 1 789 . 1 1 61 61 TYR CD2 C 13 132.846 0.034 . 3 . . . A 61 TYR CD2 . 18394 1 790 . 1 1 61 61 TYR CE1 C 13 119.299 0.029 . 3 . . . A 61 TYR CE1 . 18394 1 791 . 1 1 61 61 TYR CE2 C 13 119.299 0.029 . 3 . . . A 61 TYR CE2 . 18394 1 792 . 1 1 61 61 TYR N N 15 122.128 0.030 . 1 . . . A 61 TYR N . 18394 1 793 . 1 1 62 62 ASN H H 1 9.053 0.003 . 1 . . . A 62 ASN H . 18394 1 794 . 1 1 62 62 ASN HA H 1 4.537 0.003 . 1 . . . A 62 ASN HA . 18394 1 795 . 1 1 62 62 ASN HB2 H 1 3.017 0.005 . 2 . . . A 62 ASN HB2 . 18394 1 796 . 1 1 62 62 ASN HB3 H 1 2.916 0.006 . 2 . . . A 62 ASN HB3 . 18394 1 797 . 1 1 62 62 ASN HD21 H 1 7.720 0.001 . 1 . . . A 62 ASN HD21 . 18394 1 798 . 1 1 62 62 ASN HD22 H 1 6.899 0.001 . 1 . . . A 62 ASN HD22 . 18394 1 799 . 1 1 62 62 ASN C C 13 177.759 0.008 . 1 . . . A 62 ASN C . 18394 1 800 . 1 1 62 62 ASN CA C 13 55.422 0.005 . 1 . . . A 62 ASN CA . 18394 1 801 . 1 1 62 62 ASN CB C 13 37.833 0.012 . 1 . . . A 62 ASN CB . 18394 1 802 . 1 1 62 62 ASN N N 15 116.128 0.022 . 1 . . . A 62 ASN N . 18394 1 803 . 1 1 62 62 ASN ND2 N 15 110.879 0.040 . 1 . . . A 62 ASN ND2 . 18394 1 804 . 1 1 63 63 LYS H H 1 7.365 0.002 . 1 . . . A 63 LYS H . 18394 1 805 . 1 1 63 63 LYS HA H 1 3.929 0.004 . 1 . . . A 63 LYS HA . 18394 1 806 . 1 1 63 63 LYS HB2 H 1 1.303 0.005 . 2 . . . A 63 LYS HB2 . 18394 1 807 . 1 1 63 63 LYS HB3 H 1 0.929 0.006 . 2 . . . A 63 LYS HB3 . 18394 1 808 . 1 1 63 63 LYS HG2 H 1 1.156 0.003 . 2 . . . A 63 LYS HG2 . 18394 1 809 . 1 1 63 63 LYS HG3 H 1 0.583 0.001 . 2 . . . A 63 LYS HG3 . 18394 1 810 . 1 1 63 63 LYS HD2 H 1 1.390 0.007 . 1 . . . A 63 LYS HD2 . 18394 1 811 . 1 1 63 63 LYS HD3 H 1 1.390 0.007 . 1 . . . A 63 LYS HD3 . 18394 1 812 . 1 1 63 63 LYS HE2 H 1 2.723 0.001 . 1 . . . A 63 LYS HE2 . 18394 1 813 . 1 1 63 63 LYS HE3 H 1 2.723 0.001 . 1 . . . A 63 LYS HE3 . 18394 1 814 . 1 1 63 63 LYS C C 13 178.842 0.023 . 1 . . . A 63 LYS C . 18394 1 815 . 1 1 63 63 LYS CA C 13 59.333 0.002 . 1 . . . A 63 LYS CA . 18394 1 816 . 1 1 63 63 LYS CB C 13 33.252 0.003 . 1 . . . A 63 LYS CB . 18394 1 817 . 1 1 63 63 LYS CG C 13 25.136 0.007 . 1 . . . A 63 LYS CG . 18394 1 818 . 1 1 63 63 LYS CD C 13 30.052 0.004 . 1 . . . A 63 LYS CD . 18394 1 819 . 1 1 63 63 LYS CE C 13 41.673 0.002 . 1 . . . A 63 LYS CE . 18394 1 820 . 1 1 63 63 LYS N N 15 118.110 0.020 . 1 . . . A 63 LYS N . 18394 1 821 . 1 1 64 64 TYR H H 1 7.845 0.002 . 1 . . . A 64 TYR H . 18394 1 822 . 1 1 64 64 TYR HA H 1 4.852 0.006 . 1 . . . A 64 TYR HA . 18394 1 823 . 1 1 64 64 TYR HB2 H 1 2.836 0.006 . 2 . . . A 64 TYR HB2 . 18394 1 824 . 1 1 64 64 TYR HB3 H 1 2.236 0.007 . 2 . . . A 64 TYR HB3 . 18394 1 825 . 1 1 64 64 TYR HD1 H 1 6.734 0.008 . 3 . . . A 64 TYR HD1 . 18394 1 826 . 1 1 64 64 TYR HD2 H 1 6.734 0.008 . 3 . . . A 64 TYR HD2 . 18394 1 827 . 1 1 64 64 TYR HE1 H 1 6.652 0.006 . 3 . . . A 64 TYR HE1 . 18394 1 828 . 1 1 64 64 TYR HE2 H 1 6.652 0.006 . 3 . . . A 64 TYR HE2 . 18394 1 829 . 1 1 64 64 TYR C C 13 177.472 0.051 . 1 . . . A 64 TYR C . 18394 1 830 . 1 1 64 64 TYR CA C 13 58.903 0.013 . 1 . . . A 64 TYR CA . 18394 1 831 . 1 1 64 64 TYR CB C 13 40.694 0.009 . 1 . . . A 64 TYR CB . 18394 1 832 . 1 1 64 64 TYR CD1 C 13 133.259 0.012 . 3 . . . A 64 TYR CD1 . 18394 1 833 . 1 1 64 64 TYR CD2 C 13 133.259 0.012 . 3 . . . A 64 TYR CD2 . 18394 1 834 . 1 1 64 64 TYR CE1 C 13 116.935 0.018 . 3 . . . A 64 TYR CE1 . 18394 1 835 . 1 1 64 64 TYR CE2 C 13 116.935 0.018 . 3 . . . A 64 TYR CE2 . 18394 1 836 . 1 1 64 64 TYR N N 15 113.631 0.026 . 1 . . . A 64 TYR N . 18394 1 837 . 1 1 65 65 ALA H H 1 9.038 0.002 . 1 . . . A 65 ALA H . 18394 1 838 . 1 1 65 65 ALA HA H 1 4.749 0.006 . 1 . . . A 65 ALA HA . 18394 1 839 . 1 1 65 65 ALA HB1 H 1 0.886 0.004 . 1 . . . A 65 ALA HB1 . 18394 1 840 . 1 1 65 65 ALA HB2 H 1 0.886 0.004 . 1 . . . A 65 ALA HB2 . 18394 1 841 . 1 1 65 65 ALA HB3 H 1 0.886 0.004 . 1 . . . A 65 ALA HB3 . 18394 1 842 . 1 1 65 65 ALA C C 13 181.727 0.006 . 1 . . . A 65 ALA C . 18394 1 843 . 1 1 65 65 ALA CA C 13 56.891 0.020 . 1 . . . A 65 ALA CA . 18394 1 844 . 1 1 65 65 ALA CB C 13 16.958 0.004 . 1 . . . A 65 ALA CB . 18394 1 845 . 1 1 65 65 ALA N N 15 124.975 0.033 . 1 . . . A 65 ALA N . 18394 1 846 . 1 1 66 66 SER H H 1 8.725 0.001 . 1 . . . A 66 SER H . 18394 1 847 . 1 1 66 66 SER HA H 1 4.335 0.003 . 1 . . . A 66 SER HA . 18394 1 848 . 1 1 66 66 SER HB2 H 1 4.104 0.01 . 2 . . . A 66 SER HB2 . 18394 1 849 . 1 1 66 66 SER HB3 H 1 3.973 0.002 . 2 . . . A 66 SER HB3 . 18394 1 850 . 1 1 66 66 SER C C 13 175.637 0.05 . 1 . . . A 66 SER C . 18394 1 851 . 1 1 66 66 SER CA C 13 60.655 0.002 . 1 . . . A 66 SER CA . 18394 1 852 . 1 1 66 66 SER CB C 13 62.602 0.005 . 1 . . . A 66 SER CB . 18394 1 853 . 1 1 66 66 SER N N 15 111.436 0.038 . 1 . . . A 66 SER N . 18394 1 854 . 1 1 67 67 GLN H H 1 8.120 0.002 . 1 . . . A 67 GLN H . 18394 1 855 . 1 1 67 67 GLN HA H 1 4.538 0.003 . 1 . . . A 67 GLN HA . 18394 1 856 . 1 1 67 67 GLN HB2 H 1 2.608 0.005 . 2 . . . A 67 GLN HB2 . 18394 1 857 . 1 1 67 67 GLN HB3 H 1 2.224 0.003 . 2 . . . A 67 GLN HB3 . 18394 1 858 . 1 1 67 67 GLN HG2 H 1 2.480 0.006 . 2 . . . A 67 GLN HG2 . 18394 1 859 . 1 1 67 67 GLN HG3 H 1 2.456 0.005 . 2 . . . A 67 GLN HG3 . 18394 1 860 . 1 1 67 67 GLN HE21 H 1 7.555 0.001 . 1 . . . A 67 GLN HE21 . 18394 1 861 . 1 1 67 67 GLN HE22 H 1 6.873 0.001 . 1 . . . A 67 GLN HE22 . 18394 1 862 . 1 1 67 67 GLN C C 13 174.862 0.018 . 1 . . . A 67 GLN C . 18394 1 863 . 1 1 67 67 GLN CA C 13 56.037 0.003 . 1 . . . A 67 GLN CA . 18394 1 864 . 1 1 67 67 GLN CB C 13 30.192 0.005 . 1 . . . A 67 GLN CB . 18394 1 865 . 1 1 67 67 GLN CG C 13 34.777 0.003 . 1 . . . A 67 GLN CG . 18394 1 866 . 1 1 67 67 GLN N N 15 120.428 0.028 . 1 . . . A 67 GLN N . 18394 1 867 . 1 1 67 67 GLN NE2 N 15 111.480 0.034 . 1 . . . A 67 GLN NE2 . 18394 1 868 . 1 1 68 68 GLY H H 1 8.159 0.001 . 1 . . . A 68 GLY H . 18394 1 869 . 1 1 68 68 GLY HA2 H 1 4.506 0.002 . 2 . . . A 68 GLY HA2 . 18394 1 870 . 1 1 68 68 GLY HA3 H 1 3.876 0.003 . 2 . . . A 68 GLY HA3 . 18394 1 871 . 1 1 68 68 GLY C C 13 171.007 0.023 . 1 . . . A 68 GLY C . 18394 1 872 . 1 1 68 68 GLY CA C 13 46.559 0.003 . 1 . . . A 68 GLY CA . 18394 1 873 . 1 1 68 68 GLY N N 15 108.159 0.030 . 1 . . . A 68 GLY N . 18394 1 874 . 1 1 69 69 PHE H H 1 7.316 0.002 . 1 . . . A 69 PHE H . 18394 1 875 . 1 1 69 69 PHE HA H 1 5.886 0.005 . 1 . . . A 69 PHE HA . 18394 1 876 . 1 1 69 69 PHE HB2 H 1 2.800 0.005 . 2 . . . A 69 PHE HB2 . 18394 1 877 . 1 1 69 69 PHE HB3 H 1 2.558 0.006 . 2 . . . A 69 PHE HB3 . 18394 1 878 . 1 1 69 69 PHE HD1 H 1 6.925 0.007 . 3 . . . A 69 PHE HD1 . 18394 1 879 . 1 1 69 69 PHE HD2 H 1 6.925 0.007 . 3 . . . A 69 PHE HD2 . 18394 1 880 . 1 1 69 69 PHE HE1 H 1 7.028 0.006 . 3 . . . A 69 PHE HE1 . 18394 1 881 . 1 1 69 69 PHE HE2 H 1 7.028 0.006 . 3 . . . A 69 PHE HE2 . 18394 1 882 . 1 1 69 69 PHE HZ H 1 6.976 0.005 . 1 . . . A 69 PHE HZ . 18394 1 883 . 1 1 69 69 PHE C C 13 172.372 0.007 . 1 . . . A 69 PHE C . 18394 1 884 . 1 1 69 69 PHE CA C 13 54.827 0.004 . 1 . . . A 69 PHE CA . 18394 1 885 . 1 1 69 69 PHE CB C 13 43.758 0.007 . 1 . . . A 69 PHE CB . 18394 1 886 . 1 1 69 69 PHE CD1 C 13 132.154 0.028 . 3 . . . A 69 PHE CD1 . 18394 1 887 . 1 1 69 69 PHE CD2 C 13 132.154 0.028 . 3 . . . A 69 PHE CD2 . 18394 1 888 . 1 1 69 69 PHE CE1 C 13 130.309 0.029 . 3 . . . A 69 PHE CE1 . 18394 1 889 . 1 1 69 69 PHE CE2 C 13 130.309 0.029 . 3 . . . A 69 PHE CE2 . 18394 1 890 . 1 1 69 69 PHE CZ C 13 129.482 0.05 . 1 . . . A 69 PHE CZ . 18394 1 891 . 1 1 69 69 PHE N N 15 122.337 0.026 . 1 . . . A 69 PHE N . 18394 1 892 . 1 1 70 70 GLU H H 1 8.716 0.003 . 1 . . . A 70 GLU H . 18394 1 893 . 1 1 70 70 GLU HA H 1 5.067 0.004 . 1 . . . A 70 GLU HA . 18394 1 894 . 1 1 70 70 GLU HB2 H 1 1.890 0.003 . 2 . . . A 70 GLU HB2 . 18394 1 895 . 1 1 70 70 GLU HB3 H 1 1.658 0.002 . 2 . . . A 70 GLU HB3 . 18394 1 896 . 1 1 70 70 GLU HG2 H 1 2.418 0.005 . 2 . . . A 70 GLU HG2 . 18394 1 897 . 1 1 70 70 GLU HG3 H 1 2.340 0.004 . 2 . . . A 70 GLU HG3 . 18394 1 898 . 1 1 70 70 GLU C C 13 172.298 0.009 . 1 . . . A 70 GLU C . 18394 1 899 . 1 1 70 70 GLU CA C 13 52.594 0.002 . 1 . . . A 70 GLU CA . 18394 1 900 . 1 1 70 70 GLU CB C 13 35.622 0.007 . 1 . . . A 70 GLU CB . 18394 1 901 . 1 1 70 70 GLU CG C 13 37.206 0.003 . 1 . . . A 70 GLU CG . 18394 1 902 . 1 1 70 70 GLU N N 15 127.814 0.024 . 1 . . . A 70 GLU N . 18394 1 903 . 1 1 71 71 ILE H H 1 9.348 0.003 . 1 . . . A 71 ILE H . 18394 1 904 . 1 1 71 71 ILE HA H 1 4.656 0.006 . 1 . . . A 71 ILE HA . 18394 1 905 . 1 1 71 71 ILE HB H 1 0.938 0.005 . 1 . . . A 71 ILE HB . 18394 1 906 . 1 1 71 71 ILE HG12 H 1 1.289 0.005 . 2 . . . A 71 ILE HG12 . 18394 1 907 . 1 1 71 71 ILE HG13 H 1 0.688 0.005 . 2 . . . A 71 ILE HG13 . 18394 1 908 . 1 1 71 71 ILE HG21 H 1 -0.086 0.005 . 1 . . . A 71 ILE HG21 . 18394 1 909 . 1 1 71 71 ILE HG22 H 1 -0.086 0.005 . 1 . . . A 71 ILE HG22 . 18394 1 910 . 1 1 71 71 ILE HG23 H 1 -0.086 0.005 . 1 . . . A 71 ILE HG23 . 18394 1 911 . 1 1 71 71 ILE HD11 H 1 0.297 0.005 . 1 . . . A 71 ILE HD11 . 18394 1 912 . 1 1 71 71 ILE HD12 H 1 0.297 0.005 . 1 . . . A 71 ILE HD12 . 18394 1 913 . 1 1 71 71 ILE HD13 H 1 0.297 0.005 . 1 . . . A 71 ILE HD13 . 18394 1 914 . 1 1 71 71 ILE C C 13 172.346 0.016 . 1 . . . A 71 ILE C . 18394 1 915 . 1 1 71 71 ILE CA C 13 59.813 0.002 . 1 . . . A 71 ILE CA . 18394 1 916 . 1 1 71 71 ILE CB C 13 40.188 0.05 . 1 . . . A 71 ILE CB . 18394 1 917 . 1 1 71 71 ILE CG1 C 13 29.049 0.004 . 1 . . . A 71 ILE CG1 . 18394 1 918 . 1 1 71 71 ILE CG2 C 13 15.445 0.003 . 1 . . . A 71 ILE CG2 . 18394 1 919 . 1 1 71 71 ILE CD1 C 13 15.240 0.003 . 1 . . . A 71 ILE CD1 . 18394 1 920 . 1 1 71 71 ILE N N 15 124.970 0.038 . 1 . . . A 71 ILE N . 18394 1 921 . 1 1 72 72 TYR H H 1 8.797 0.002 . 1 . . . A 72 TYR H . 18394 1 922 . 1 1 72 72 TYR HA H 1 4.790 0.008 . 1 . . . A 72 TYR HA . 18394 1 923 . 1 1 72 72 TYR HB2 H 1 2.907 0.006 . 2 . . . A 72 TYR HB2 . 18394 1 924 . 1 1 72 72 TYR HB3 H 1 1.967 0.005 . 2 . . . A 72 TYR HB3 . 18394 1 925 . 1 1 72 72 TYR HD1 H 1 6.643 0.005 . 3 . . . A 72 TYR HD1 . 18394 1 926 . 1 1 72 72 TYR HD2 H 1 6.643 0.005 . 3 . . . A 72 TYR HD2 . 18394 1 927 . 1 1 72 72 TYR HE1 H 1 6.086 0.004 . 3 . . . A 72 TYR HE1 . 18394 1 928 . 1 1 72 72 TYR HE2 H 1 6.086 0.004 . 3 . . . A 72 TYR HE2 . 18394 1 929 . 1 1 72 72 TYR C C 13 172.804 0.002 . 1 . . . A 72 TYR C . 18394 1 930 . 1 1 72 72 TYR CA C 13 56.949 0.009 . 1 . . . A 72 TYR CA . 18394 1 931 . 1 1 72 72 TYR CB C 13 40.577 0.006 . 1 . . . A 72 TYR CB . 18394 1 932 . 1 1 72 72 TYR CD1 C 13 132.263 0.023 . 3 . . . A 72 TYR CD1 . 18394 1 933 . 1 1 72 72 TYR CD2 C 13 132.263 0.023 . 3 . . . A 72 TYR CD2 . 18394 1 934 . 1 1 72 72 TYR CE1 C 13 117.392 0.026 . 3 . . . A 72 TYR CE1 . 18394 1 935 . 1 1 72 72 TYR CE2 C 13 117.392 0.026 . 3 . . . A 72 TYR CE2 . 18394 1 936 . 1 1 72 72 TYR N N 15 131.612 0.030 . 1 . . . A 72 TYR N . 18394 1 937 . 1 1 73 73 GLN H H 1 9.369 0.003 . 1 . . . A 73 GLN H . 18394 1 938 . 1 1 73 73 GLN HA H 1 5.077 0.005 . 1 . . . A 73 GLN HA . 18394 1 939 . 1 1 73 73 GLN HB2 H 1 2.839 0.007 . 2 . . . A 73 GLN HB2 . 18394 1 940 . 1 1 73 73 GLN HB3 H 1 2.727 0.003 . 2 . . . A 73 GLN HB3 . 18394 1 941 . 1 1 73 73 GLN HG2 H 1 1.892 0.005 . 1 . . . A 73 GLN HG2 . 18394 1 942 . 1 1 73 73 GLN HG3 H 1 1.892 0.005 . 1 . . . A 73 GLN HG3 . 18394 1 943 . 1 1 73 73 GLN HE21 H 1 7.749 0.001 . 1 . . . A 73 GLN HE21 . 18394 1 944 . 1 1 73 73 GLN HE22 H 1 9.706 0.002 . 1 . . . A 73 GLN HE22 . 18394 1 945 . 1 1 73 73 GLN C C 13 172.885 0.019 . 1 . . . A 73 GLN C . 18394 1 946 . 1 1 73 73 GLN CA C 13 55.258 0.005 . 1 . . . A 73 GLN CA . 18394 1 947 . 1 1 73 73 GLN CB C 13 32.167 0.005 . 1 . . . A 73 GLN CB . 18394 1 948 . 1 1 73 73 GLN CG C 13 35.414 0.013 . 1 . . . A 73 GLN CG . 18394 1 949 . 1 1 73 73 GLN N N 15 127.516 0.026 . 1 . . . A 73 GLN N . 18394 1 950 . 1 1 73 73 GLN NE2 N 15 122.349 0.047 . 1 . . . A 73 GLN NE2 . 18394 1 951 . 1 1 74 74 ILE H H 1 9.349 0.002 . 1 . . . A 74 ILE H . 18394 1 952 . 1 1 74 74 ILE HA H 1 3.904 0.005 . 1 . . . A 74 ILE HA . 18394 1 953 . 1 1 74 74 ILE HB H 1 1.336 0.007 . 1 . . . A 74 ILE HB . 18394 1 954 . 1 1 74 74 ILE HG12 H 1 1.061 0.003 . 2 . . . A 74 ILE HG12 . 18394 1 955 . 1 1 74 74 ILE HG13 H 1 0.370 0.003 . 2 . . . A 74 ILE HG13 . 18394 1 956 . 1 1 74 74 ILE HG21 H 1 0.495 0.003 . 1 . . . A 74 ILE HG21 . 18394 1 957 . 1 1 74 74 ILE HG22 H 1 0.495 0.003 . 1 . . . A 74 ILE HG22 . 18394 1 958 . 1 1 74 74 ILE HG23 H 1 0.495 0.003 . 1 . . . A 74 ILE HG23 . 18394 1 959 . 1 1 74 74 ILE HD11 H 1 -0.139 0.003 . 1 . . . A 74 ILE HD11 . 18394 1 960 . 1 1 74 74 ILE HD12 H 1 -0.139 0.003 . 1 . . . A 74 ILE HD12 . 18394 1 961 . 1 1 74 74 ILE HD13 H 1 -0.139 0.003 . 1 . . . A 74 ILE HD13 . 18394 1 962 . 1 1 74 74 ILE C C 13 174.519 0.025 . 1 . . . A 74 ILE C . 18394 1 963 . 1 1 74 74 ILE CA C 13 60.236 0.011 . 1 . . . A 74 ILE CA . 18394 1 964 . 1 1 74 74 ILE CB C 13 39.819 0.002 . 1 . . . A 74 ILE CB . 18394 1 965 . 1 1 74 74 ILE CG1 C 13 27.497 0.007 . 1 . . . A 74 ILE CG1 . 18394 1 966 . 1 1 74 74 ILE CG2 C 13 18.600 0.006 . 1 . . . A 74 ILE CG2 . 18394 1 967 . 1 1 74 74 ILE CD1 C 13 16.212 0.005 . 1 . . . A 74 ILE CD1 . 18394 1 968 . 1 1 74 74 ILE N N 15 130.847 0.029 . 1 . . . A 74 ILE N . 18394 1 969 . 1 1 75 75 SER H H 1 8.596 0.002 . 1 . . . A 75 SER H . 18394 1 970 . 1 1 75 75 SER HA H 1 4.771 0.004 . 1 . . . A 75 SER HA . 18394 1 971 . 1 1 75 75 SER HB2 H 1 3.739 0.004 . 2 . . . A 75 SER HB2 . 18394 1 972 . 1 1 75 75 SER HB3 H 1 3.259 0.003 . 2 . . . A 75 SER HB3 . 18394 1 973 . 1 1 75 75 SER C C 13 175.690 0.010 . 1 . . . A 75 SER C . 18394 1 974 . 1 1 75 75 SER CA C 13 56.695 0.011 . 1 . . . A 75 SER CA . 18394 1 975 . 1 1 75 75 SER CB C 13 64.416 0.015 . 1 . . . A 75 SER CB . 18394 1 976 . 1 1 75 75 SER N N 15 119.783 0.028 . 1 . . . A 75 SER N . 18394 1 977 . 1 1 76 76 LEU H H 1 8.252 0.002 . 1 . . . A 76 LEU H . 18394 1 978 . 1 1 76 76 LEU HA H 1 4.812 0.003 . 1 . . . A 76 LEU HA . 18394 1 979 . 1 1 76 76 LEU HB2 H 1 1.670 0.003 . 2 . . . A 76 LEU HB2 . 18394 1 980 . 1 1 76 76 LEU HB3 H 1 1.424 0.004 . 2 . . . A 76 LEU HB3 . 18394 1 981 . 1 1 76 76 LEU HG H 1 1.862 0.005 . 1 . . . A 76 LEU HG . 18394 1 982 . 1 1 76 76 LEU HD11 H 1 1.079 0.007 . 2 . . . A 76 LEU HD11 . 18394 1 983 . 1 1 76 76 LEU HD12 H 1 1.079 0.007 . 2 . . . A 76 LEU HD12 . 18394 1 984 . 1 1 76 76 LEU HD13 H 1 1.079 0.007 . 2 . . . A 76 LEU HD13 . 18394 1 985 . 1 1 76 76 LEU HD21 H 1 1.007 0.004 . 2 . . . A 76 LEU HD21 . 18394 1 986 . 1 1 76 76 LEU HD22 H 1 1.007 0.004 . 2 . . . A 76 LEU HD22 . 18394 1 987 . 1 1 76 76 LEU HD23 H 1 1.007 0.004 . 2 . . . A 76 LEU HD23 . 18394 1 988 . 1 1 76 76 LEU C C 13 176.615 0.008 . 1 . . . A 76 LEU C . 18394 1 989 . 1 1 76 76 LEU CA C 13 52.636 0.012 . 1 . . . A 76 LEU CA . 18394 1 990 . 1 1 76 76 LEU CB C 13 40.123 0.05 . 1 . . . A 76 LEU CB . 18394 1 991 . 1 1 76 76 LEU CG C 13 27.312 0.022 . 1 . . . A 76 LEU CG . 18394 1 992 . 1 1 76 76 LEU CD1 C 13 23.449 0.05 . 2 . . . A 76 LEU CD1 . 18394 1 993 . 1 1 76 76 LEU CD2 C 13 26.178 0.05 . 2 . . . A 76 LEU CD2 . 18394 1 994 . 1 1 76 76 LEU N N 15 126.997 0.027 . 1 . . . A 76 LEU N . 18394 1 995 . 1 1 77 77 ASP H H 1 8.808 0.001 . 1 . . . A 77 ASP H . 18394 1 996 . 1 1 77 77 ASP HA H 1 4.352 0.002 . 1 . . . A 77 ASP HA . 18394 1 997 . 1 1 77 77 ASP HB2 H 1 2.794 0.002 . 2 . . . A 77 ASP HB2 . 18394 1 998 . 1 1 77 77 ASP HB3 H 1 2.521 0.003 . 2 . . . A 77 ASP HB3 . 18394 1 999 . 1 1 77 77 ASP C C 13 177.285 0.05 . 1 . . . A 77 ASP C . 18394 1 1000 . 1 1 77 77 ASP CA C 13 56.237 0.009 . 1 . . . A 77 ASP CA . 18394 1 1001 . 1 1 77 77 ASP CB C 13 41.874 0.009 . 1 . . . A 77 ASP CB . 18394 1 1002 . 1 1 77 77 ASP N N 15 121.063 0.034 . 1 . . . A 77 ASP N . 18394 1 1003 . 1 1 78 78 GLY HA2 H 1 3.965 0.01 . 2 . . . A 78 GLY HA2 . 18394 1 1004 . 1 1 78 78 GLY HA3 H 1 4.081 0.01 . 2 . . . A 78 GLY HA3 . 18394 1 1005 . 1 1 78 78 GLY C C 13 173.157 0.025 . 1 . . . A 78 GLY C . 18394 1 1006 . 1 1 78 78 GLY CA C 13 46.229 0.003 . 1 . . . A 78 GLY CA . 18394 1 1007 . 1 1 79 79 ASP H H 1 7.810 0.003 . 1 . . . A 79 ASP H . 18394 1 1008 . 1 1 79 79 ASP HA H 1 4.985 0.003 . 1 . . . A 79 ASP HA . 18394 1 1009 . 1 1 79 79 ASP HB2 H 1 3.218 0.003 . 2 . . . A 79 ASP HB2 . 18394 1 1010 . 1 1 79 79 ASP HB3 H 1 2.637 0.002 . 2 . . . A 79 ASP HB3 . 18394 1 1011 . 1 1 79 79 ASP C C 13 175.804 0.021 . 1 . . . A 79 ASP C . 18394 1 1012 . 1 1 79 79 ASP CA C 13 52.818 0.05 . 1 . . . A 79 ASP CA . 18394 1 1013 . 1 1 79 79 ASP CB C 13 42.518 0.006 . 1 . . . A 79 ASP CB . 18394 1 1014 . 1 1 79 79 ASP N N 15 119.859 0.034 . 1 . . . A 79 ASP N . 18394 1 1015 . 1 1 80 80 GLU H H 1 9.074 0.002 . 1 . . . A 80 GLU H . 18394 1 1016 . 1 1 80 80 GLU HA H 1 3.974 0.005 . 1 . . . A 80 GLU HA . 18394 1 1017 . 1 1 80 80 GLU HB2 H 1 2.229 0.005 . 2 . . . A 80 GLU HB2 . 18394 1 1018 . 1 1 80 80 GLU HB3 H 1 2.161 0.001 . 2 . . . A 80 GLU HB3 . 18394 1 1019 . 1 1 80 80 GLU HG2 H 1 2.418 0.003 . 1 . . . A 80 GLU HG2 . 18394 1 1020 . 1 1 80 80 GLU HG3 H 1 2.418 0.003 . 1 . . . A 80 GLU HG3 . 18394 1 1021 . 1 1 80 80 GLU C C 13 177.339 0.007 . 1 . . . A 80 GLU C . 18394 1 1022 . 1 1 80 80 GLU CA C 13 60.141 0.004 . 1 . . . A 80 GLU CA . 18394 1 1023 . 1 1 80 80 GLU CB C 13 30.665 0.004 . 1 . . . A 80 GLU CB . 18394 1 1024 . 1 1 80 80 GLU CG C 13 36.820 0.003 . 1 . . . A 80 GLU CG . 18394 1 1025 . 1 1 80 80 GLU N N 15 127.460 0.039 . 1 . . . A 80 GLU N . 18394 1 1026 . 1 1 81 81 HIS H H 1 8.458 0.002 . 1 . . . A 81 HIS H . 18394 1 1027 . 1 1 81 81 HIS HA H 1 4.413 0.006 . 1 . . . A 81 HIS HA . 18394 1 1028 . 1 1 81 81 HIS HB2 H 1 3.366 0.003 . 1 . . . A 81 HIS HB2 . 18394 1 1029 . 1 1 81 81 HIS HB3 H 1 3.366 0.003 . 1 . . . A 81 HIS HB3 . 18394 1 1030 . 1 1 81 81 HIS HD2 H 1 7.143 0.002 . 1 . . . A 81 HIS HD2 . 18394 1 1031 . 1 1 81 81 HIS HE1 H 1 7.903 0.001 . 1 . . . A 81 HIS HE1 . 18394 1 1032 . 1 1 81 81 HIS C C 13 178.043 0.016 . 1 . . . A 81 HIS C . 18394 1 1033 . 1 1 81 81 HIS CA C 13 59.962 0.002 . 1 . . . A 81 HIS CA . 18394 1 1034 . 1 1 81 81 HIS CB C 13 29.902 0.004 . 1 . . . A 81 HIS CB . 18394 1 1035 . 1 1 81 81 HIS CD2 C 13 119.499 0.05 . 1 . . . A 81 HIS CD2 . 18394 1 1036 . 1 1 81 81 HIS CE1 C 13 138.385 0.001 . 1 . . . A 81 HIS CE1 . 18394 1 1037 . 1 1 81 81 HIS N N 15 119.441 0.032 . 1 . . . A 81 HIS N . 18394 1 1038 . 1 1 82 82 PHE H H 1 8.349 0.002 . 1 . . . A 82 PHE H . 18394 1 1039 . 1 1 82 82 PHE HA H 1 4.070 0.005 . 1 . . . A 82 PHE HA . 18394 1 1040 . 1 1 82 82 PHE HB2 H 1 3.318 0.003 . 2 . . . A 82 PHE HB2 . 18394 1 1041 . 1 1 82 82 PHE HB3 H 1 3.243 0.005 . 2 . . . A 82 PHE HB3 . 18394 1 1042 . 1 1 82 82 PHE HD1 H 1 7.254 0.006 . 3 . . . A 82 PHE HD1 . 18394 1 1043 . 1 1 82 82 PHE HD2 H 1 7.254 0.006 . 3 . . . A 82 PHE HD2 . 18394 1 1044 . 1 1 82 82 PHE HE1 H 1 7.429 0.01 . 3 . . . A 82 PHE HE1 . 18394 1 1045 . 1 1 82 82 PHE HE2 H 1 7.429 0.01 . 3 . . . A 82 PHE HE2 . 18394 1 1046 . 1 1 82 82 PHE C C 13 178.803 0.008 . 1 . . . A 82 PHE C . 18394 1 1047 . 1 1 82 82 PHE CA C 13 61.339 0.015 . 1 . . . A 82 PHE CA . 18394 1 1048 . 1 1 82 82 PHE CB C 13 39.521 0.005 . 1 . . . A 82 PHE CB . 18394 1 1049 . 1 1 82 82 PHE CD1 C 13 131.478 0.048 . 3 . . . A 82 PHE CD1 . 18394 1 1050 . 1 1 82 82 PHE CD2 C 13 131.478 0.048 . 3 . . . A 82 PHE CD2 . 18394 1 1051 . 1 1 82 82 PHE CE1 C 13 131.715 0.002 . 3 . . . A 82 PHE CE1 . 18394 1 1052 . 1 1 82 82 PHE CE2 C 13 131.715 0.002 . 3 . . . A 82 PHE CE2 . 18394 1 1053 . 1 1 82 82 PHE N N 15 122.824 0.035 . 1 . . . A 82 PHE N . 18394 1 1054 . 1 1 83 83 TRP H H 1 8.467 0.002 . 1 . . . A 83 TRP H . 18394 1 1055 . 1 1 83 83 TRP HA H 1 4.281 0.006 . 1 . . . A 83 TRP HA . 18394 1 1056 . 1 1 83 83 TRP HB2 H 1 3.753 0.007 . 2 . . . A 83 TRP HB2 . 18394 1 1057 . 1 1 83 83 TRP HB3 H 1 3.228 0.004 . 2 . . . A 83 TRP HB3 . 18394 1 1058 . 1 1 83 83 TRP HD1 H 1 7.444 0.004 . 1 . . . A 83 TRP HD1 . 18394 1 1059 . 1 1 83 83 TRP HE1 H 1 10.920 0.001 . 1 . . . A 83 TRP HE1 . 18394 1 1060 . 1 1 83 83 TRP HE3 H 1 7.729 0.004 . 1 . . . A 83 TRP HE3 . 18394 1 1061 . 1 1 83 83 TRP HZ2 H 1 7.090 0.006 . 1 . . . A 83 TRP HZ2 . 18394 1 1062 . 1 1 83 83 TRP HZ3 H 1 7.165 0.004 . 1 . . . A 83 TRP HZ3 . 18394 1 1063 . 1 1 83 83 TRP HH2 H 1 6.868 0.003 . 1 . . . A 83 TRP HH2 . 18394 1 1064 . 1 1 83 83 TRP C C 13 175.792 0.015 . 1 . . . A 83 TRP C . 18394 1 1065 . 1 1 83 83 TRP CA C 13 62.411 0.018 . 1 . . . A 83 TRP CA . 18394 1 1066 . 1 1 83 83 TRP CB C 13 27.894 0.015 . 1 . . . A 83 TRP CB . 18394 1 1067 . 1 1 83 83 TRP CD1 C 13 128.662 0.015 . 1 . . . A 83 TRP CD1 . 18394 1 1068 . 1 1 83 83 TRP CE3 C 13 120.887 0.028 . 1 . . . A 83 TRP CE3 . 18394 1 1069 . 1 1 83 83 TRP CZ2 C 13 114.284 0.019 . 1 . . . A 83 TRP CZ2 . 18394 1 1070 . 1 1 83 83 TRP CZ3 C 13 122.179 0.009 . 1 . . . A 83 TRP CZ3 . 18394 1 1071 . 1 1 83 83 TRP CH2 C 13 124.095 0.011 . 1 . . . A 83 TRP CH2 . 18394 1 1072 . 1 1 83 83 TRP N N 15 121.190 0.028 . 1 . . . A 83 TRP N . 18394 1 1073 . 1 1 83 83 TRP NE1 N 15 132.030 0.051 . 1 . . . A 83 TRP NE1 . 18394 1 1074 . 1 1 84 84 LYS H H 1 8.270 0.002 . 1 . . . A 84 LYS H . 18394 1 1075 . 1 1 84 84 LYS HA H 1 2.998 0.005 . 1 . . . A 84 LYS HA . 18394 1 1076 . 1 1 84 84 LYS HB2 H 1 1.835 0.004 . 2 . . . A 84 LYS HB2 . 18394 1 1077 . 1 1 84 84 LYS HB3 H 1 1.684 0.004 . 2 . . . A 84 LYS HB3 . 18394 1 1078 . 1 1 84 84 LYS HG2 H 1 1.701 0.003 . 2 . . . A 84 LYS HG2 . 18394 1 1079 . 1 1 84 84 LYS HG3 H 1 1.146 0.002 . 2 . . . A 84 LYS HG3 . 18394 1 1080 . 1 1 84 84 LYS HD2 H 1 1.696 0.004 . 1 . . . A 84 LYS HD2 . 18394 1 1081 . 1 1 84 84 LYS HD3 H 1 1.696 0.004 . 1 . . . A 84 LYS HD3 . 18394 1 1082 . 1 1 84 84 LYS HE2 H 1 3.029 0.002 . 1 . . . A 84 LYS HE2 . 18394 1 1083 . 1 1 84 84 LYS HE3 H 1 3.029 0.002 . 1 . . . A 84 LYS HE3 . 18394 1 1084 . 1 1 84 84 LYS C C 13 178.634 0.019 . 1 . . . A 84 LYS C . 18394 1 1085 . 1 1 84 84 LYS CA C 13 59.892 0.006 . 1 . . . A 84 LYS CA . 18394 1 1086 . 1 1 84 84 LYS CB C 13 32.317 0.004 . 1 . . . A 84 LYS CB . 18394 1 1087 . 1 1 84 84 LYS CG C 13 26.392 0.014 . 1 . . . A 84 LYS CG . 18394 1 1088 . 1 1 84 84 LYS CD C 13 29.633 0.009 . 1 . . . A 84 LYS CD . 18394 1 1089 . 1 1 84 84 LYS CE C 13 42.244 0.05 . 1 . . . A 84 LYS CE . 18394 1 1090 . 1 1 84 84 LYS N N 15 117.547 0.028 . 1 . . . A 84 LYS N . 18394 1 1091 . 1 1 85 85 THR H H 1 7.706 0.002 . 1 . . . A 85 THR H . 18394 1 1092 . 1 1 85 85 THR HA H 1 3.807 0.003 . 1 . . . A 85 THR HA . 18394 1 1093 . 1 1 85 85 THR HB H 1 3.954 0.001 . 1 . . . A 85 THR HB . 18394 1 1094 . 1 1 85 85 THR HG21 H 1 1.025 0.003 . 1 . . . A 85 THR HG21 . 18394 1 1095 . 1 1 85 85 THR HG22 H 1 1.025 0.003 . 1 . . . A 85 THR HG22 . 18394 1 1096 . 1 1 85 85 THR HG23 H 1 1.025 0.003 . 1 . . . A 85 THR HG23 . 18394 1 1097 . 1 1 85 85 THR C C 13 176.447 0.007 . 1 . . . A 85 THR C . 18394 1 1098 . 1 1 85 85 THR CA C 13 64.975 0.006 . 1 . . . A 85 THR CA . 18394 1 1099 . 1 1 85 85 THR CB C 13 68.849 0.001 . 1 . . . A 85 THR CB . 18394 1 1100 . 1 1 85 85 THR CG2 C 13 21.373 0.016 . 1 . . . A 85 THR CG2 . 18394 1 1101 . 1 1 85 85 THR N N 15 110.576 0.040 . 1 . . . A 85 THR N . 18394 1 1102 . 1 1 86 86 SER H H 1 7.449 0.003 . 1 . . . A 86 SER H . 18394 1 1103 . 1 1 86 86 SER HA H 1 3.910 0.002 . 1 . . . A 86 SER HA . 18394 1 1104 . 1 1 86 86 SER HB2 H 1 3.531 0.004 . 2 . . . A 86 SER HB2 . 18394 1 1105 . 1 1 86 86 SER HB3 H 1 2.914 0.005 . 2 . . . A 86 SER HB3 . 18394 1 1106 . 1 1 86 86 SER C C 13 174.826 0.05 . 1 . . . A 86 SER C . 18394 1 1107 . 1 1 86 86 SER CA C 13 61.357 0.007 . 1 . . . A 86 SER CA . 18394 1 1108 . 1 1 86 86 SER CB C 13 63.782 0.007 . 1 . . . A 86 SER CB . 18394 1 1109 . 1 1 86 86 SER N N 15 117.069 0.024 . 1 . . . A 86 SER N . 18394 1 1110 . 1 1 87 87 ALA H H 1 8.008 0.002 . 1 . . . A 87 ALA H . 18394 1 1111 . 1 1 87 87 ALA HA H 1 4.011 0.004 . 1 . . . A 87 ALA HA . 18394 1 1112 . 1 1 87 87 ALA HB1 H 1 0.996 0.006 . 1 . . . A 87 ALA HB1 . 18394 1 1113 . 1 1 87 87 ALA HB2 H 1 0.996 0.006 . 1 . . . A 87 ALA HB2 . 18394 1 1114 . 1 1 87 87 ALA HB3 H 1 0.996 0.006 . 1 . . . A 87 ALA HB3 . 18394 1 1115 . 1 1 87 87 ALA C C 13 178.211 0.001 . 1 . . . A 87 ALA C . 18394 1 1116 . 1 1 87 87 ALA CA C 13 52.594 0.003 . 1 . . . A 87 ALA CA . 18394 1 1117 . 1 1 87 87 ALA CB C 13 18.966 0.003 . 1 . . . A 87 ALA CB . 18394 1 1118 . 1 1 87 87 ALA N N 15 121.990 0.023 . 1 . . . A 87 ALA N . 18394 1 1119 . 1 1 88 88 ASP H H 1 7.016 0.002 . 1 . . . A 88 ASP H . 18394 1 1120 . 1 1 88 88 ASP HA H 1 4.049 0.003 . 1 . . . A 88 ASP HA . 18394 1 1121 . 1 1 88 88 ASP HB2 H 1 2.645 0.003 . 2 . . . A 88 ASP HB2 . 18394 1 1122 . 1 1 88 88 ASP HB3 H 1 2.335 0.003 . 2 . . . A 88 ASP HB3 . 18394 1 1123 . 1 1 88 88 ASP C C 13 175.989 0.014 . 1 . . . A 88 ASP C . 18394 1 1124 . 1 1 88 88 ASP CA C 13 56.824 0.002 . 1 . . . A 88 ASP CA . 18394 1 1125 . 1 1 88 88 ASP CB C 13 41.736 0.004 . 1 . . . A 88 ASP CB . 18394 1 1126 . 1 1 88 88 ASP N N 15 117.503 0.023 . 1 . . . A 88 ASP N . 18394 1 1127 . 1 1 89 89 ASN H H 1 7.522 0.002 . 1 . . . A 89 ASN H . 18394 1 1128 . 1 1 89 89 ASN HA H 1 4.624 0.003 . 1 . . . A 89 ASN HA . 18394 1 1129 . 1 1 89 89 ASN HB2 H 1 2.711 0.002 . 2 . . . A 89 ASN HB2 . 18394 1 1130 . 1 1 89 89 ASN HB3 H 1 2.579 0.003 . 2 . . . A 89 ASN HB3 . 18394 1 1131 . 1 1 89 89 ASN HD21 H 1 7.346 0.001 . 1 . . . A 89 ASN HD21 . 18394 1 1132 . 1 1 89 89 ASN HD22 H 1 6.688 0.001 . 1 . . . A 89 ASN HD22 . 18394 1 1133 . 1 1 89 89 ASN C C 13 174.810 0.007 . 1 . . . A 89 ASN C . 18394 1 1134 . 1 1 89 89 ASN CA C 13 52.444 0.001 . 1 . . . A 89 ASN CA . 18394 1 1135 . 1 1 89 89 ASN CB C 13 39.172 0.003 . 1 . . . A 89 ASN CB . 18394 1 1136 . 1 1 89 89 ASN N N 15 112.578 0.025 . 1 . . . A 89 ASN N . 18394 1 1137 . 1 1 89 89 ASN ND2 N 15 112.399 0.030 . 1 . . . A 89 ASN ND2 . 18394 1 1138 . 1 1 90 90 LEU H H 1 7.106 0.002 . 1 . . . A 90 LEU H . 18394 1 1139 . 1 1 90 90 LEU HA H 1 4.028 0.004 . 1 . . . A 90 LEU HA . 18394 1 1140 . 1 1 90 90 LEU HB2 H 1 -0.624 0.01 . 2 . . . A 90 LEU HB2 . 18394 1 1141 . 1 1 90 90 LEU HB3 H 1 1.459 0.007 . 2 . . . A 90 LEU HB3 . 18394 1 1142 . 1 1 90 90 LEU HG H 1 1.309 0.003 . 1 . . . A 90 LEU HG . 18394 1 1143 . 1 1 90 90 LEU HD11 H 1 0.909 0.005 . 2 . . . A 90 LEU HD11 . 18394 1 1144 . 1 1 90 90 LEU HD12 H 1 0.909 0.005 . 2 . . . A 90 LEU HD12 . 18394 1 1145 . 1 1 90 90 LEU HD13 H 1 0.909 0.005 . 2 . . . A 90 LEU HD13 . 18394 1 1146 . 1 1 90 90 LEU HD21 H 1 0.418 0.005 . 2 . . . A 90 LEU HD21 . 18394 1 1147 . 1 1 90 90 LEU HD22 H 1 0.418 0.005 . 2 . . . A 90 LEU HD22 . 18394 1 1148 . 1 1 90 90 LEU HD23 H 1 0.418 0.005 . 2 . . . A 90 LEU HD23 . 18394 1 1149 . 1 1 90 90 LEU C C 13 177.009 0.05 . 1 . . . A 90 LEU C . 18394 1 1150 . 1 1 90 90 LEU CA C 13 51.562 0.004 . 1 . . . A 90 LEU CA . 18394 1 1151 . 1 1 90 90 LEU CB C 13 39.755 0.020 . 1 . . . A 90 LEU CB . 18394 1 1152 . 1 1 90 90 LEU CG C 13 25.431 0.05 . 1 . . . A 90 LEU CG . 18394 1 1153 . 1 1 90 90 LEU CD1 C 13 25.514 0.004 . 2 . . . A 90 LEU CD1 . 18394 1 1154 . 1 1 90 90 LEU CD2 C 13 21.614 0.05 . 2 . . . A 90 LEU CD2 . 18394 1 1155 . 1 1 90 90 LEU N N 15 121.102 0.028 . 1 . . . A 90 LEU N . 18394 1 1156 . 1 1 91 91 PRO HA H 1 4.390 0.002 . 1 . . . A 91 PRO HA . 18394 1 1157 . 1 1 91 91 PRO HB2 H 1 2.128 0.001 . 2 . . . A 91 PRO HB2 . 18394 1 1158 . 1 1 91 91 PRO HB3 H 1 1.718 0.002 . 2 . . . A 91 PRO HB3 . 18394 1 1159 . 1 1 91 91 PRO HG2 H 1 1.360 0.007 . 2 . . . A 91 PRO HG2 . 18394 1 1160 . 1 1 91 91 PRO HG3 H 1 1.863 0.002 . 2 . . . A 91 PRO HG3 . 18394 1 1161 . 1 1 91 91 PRO HD2 H 1 3.156 0.004 . 2 . . . A 91 PRO HD2 . 18394 1 1162 . 1 1 91 91 PRO HD3 H 1 1.947 0.004 . 2 . . . A 91 PRO HD3 . 18394 1 1163 . 1 1 91 91 PRO C C 13 175.450 0.05 . 1 . . . A 91 PRO C . 18394 1 1164 . 1 1 91 91 PRO CA C 13 64.024 0.008 . 1 . . . A 91 PRO CA . 18394 1 1165 . 1 1 91 91 PRO CB C 13 32.136 0.005 . 1 . . . A 91 PRO CB . 18394 1 1166 . 1 1 91 91 PRO CG C 13 26.982 0.008 . 1 . . . A 91 PRO CG . 18394 1 1167 . 1 1 91 91 PRO CD C 13 49.114 0.003 . 1 . . . A 91 PRO CD . 18394 1 1168 . 1 1 92 92 TRP H H 1 5.418 0.002 . 1 . . . A 92 TRP H . 18394 1 1169 . 1 1 92 92 TRP HA H 1 5.190 0.005 . 1 . . . A 92 TRP HA . 18394 1 1170 . 1 1 92 92 TRP HB2 H 1 4.152 0.006 . 2 . . . A 92 TRP HB2 . 18394 1 1171 . 1 1 92 92 TRP HB3 H 1 2.656 0.005 . 2 . . . A 92 TRP HB3 . 18394 1 1172 . 1 1 92 92 TRP HD1 H 1 7.093 0.006 . 1 . . . A 92 TRP HD1 . 18394 1 1173 . 1 1 92 92 TRP HE1 H 1 9.622 0.003 . 1 . . . A 92 TRP HE1 . 18394 1 1174 . 1 1 92 92 TRP HE3 H 1 6.509 0.005 . 1 . . . A 92 TRP HE3 . 18394 1 1175 . 1 1 92 92 TRP HZ2 H 1 7.314 0.004 . 1 . . . A 92 TRP HZ2 . 18394 1 1176 . 1 1 92 92 TRP HZ3 H 1 6.510 0.006 . 1 . . . A 92 TRP HZ3 . 18394 1 1177 . 1 1 92 92 TRP HH2 H 1 7.355 0.008 . 1 . . . A 92 TRP HH2 . 18394 1 1178 . 1 1 92 92 TRP C C 13 173.969 0.009 . 1 . . . A 92 TRP C . 18394 1 1179 . 1 1 92 92 TRP CA C 13 55.550 0.013 . 1 . . . A 92 TRP CA . 18394 1 1180 . 1 1 92 92 TRP CB C 13 28.198 0.003 . 1 . . . A 92 TRP CB . 18394 1 1181 . 1 1 92 92 TRP CD1 C 13 127.770 0.012 . 1 . . . A 92 TRP CD1 . 18394 1 1182 . 1 1 92 92 TRP CE3 C 13 119.503 0.005 . 1 . . . A 92 TRP CE3 . 18394 1 1183 . 1 1 92 92 TRP CZ2 C 13 114.949 0.012 . 1 . . . A 92 TRP CZ2 . 18394 1 1184 . 1 1 92 92 TRP CZ3 C 13 120.159 0.004 . 1 . . . A 92 TRP CZ3 . 18394 1 1185 . 1 1 92 92 TRP CH2 C 13 124.737 0.021 . 1 . . . A 92 TRP CH2 . 18394 1 1186 . 1 1 92 92 TRP N N 15 117.561 0.032 . 1 . . . A 92 TRP N . 18394 1 1187 . 1 1 92 92 TRP NE1 N 15 133.220 0.043 . 1 . . . A 92 TRP NE1 . 18394 1 1188 . 1 1 93 93 VAL H H 1 8.414 0.001 . 1 . . . A 93 VAL H . 18394 1 1189 . 1 1 93 93 VAL HA H 1 3.924 0.003 . 1 . . . A 93 VAL HA . 18394 1 1190 . 1 1 93 93 VAL HB H 1 2.577 0.003 . 1 . . . A 93 VAL HB . 18394 1 1191 . 1 1 93 93 VAL HG11 H 1 1.109 0.004 . 2 . . . A 93 VAL HG11 . 18394 1 1192 . 1 1 93 93 VAL HG12 H 1 1.109 0.004 . 2 . . . A 93 VAL HG12 . 18394 1 1193 . 1 1 93 93 VAL HG13 H 1 1.109 0.004 . 2 . . . A 93 VAL HG13 . 18394 1 1194 . 1 1 93 93 VAL HG21 H 1 0.752 0.003 . 2 . . . A 93 VAL HG21 . 18394 1 1195 . 1 1 93 93 VAL HG22 H 1 0.752 0.003 . 2 . . . A 93 VAL HG22 . 18394 1 1196 . 1 1 93 93 VAL HG23 H 1 0.752 0.003 . 2 . . . A 93 VAL HG23 . 18394 1 1197 . 1 1 93 93 VAL C C 13 174.289 0.024 . 1 . . . A 93 VAL C . 18394 1 1198 . 1 1 93 93 VAL CA C 13 64.648 0.048 . 1 . . . A 93 VAL CA . 18394 1 1199 . 1 1 93 93 VAL CB C 13 31.635 0.004 . 1 . . . A 93 VAL CB . 18394 1 1200 . 1 1 93 93 VAL CG1 C 13 21.413 0.008 . 2 . . . A 93 VAL CG1 . 18394 1 1201 . 1 1 93 93 VAL CG2 C 13 21.595 0.008 . 2 . . . A 93 VAL CG2 . 18394 1 1202 . 1 1 93 93 VAL N N 15 120.522 0.042 . 1 . . . A 93 VAL N . 18394 1 1203 . 1 1 94 94 CYS H H 1 8.108 0.002 . 1 . . . A 94 CYS H . 18394 1 1204 . 1 1 94 94 CYS HA H 1 5.438 0.004 . 1 . . . A 94 CYS HA . 18394 1 1205 . 1 1 94 94 CYS HB2 H 1 3.264 0.005 . 2 . . . A 94 CYS HB2 . 18394 1 1206 . 1 1 94 94 CYS HB3 H 1 2.910 0.004 . 2 . . . A 94 CYS HB3 . 18394 1 1207 . 1 1 94 94 CYS C C 13 174.242 0.038 . 1 . . . A 94 CYS C . 18394 1 1208 . 1 1 94 94 CYS CA C 13 59.230 0.004 . 1 . . . A 94 CYS CA . 18394 1 1209 . 1 1 94 94 CYS CB C 13 29.361 0.004 . 1 . . . A 94 CYS CB . 18394 1 1210 . 1 1 94 94 CYS N N 15 127.065 0.035 . 1 . . . A 94 CYS N . 18394 1 1211 . 1 1 95 95 VAL H H 1 8.576 0.003 . 1 . . . A 95 VAL H . 18394 1 1212 . 1 1 95 95 VAL HA H 1 5.250 0.006 . 1 . . . A 95 VAL HA . 18394 1 1213 . 1 1 95 95 VAL HB H 1 1.773 0.005 . 1 . . . A 95 VAL HB . 18394 1 1214 . 1 1 95 95 VAL HG11 H 1 0.389 0.006 . 2 . . . A 95 VAL HG11 . 18394 1 1215 . 1 1 95 95 VAL HG12 H 1 0.389 0.006 . 2 . . . A 95 VAL HG12 . 18394 1 1216 . 1 1 95 95 VAL HG13 H 1 0.389 0.006 . 2 . . . A 95 VAL HG13 . 18394 1 1217 . 1 1 95 95 VAL HG21 H 1 0.224 0.006 . 2 . . . A 95 VAL HG21 . 18394 1 1218 . 1 1 95 95 VAL HG22 H 1 0.224 0.006 . 2 . . . A 95 VAL HG22 . 18394 1 1219 . 1 1 95 95 VAL HG23 H 1 0.224 0.006 . 2 . . . A 95 VAL HG23 . 18394 1 1220 . 1 1 95 95 VAL C C 13 173.882 0.044 . 1 . . . A 95 VAL C . 18394 1 1221 . 1 1 95 95 VAL CA C 13 58.542 0.007 . 1 . . . A 95 VAL CA . 18394 1 1222 . 1 1 95 95 VAL CB C 13 35.731 0.008 . 1 . . . A 95 VAL CB . 18394 1 1223 . 1 1 95 95 VAL CG1 C 13 20.525 0.05 . 2 . . . A 95 VAL CG1 . 18394 1 1224 . 1 1 95 95 VAL CG2 C 13 19.813 0.05 . 2 . . . A 95 VAL CG2 . 18394 1 1225 . 1 1 95 95 VAL N N 15 114.717 0.033 . 1 . . . A 95 VAL N . 18394 1 1226 . 1 1 96 96 ARG H H 1 6.824 0.002 . 1 . . . A 96 ARG H . 18394 1 1227 . 1 1 96 96 ARG HA H 1 4.852 0.006 . 1 . . . A 96 ARG HA . 18394 1 1228 . 1 1 96 96 ARG HB2 H 1 0.220 0.003 . 2 . . . A 96 ARG HB2 . 18394 1 1229 . 1 1 96 96 ARG HB3 H 1 -0.723 0.003 . 2 . . . A 96 ARG HB3 . 18394 1 1230 . 1 1 96 96 ARG HG2 H 1 0.549 0.003 . 2 . . . A 96 ARG HG2 . 18394 1 1231 . 1 1 96 96 ARG HG3 H 1 1.080 0.005 . 2 . . . A 96 ARG HG3 . 18394 1 1232 . 1 1 96 96 ARG HD2 H 1 2.315 0.003 . 2 . . . A 96 ARG HD2 . 18394 1 1233 . 1 1 96 96 ARG HD3 H 1 2.501 0.002 . 2 . . . A 96 ARG HD3 . 18394 1 1234 . 1 1 96 96 ARG HE H 1 7.093 0.001 . 1 . . . A 96 ARG HE . 18394 1 1235 . 1 1 96 96 ARG C C 13 174.171 0.009 . 1 . . . A 96 ARG C . 18394 1 1236 . 1 1 96 96 ARG CA C 13 53.699 0.008 . 1 . . . A 96 ARG CA . 18394 1 1237 . 1 1 96 96 ARG CB C 13 31.267 0.006 . 1 . . . A 96 ARG CB . 18394 1 1238 . 1 1 96 96 ARG CG C 13 27.941 0.013 . 1 . . . A 96 ARG CG . 18394 1 1239 . 1 1 96 96 ARG CD C 13 42.540 0.006 . 1 . . . A 96 ARG CD . 18394 1 1240 . 1 1 96 96 ARG N N 15 118.481 0.025 . 1 . . . A 96 ARG N . 18394 1 1241 . 1 1 96 96 ARG NE N 15 83.958 0.05 . 1 . . . A 96 ARG NE . 18394 1 1242 . 1 1 97 97 ASP H H 1 7.966 0.003 . 1 . . . A 97 ASP H . 18394 1 1243 . 1 1 97 97 ASP HA H 1 4.933 0.004 . 1 . . . A 97 ASP HA . 18394 1 1244 . 1 1 97 97 ASP HB2 H 1 3.090 0.004 . 2 . . . A 97 ASP HB2 . 18394 1 1245 . 1 1 97 97 ASP HB3 H 1 2.356 0.006 . 2 . . . A 97 ASP HB3 . 18394 1 1246 . 1 1 97 97 ASP C C 13 176.675 0.002 . 1 . . . A 97 ASP C . 18394 1 1247 . 1 1 97 97 ASP CA C 13 52.471 0.031 . 1 . . . A 97 ASP CA . 18394 1 1248 . 1 1 97 97 ASP CB C 13 42.179 0.010 . 1 . . . A 97 ASP CB . 18394 1 1249 . 1 1 97 97 ASP N N 15 124.078 0.033 . 1 . . . A 97 ASP N . 18394 1 1250 . 1 1 98 98 ALA H H 1 8.820 0.004 . 1 . . . A 98 ALA H . 18394 1 1251 . 1 1 98 98 ALA HA H 1 3.919 0.004 . 1 . . . A 98 ALA HA . 18394 1 1252 . 1 1 98 98 ALA HB1 H 1 1.475 0.004 . 1 . . . A 98 ALA HB1 . 18394 1 1253 . 1 1 98 98 ALA HB2 H 1 1.475 0.004 . 1 . . . A 98 ALA HB2 . 18394 1 1254 . 1 1 98 98 ALA HB3 H 1 1.475 0.004 . 1 . . . A 98 ALA HB3 . 18394 1 1255 . 1 1 98 98 ALA C C 13 178.104 0.012 . 1 . . . A 98 ALA C . 18394 1 1256 . 1 1 98 98 ALA CA C 13 53.930 0.001 . 1 . . . A 98 ALA CA . 18394 1 1257 . 1 1 98 98 ALA CB C 13 18.684 0.001 . 1 . . . A 98 ALA CB . 18394 1 1258 . 1 1 98 98 ALA N N 15 128.940 0.029 . 1 . . . A 98 ALA N . 18394 1 1259 . 1 1 99 99 ASN H H 1 9.036 0.002 . 1 . . . A 99 ASN H . 18394 1 1260 . 1 1 99 99 ASN HA H 1 4.707 0.002 . 1 . . . A 99 ASN HA . 18394 1 1261 . 1 1 99 99 ASN HB2 H 1 2.725 0.007 . 2 . . . A 99 ASN HB2 . 18394 1 1262 . 1 1 99 99 ASN HB3 H 1 2.554 0.004 . 2 . . . A 99 ASN HB3 . 18394 1 1263 . 1 1 99 99 ASN HD21 H 1 8.257 0.001 . 1 . . . A 99 ASN HD21 . 18394 1 1264 . 1 1 99 99 ASN HD22 H 1 7.057 0.001 . 1 . . . A 99 ASN HD22 . 18394 1 1265 . 1 1 99 99 ASN C C 13 177.057 0.011 . 1 . . . A 99 ASN C . 18394 1 1266 . 1 1 99 99 ASN CA C 13 53.947 0.004 . 1 . . . A 99 ASN CA . 18394 1 1267 . 1 1 99 99 ASN CB C 13 38.434 0.007 . 1 . . . A 99 ASN CB . 18394 1 1268 . 1 1 99 99 ASN N N 15 114.892 0.020 . 1 . . . A 99 ASN N . 18394 1 1269 . 1 1 99 99 ASN ND2 N 15 115.981 0.037 . 1 . . . A 99 ASN ND2 . 18394 1 1270 . 1 1 100 100 GLY H H 1 8.108 0.002 . 1 . . . A 100 GLY H . 18394 1 1271 . 1 1 100 100 GLY HA2 H 1 3.825 0.003 . 2 . . . A 100 GLY HA2 . 18394 1 1272 . 1 1 100 100 GLY HA3 H 1 3.576 0.002 . 2 . . . A 100 GLY HA3 . 18394 1 1273 . 1 1 100 100 GLY C C 13 174.384 0.014 . 1 . . . A 100 GLY C . 18394 1 1274 . 1 1 100 100 GLY CA C 13 47.406 0.004 . 1 . . . A 100 GLY CA . 18394 1 1275 . 1 1 100 100 GLY N N 15 109.981 0.026 . 1 . . . A 100 GLY N . 18394 1 1276 . 1 1 101 101 ALA H H 1 8.885 0.003 . 1 . . . A 101 ALA H . 18394 1 1277 . 1 1 101 101 ALA HA H 1 3.943 0.005 . 1 . . . A 101 ALA HA . 18394 1 1278 . 1 1 101 101 ALA HB1 H 1 1.177 0.006 . 1 . . . A 101 ALA HB1 . 18394 1 1279 . 1 1 101 101 ALA HB2 H 1 1.177 0.006 . 1 . . . A 101 ALA HB2 . 18394 1 1280 . 1 1 101 101 ALA HB3 H 1 1.177 0.006 . 1 . . . A 101 ALA HB3 . 18394 1 1281 . 1 1 101 101 ALA C C 13 177.022 0.014 . 1 . . . A 101 ALA C . 18394 1 1282 . 1 1 101 101 ALA CA C 13 53.715 0.003 . 1 . . . A 101 ALA CA . 18394 1 1283 . 1 1 101 101 ALA CB C 13 18.043 0.001 . 1 . . . A 101 ALA CB . 18394 1 1284 . 1 1 101 101 ALA N N 15 127.546 0.020 . 1 . . . A 101 ALA N . 18394 1 1285 . 1 1 102 102 TYR H H 1 7.750 0.003 . 1 . . . A 102 TYR H . 18394 1 1286 . 1 1 102 102 TYR HA H 1 4.548 0.003 . 1 . . . A 102 TYR HA . 18394 1 1287 . 1 1 102 102 TYR HB2 H 1 3.404 0.003 . 2 . . . A 102 TYR HB2 . 18394 1 1288 . 1 1 102 102 TYR HB3 H 1 2.844 0.004 . 2 . . . A 102 TYR HB3 . 18394 1 1289 . 1 1 102 102 TYR HD1 H 1 7.224 0.004 . 3 . . . A 102 TYR HD1 . 18394 1 1290 . 1 1 102 102 TYR HD2 H 1 7.224 0.004 . 3 . . . A 102 TYR HD2 . 18394 1 1291 . 1 1 102 102 TYR HE1 H 1 6.867 0.002 . 3 . . . A 102 TYR HE1 . 18394 1 1292 . 1 1 102 102 TYR HE2 H 1 6.867 0.002 . 3 . . . A 102 TYR HE2 . 18394 1 1293 . 1 1 102 102 TYR C C 13 175.285 0.008 . 1 . . . A 102 TYR C . 18394 1 1294 . 1 1 102 102 TYR CA C 13 56.891 0.014 . 1 . . . A 102 TYR CA . 18394 1 1295 . 1 1 102 102 TYR CB C 13 37.289 0.027 . 1 . . . A 102 TYR CB . 18394 1 1296 . 1 1 102 102 TYR CD1 C 13 133.150 0.015 . 3 . . . A 102 TYR CD1 . 18394 1 1297 . 1 1 102 102 TYR CD2 C 13 133.150 0.015 . 3 . . . A 102 TYR CD2 . 18394 1 1298 . 1 1 102 102 TYR CE1 C 13 118.126 0.010 . 3 . . . A 102 TYR CE1 . 18394 1 1299 . 1 1 102 102 TYR CE2 C 13 118.126 0.010 . 3 . . . A 102 TYR CE2 . 18394 1 1300 . 1 1 102 102 TYR N N 15 114.478 0.029 . 1 . . . A 102 TYR N . 18394 1 1301 . 1 1 103 103 SER H H 1 7.506 0.002 . 1 . . . A 103 SER H . 18394 1 1302 . 1 1 103 103 SER HA H 1 4.106 0.01 . 1 . . . A 103 SER HA . 18394 1 1303 . 1 1 103 103 SER HB2 H 1 4.215 0.005 . 2 . . . A 103 SER HB2 . 18394 1 1304 . 1 1 103 103 SER HB3 H 1 3.716 0.002 . 2 . . . A 103 SER HB3 . 18394 1 1305 . 1 1 103 103 SER C C 13 177.930 0.05 . 1 . . . A 103 SER C . 18394 1 1306 . 1 1 103 103 SER CA C 13 58.517 0.005 . 1 . . . A 103 SER CA . 18394 1 1307 . 1 1 103 103 SER CB C 13 64.394 0.022 . 1 . . . A 103 SER CB . 18394 1 1308 . 1 1 103 103 SER N N 15 114.164 0.027 . 1 . . . A 103 SER N . 18394 1 1309 . 1 1 104 104 SER HA H 1 4.274 0.003 . 1 . . . A 104 SER HA . 18394 1 1310 . 1 1 104 104 SER HB2 H 1 3.795 0.005 . 2 . . . A 104 SER HB2 . 18394 1 1311 . 1 1 104 104 SER HB3 H 1 3.642 0.002 . 2 . . . A 104 SER HB3 . 18394 1 1312 . 1 1 104 104 SER C C 13 176.051 0.05 . 1 . . . A 104 SER C . 18394 1 1313 . 1 1 104 104 SER CA C 13 61.096 0.011 . 1 . . . A 104 SER CA . 18394 1 1314 . 1 1 104 104 SER CB C 13 62.511 0.003 . 1 . . . A 104 SER CB . 18394 1 1315 . 1 1 105 105 TYR H H 1 8.058 0.002 . 1 . . . A 105 TYR H . 18394 1 1316 . 1 1 105 105 TYR HA H 1 4.409 0.003 . 1 . . . A 105 TYR HA . 18394 1 1317 . 1 1 105 105 TYR HB2 H 1 3.299 0.004 . 2 . . . A 105 TYR HB2 . 18394 1 1318 . 1 1 105 105 TYR HB3 H 1 2.935 0.005 . 2 . . . A 105 TYR HB3 . 18394 1 1319 . 1 1 105 105 TYR HD1 H 1 7.267 0.004 . 3 . . . A 105 TYR HD1 . 18394 1 1320 . 1 1 105 105 TYR HD2 H 1 7.267 0.004 . 3 . . . A 105 TYR HD2 . 18394 1 1321 . 1 1 105 105 TYR HE1 H 1 7.090 0.001 . 3 . . . A 105 TYR HE1 . 18394 1 1322 . 1 1 105 105 TYR HE2 H 1 7.090 0.001 . 3 . . . A 105 TYR HE2 . 18394 1 1323 . 1 1 105 105 TYR C C 13 177.088 0.010 . 1 . . . A 105 TYR C . 18394 1 1324 . 1 1 105 105 TYR CA C 13 61.807 0.007 . 1 . . . A 105 TYR CA . 18394 1 1325 . 1 1 105 105 TYR CB C 13 37.803 0.011 . 1 . . . A 105 TYR CB . 18394 1 1326 . 1 1 105 105 TYR CD1 C 13 132.555 0.024 . 3 . . . A 105 TYR CD1 . 18394 1 1327 . 1 1 105 105 TYR CD2 C 13 132.555 0.024 . 3 . . . A 105 TYR CD2 . 18394 1 1328 . 1 1 105 105 TYR CE1 C 13 120.038 0.007 . 3 . . . A 105 TYR CE1 . 18394 1 1329 . 1 1 105 105 TYR CE2 C 13 120.038 0.007 . 3 . . . A 105 TYR CE2 . 18394 1 1330 . 1 1 105 105 TYR N N 15 119.044 0.051 . 1 . . . A 105 TYR N . 18394 1 1331 . 1 1 106 106 ILE H H 1 7.143 0.002 . 1 . . . A 106 ILE H . 18394 1 1332 . 1 1 106 106 ILE HA H 1 3.494 0.006 . 1 . . . A 106 ILE HA . 18394 1 1333 . 1 1 106 106 ILE HB H 1 2.124 0.003 . 1 . . . A 106 ILE HB . 18394 1 1334 . 1 1 106 106 ILE HG12 H 1 1.168 0.004 . 2 . . . A 106 ILE HG12 . 18394 1 1335 . 1 1 106 106 ILE HG13 H 1 1.569 0.004 . 2 . . . A 106 ILE HG13 . 18394 1 1336 . 1 1 106 106 ILE HG21 H 1 0.945 0.005 . 1 . . . A 106 ILE HG21 . 18394 1 1337 . 1 1 106 106 ILE HG22 H 1 0.945 0.005 . 1 . . . A 106 ILE HG22 . 18394 1 1338 . 1 1 106 106 ILE HG23 H 1 0.945 0.005 . 1 . . . A 106 ILE HG23 . 18394 1 1339 . 1 1 106 106 ILE HD11 H 1 0.820 0.006 . 1 . . . A 106 ILE HD11 . 18394 1 1340 . 1 1 106 106 ILE HD12 H 1 0.820 0.006 . 1 . . . A 106 ILE HD12 . 18394 1 1341 . 1 1 106 106 ILE HD13 H 1 0.820 0.006 . 1 . . . A 106 ILE HD13 . 18394 1 1342 . 1 1 106 106 ILE C C 13 177.604 0.009 . 1 . . . A 106 ILE C . 18394 1 1343 . 1 1 106 106 ILE CA C 13 63.719 0.009 . 1 . . . A 106 ILE CA . 18394 1 1344 . 1 1 106 106 ILE CB C 13 36.955 0.003 . 1 . . . A 106 ILE CB . 18394 1 1345 . 1 1 106 106 ILE CG1 C 13 28.606 0.009 . 1 . . . A 106 ILE CG1 . 18394 1 1346 . 1 1 106 106 ILE CG2 C 13 16.964 0.007 . 1 . . . A 106 ILE CG2 . 18394 1 1347 . 1 1 106 106 ILE CD1 C 13 12.408 0.006 . 1 . . . A 106 ILE CD1 . 18394 1 1348 . 1 1 106 106 ILE N N 15 118.274 0.028 . 1 . . . A 106 ILE N . 18394 1 1349 . 1 1 107 107 SER H H 1 7.121 0.003 . 1 . . . A 107 SER H . 18394 1 1350 . 1 1 107 107 SER HA H 1 4.454 0.003 . 1 . . . A 107 SER HA . 18394 1 1351 . 1 1 107 107 SER HB2 H 1 3.967 0.002 . 1 . . . A 107 SER HB2 . 18394 1 1352 . 1 1 107 107 SER HB3 H 1 3.967 0.002 . 1 . . . A 107 SER HB3 . 18394 1 1353 . 1 1 107 107 SER C C 13 178.159 0.05 . 1 . . . A 107 SER C . 18394 1 1354 . 1 1 107 107 SER CA C 13 60.636 0.005 . 1 . . . A 107 SER CA . 18394 1 1355 . 1 1 107 107 SER CB C 13 62.609 0.004 . 1 . . . A 107 SER CB . 18394 1 1356 . 1 1 107 107 SER N N 15 112.781 0.028 . 1 . . . A 107 SER N . 18394 1 1357 . 1 1 108 108 LEU H H 1 8.053 0.003 . 1 . . . A 108 LEU H . 18394 1 1358 . 1 1 108 108 LEU HA H 1 4.082 0.002 . 1 . . . A 108 LEU HA . 18394 1 1359 . 1 1 108 108 LEU HB2 H 1 1.873 0.006 . 2 . . . A 108 LEU HB2 . 18394 1 1360 . 1 1 108 108 LEU HB3 H 1 1.521 0.005 . 2 . . . A 108 LEU HB3 . 18394 1 1361 . 1 1 108 108 LEU HG H 1 1.715 0.002 . 1 . . . A 108 LEU HG . 18394 1 1362 . 1 1 108 108 LEU HD11 H 1 0.831 0.005 . 2 . . . A 108 LEU HD11 . 18394 1 1363 . 1 1 108 108 LEU HD12 H 1 0.831 0.005 . 2 . . . A 108 LEU HD12 . 18394 1 1364 . 1 1 108 108 LEU HD13 H 1 0.831 0.005 . 2 . . . A 108 LEU HD13 . 18394 1 1365 . 1 1 108 108 LEU HD21 H 1 0.917 0.003 . 2 . . . A 108 LEU HD21 . 18394 1 1366 . 1 1 108 108 LEU HD22 H 1 0.917 0.003 . 2 . . . A 108 LEU HD22 . 18394 1 1367 . 1 1 108 108 LEU HD23 H 1 0.917 0.003 . 2 . . . A 108 LEU HD23 . 18394 1 1368 . 1 1 108 108 LEU C C 13 178.144 0.05 . 1 . . . A 108 LEU C . 18394 1 1369 . 1 1 108 108 LEU CA C 13 57.864 0.016 . 1 . . . A 108 LEU CA . 18394 1 1370 . 1 1 108 108 LEU CB C 13 42.801 0.007 . 1 . . . A 108 LEU CB . 18394 1 1371 . 1 1 108 108 LEU CG C 13 27.101 0.001 . 1 . . . A 108 LEU CG . 18394 1 1372 . 1 1 108 108 LEU CD1 C 13 25.172 0.005 . 2 . . . A 108 LEU CD1 . 18394 1 1373 . 1 1 108 108 LEU CD2 C 13 23.062 0.05 . 2 . . . A 108 LEU CD2 . 18394 1 1374 . 1 1 108 108 LEU N N 15 121.868 0.039 . 1 . . . A 108 LEU N . 18394 1 1375 . 1 1 109 109 TYR H H 1 7.845 0.002 . 1 . . . A 109 TYR H . 18394 1 1376 . 1 1 109 109 TYR HA H 1 4.071 0.004 . 1 . . . A 109 TYR HA . 18394 1 1377 . 1 1 109 109 TYR HB2 H 1 2.744 0.006 . 2 . . . A 109 TYR HB2 . 18394 1 1378 . 1 1 109 109 TYR HB3 H 1 2.629 0.006 . 2 . . . A 109 TYR HB3 . 18394 1 1379 . 1 1 109 109 TYR HD1 H 1 6.490 0.005 . 3 . . . A 109 TYR HD1 . 18394 1 1380 . 1 1 109 109 TYR HD2 H 1 6.490 0.005 . 3 . . . A 109 TYR HD2 . 18394 1 1381 . 1 1 109 109 TYR HE1 H 1 6.409 0.006 . 3 . . . A 109 TYR HE1 . 18394 1 1382 . 1 1 109 109 TYR HE2 H 1 6.409 0.006 . 3 . . . A 109 TYR HE2 . 18394 1 1383 . 1 1 109 109 TYR C C 13 174.483 0.017 . 1 . . . A 109 TYR C . 18394 1 1384 . 1 1 109 109 TYR CA C 13 59.261 0.012 . 1 . . . A 109 TYR CA . 18394 1 1385 . 1 1 109 109 TYR CB C 13 37.719 0.006 . 1 . . . A 109 TYR CB . 18394 1 1386 . 1 1 109 109 TYR CD1 C 13 131.459 0.027 . 3 . . . A 109 TYR CD1 . 18394 1 1387 . 1 1 109 109 TYR CD2 C 13 131.459 0.027 . 3 . . . A 109 TYR CD2 . 18394 1 1388 . 1 1 109 109 TYR CE1 C 13 117.644 0.014 . 3 . . . A 109 TYR CE1 . 18394 1 1389 . 1 1 109 109 TYR CE2 C 13 117.644 0.014 . 3 . . . A 109 TYR CE2 . 18394 1 1390 . 1 1 109 109 TYR N N 15 114.726 0.023 . 1 . . . A 109 TYR N . 18394 1 1391 . 1 1 110 110 ASN H H 1 7.670 0.002 . 1 . . . A 110 ASN H . 18394 1 1392 . 1 1 110 110 ASN HA H 1 4.376 0.006 . 1 . . . A 110 ASN HA . 18394 1 1393 . 1 1 110 110 ASN HB2 H 1 3.139 0.003 . 2 . . . A 110 ASN HB2 . 18394 1 1394 . 1 1 110 110 ASN HB3 H 1 2.623 0.003 . 2 . . . A 110 ASN HB3 . 18394 1 1395 . 1 1 110 110 ASN HD21 H 1 6.723 0.01 . 1 . . . A 110 ASN HD21 . 18394 1 1396 . 1 1 110 110 ASN HD22 H 1 7.431 0.001 . 1 . . . A 110 ASN HD22 . 18394 1 1397 . 1 1 110 110 ASN C C 13 173.956 0.002 . 1 . . . A 110 ASN C . 18394 1 1398 . 1 1 110 110 ASN CA C 13 54.072 0.001 . 1 . . . A 110 ASN CA . 18394 1 1399 . 1 1 110 110 ASN CB C 13 37.270 0.001 . 1 . . . A 110 ASN CB . 18394 1 1400 . 1 1 110 110 ASN N N 15 119.036 0.026 . 1 . . . A 110 ASN N . 18394 1 1401 . 1 1 110 110 ASN ND2 N 15 111.206 0.030 . 1 . . . A 110 ASN ND2 . 18394 1 1402 . 1 1 111 111 VAL H H 1 8.404 0.002 . 1 . . . A 111 VAL H . 18394 1 1403 . 1 1 111 111 VAL HA H 1 3.958 0.004 . 1 . . . A 111 VAL HA . 18394 1 1404 . 1 1 111 111 VAL HB H 1 1.814 0.004 . 1 . . . A 111 VAL HB . 18394 1 1405 . 1 1 111 111 VAL HG11 H 1 0.687 0.004 . 2 . . . A 111 VAL HG11 . 18394 1 1406 . 1 1 111 111 VAL HG12 H 1 0.687 0.004 . 2 . . . A 111 VAL HG12 . 18394 1 1407 . 1 1 111 111 VAL HG13 H 1 0.687 0.004 . 2 . . . A 111 VAL HG13 . 18394 1 1408 . 1 1 111 111 VAL HG21 H 1 0.286 0.002 . 2 . . . A 111 VAL HG21 . 18394 1 1409 . 1 1 111 111 VAL HG22 H 1 0.286 0.002 . 2 . . . A 111 VAL HG22 . 18394 1 1410 . 1 1 111 111 VAL HG23 H 1 0.286 0.002 . 2 . . . A 111 VAL HG23 . 18394 1 1411 . 1 1 111 111 VAL C C 13 176.526 0.028 . 1 . . . A 111 VAL C . 18394 1 1412 . 1 1 111 111 VAL CA C 13 63.273 0.006 . 1 . . . A 111 VAL CA . 18394 1 1413 . 1 1 111 111 VAL CB C 13 32.141 0.005 . 1 . . . A 111 VAL CB . 18394 1 1414 . 1 1 111 111 VAL CG1 C 13 21.177 0.006 . 2 . . . A 111 VAL CG1 . 18394 1 1415 . 1 1 111 111 VAL CG2 C 13 21.329 0.006 . 2 . . . A 111 VAL CG2 . 18394 1 1416 . 1 1 111 111 VAL N N 15 121.300 0.038 . 1 . . . A 111 VAL N . 18394 1 1417 . 1 1 112 112 THR H H 1 8.937 0.004 . 1 . . . A 112 THR H . 18394 1 1418 . 1 1 112 112 THR HA H 1 4.351 0.003 . 1 . . . A 112 THR HA . 18394 1 1419 . 1 1 112 112 THR HB H 1 4.283 0.003 . 1 . . . A 112 THR HB . 18394 1 1420 . 1 1 112 112 THR HG21 H 1 1.087 0.002 . 1 . . . A 112 THR HG21 . 18394 1 1421 . 1 1 112 112 THR HG22 H 1 1.087 0.002 . 1 . . . A 112 THR HG22 . 18394 1 1422 . 1 1 112 112 THR HG23 H 1 1.087 0.002 . 1 . . . A 112 THR HG23 . 18394 1 1423 . 1 1 112 112 THR C C 13 173.801 0.026 . 1 . . . A 112 THR C . 18394 1 1424 . 1 1 112 112 THR CA C 13 61.489 0.002 . 1 . . . A 112 THR CA . 18394 1 1425 . 1 1 112 112 THR CB C 13 69.880 0.002 . 1 . . . A 112 THR CB . 18394 1 1426 . 1 1 112 112 THR CG2 C 13 21.484 0.003 . 1 . . . A 112 THR CG2 . 18394 1 1427 . 1 1 112 112 THR N N 15 119.234 0.033 . 1 . . . A 112 THR N . 18394 1 1428 . 1 1 113 113 ASN H H 1 7.879 0.002 . 1 . . . A 113 ASN H . 18394 1 1429 . 1 1 113 113 ASN HA H 1 4.795 0.005 . 1 . . . A 113 ASN HA . 18394 1 1430 . 1 1 113 113 ASN HB2 H 1 2.671 0.005 . 2 . . . A 113 ASN HB2 . 18394 1 1431 . 1 1 113 113 ASN HB3 H 1 2.591 0.001 . 2 . . . A 113 ASN HB3 . 18394 1 1432 . 1 1 113 113 ASN HD21 H 1 7.552 0.01 . 1 . . . A 113 ASN HD21 . 18394 1 1433 . 1 1 113 113 ASN HD22 H 1 6.848 0.01 . 1 . . . A 113 ASN HD22 . 18394 1 1434 . 1 1 113 113 ASN C C 13 172.574 0.001 . 1 . . . A 113 ASN C . 18394 1 1435 . 1 1 113 113 ASN CA C 13 52.647 0.009 . 1 . . . A 113 ASN CA . 18394 1 1436 . 1 1 113 113 ASN CB C 13 41.438 0.004 . 1 . . . A 113 ASN CB . 18394 1 1437 . 1 1 113 113 ASN N N 15 119.815 0.023 . 1 . . . A 113 ASN N . 18394 1 1438 . 1 1 113 113 ASN ND2 N 15 114.328 0.024 . 1 . . . A 113 ASN ND2 . 18394 1 1439 . 1 1 114 114 LEU H H 1 8.338 0.002 . 1 . . . A 114 LEU H . 18394 1 1440 . 1 1 114 114 LEU HA H 1 4.611 0.004 . 1 . . . A 114 LEU HA . 18394 1 1441 . 1 1 114 114 LEU HB2 H 1 1.680 0.004 . 2 . . . A 114 LEU HB2 . 18394 1 1442 . 1 1 114 114 LEU HB3 H 1 1.089 0.003 . 2 . . . A 114 LEU HB3 . 18394 1 1443 . 1 1 114 114 LEU HG H 1 1.500 0.003 . 1 . . . A 114 LEU HG . 18394 1 1444 . 1 1 114 114 LEU HD11 H 1 0.801 0.002 . 2 . . . A 114 LEU HD11 . 18394 1 1445 . 1 1 114 114 LEU HD12 H 1 0.801 0.002 . 2 . . . A 114 LEU HD12 . 18394 1 1446 . 1 1 114 114 LEU HD13 H 1 0.801 0.002 . 2 . . . A 114 LEU HD13 . 18394 1 1447 . 1 1 114 114 LEU HD21 H 1 0.700 0.006 . 2 . . . A 114 LEU HD21 . 18394 1 1448 . 1 1 114 114 LEU HD22 H 1 0.700 0.006 . 2 . . . A 114 LEU HD22 . 18394 1 1449 . 1 1 114 114 LEU HD23 H 1 0.700 0.006 . 2 . . . A 114 LEU HD23 . 18394 1 1450 . 1 1 114 114 LEU C C 13 174.946 0.05 . 1 . . . A 114 LEU C . 18394 1 1451 . 1 1 114 114 LEU CA C 13 51.593 0.003 . 1 . . . A 114 LEU CA . 18394 1 1452 . 1 1 114 114 LEU CB C 13 44.194 0.004 . 1 . . . A 114 LEU CB . 18394 1 1453 . 1 1 114 114 LEU CG C 13 26.694 0.05 . 1 . . . A 114 LEU CG . 18394 1 1454 . 1 1 114 114 LEU CD1 C 13 26.277 0.05 . 2 . . . A 114 LEU CD1 . 18394 1 1455 . 1 1 114 114 LEU CD2 C 13 24.212 0.05 . 2 . . . A 114 LEU CD2 . 18394 1 1456 . 1 1 114 114 LEU N N 15 120.180 0.035 . 1 . . . A 114 LEU N . 18394 1 1457 . 1 1 115 115 PRO HA H 1 5.171 0.005 . 1 . . . A 115 PRO HA . 18394 1 1458 . 1 1 115 115 PRO HB2 H 1 2.262 0.005 . 2 . . . A 115 PRO HB2 . 18394 1 1459 . 1 1 115 115 PRO HB3 H 1 1.681 0.004 . 2 . . . A 115 PRO HB3 . 18394 1 1460 . 1 1 115 115 PRO HG2 H 1 1.248 0.004 . 2 . . . A 115 PRO HG2 . 18394 1 1461 . 1 1 115 115 PRO HG3 H 1 1.009 0.005 . 2 . . . A 115 PRO HG3 . 18394 1 1462 . 1 1 115 115 PRO HD2 H 1 3.501 0.004 . 2 . . . A 115 PRO HD2 . 18394 1 1463 . 1 1 115 115 PRO HD3 H 1 3.399 0.002 . 2 . . . A 115 PRO HD3 . 18394 1 1464 . 1 1 115 115 PRO C C 13 176.687 0.05 . 1 . . . A 115 PRO C . 18394 1 1465 . 1 1 115 115 PRO CA C 13 63.044 0.002 . 1 . . . A 115 PRO CA . 18394 1 1466 . 1 1 115 115 PRO CB C 13 34.919 0.008 . 1 . . . A 115 PRO CB . 18394 1 1467 . 1 1 115 115 PRO CG C 13 23.862 0.005 . 1 . . . A 115 PRO CG . 18394 1 1468 . 1 1 115 115 PRO CD C 13 50.030 0.006 . 1 . . . A 115 PRO CD . 18394 1 1469 . 1 1 116 116 SER H H 1 8.746 0.002 . 1 . . . A 116 SER H . 18394 1 1470 . 1 1 116 116 SER HA H 1 4.995 0.002 . 1 . . . A 116 SER HA . 18394 1 1471 . 1 1 116 116 SER HB2 H 1 3.956 0.004 . 1 . . . A 116 SER HB2 . 18394 1 1472 . 1 1 116 116 SER HB3 H 1 3.956 0.004 . 1 . . . A 116 SER HB3 . 18394 1 1473 . 1 1 116 116 SER C C 13 172.468 0.018 . 1 . . . A 116 SER C . 18394 1 1474 . 1 1 116 116 SER CA C 13 58.800 0.002 . 1 . . . A 116 SER CA . 18394 1 1475 . 1 1 116 116 SER CB C 13 67.819 0.007 . 1 . . . A 116 SER CB . 18394 1 1476 . 1 1 116 116 SER N N 15 115.986 0.038 . 1 . . . A 116 SER N . 18394 1 1477 . 1 1 117 117 VAL H H 1 8.438 0.002 . 1 . . . A 117 VAL H . 18394 1 1478 . 1 1 117 117 VAL HA H 1 5.902 0.005 . 1 . . . A 117 VAL HA . 18394 1 1479 . 1 1 117 117 VAL HB H 1 2.047 0.004 . 1 . . . A 117 VAL HB . 18394 1 1480 . 1 1 117 117 VAL HG11 H 1 1.080 0.004 . 2 . . . A 117 VAL HG11 . 18394 1 1481 . 1 1 117 117 VAL HG12 H 1 1.080 0.004 . 2 . . . A 117 VAL HG12 . 18394 1 1482 . 1 1 117 117 VAL HG13 H 1 1.080 0.004 . 2 . . . A 117 VAL HG13 . 18394 1 1483 . 1 1 117 117 VAL HG21 H 1 1.016 0.003 . 2 . . . A 117 VAL HG21 . 18394 1 1484 . 1 1 117 117 VAL HG22 H 1 1.016 0.003 . 2 . . . A 117 VAL HG22 . 18394 1 1485 . 1 1 117 117 VAL HG23 H 1 1.016 0.003 . 2 . . . A 117 VAL HG23 . 18394 1 1486 . 1 1 117 117 VAL C C 13 175.544 0.004 . 1 . . . A 117 VAL C . 18394 1 1487 . 1 1 117 117 VAL CA C 13 59.707 0.009 . 1 . . . A 117 VAL CA . 18394 1 1488 . 1 1 117 117 VAL CB C 13 35.166 0.015 . 1 . . . A 117 VAL CB . 18394 1 1489 . 1 1 117 117 VAL CG1 C 13 21.485 0.005 . 2 . . . A 117 VAL CG1 . 18394 1 1490 . 1 1 117 117 VAL CG2 C 13 20.355 0.003 . 2 . . . A 117 VAL CG2 . 18394 1 1491 . 1 1 117 117 VAL N N 15 119.802 0.041 . 1 . . . A 117 VAL N . 18394 1 1492 . 1 1 118 118 PHE H H 1 9.310 0.002 . 1 . . . A 118 PHE H . 18394 1 1493 . 1 1 118 118 PHE HA H 1 4.998 0.005 . 1 . . . A 118 PHE HA . 18394 1 1494 . 1 1 118 118 PHE HB2 H 1 3.179 0.005 . 2 . . . A 118 PHE HB2 . 18394 1 1495 . 1 1 118 118 PHE HB3 H 1 2.999 0.004 . 2 . . . A 118 PHE HB3 . 18394 1 1496 . 1 1 118 118 PHE HD1 H 1 7.379 0.009 . 3 . . . A 118 PHE HD1 . 18394 1 1497 . 1 1 118 118 PHE HD2 H 1 7.379 0.009 . 3 . . . A 118 PHE HD2 . 18394 1 1498 . 1 1 118 118 PHE HE1 H 1 7.305 0.005 . 3 . . . A 118 PHE HE1 . 18394 1 1499 . 1 1 118 118 PHE HE2 H 1 7.305 0.005 . 3 . . . A 118 PHE HE2 . 18394 1 1500 . 1 1 118 118 PHE HZ H 1 7.284 0.01 . 1 . . . A 118 PHE HZ . 18394 1 1501 . 1 1 118 118 PHE C C 13 174.126 0.009 . 1 . . . A 118 PHE C . 18394 1 1502 . 1 1 118 118 PHE CA C 13 56.938 0.011 . 1 . . . A 118 PHE CA . 18394 1 1503 . 1 1 118 118 PHE CB C 13 43.368 0.002 . 1 . . . A 118 PHE CB . 18394 1 1504 . 1 1 118 118 PHE CD1 C 13 131.666 0.017 . 3 . . . A 118 PHE CD1 . 18394 1 1505 . 1 1 118 118 PHE CD2 C 13 131.666 0.017 . 3 . . . A 118 PHE CD2 . 18394 1 1506 . 1 1 118 118 PHE CE1 C 13 131.774 0.008 . 3 . . . A 118 PHE CE1 . 18394 1 1507 . 1 1 118 118 PHE CE2 C 13 131.774 0.008 . 3 . . . A 118 PHE CE2 . 18394 1 1508 . 1 1 118 118 PHE CZ C 13 129.998 0.021 . 1 . . . A 118 PHE CZ . 18394 1 1509 . 1 1 118 118 PHE N N 15 121.358 0.038 . 1 . . . A 118 PHE N . 18394 1 1510 . 1 1 119 119 LEU H H 1 9.035 0.002 . 1 . . . A 119 LEU H . 18394 1 1511 . 1 1 119 119 LEU HA H 1 5.505 0.004 . 1 . . . A 119 LEU HA . 18394 1 1512 . 1 1 119 119 LEU HB2 H 1 1.524 0.004 . 2 . . . A 119 LEU HB2 . 18394 1 1513 . 1 1 119 119 LEU HB3 H 1 1.467 0.004 . 2 . . . A 119 LEU HB3 . 18394 1 1514 . 1 1 119 119 LEU HG H 1 1.467 0.003 . 1 . . . A 119 LEU HG . 18394 1 1515 . 1 1 119 119 LEU HD11 H 1 0.872 0.003 . 2 . . . A 119 LEU HD11 . 18394 1 1516 . 1 1 119 119 LEU HD12 H 1 0.872 0.003 . 2 . . . A 119 LEU HD12 . 18394 1 1517 . 1 1 119 119 LEU HD13 H 1 0.872 0.003 . 2 . . . A 119 LEU HD13 . 18394 1 1518 . 1 1 119 119 LEU HD21 H 1 0.823 0.003 . 2 . . . A 119 LEU HD21 . 18394 1 1519 . 1 1 119 119 LEU HD22 H 1 0.823 0.003 . 2 . . . A 119 LEU HD22 . 18394 1 1520 . 1 1 119 119 LEU HD23 H 1 0.823 0.003 . 2 . . . A 119 LEU HD23 . 18394 1 1521 . 1 1 119 119 LEU C C 13 174.940 0.037 . 1 . . . A 119 LEU C . 18394 1 1522 . 1 1 119 119 LEU CA C 13 53.728 0.003 . 1 . . . A 119 LEU CA . 18394 1 1523 . 1 1 119 119 LEU CB C 13 45.313 0.004 . 1 . . . A 119 LEU CB . 18394 1 1524 . 1 1 119 119 LEU CG C 13 27.314 0.007 . 1 . . . A 119 LEU CG . 18394 1 1525 . 1 1 119 119 LEU CD1 C 13 24.789 0.001 . 2 . . . A 119 LEU CD1 . 18394 1 1526 . 1 1 119 119 LEU CD2 C 13 25.788 0.003 . 2 . . . A 119 LEU CD2 . 18394 1 1527 . 1 1 119 119 LEU N N 15 121.021 0.032 . 1 . . . A 119 LEU N . 18394 1 1528 . 1 1 120 120 VAL H H 1 9.637 0.002 . 1 . . . A 120 VAL H . 18394 1 1529 . 1 1 120 120 VAL HA H 1 4.760 0.004 . 1 . . . A 120 VAL HA . 18394 1 1530 . 1 1 120 120 VAL HB H 1 2.169 0.005 . 1 . . . A 120 VAL HB . 18394 1 1531 . 1 1 120 120 VAL HG11 H 1 1.044 0.006 . 2 . . . A 120 VAL HG11 . 18394 1 1532 . 1 1 120 120 VAL HG12 H 1 1.044 0.006 . 2 . . . A 120 VAL HG12 . 18394 1 1533 . 1 1 120 120 VAL HG13 H 1 1.044 0.006 . 2 . . . A 120 VAL HG13 . 18394 1 1534 . 1 1 120 120 VAL HG21 H 1 0.907 0.003 . 2 . . . A 120 VAL HG21 . 18394 1 1535 . 1 1 120 120 VAL HG22 H 1 0.907 0.003 . 2 . . . A 120 VAL HG22 . 18394 1 1536 . 1 1 120 120 VAL HG23 H 1 0.907 0.003 . 2 . . . A 120 VAL HG23 . 18394 1 1537 . 1 1 120 120 VAL C C 13 175.120 0.027 . 1 . . . A 120 VAL C . 18394 1 1538 . 1 1 120 120 VAL CA C 13 60.644 0.018 . 1 . . . A 120 VAL CA . 18394 1 1539 . 1 1 120 120 VAL CB C 13 34.686 0.008 . 1 . . . A 120 VAL CB . 18394 1 1540 . 1 1 120 120 VAL CG1 C 13 21.065 0.007 . 2 . . . A 120 VAL CG1 . 18394 1 1541 . 1 1 120 120 VAL CG2 C 13 22.763 0.016 . 2 . . . A 120 VAL CG2 . 18394 1 1542 . 1 1 120 120 VAL N N 15 127.062 0.034 . 1 . . . A 120 VAL N . 18394 1 1543 . 1 1 121 121 ASN H H 1 8.613 0.001 . 1 . . . A 121 ASN H . 18394 1 1544 . 1 1 121 121 ASN HA H 1 4.708 0.004 . 1 . . . A 121 ASN HA . 18394 1 1545 . 1 1 121 121 ASN HB2 H 1 2.971 0.004 . 2 . . . A 121 ASN HB2 . 18394 1 1546 . 1 1 121 121 ASN HB3 H 1 3.873 0.007 . 2 . . . A 121 ASN HB3 . 18394 1 1547 . 1 1 121 121 ASN HD21 H 1 7.699 0.001 . 1 . . . A 121 ASN HD21 . 18394 1 1548 . 1 1 121 121 ASN HD22 H 1 7.800 0.01 . 1 . . . A 121 ASN HD22 . 18394 1 1549 . 1 1 121 121 ASN C C 13 175.996 0.016 . 1 . . . A 121 ASN C . 18394 1 1550 . 1 1 121 121 ASN CA C 13 51.704 0.003 . 1 . . . A 121 ASN CA . 18394 1 1551 . 1 1 121 121 ASN CB C 13 39.250 0.005 . 1 . . . A 121 ASN CB . 18394 1 1552 . 1 1 121 121 ASN N N 15 121.952 0.033 . 1 . . . A 121 ASN N . 18394 1 1553 . 1 1 121 121 ASN ND2 N 15 113.237 0.035 . 1 . . . A 121 ASN ND2 . 18394 1 1554 . 1 1 122 122 ARG H H 1 8.756 0.003 . 1 . . . A 122 ARG H . 18394 1 1555 . 1 1 122 122 ARG HA H 1 4.106 0.010 . 1 . . . A 122 ARG HA . 18394 1 1556 . 1 1 122 122 ARG HB2 H 1 1.764 0.01 . 1 . . . A 122 ARG HB2 . 18394 1 1557 . 1 1 122 122 ARG HB3 H 1 1.764 0.01 . 1 . . . A 122 ARG HB3 . 18394 1 1558 . 1 1 122 122 ARG HG2 H 1 1.334 0.01 . 1 . . . A 122 ARG HG2 . 18394 1 1559 . 1 1 122 122 ARG HG3 H 1 1.334 0.01 . 1 . . . A 122 ARG HG3 . 18394 1 1560 . 1 1 122 122 ARG HD2 H 1 3.070 0.01 . 1 . . . A 122 ARG HD2 . 18394 1 1561 . 1 1 122 122 ARG HD3 H 1 3.070 0.01 . 1 . . . A 122 ARG HD3 . 18394 1 1562 . 1 1 122 122 ARG C C 13 177.354 0.007 . 1 . . . A 122 ARG C . 18394 1 1563 . 1 1 122 122 ARG CA C 13 59.329 0.002 . 1 . . . A 122 ARG CA . 18394 1 1564 . 1 1 122 122 ARG CB C 13 30.710 0.05 . 1 . . . A 122 ARG CB . 18394 1 1565 . 1 1 122 122 ARG N N 15 115.347 0.035 . 1 . . . A 122 ARG N . 18394 1 1566 . 1 1 123 123 ASN H H 1 7.842 0.003 . 1 . . . A 123 ASN H . 18394 1 1567 . 1 1 123 123 ASN HA H 1 4.839 0.005 . 1 . . . A 123 ASN HA . 18394 1 1568 . 1 1 123 123 ASN HB2 H 1 2.913 0.004 . 2 . . . A 123 ASN HB2 . 18394 1 1569 . 1 1 123 123 ASN HB3 H 1 2.517 0.003 . 2 . . . A 123 ASN HB3 . 18394 1 1570 . 1 1 123 123 ASN HD21 H 1 7.562 0.001 . 1 . . . A 123 ASN HD21 . 18394 1 1571 . 1 1 123 123 ASN HD22 H 1 6.802 0.001 . 1 . . . A 123 ASN HD22 . 18394 1 1572 . 1 1 123 123 ASN C C 13 174.195 0.008 . 1 . . . A 123 ASN C . 18394 1 1573 . 1 1 123 123 ASN CA C 13 52.686 0.001 . 1 . . . A 123 ASN CA . 18394 1 1574 . 1 1 123 123 ASN CB C 13 38.445 0.005 . 1 . . . A 123 ASN CB . 18394 1 1575 . 1 1 123 123 ASN N N 15 116.940 0.044 . 1 . . . A 123 ASN N . 18394 1 1576 . 1 1 123 123 ASN ND2 N 15 112.351 0.036 . 1 . . . A 123 ASN ND2 . 18394 1 1577 . 1 1 124 124 ASN H H 1 8.573 0.001 . 1 . . . A 124 ASN H . 18394 1 1578 . 1 1 124 124 ASN HA H 1 3.940 0.005 . 1 . . . A 124 ASN HA . 18394 1 1579 . 1 1 124 124 ASN HB2 H 1 3.386 0.004 . 2 . . . A 124 ASN HB2 . 18394 1 1580 . 1 1 124 124 ASN HB3 H 1 2.424 0.005 . 2 . . . A 124 ASN HB3 . 18394 1 1581 . 1 1 124 124 ASN HD21 H 1 5.981 0.001 . 1 . . . A 124 ASN HD21 . 18394 1 1582 . 1 1 124 124 ASN HD22 H 1 7.920 0.001 . 1 . . . A 124 ASN HD22 . 18394 1 1583 . 1 1 124 124 ASN C C 13 172.362 0.029 . 1 . . . A 124 ASN C . 18394 1 1584 . 1 1 124 124 ASN CA C 13 54.907 0.003 . 1 . . . A 124 ASN CA . 18394 1 1585 . 1 1 124 124 ASN CB C 13 40.959 0.006 . 1 . . . A 124 ASN CB . 18394 1 1586 . 1 1 124 124 ASN N N 15 117.991 0.025 . 1 . . . A 124 ASN N . 18394 1 1587 . 1 1 124 124 ASN ND2 N 15 102.732 0.041 . 1 . . . A 124 ASN ND2 . 18394 1 1588 . 1 1 125 125 GLU H H 1 7.342 0.002 . 1 . . . A 125 GLU H . 18394 1 1589 . 1 1 125 125 GLU HA H 1 4.526 0.006 . 1 . . . A 125 GLU HA . 18394 1 1590 . 1 1 125 125 GLU HB2 H 1 1.979 0.006 . 2 . . . A 125 GLU HB2 . 18394 1 1591 . 1 1 125 125 GLU HB3 H 1 1.835 0.002 . 2 . . . A 125 GLU HB3 . 18394 1 1592 . 1 1 125 125 GLU HG2 H 1 2.120 0.004 . 1 . . . A 125 GLU HG2 . 18394 1 1593 . 1 1 125 125 GLU HG3 H 1 2.120 0.004 . 1 . . . A 125 GLU HG3 . 18394 1 1594 . 1 1 125 125 GLU C C 13 176.135 0.002 . 1 . . . A 125 GLU C . 18394 1 1595 . 1 1 125 125 GLU CA C 13 53.959 0.003 . 1 . . . A 125 GLU CA . 18394 1 1596 . 1 1 125 125 GLU CB C 13 31.106 0.007 . 1 . . . A 125 GLU CB . 18394 1 1597 . 1 1 125 125 GLU CG C 13 35.860 0.005 . 1 . . . A 125 GLU CG . 18394 1 1598 . 1 1 125 125 GLU N N 15 114.734 0.022 . 1 . . . A 125 GLU N . 18394 1 1599 . 1 1 126 126 LEU H H 1 8.820 0.002 . 1 . . . A 126 LEU H . 18394 1 1600 . 1 1 126 126 LEU HA H 1 4.238 0.006 . 1 . . . A 126 LEU HA . 18394 1 1601 . 1 1 126 126 LEU HB2 H 1 1.509 0.004 . 2 . . . A 126 LEU HB2 . 18394 1 1602 . 1 1 126 126 LEU HB3 H 1 1.957 0.005 . 2 . . . A 126 LEU HB3 . 18394 1 1603 . 1 1 126 126 LEU HG H 1 1.639 0.004 . 1 . . . A 126 LEU HG . 18394 1 1604 . 1 1 126 126 LEU HD11 H 1 1.125 0.005 . 2 . . . A 126 LEU HD11 . 18394 1 1605 . 1 1 126 126 LEU HD12 H 1 1.125 0.005 . 2 . . . A 126 LEU HD12 . 18394 1 1606 . 1 1 126 126 LEU HD13 H 1 1.125 0.005 . 2 . . . A 126 LEU HD13 . 18394 1 1607 . 1 1 126 126 LEU HD21 H 1 0.997 0.006 . 2 . . . A 126 LEU HD21 . 18394 1 1608 . 1 1 126 126 LEU HD22 H 1 0.997 0.006 . 2 . . . A 126 LEU HD22 . 18394 1 1609 . 1 1 126 126 LEU HD23 H 1 0.997 0.006 . 2 . . . A 126 LEU HD23 . 18394 1 1610 . 1 1 126 126 LEU C C 13 176.198 0.022 . 1 . . . A 126 LEU C . 18394 1 1611 . 1 1 126 126 LEU CA C 13 56.768 0.026 . 1 . . . A 126 LEU CA . 18394 1 1612 . 1 1 126 126 LEU CB C 13 41.832 0.010 . 1 . . . A 126 LEU CB . 18394 1 1613 . 1 1 126 126 LEU CG C 13 27.615 0.011 . 1 . . . A 126 LEU CG . 18394 1 1614 . 1 1 126 126 LEU CD1 C 13 24.726 0.001 . 2 . . . A 126 LEU CD1 . 18394 1 1615 . 1 1 126 126 LEU CD2 C 13 25.753 0.006 . 2 . . . A 126 LEU CD2 . 18394 1 1616 . 1 1 126 126 LEU N N 15 124.503 0.029 . 1 . . . A 126 LEU N . 18394 1 1617 . 1 1 127 127 SER H H 1 9.521 0.003 . 1 . . . A 127 SER H . 18394 1 1618 . 1 1 127 127 SER HA H 1 4.709 0.003 . 1 . . . A 127 SER HA . 18394 1 1619 . 1 1 127 127 SER HB2 H 1 3.743 0.004 . 2 . . . A 127 SER HB2 . 18394 1 1620 . 1 1 127 127 SER HB3 H 1 3.660 0.003 . 2 . . . A 127 SER HB3 . 18394 1 1621 . 1 1 127 127 SER C C 13 174.528 0.05 . 1 . . . A 127 SER C . 18394 1 1622 . 1 1 127 127 SER CA C 13 59.689 0.012 . 1 . . . A 127 SER CA . 18394 1 1623 . 1 1 127 127 SER CB C 13 65.094 0.006 . 1 . . . A 127 SER CB . 18394 1 1624 . 1 1 127 127 SER N N 15 123.570 0.031 . 1 . . . A 127 SER N . 18394 1 1625 . 1 1 128 128 ALA H H 1 7.875 0.002 . 1 . . . A 128 ALA H . 18394 1 1626 . 1 1 128 128 ALA HA H 1 4.772 0.008 . 1 . . . A 128 ALA HA . 18394 1 1627 . 1 1 128 128 ALA HB1 H 1 1.398 0.004 . 1 . . . A 128 ALA HB1 . 18394 1 1628 . 1 1 128 128 ALA HB2 H 1 1.398 0.004 . 1 . . . A 128 ALA HB2 . 18394 1 1629 . 1 1 128 128 ALA HB3 H 1 1.398 0.004 . 1 . . . A 128 ALA HB3 . 18394 1 1630 . 1 1 128 128 ALA C C 13 175.634 0.012 . 1 . . . A 128 ALA C . 18394 1 1631 . 1 1 128 128 ALA CA C 13 52.267 0.043 . 1 . . . A 128 ALA CA . 18394 1 1632 . 1 1 128 128 ALA CB C 13 22.917 0.002 . 1 . . . A 128 ALA CB . 18394 1 1633 . 1 1 128 128 ALA N N 15 117.731 0.029 . 1 . . . A 128 ALA N . 18394 1 1634 . 1 1 129 129 ARG H H 1 8.874 0.003 . 1 . . . A 129 ARG H . 18394 1 1635 . 1 1 129 129 ARG HA H 1 4.732 0.005 . 1 . . . A 129 ARG HA . 18394 1 1636 . 1 1 129 129 ARG HB2 H 1 2.178 0.002 . 2 . . . A 129 ARG HB2 . 18394 1 1637 . 1 1 129 129 ARG HB3 H 1 1.761 0.004 . 2 . . . A 129 ARG HB3 . 18394 1 1638 . 1 1 129 129 ARG HG2 H 1 1.780 0.002 . 1 . . . A 129 ARG HG2 . 18394 1 1639 . 1 1 129 129 ARG HG3 H 1 1.780 0.003 . 1 . . . A 129 ARG HG3 . 18394 1 1640 . 1 1 129 129 ARG HD2 H 1 3.538 0.002 . 2 . . . A 129 ARG HD2 . 18394 1 1641 . 1 1 129 129 ARG HD3 H 1 3.226 0.003 . 2 . . . A 129 ARG HD3 . 18394 1 1642 . 1 1 129 129 ARG C C 13 177.127 0.011 . 1 . . . A 129 ARG C . 18394 1 1643 . 1 1 129 129 ARG CA C 13 55.153 0.007 . 1 . . . A 129 ARG CA . 18394 1 1644 . 1 1 129 129 ARG CB C 13 32.753 0.008 . 1 . . . A 129 ARG CB . 18394 1 1645 . 1 1 129 129 ARG CG C 13 27.664 0.003 . 1 . . . A 129 ARG CG . 18394 1 1646 . 1 1 129 129 ARG CD C 13 43.432 0.004 . 1 . . . A 129 ARG CD . 18394 1 1647 . 1 1 129 129 ARG N N 15 119.678 0.031 . 1 . . . A 129 ARG N . 18394 1 1648 . 1 1 130 130 GLY H H 1 8.366 0.002 . 1 . . . A 130 GLY H . 18394 1 1649 . 1 1 130 130 GLY HA2 H 1 3.541 0.005 . 2 . . . A 130 GLY HA2 . 18394 1 1650 . 1 1 130 130 GLY HA3 H 1 4.045 0.004 . 2 . . . A 130 GLY HA3 . 18394 1 1651 . 1 1 130 130 GLY C C 13 175.100 0.001 . 1 . . . A 130 GLY C . 18394 1 1652 . 1 1 130 130 GLY CA C 13 47.869 0.007 . 1 . . . A 130 GLY CA . 18394 1 1653 . 1 1 130 130 GLY N N 15 109.845 0.025 . 1 . . . A 130 GLY N . 18394 1 1654 . 1 1 131 131 GLU H H 1 9.421 0.004 . 1 . . . A 131 GLU H . 18394 1 1655 . 1 1 131 131 GLU HA H 1 4.286 0.005 . 1 . . . A 131 GLU HA . 18394 1 1656 . 1 1 131 131 GLU HB2 H 1 2.097 0.003 . 2 . . . A 131 GLU HB2 . 18394 1 1657 . 1 1 131 131 GLU HB3 H 1 2.015 0.002 . 2 . . . A 131 GLU HB3 . 18394 1 1658 . 1 1 131 131 GLU HG2 H 1 2.315 0.003 . 2 . . . A 131 GLU HG2 . 18394 1 1659 . 1 1 131 131 GLU HG3 H 1 2.294 0.002 . 2 . . . A 131 GLU HG3 . 18394 1 1660 . 1 1 131 131 GLU C C 13 176.508 0.009 . 1 . . . A 131 GLU C . 18394 1 1661 . 1 1 131 131 GLU CA C 13 58.632 0.001 . 1 . . . A 131 GLU CA . 18394 1 1662 . 1 1 131 131 GLU CB C 13 28.700 0.007 . 1 . . . A 131 GLU CB . 18394 1 1663 . 1 1 131 131 GLU CG C 13 35.887 0.003 . 1 . . . A 131 GLU CG . 18394 1 1664 . 1 1 131 131 GLU N N 15 119.296 0.033 . 1 . . . A 131 GLU N . 18394 1 1665 . 1 1 132 132 ASN H H 1 8.064 0.002 . 1 . . . A 132 ASN H . 18394 1 1666 . 1 1 132 132 ASN HA H 1 5.018 0.005 . 1 . . . A 132 ASN HA . 18394 1 1667 . 1 1 132 132 ASN HB2 H 1 3.182 0.003 . 2 . . . A 132 ASN HB2 . 18394 1 1668 . 1 1 132 132 ASN HB3 H 1 2.791 0.004 . 2 . . . A 132 ASN HB3 . 18394 1 1669 . 1 1 132 132 ASN HD21 H 1 7.867 0.002 . 1 . . . A 132 ASN HD21 . 18394 1 1670 . 1 1 132 132 ASN HD22 H 1 7.108 0.002 . 1 . . . A 132 ASN HD22 . 18394 1 1671 . 1 1 132 132 ASN C C 13 174.707 0.007 . 1 . . . A 132 ASN C . 18394 1 1672 . 1 1 132 132 ASN CA C 13 52.593 0.004 . 1 . . . A 132 ASN CA . 18394 1 1673 . 1 1 132 132 ASN CB C 13 39.938 0.003 . 1 . . . A 132 ASN CB . 18394 1 1674 . 1 1 132 132 ASN N N 15 115.828 0.017 . 1 . . . A 132 ASN N . 18394 1 1675 . 1 1 132 132 ASN ND2 N 15 112.608 0.033 . 1 . . . A 132 ASN ND2 . 18394 1 1676 . 1 1 133 133 ILE H H 1 7.639 0.002 . 1 . . . A 133 ILE H . 18394 1 1677 . 1 1 133 133 ILE HA H 1 4.110 0.005 . 1 . . . A 133 ILE HA . 18394 1 1678 . 1 1 133 133 ILE HB H 1 1.879 0.004 . 1 . . . A 133 ILE HB . 18394 1 1679 . 1 1 133 133 ILE HG12 H 1 1.588 0.003 . 2 . . . A 133 ILE HG12 . 18394 1 1680 . 1 1 133 133 ILE HG13 H 1 0.942 0.002 . 2 . . . A 133 ILE HG13 . 18394 1 1681 . 1 1 133 133 ILE HG21 H 1 0.743 0.003 . 1 . . . A 133 ILE HG21 . 18394 1 1682 . 1 1 133 133 ILE HG22 H 1 0.743 0.003 . 1 . . . A 133 ILE HG22 . 18394 1 1683 . 1 1 133 133 ILE HG23 H 1 0.743 0.003 . 1 . . . A 133 ILE HG23 . 18394 1 1684 . 1 1 133 133 ILE HD11 H 1 0.626 0.004 . 1 . . . A 133 ILE HD11 . 18394 1 1685 . 1 1 133 133 ILE HD12 H 1 0.626 0.004 . 1 . . . A 133 ILE HD12 . 18394 1 1686 . 1 1 133 133 ILE HD13 H 1 0.626 0.004 . 1 . . . A 133 ILE HD13 . 18394 1 1687 . 1 1 133 133 ILE C C 13 175.528 0.05 . 1 . . . A 133 ILE C . 18394 1 1688 . 1 1 133 133 ILE CA C 13 60.800 0.012 . 1 . . . A 133 ILE CA . 18394 1 1689 . 1 1 133 133 ILE CB C 13 39.114 0.012 . 1 . . . A 133 ILE CB . 18394 1 1690 . 1 1 133 133 ILE CG1 C 13 26.480 0.016 . 1 . . . A 133 ILE CG1 . 18394 1 1691 . 1 1 133 133 ILE CG2 C 13 17.895 0.007 . 1 . . . A 133 ILE CG2 . 18394 1 1692 . 1 1 133 133 ILE CD1 C 13 13.359 0.007 . 1 . . . A 133 ILE CD1 . 18394 1 1693 . 1 1 133 133 ILE N N 15 122.062 0.034 . 1 . . . A 133 ILE N . 18394 1 1694 . 1 1 134 134 LYS HA H 1 4.262 0.001 . 1 . . . A 134 LYS HA . 18394 1 1695 . 1 1 134 134 LYS HB2 H 1 1.857 0.001 . 1 . . . A 134 LYS HB2 . 18394 1 1696 . 1 1 134 134 LYS HB3 H 1 1.857 0.001 . 1 . . . A 134 LYS HB3 . 18394 1 1697 . 1 1 134 134 LYS HG2 H 1 1.539 0.001 . 2 . . . A 134 LYS HG2 . 18394 1 1698 . 1 1 134 134 LYS HG3 H 1 1.447 0.002 . 2 . . . A 134 LYS HG3 . 18394 1 1699 . 1 1 134 134 LYS HD2 H 1 1.705 0.003 . 1 . . . A 134 LYS HD2 . 18394 1 1700 . 1 1 134 134 LYS HD3 H 1 1.705 0.003 . 1 . . . A 134 LYS HD3 . 18394 1 1701 . 1 1 134 134 LYS HE2 H 1 3.041 0.01 . 1 . . . A 134 LYS HE2 . 18394 1 1702 . 1 1 134 134 LYS HE3 H 1 3.041 0.01 . 1 . . . A 134 LYS HE3 . 18394 1 1703 . 1 1 134 134 LYS C C 13 176.617 0.05 . 1 . . . A 134 LYS C . 18394 1 1704 . 1 1 134 134 LYS CA C 13 58.007 0.006 . 1 . . . A 134 LYS CA . 18394 1 1705 . 1 1 134 134 LYS CB C 13 32.496 0.014 . 1 . . . A 134 LYS CB . 18394 1 1706 . 1 1 134 134 LYS CG C 13 24.971 0.007 . 1 . . . A 134 LYS CG . 18394 1 1707 . 1 1 134 134 LYS CD C 13 28.887 0.05 . 1 . . . A 134 LYS CD . 18394 1 1708 . 1 1 134 134 LYS CE C 13 42.008 0.05 . 1 . . . A 134 LYS CE . 18394 1 1709 . 1 1 135 135 ASP H H 1 7.535 0.001 . 1 . . . A 135 ASP H . 18394 1 1710 . 1 1 135 135 ASP HA H 1 4.813 0.002 . 1 . . . A 135 ASP HA . 18394 1 1711 . 1 1 135 135 ASP HB2 H 1 2.819 0.001 . 2 . . . A 135 ASP HB2 . 18394 1 1712 . 1 1 135 135 ASP HB3 H 1 2.536 0.002 . 2 . . . A 135 ASP HB3 . 18394 1 1713 . 1 1 135 135 ASP CA C 13 53.339 0.005 . 1 . . . A 135 ASP CA . 18394 1 1714 . 1 1 135 135 ASP CB C 13 42.471 0.005 . 1 . . . A 135 ASP CB . 18394 1 1715 . 1 1 135 135 ASP N N 15 117.896 0.027 . 1 . . . A 135 ASP N . 18394 1 1716 . 1 1 136 136 LEU H H 1 8.877 0.001 . 1 . . . A 136 LEU H . 18394 1 1717 . 1 1 136 136 LEU HA H 1 3.929 0.004 . 1 . . . A 136 LEU HA . 18394 1 1718 . 1 1 136 136 LEU HB2 H 1 1.734 0.003 . 2 . . . A 136 LEU HB2 . 18394 1 1719 . 1 1 136 136 LEU HB3 H 1 1.608 0.002 . 2 . . . A 136 LEU HB3 . 18394 1 1720 . 1 1 136 136 LEU HG H 1 1.708 0.001 . 1 . . . A 136 LEU HG . 18394 1 1721 . 1 1 136 136 LEU HD11 H 1 0.935 0.004 . 2 . . . A 136 LEU HD11 . 18394 1 1722 . 1 1 136 136 LEU HD12 H 1 0.935 0.004 . 2 . . . A 136 LEU HD12 . 18394 1 1723 . 1 1 136 136 LEU HD13 H 1 0.935 0.004 . 2 . . . A 136 LEU HD13 . 18394 1 1724 . 1 1 136 136 LEU HD21 H 1 0.862 0.004 . 2 . . . A 136 LEU HD21 . 18394 1 1725 . 1 1 136 136 LEU HD22 H 1 0.862 0.004 . 2 . . . A 136 LEU HD22 . 18394 1 1726 . 1 1 136 136 LEU HD23 H 1 0.862 0.004 . 2 . . . A 136 LEU HD23 . 18394 1 1727 . 1 1 136 136 LEU C C 13 177.057 0.05 . 1 . . . A 136 LEU C . 18394 1 1728 . 1 1 136 136 LEU CA C 13 58.171 0.003 . 1 . . . A 136 LEU CA . 18394 1 1729 . 1 1 136 136 LEU CB C 13 42.477 0.003 . 1 . . . A 136 LEU CB . 18394 1 1730 . 1 1 136 136 LEU CG C 13 27.190 0.001 . 1 . . . A 136 LEU CG . 18394 1 1731 . 1 1 136 136 LEU CD1 C 13 24.404 0.007 . 2 . . . A 136 LEU CD1 . 18394 1 1732 . 1 1 136 136 LEU CD2 C 13 24.809 0.008 . 2 . . . A 136 LEU CD2 . 18394 1 1733 . 1 1 136 136 LEU N N 15 128.582 0.05 . 1 . . . A 136 LEU N . 18394 1 1734 . 1 1 137 137 ASP H H 1 7.898 0.002 . 1 . . . A 137 ASP H . 18394 1 1735 . 1 1 137 137 ASP HA H 1 4.066 0.005 . 1 . . . A 137 ASP HA . 18394 1 1736 . 1 1 137 137 ASP HB2 H 1 2.917 0.004 . 2 . . . A 137 ASP HB2 . 18394 1 1737 . 1 1 137 137 ASP HB3 H 1 2.737 0.004 . 2 . . . A 137 ASP HB3 . 18394 1 1738 . 1 1 137 137 ASP C C 13 176.955 0.022 . 1 . . . A 137 ASP C . 18394 1 1739 . 1 1 137 137 ASP CA C 13 58.337 0.011 . 1 . . . A 137 ASP CA . 18394 1 1740 . 1 1 137 137 ASP CB C 13 42.105 0.039 . 1 . . . A 137 ASP CB . 18394 1 1741 . 1 1 137 137 ASP N N 15 118.104 0.030 . 1 . . . A 137 ASP N . 18394 1 1742 . 1 1 138 138 GLU H H 1 7.770 0.002 . 1 . . . A 138 GLU H . 18394 1 1743 . 1 1 138 138 GLU HA H 1 3.867 0.004 . 1 . . . A 138 GLU HA . 18394 1 1744 . 1 1 138 138 GLU HB2 H 1 1.985 0.003 . 1 . . . A 138 GLU HB2 . 18394 1 1745 . 1 1 138 138 GLU HB3 H 1 1.985 0.003 . 1 . . . A 138 GLU HB3 . 18394 1 1746 . 1 1 138 138 GLU HG2 H 1 2.326 0.002 . 2 . . . A 138 GLU HG2 . 18394 1 1747 . 1 1 138 138 GLU HG3 H 1 2.223 0.003 . 2 . . . A 138 GLU HG3 . 18394 1 1748 . 1 1 138 138 GLU C C 13 178.390 0.014 . 1 . . . A 138 GLU C . 18394 1 1749 . 1 1 138 138 GLU CA C 13 58.889 0.008 . 1 . . . A 138 GLU CA . 18394 1 1750 . 1 1 138 138 GLU CB C 13 29.875 0.002 . 1 . . . A 138 GLU CB . 18394 1 1751 . 1 1 138 138 GLU CG C 13 36.288 0.004 . 1 . . . A 138 GLU CG . 18394 1 1752 . 1 1 138 138 GLU N N 15 116.989 0.029 . 1 . . . A 138 GLU N . 18394 1 1753 . 1 1 139 139 ALA H H 1 7.821 0.002 . 1 . . . A 139 ALA H . 18394 1 1754 . 1 1 139 139 ALA HA H 1 4.039 0.003 . 1 . . . A 139 ALA HA . 18394 1 1755 . 1 1 139 139 ALA HB1 H 1 1.395 0.006 . 1 . . . A 139 ALA HB1 . 18394 1 1756 . 1 1 139 139 ALA HB2 H 1 1.395 0.006 . 1 . . . A 139 ALA HB2 . 18394 1 1757 . 1 1 139 139 ALA HB3 H 1 1.395 0.006 . 1 . . . A 139 ALA HB3 . 18394 1 1758 . 1 1 139 139 ALA C C 13 180.472 0.006 . 1 . . . A 139 ALA C . 18394 1 1759 . 1 1 139 139 ALA CA C 13 54.981 0.002 . 1 . . . A 139 ALA CA . 18394 1 1760 . 1 1 139 139 ALA CB C 13 18.946 0.004 . 1 . . . A 139 ALA CB . 18394 1 1761 . 1 1 139 139 ALA N N 15 120.003 0.032 . 1 . . . A 139 ALA N . 18394 1 1762 . 1 1 140 140 ILE H H 1 8.145 0.002 . 1 . . . A 140 ILE H . 18394 1 1763 . 1 1 140 140 ILE HA H 1 3.237 0.005 . 1 . . . A 140 ILE HA . 18394 1 1764 . 1 1 140 140 ILE HB H 1 1.360 0.004 . 1 . . . A 140 ILE HB . 18394 1 1765 . 1 1 140 140 ILE HG12 H 1 1.751 0.003 . 2 . . . A 140 ILE HG12 . 18394 1 1766 . 1 1 140 140 ILE HG13 H 1 0.595 0.004 . 2 . . . A 140 ILE HG13 . 18394 1 1767 . 1 1 140 140 ILE HG21 H 1 -0.323 0.004 . 1 . . . A 140 ILE HG21 . 18394 1 1768 . 1 1 140 140 ILE HG22 H 1 -0.323 0.004 . 1 . . . A 140 ILE HG22 . 18394 1 1769 . 1 1 140 140 ILE HG23 H 1 -0.323 0.004 . 1 . . . A 140 ILE HG23 . 18394 1 1770 . 1 1 140 140 ILE HD11 H 1 0.601 0.005 . 1 . . . A 140 ILE HD11 . 18394 1 1771 . 1 1 140 140 ILE HD12 H 1 0.601 0.005 . 1 . . . A 140 ILE HD12 . 18394 1 1772 . 1 1 140 140 ILE HD13 H 1 0.601 0.005 . 1 . . . A 140 ILE HD13 . 18394 1 1773 . 1 1 140 140 ILE C C 13 176.857 0.013 . 1 . . . A 140 ILE C . 18394 1 1774 . 1 1 140 140 ILE CA C 13 66.027 0.013 . 1 . . . A 140 ILE CA . 18394 1 1775 . 1 1 140 140 ILE CB C 13 37.981 0.010 . 1 . . . A 140 ILE CB . 18394 1 1776 . 1 1 140 140 ILE CG1 C 13 31.133 0.007 . 1 . . . A 140 ILE CG1 . 18394 1 1777 . 1 1 140 140 ILE CG2 C 13 16.839 0.002 . 1 . . . A 140 ILE CG2 . 18394 1 1778 . 1 1 140 140 ILE CD1 C 13 16.312 0.006 . 1 . . . A 140 ILE CD1 . 18394 1 1779 . 1 1 140 140 ILE N N 15 119.172 0.054 . 1 . . . A 140 ILE N . 18394 1 1780 . 1 1 141 141 LYS H H 1 7.926 0.002 . 1 . . . A 141 LYS H . 18394 1 1781 . 1 1 141 141 LYS HA H 1 3.496 0.005 . 1 . . . A 141 LYS HA . 18394 1 1782 . 1 1 141 141 LYS HB2 H 1 2.074 0.005 . 2 . . . A 141 LYS HB2 . 18394 1 1783 . 1 1 141 141 LYS HB3 H 1 1.836 0.002 . 2 . . . A 141 LYS HB3 . 18394 1 1784 . 1 1 141 141 LYS HG2 H 1 1.562 0.003 . 2 . . . A 141 LYS HG2 . 18394 1 1785 . 1 1 141 141 LYS HG3 H 1 1.365 0.002 . 2 . . . A 141 LYS HG3 . 18394 1 1786 . 1 1 141 141 LYS HD2 H 1 1.785 0.01 . 2 . . . A 141 LYS HD2 . 18394 1 1787 . 1 1 141 141 LYS HD3 H 1 1.744 0.005 . 2 . . . A 141 LYS HD3 . 18394 1 1788 . 1 1 141 141 LYS HE2 H 1 3.011 0.001 . 1 . . . A 141 LYS HE2 . 18394 1 1789 . 1 1 141 141 LYS HE3 H 1 3.011 0.001 . 1 . . . A 141 LYS HE3 . 18394 1 1790 . 1 1 141 141 LYS C C 13 179.287 0.028 . 1 . . . A 141 LYS C . 18394 1 1791 . 1 1 141 141 LYS CA C 13 60.622 0.004 . 1 . . . A 141 LYS CA . 18394 1 1792 . 1 1 141 141 LYS CB C 13 32.091 0.007 . 1 . . . A 141 LYS CB . 18394 1 1793 . 1 1 141 141 LYS CG C 13 25.192 0.009 . 1 . . . A 141 LYS CG . 18394 1 1794 . 1 1 141 141 LYS CD C 13 29.613 0.008 . 1 . . . A 141 LYS CD . 18394 1 1795 . 1 1 141 141 LYS CE C 13 41.867 0.05 . 1 . . . A 141 LYS CE . 18394 1 1796 . 1 1 141 141 LYS N N 15 119.800 0.025 . 1 . . . A 141 LYS N . 18394 1 1797 . 1 1 142 142 LYS H H 1 7.847 0.002 . 1 . . . A 142 LYS H . 18394 1 1798 . 1 1 142 142 LYS HA H 1 4.078 0.006 . 1 . . . A 142 LYS HA . 18394 1 1799 . 1 1 142 142 LYS HB2 H 1 1.848 0.002 . 1 . . . A 142 LYS HB2 . 18394 1 1800 . 1 1 142 142 LYS HB3 H 1 1.848 0.002 . 1 . . . A 142 LYS HB3 . 18394 1 1801 . 1 1 142 142 LYS HG2 H 1 1.599 0.003 . 2 . . . A 142 LYS HG2 . 18394 1 1802 . 1 1 142 142 LYS HG3 H 1 1.466 0.001 . 2 . . . A 142 LYS HG3 . 18394 1 1803 . 1 1 142 142 LYS HD2 H 1 1.711 0.01 . 1 . . . A 142 LYS HD2 . 18394 1 1804 . 1 1 142 142 LYS HD3 H 1 1.711 0.01 . 1 . . . A 142 LYS HD3 . 18394 1 1805 . 1 1 142 142 LYS HE2 H 1 2.930 0.005 . 1 . . . A 142 LYS HE2 . 18394 1 1806 . 1 1 142 142 LYS HE3 H 1 2.930 0.005 . 1 . . . A 142 LYS HE3 . 18394 1 1807 . 1 1 142 142 LYS C C 13 179.824 0.003 . 1 . . . A 142 LYS C . 18394 1 1808 . 1 1 142 142 LYS CA C 13 59.017 0.018 . 1 . . . A 142 LYS CA . 18394 1 1809 . 1 1 142 142 LYS CB C 13 32.457 0.019 . 1 . . . A 142 LYS CB . 18394 1 1810 . 1 1 142 142 LYS CG C 13 25.432 0.004 . 1 . . . A 142 LYS CG . 18394 1 1811 . 1 1 142 142 LYS CD C 13 29.043 0.05 . 1 . . . A 142 LYS CD . 18394 1 1812 . 1 1 142 142 LYS CE C 13 41.911 0.05 . 1 . . . A 142 LYS CE . 18394 1 1813 . 1 1 142 142 LYS N N 15 116.088 0.018 . 1 . . . A 142 LYS N . 18394 1 1814 . 1 1 143 143 LEU H H 1 7.599 0.002 . 1 . . . A 143 LEU H . 18394 1 1815 . 1 1 143 143 LEU HA H 1 4.282 0.004 . 1 . . . A 143 LEU HA . 18394 1 1816 . 1 1 143 143 LEU HB2 H 1 1.993 0.002 . 2 . . . A 143 LEU HB2 . 18394 1 1817 . 1 1 143 143 LEU HB3 H 1 1.560 0.006 . 2 . . . A 143 LEU HB3 . 18394 1 1818 . 1 1 143 143 LEU HG H 1 1.977 0.002 . 1 . . . A 143 LEU HG . 18394 1 1819 . 1 1 143 143 LEU HD11 H 1 0.968 0.004 . 2 . . . A 143 LEU HD11 . 18394 1 1820 . 1 1 143 143 LEU HD12 H 1 0.968 0.004 . 2 . . . A 143 LEU HD12 . 18394 1 1821 . 1 1 143 143 LEU HD13 H 1 0.968 0.004 . 2 . . . A 143 LEU HD13 . 18394 1 1822 . 1 1 143 143 LEU HD21 H 1 0.851 0.006 . 2 . . . A 143 LEU HD21 . 18394 1 1823 . 1 1 143 143 LEU HD22 H 1 0.851 0.006 . 2 . . . A 143 LEU HD22 . 18394 1 1824 . 1 1 143 143 LEU HD23 H 1 0.851 0.006 . 2 . . . A 143 LEU HD23 . 18394 1 1825 . 1 1 143 143 LEU C C 13 179.903 0.013 . 1 . . . A 143 LEU C . 18394 1 1826 . 1 1 143 143 LEU CA C 13 57.043 0.016 . 1 . . . A 143 LEU CA . 18394 1 1827 . 1 1 143 143 LEU CB C 13 42.738 0.016 . 1 . . . A 143 LEU CB . 18394 1 1828 . 1 1 143 143 LEU CG C 13 26.966 0.005 . 1 . . . A 143 LEU CG . 18394 1 1829 . 1 1 143 143 LEU CD1 C 13 23.103 0.003 . 2 . . . A 143 LEU CD1 . 18394 1 1830 . 1 1 143 143 LEU CD2 C 13 26.753 0.013 . 2 . . . A 143 LEU CD2 . 18394 1 1831 . 1 1 143 143 LEU N N 15 119.111 0.025 . 1 . . . A 143 LEU N . 18394 1 1832 . 1 1 144 144 LEU H H 1 8.431 0.001 . 1 . . . A 144 LEU H . 18394 1 1833 . 1 1 144 144 LEU HA H 1 4.037 0.004 . 1 . . . A 144 LEU HA . 18394 1 1834 . 1 1 144 144 LEU HB2 H 1 1.517 0.003 . 2 . . . A 144 LEU HB2 . 18394 1 1835 . 1 1 144 144 LEU HB3 H 1 1.961 0.003 . 2 . . . A 144 LEU HB3 . 18394 1 1836 . 1 1 144 144 LEU HG H 1 1.612 0.005 . 1 . . . A 144 LEU HG . 18394 1 1837 . 1 1 144 144 LEU HD11 H 1 0.780 0.007 . 2 . . . A 144 LEU HD11 . 18394 1 1838 . 1 1 144 144 LEU HD12 H 1 0.780 0.007 . 2 . . . A 144 LEU HD12 . 18394 1 1839 . 1 1 144 144 LEU HD13 H 1 0.780 0.007 . 2 . . . A 144 LEU HD13 . 18394 1 1840 . 1 1 144 144 LEU HD21 H 1 0.547 0.005 . 2 . . . A 144 LEU HD21 . 18394 1 1841 . 1 1 144 144 LEU HD22 H 1 0.547 0.005 . 2 . . . A 144 LEU HD22 . 18394 1 1842 . 1 1 144 144 LEU HD23 H 1 0.547 0.005 . 2 . . . A 144 LEU HD23 . 18394 1 1843 . 1 1 144 144 LEU C C 13 179.071 0.007 . 1 . . . A 144 LEU C . 18394 1 1844 . 1 1 144 144 LEU CA C 13 56.956 0.004 . 1 . . . A 144 LEU CA . 18394 1 1845 . 1 1 144 144 LEU CB C 13 42.572 0.009 . 1 . . . A 144 LEU CB . 18394 1 1846 . 1 1 144 144 LEU CG C 13 26.687 0.021 . 1 . . . A 144 LEU CG . 18394 1 1847 . 1 1 144 144 LEU CD1 C 13 23.621 0.049 . 2 . . . A 144 LEU CD1 . 18394 1 1848 . 1 1 144 144 LEU CD2 C 13 28.098 0.007 . 2 . . . A 144 LEU CD2 . 18394 1 1849 . 1 1 144 144 LEU N N 15 120.969 0.030 . 1 . . . A 144 LEU N . 18394 1 1850 . 1 1 145 145 GLU H H 1 7.575 0.002 . 1 . . . A 145 GLU H . 18394 1 1851 . 1 1 145 145 GLU HA H 1 4.265 0.004 . 1 . . . A 145 GLU HA . 18394 1 1852 . 1 1 145 145 GLU HB2 H 1 2.127 0.003 . 1 . . . A 145 GLU HB2 . 18394 1 1853 . 1 1 145 145 GLU HB3 H 1 2.127 0.003 . 1 . . . A 145 GLU HB3 . 18394 1 1854 . 1 1 145 145 GLU HG2 H 1 2.535 0.002 . 2 . . . A 145 GLU HG2 . 18394 1 1855 . 1 1 145 145 GLU HG3 H 1 2.341 0.001 . 2 . . . A 145 GLU HG3 . 18394 1 1856 . 1 1 145 145 GLU C C 13 177.204 0.005 . 1 . . . A 145 GLU C . 18394 1 1857 . 1 1 145 145 GLU CA C 13 57.184 0.025 . 1 . . . A 145 GLU CA . 18394 1 1858 . 1 1 145 145 GLU CB C 13 30.326 0.002 . 1 . . . A 145 GLU CB . 18394 1 1859 . 1 1 145 145 GLU CG C 13 36.479 0.006 . 1 . . . A 145 GLU CG . 18394 1 1860 . 1 1 145 145 GLU N N 15 117.481 0.022 . 1 . . . A 145 GLU N . 18394 1 1861 . 1 1 146 146 GLY H H 1 7.891 0.002 . 1 . . . A 146 GLY H . 18394 1 1862 . 1 1 146 146 GLY HA2 H 1 3.955 0.002 . 1 . . . A 146 GLY HA2 . 18394 1 1863 . 1 1 146 146 GLY HA3 H 1 3.955 0.002 . 1 . . . A 146 GLY HA3 . 18394 1 1864 . 1 1 146 146 GLY C C 13 173.691 0.05 . 1 . . . A 146 GLY C . 18394 1 1865 . 1 1 146 146 GLY CA C 13 45.608 0.05 . 1 . . . A 146 GLY CA . 18394 1 1866 . 1 1 146 146 GLY N N 15 107.455 0.030 . 1 . . . A 146 GLY N . 18394 1 1867 . 1 1 151 151 HIS HA H 1 4.629 0.01 . 1 . . . A 151 HIS HA . 18394 1 1868 . 1 1 151 151 HIS C C 13 174.021 0.006 . 1 . . . A 151 HIS C . 18394 1 1869 . 1 1 151 151 HIS CA C 13 56.278 0.05 . 1 . . . A 151 HIS CA . 18394 1 1870 . 1 1 151 151 HIS CB C 13 31.108 0.05 . 1 . . . A 151 HIS CB . 18394 1 1871 . 1 1 152 152 HIS H H 1 7.995 0.003 . 1 . . . A 152 HIS H . 18394 1 1872 . 1 1 152 152 HIS HA H 1 4.436 0.001 . 1 . . . A 152 HIS HA . 18394 1 1873 . 1 1 152 152 HIS HB2 H 1 3.193 0.001 . 2 . . . A 152 HIS HB2 . 18394 1 1874 . 1 1 152 152 HIS HB3 H 1 3.074 0.003 . 2 . . . A 152 HIS HB3 . 18394 1 1875 . 1 1 152 152 HIS C C 13 179.273 0.05 . 1 . . . A 152 HIS C . 18394 1 1876 . 1 1 152 152 HIS CA C 13 57.465 0.002 . 1 . . . A 152 HIS CA . 18394 1 1877 . 1 1 152 152 HIS CB C 13 30.773 0.006 . 1 . . . A 152 HIS CB . 18394 1 1878 . 1 1 152 152 HIS N N 15 125.640 0.018 . 1 . . . A 152 HIS N . 18394 1 stop_ save_