data_18411 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18411 _Entry.Title ; Solution structure of a putative protein disulfide isomerase from Bacteroides thetaiotaomicron ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-20 _Entry.Accession_date 2012-04-20 _Entry.Last_release_date 2012-05-22 _Entry.Original_release_date 2012-05-22 _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 . . . 18411 2 A. Bandaranayake . D. . 18411 3 R. Banu . . . 18411 4 J. Bonanno . B. . 18411 5 D. Calarese . A. . 18411 6 A. Celikgil . . . 18411 7 S. Chamala . . . 18411 8 M. Chan . K. . 18411 9 R. Chaparro . . . 18411 10 B. Evans . . . 18411 11 S. Garforth . . . 18411 12 A. Gizzi . . . 18411 13 B. Hillerich . . . 18411 14 A. Kar . . . 18411 15 J. Lafleur . . . 18411 16 S. Lim . . . 18411 17 J. Love . . . 18411 18 B. Matikainen . . . 18411 19 H. Patel . . . 18411 20 R. Seidel . D. . 18411 21 B. Smith . . . 18411 22 M. Stead . . . 18411 23 M. Girvin . E. . 18411 24 S. Almo . C. . 18411 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' . 18411 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'New York Structural Genomics Research Consortium' . 18411 'STRUCTURAL GENOMICS' . 18411 THIOREDOXIN-LIKE . 18411 'UNKNOWN FUNCTION' . 18411 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18411 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 695 18411 '15N chemical shifts' 147 18411 '1H chemical shifts' 1112 18411 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 . . 2012-05-22 2012-04-20 original author . 18411 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LS5 'BMRB Entry Tracking System' 18411 TargetDB NYSGRC-011533 . 18411 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18411 _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 a putative protein disulfide isomerase from Bacteroides thetaiotaomicron' _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 . . . 18411 1 2 A. Bandaranayake . D. . 18411 1 3 R. Banu . . . 18411 1 4 J. Bonanno . B. . 18411 1 5 D. Calarese . A. . 18411 1 6 A. Celikgil . . . 18411 1 7 S. Chamala . . . 18411 1 8 M. Chan . K. . 18411 1 9 R. Chaparro . . . 18411 1 10 B. Evans . . . 18411 1 11 S. Garforth . . . 18411 1 12 A. Gizzi . . . 18411 1 13 B. Hillerich . . . 18411 1 14 A. Kar . . . 18411 1 15 J. Lafleur . . . 18411 1 16 S. Lim . . . 18411 1 17 J. Love . . . 18411 1 18 B. Matikainen . . . 18411 1 19 H. Patel . . . 18411 1 20 R. Seidel . D. . 18411 1 21 B. Smith . . . 18411 1 22 M. Stead . . . 18411 1 23 M. Girvin . E. . 18411 1 24 S. Almo . C. . 18411 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18411 _Assembly.ID 1 _Assembly.Name 'putative protein disulfide isomerase' _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 'putative protein disulfide isomerase' 1 $putative_protein_disulfide_isomerase A . yes native no no . . . 18411 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_putative_protein_disulfide_isomerase _Entity.Sf_category entity _Entity.Sf_framecode putative_protein_disulfide_isomerase _Entity.Entry_ID 18411 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name putative_protein_disulfide_isomerase _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 ; MSLGYIVRIGEMAPDFTITL TDGKQVTLSSLRGKVVMLQF TASWCGVCRKEMPFIEKDIW LKHKDNADFALIGIDRDEPL EKVLAFAKSTGVTYPLGLDP GADIFAKYALRDAGITRNVL IDREGKIVKLTRLYNEEEFA SLVQQINEMLKEGHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; expressed sequence start-stop 53-200 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 159 _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 18022.982 _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 2LS5 . "Solution Structure Of A Putative Protein Disulfide Isomerase From Bacteroides Thetaiotaomicron" . . . . . 100.00 159 100.00 100.00 2.66e-113 . . . . 18411 1 2 no EMBL CDE75657 . "uncharacterized protein BN644_01685 [Bacteroides thetaiotaomicron CAG:40]" . . . . . 94.34 215 98.67 99.33 4.83e-104 . . . . 18411 1 3 no EMBL CUN16544 . "protein disulfide isomerase [Bacteroides thetaiotaomicron]" . . . . . 94.34 215 99.33 99.33 9.09e-105 . . . . 18411 1 4 no EMBL CUP25757 . "protein disulfide isomerase [Bacteroides thetaiotaomicron]" . . . . . 94.34 215 97.33 98.00 3.02e-102 . . . . 18411 1 5 no EMBL CUQ38286 . "protein disulfide isomerase [Bacteroides thetaiotaomicron]" . . . . . 94.34 215 98.67 99.33 4.94e-104 . . . . 18411 1 6 no GB AAO76690 . "putative protein disulfide isomerase [Bacteroides thetaiotaomicron VPI-5482]" . . . . . 94.34 200 99.33 99.33 3.42e-105 . . . . 18411 1 7 no GB ALJ41047 . "Thiol-disulfide oxidoreductase ResA [Bacteroides thetaiotaomicron]" . . . . . 94.34 215 99.33 99.33 8.61e-105 . . . . 18411 1 8 no GB EES65847 . "hypothetical protein BSIG_5041 [Bacteroides sp. 1_1_6]" . . . . . 94.34 215 98.67 99.33 4.83e-104 . . . . 18411 1 9 no GB EFI03545 . "protein disulfide isomerase [Bacteroides sp. 1_1_14]" . . . . . 94.34 200 99.33 99.33 3.24e-105 . . . . 18411 1 10 no GB EOS03325 . "hypothetical protein C799_00307 [Bacteroides thetaiotaomicron dnLKV9]" . . . . . 94.34 215 98.67 99.33 4.83e-104 . . . . 18411 1 11 no REF NP_810496 . "protein disulfide isomerase [Bacteroides thetaiotaomicron VPI-5482]" . . . . . 94.34 200 99.33 99.33 3.42e-105 . . . . 18411 1 12 no REF WP_011107875 . "protein disulfide-isomerase [Bacteroides thetaiotaomicron]" . . . . . 94.34 200 99.33 99.33 3.42e-105 . . . . 18411 1 13 no REF WP_032813276 . "MULTISPECIES: protein disulfide-isomerase [Bacteroides]" . . . . . 94.34 200 98.67 99.33 2.03e-104 . . . . 18411 1 14 no REF WP_055221217 . "protein disulfide-isomerase [Bacteroides thetaiotaomicron]" . . . . . 94.34 200 98.67 99.33 1.78e-104 . . . . 18411 1 15 no REF WP_055229342 . "protein disulfide-isomerase [Bacteroides thetaiotaomicron]" . . . . . 94.34 200 99.33 99.33 3.53e-105 . . . . 18411 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 . 18411 1 2 . SER . 18411 1 3 . LEU . 18411 1 4 . GLY . 18411 1 5 . TYR . 18411 1 6 . ILE . 18411 1 7 . VAL . 18411 1 8 . ARG . 18411 1 9 . ILE . 18411 1 10 . GLY . 18411 1 11 . GLU . 18411 1 12 . MET . 18411 1 13 . ALA . 18411 1 14 . PRO . 18411 1 15 . ASP . 18411 1 16 . PHE . 18411 1 17 . THR . 18411 1 18 . ILE . 18411 1 19 . THR . 18411 1 20 . LEU . 18411 1 21 . THR . 18411 1 22 . ASP . 18411 1 23 . GLY . 18411 1 24 . LYS . 18411 1 25 . GLN . 18411 1 26 . VAL . 18411 1 27 . THR . 18411 1 28 . LEU . 18411 1 29 . SER . 18411 1 30 . SER . 18411 1 31 . LEU . 18411 1 32 . ARG . 18411 1 33 . GLY . 18411 1 34 . LYS . 18411 1 35 . VAL . 18411 1 36 . VAL . 18411 1 37 . MET . 18411 1 38 . LEU . 18411 1 39 . GLN . 18411 1 40 . PHE . 18411 1 41 . THR . 18411 1 42 . ALA . 18411 1 43 . SER . 18411 1 44 . TRP . 18411 1 45 . CYS . 18411 1 46 . GLY . 18411 1 47 . VAL . 18411 1 48 . CYS . 18411 1 49 . ARG . 18411 1 50 . LYS . 18411 1 51 . GLU . 18411 1 52 . MET . 18411 1 53 . PRO . 18411 1 54 . PHE . 18411 1 55 . ILE . 18411 1 56 . GLU . 18411 1 57 . LYS . 18411 1 58 . ASP . 18411 1 59 . ILE . 18411 1 60 . TRP . 18411 1 61 . LEU . 18411 1 62 . LYS . 18411 1 63 . HIS . 18411 1 64 . LYS . 18411 1 65 . ASP . 18411 1 66 . ASN . 18411 1 67 . ALA . 18411 1 68 . ASP . 18411 1 69 . PHE . 18411 1 70 . ALA . 18411 1 71 . LEU . 18411 1 72 . ILE . 18411 1 73 . GLY . 18411 1 74 . ILE . 18411 1 75 . ASP . 18411 1 76 . ARG . 18411 1 77 . ASP . 18411 1 78 . GLU . 18411 1 79 . PRO . 18411 1 80 . LEU . 18411 1 81 . GLU . 18411 1 82 . LYS . 18411 1 83 . VAL . 18411 1 84 . LEU . 18411 1 85 . ALA . 18411 1 86 . PHE . 18411 1 87 . ALA . 18411 1 88 . LYS . 18411 1 89 . SER . 18411 1 90 . THR . 18411 1 91 . GLY . 18411 1 92 . VAL . 18411 1 93 . THR . 18411 1 94 . TYR . 18411 1 95 . PRO . 18411 1 96 . LEU . 18411 1 97 . GLY . 18411 1 98 . LEU . 18411 1 99 . ASP . 18411 1 100 . PRO . 18411 1 101 . GLY . 18411 1 102 . ALA . 18411 1 103 . ASP . 18411 1 104 . ILE . 18411 1 105 . PHE . 18411 1 106 . ALA . 18411 1 107 . LYS . 18411 1 108 . TYR . 18411 1 109 . ALA . 18411 1 110 . LEU . 18411 1 111 . ARG . 18411 1 112 . ASP . 18411 1 113 . ALA . 18411 1 114 . GLY . 18411 1 115 . ILE . 18411 1 116 . THR . 18411 1 117 . ARG . 18411 1 118 . ASN . 18411 1 119 . VAL . 18411 1 120 . LEU . 18411 1 121 . ILE . 18411 1 122 . ASP . 18411 1 123 . ARG . 18411 1 124 . GLU . 18411 1 125 . GLY . 18411 1 126 . LYS . 18411 1 127 . ILE . 18411 1 128 . VAL . 18411 1 129 . LYS . 18411 1 130 . LEU . 18411 1 131 . THR . 18411 1 132 . ARG . 18411 1 133 . LEU . 18411 1 134 . TYR . 18411 1 135 . ASN . 18411 1 136 . GLU . 18411 1 137 . GLU . 18411 1 138 . GLU . 18411 1 139 . PHE . 18411 1 140 . ALA . 18411 1 141 . SER . 18411 1 142 . LEU . 18411 1 143 . VAL . 18411 1 144 . GLN . 18411 1 145 . GLN . 18411 1 146 . ILE . 18411 1 147 . ASN . 18411 1 148 . GLU . 18411 1 149 . MET . 18411 1 150 . LEU . 18411 1 151 . LYS . 18411 1 152 . GLU . 18411 1 153 . GLY . 18411 1 154 . HIS . 18411 1 155 . HIS . 18411 1 156 . HIS . 18411 1 157 . HIS . 18411 1 158 . HIS . 18411 1 159 . HIS . 18411 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 18411 1 . SER 2 2 18411 1 . LEU 3 3 18411 1 . GLY 4 4 18411 1 . TYR 5 5 18411 1 . ILE 6 6 18411 1 . VAL 7 7 18411 1 . ARG 8 8 18411 1 . ILE 9 9 18411 1 . GLY 10 10 18411 1 . GLU 11 11 18411 1 . MET 12 12 18411 1 . ALA 13 13 18411 1 . PRO 14 14 18411 1 . ASP 15 15 18411 1 . PHE 16 16 18411 1 . THR 17 17 18411 1 . ILE 18 18 18411 1 . THR 19 19 18411 1 . LEU 20 20 18411 1 . THR 21 21 18411 1 . ASP 22 22 18411 1 . GLY 23 23 18411 1 . LYS 24 24 18411 1 . GLN 25 25 18411 1 . VAL 26 26 18411 1 . THR 27 27 18411 1 . LEU 28 28 18411 1 . SER 29 29 18411 1 . SER 30 30 18411 1 . LEU 31 31 18411 1 . ARG 32 32 18411 1 . GLY 33 33 18411 1 . LYS 34 34 18411 1 . VAL 35 35 18411 1 . VAL 36 36 18411 1 . MET 37 37 18411 1 . LEU 38 38 18411 1 . GLN 39 39 18411 1 . PHE 40 40 18411 1 . THR 41 41 18411 1 . ALA 42 42 18411 1 . SER 43 43 18411 1 . TRP 44 44 18411 1 . CYS 45 45 18411 1 . GLY 46 46 18411 1 . VAL 47 47 18411 1 . CYS 48 48 18411 1 . ARG 49 49 18411 1 . LYS 50 50 18411 1 . GLU 51 51 18411 1 . MET 52 52 18411 1 . PRO 53 53 18411 1 . PHE 54 54 18411 1 . ILE 55 55 18411 1 . GLU 56 56 18411 1 . LYS 57 57 18411 1 . ASP 58 58 18411 1 . ILE 59 59 18411 1 . TRP 60 60 18411 1 . LEU 61 61 18411 1 . LYS 62 62 18411 1 . HIS 63 63 18411 1 . LYS 64 64 18411 1 . ASP 65 65 18411 1 . ASN 66 66 18411 1 . ALA 67 67 18411 1 . ASP 68 68 18411 1 . PHE 69 69 18411 1 . ALA 70 70 18411 1 . LEU 71 71 18411 1 . ILE 72 72 18411 1 . GLY 73 73 18411 1 . ILE 74 74 18411 1 . ASP 75 75 18411 1 . ARG 76 76 18411 1 . ASP 77 77 18411 1 . GLU 78 78 18411 1 . PRO 79 79 18411 1 . LEU 80 80 18411 1 . GLU 81 81 18411 1 . LYS 82 82 18411 1 . VAL 83 83 18411 1 . LEU 84 84 18411 1 . ALA 85 85 18411 1 . PHE 86 86 18411 1 . ALA 87 87 18411 1 . LYS 88 88 18411 1 . SER 89 89 18411 1 . THR 90 90 18411 1 . GLY 91 91 18411 1 . VAL 92 92 18411 1 . THR 93 93 18411 1 . TYR 94 94 18411 1 . PRO 95 95 18411 1 . LEU 96 96 18411 1 . GLY 97 97 18411 1 . LEU 98 98 18411 1 . ASP 99 99 18411 1 . PRO 100 100 18411 1 . GLY 101 101 18411 1 . ALA 102 102 18411 1 . ASP 103 103 18411 1 . ILE 104 104 18411 1 . PHE 105 105 18411 1 . ALA 106 106 18411 1 . LYS 107 107 18411 1 . TYR 108 108 18411 1 . ALA 109 109 18411 1 . LEU 110 110 18411 1 . ARG 111 111 18411 1 . ASP 112 112 18411 1 . ALA 113 113 18411 1 . GLY 114 114 18411 1 . ILE 115 115 18411 1 . THR 116 116 18411 1 . ARG 117 117 18411 1 . ASN 118 118 18411 1 . VAL 119 119 18411 1 . LEU 120 120 18411 1 . ILE 121 121 18411 1 . ASP 122 122 18411 1 . ARG 123 123 18411 1 . GLU 124 124 18411 1 . GLY 125 125 18411 1 . LYS 126 126 18411 1 . ILE 127 127 18411 1 . VAL 128 128 18411 1 . LYS 129 129 18411 1 . LEU 130 130 18411 1 . THR 131 131 18411 1 . ARG 132 132 18411 1 . LEU 133 133 18411 1 . TYR 134 134 18411 1 . ASN 135 135 18411 1 . GLU 136 136 18411 1 . GLU 137 137 18411 1 . GLU 138 138 18411 1 . PHE 139 139 18411 1 . ALA 140 140 18411 1 . SER 141 141 18411 1 . LEU 142 142 18411 1 . VAL 143 143 18411 1 . GLN 144 144 18411 1 . GLN 145 145 18411 1 . ILE 146 146 18411 1 . ASN 147 147 18411 1 . GLU 148 148 18411 1 . MET 149 149 18411 1 . LEU 150 150 18411 1 . LYS 151 151 18411 1 . GLU 152 152 18411 1 . GLY 153 153 18411 1 . HIS 154 154 18411 1 . HIS 155 155 18411 1 . HIS 156 156 18411 1 . HIS 157 157 18411 1 . HIS 158 158 18411 1 . HIS 159 159 18411 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 18411 _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 $putative_protein_disulfide_isomerase . 818 organism . 'Bacteroides thetaiotaomicron' 'Bacteroides fragilis subsp. thetaiotaomicron' . . Baceteria . Bacteroides thetaiotaomicron . . . . . . . . . . . . . . . . . . . . . 18411 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 18411 _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 $putative_protein_disulfide_isomerase . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . pET . . 'modified pET26' . . . . . . 18411 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18411 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA' _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 'putative protein disulfide isomerase' '[U-13C; U-15N]' . . 1 $putative_protein_disulfide_isomerase . . 1 . . mM . . . . 18411 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18411 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18411 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18411 1 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18411 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18411 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18411 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18411 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM Na phosphate buffer, 50mM NaCl, pH 7.4, 1mM DTT, 1mM EDTA' _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 'putative protein disulfide isomerase' '[U-13C; U-15N]' . . 1 $putative_protein_disulfide_isomerase . . 1 . . mM . . . . 18411 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18411 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18411 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 18411 2 5 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 18411 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18411 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 18411 _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 18411 1 pH 7.4 . pH 18411 1 pressure 1 . atm 18411 1 temperature 303 . K 18411 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18411 _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.' . . 18411 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18411 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18411 _Software.ID 2 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18411 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18411 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18411 _Software.ID 3 _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' . . 18411 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18411 3 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 18411 _Software.ID 4 _Software.Name VNMRJ _Software.Version 2.2D _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 18411 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18411 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18411 _Software.ID 5 _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' . . 18411 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18411 5 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 18411 _Software.ID 6 _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 . . 18411 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18411 6 'data analysis' 18411 6 'peak picking' 18411 6 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 18411 _Software.ID 7 _Software.Name MDDNMR _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDNMR) Orekhov, Jaravine, Kazimierczuk' . . 18411 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18411 7 processing 18411 7 stop_ save_ save_MDDGUI _Software.Sf_category software _Software.Sf_framecode MDDGUI _Software.Entry_ID 18411 _Software.ID 8 _Software.Name MDDGUI _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID '(MDDGUI) Lemak, Gutmanas, Chitayat, Karra, Fares, Sunnerhagen, Arrowsmith' . . 18411 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18411 8 processing 18411 8 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 18411 _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 18411 _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_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18411 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 18411 _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 . . . 18411 1 2 spectrometer_2 Bruker Avance . 700 . . . 18411 1 3 spectrometer_3 Bruker Avance . 900 . . . 18411 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 18411 _Experiment_list.ID 1 _Experiment_list.Details 'All 3Ds were acquired using NUS with either 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 . . . . . . . . . . . . . . . . 18411 1 2 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18411 1 3 '13C CT-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18411 1 4 'aromatic 13C CT-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18411 1 5 '13C NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18411 1 6 '13C aromatic NOESY-HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18411 1 7 HNCO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18411 1 8 HNCACO no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18411 1 9 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18411 1 10 HNCOCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18411 1 11 HNCACB no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18411 1 12 CBCACONH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18411 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 18411 _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 . . . . . . . . . 18411 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18411 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18411 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 18411 _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' . . . 18411 1 3 '13C CT-HSQC' . . . 18411 1 4 'aromatic 13C CT-HSQC' . . . 18411 1 7 HNCO . . . 18411 1 8 HNCACO . . . 18411 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 LEU HA H 1 3.930 0.006 . 1 . . . A 3 LEU HA . 18411 1 2 . 1 1 3 3 LEU HB2 H 1 1.858 0.010 . 1 . . . A 3 LEU HB2 . 18411 1 3 . 1 1 3 3 LEU HB3 H 1 1.858 0.010 . 1 . . . A 3 LEU HB3 . 18411 1 4 . 1 1 3 3 LEU HG H 1 1.639 0.005 . 1 . . . A 3 LEU HG . 18411 1 5 . 1 1 3 3 LEU HD11 H 1 1.054 0.008 . 2 . . . A 3 LEU HD11 . 18411 1 6 . 1 1 3 3 LEU HD12 H 1 1.054 0.008 . 2 . . . A 3 LEU HD12 . 18411 1 7 . 1 1 3 3 LEU HD13 H 1 1.054 0.008 . 2 . . . A 3 LEU HD13 . 18411 1 8 . 1 1 3 3 LEU HD21 H 1 1.003 0.011 . 2 . . . A 3 LEU HD21 . 18411 1 9 . 1 1 3 3 LEU HD22 H 1 1.003 0.011 . 2 . . . A 3 LEU HD22 . 18411 1 10 . 1 1 3 3 LEU HD23 H 1 1.003 0.011 . 2 . . . A 3 LEU HD23 . 18411 1 11 . 1 1 3 3 LEU CA C 13 58.669 0.050 . 1 . . . A 3 LEU CA . 18411 1 12 . 1 1 3 3 LEU CB C 13 42.010 0.050 . 1 . . . A 3 LEU CB . 18411 1 13 . 1 1 3 3 LEU CG C 13 27.605 0.050 . 1 . . . A 3 LEU CG . 18411 1 14 . 1 1 3 3 LEU CD1 C 13 23.982 0.011 . 2 . . . A 3 LEU CD1 . 18411 1 15 . 1 1 3 3 LEU CD2 C 13 25.538 0.027 . 2 . . . A 3 LEU CD2 . 18411 1 16 . 1 1 4 4 GLY HA2 H 1 4.048 0.008 . 2 . . . A 4 GLY HA2 . 18411 1 17 . 1 1 4 4 GLY HA3 H 1 3.654 0.006 . 2 . . . A 4 GLY HA3 . 18411 1 18 . 1 1 4 4 GLY C C 13 173.604 0.021 . 1 . . . A 4 GLY C . 18411 1 19 . 1 1 4 4 GLY CA C 13 46.072 0.080 . 1 . . . A 4 GLY CA . 18411 1 20 . 1 1 5 5 TYR H H 1 7.849 0.004 . 1 . . . A 5 TYR H . 18411 1 21 . 1 1 5 5 TYR HA H 1 4.769 0.006 . 1 . . . A 5 TYR HA . 18411 1 22 . 1 1 5 5 TYR HB2 H 1 3.179 0.008 . 2 . . . A 5 TYR HB2 . 18411 1 23 . 1 1 5 5 TYR HB3 H 1 3.323 0.005 . 2 . . . A 5 TYR HB3 . 18411 1 24 . 1 1 5 5 TYR HD1 H 1 7.560 0.009 . 3 . . . A 5 TYR HD1 . 18411 1 25 . 1 1 5 5 TYR HD2 H 1 7.560 0.009 . 3 . . . A 5 TYR HD2 . 18411 1 26 . 1 1 5 5 TYR HE1 H 1 6.564 0.006 . 3 . . . A 5 TYR HE1 . 18411 1 27 . 1 1 5 5 TYR HE2 H 1 6.564 0.006 . 3 . . . A 5 TYR HE2 . 18411 1 28 . 1 1 5 5 TYR C C 13 177.898 0.001 . 1 . . . A 5 TYR C . 18411 1 29 . 1 1 5 5 TYR CA C 13 60.102 0.073 . 1 . . . A 5 TYR CA . 18411 1 30 . 1 1 5 5 TYR CB C 13 39.615 0.049 . 1 . . . A 5 TYR CB . 18411 1 31 . 1 1 5 5 TYR CD1 C 13 134.279 0.034 . 3 . . . A 5 TYR CD1 . 18411 1 32 . 1 1 5 5 TYR CD2 C 13 134.279 0.034 . 3 . . . A 5 TYR CD2 . 18411 1 33 . 1 1 5 5 TYR CE1 C 13 118.498 0.026 . 3 . . . A 5 TYR CE1 . 18411 1 34 . 1 1 5 5 TYR CE2 C 13 118.498 0.026 . 3 . . . A 5 TYR CE2 . 18411 1 35 . 1 1 5 5 TYR N N 15 116.195 0.024 . 1 . . . A 5 TYR N . 18411 1 36 . 1 1 6 6 ILE H H 1 8.687 0.003 . 1 . . . A 6 ILE H . 18411 1 37 . 1 1 6 6 ILE HA H 1 4.514 0.002 . 1 . . . A 6 ILE HA . 18411 1 38 . 1 1 6 6 ILE HB H 1 1.945 0.002 . 1 . . . A 6 ILE HB . 18411 1 39 . 1 1 6 6 ILE HG12 H 1 1.015 0.005 . 2 . . . A 6 ILE HG12 . 18411 1 40 . 1 1 6 6 ILE HG13 H 1 0.394 0.007 . 2 . . . A 6 ILE HG13 . 18411 1 41 . 1 1 6 6 ILE HG21 H 1 0.773 0.006 . 1 . . . A 6 ILE HG21 . 18411 1 42 . 1 1 6 6 ILE HG22 H 1 0.773 0.006 . 1 . . . A 6 ILE HG22 . 18411 1 43 . 1 1 6 6 ILE HG23 H 1 0.773 0.006 . 1 . . . A 6 ILE HG23 . 18411 1 44 . 1 1 6 6 ILE HD11 H 1 0.698 0.004 . 1 . . . A 6 ILE HD11 . 18411 1 45 . 1 1 6 6 ILE HD12 H 1 0.698 0.004 . 1 . . . A 6 ILE HD12 . 18411 1 46 . 1 1 6 6 ILE HD13 H 1 0.698 0.004 . 1 . . . A 6 ILE HD13 . 18411 1 47 . 1 1 6 6 ILE C C 13 175.977 0.069 . 1 . . . A 6 ILE C . 18411 1 48 . 1 1 6 6 ILE CA C 13 61.623 0.090 . 1 . . . A 6 ILE CA . 18411 1 49 . 1 1 6 6 ILE CB C 13 38.270 0.032 . 1 . . . A 6 ILE CB . 18411 1 50 . 1 1 6 6 ILE CG1 C 13 26.716 0.023 . 1 . . . A 6 ILE CG1 . 18411 1 51 . 1 1 6 6 ILE CG2 C 13 18.174 0.004 . 1 . . . A 6 ILE CG2 . 18411 1 52 . 1 1 6 6 ILE CD1 C 13 14.358 0.011 . 1 . . . A 6 ILE CD1 . 18411 1 53 . 1 1 6 6 ILE N N 15 115.338 0.035 . 1 . . . A 6 ILE N . 18411 1 54 . 1 1 7 7 VAL H H 1 6.845 0.002 . 1 . . . A 7 VAL H . 18411 1 55 . 1 1 7 7 VAL HA H 1 4.730 0.002 . 1 . . . A 7 VAL HA . 18411 1 56 . 1 1 7 7 VAL HB H 1 2.055 0.006 . 1 . . . A 7 VAL HB . 18411 1 57 . 1 1 7 7 VAL HG11 H 1 0.826 0.006 . 2 . . . A 7 VAL HG11 . 18411 1 58 . 1 1 7 7 VAL HG12 H 1 0.826 0.006 . 2 . . . A 7 VAL HG12 . 18411 1 59 . 1 1 7 7 VAL HG13 H 1 0.826 0.006 . 2 . . . A 7 VAL HG13 . 18411 1 60 . 1 1 7 7 VAL HG21 H 1 1.021 0.006 . 2 . . . A 7 VAL HG21 . 18411 1 61 . 1 1 7 7 VAL HG22 H 1 1.021 0.006 . 2 . . . A 7 VAL HG22 . 18411 1 62 . 1 1 7 7 VAL HG23 H 1 1.021 0.006 . 2 . . . A 7 VAL HG23 . 18411 1 63 . 1 1 7 7 VAL C C 13 174.331 0.001 . 1 . . . A 7 VAL C . 18411 1 64 . 1 1 7 7 VAL CA C 13 58.867 0.090 . 1 . . . A 7 VAL CA . 18411 1 65 . 1 1 7 7 VAL CB C 13 34.475 0.027 . 1 . . . A 7 VAL CB . 18411 1 66 . 1 1 7 7 VAL CG1 C 13 22.541 0.034 . 2 . . . A 7 VAL CG1 . 18411 1 67 . 1 1 7 7 VAL CG2 C 13 18.497 0.013 . 2 . . . A 7 VAL CG2 . 18411 1 68 . 1 1 7 7 VAL N N 15 113.122 0.024 . 1 . . . A 7 VAL N . 18411 1 69 . 1 1 8 8 ARG H H 1 7.978 0.003 . 1 . . . A 8 ARG H . 18411 1 70 . 1 1 8 8 ARG HA H 1 4.539 0.003 . 1 . . . A 8 ARG HA . 18411 1 71 . 1 1 8 8 ARG HB2 H 1 1.805 0.005 . 2 . . . A 8 ARG HB2 . 18411 1 72 . 1 1 8 8 ARG HB3 H 1 1.442 0.003 . 2 . . . A 8 ARG HB3 . 18411 1 73 . 1 1 8 8 ARG HG2 H 1 1.571 0.004 . 2 . . . A 8 ARG HG2 . 18411 1 74 . 1 1 8 8 ARG HG3 H 1 1.446 0.003 . 2 . . . A 8 ARG HG3 . 18411 1 75 . 1 1 8 8 ARG HD2 H 1 3.139 0.012 . 2 . . . A 8 ARG HD2 . 18411 1 76 . 1 1 8 8 ARG HD3 H 1 3.116 0.007 . 2 . . . A 8 ARG HD3 . 18411 1 77 . 1 1 8 8 ARG C C 13 175.618 0.005 . 1 . . . A 8 ARG C . 18411 1 78 . 1 1 8 8 ARG CA C 13 53.717 0.054 . 1 . . . A 8 ARG CA . 18411 1 79 . 1 1 8 8 ARG CB C 13 34.126 0.025 . 1 . . . A 8 ARG CB . 18411 1 80 . 1 1 8 8 ARG CG C 13 27.058 0.028 . 1 . . . A 8 ARG CG . 18411 1 81 . 1 1 8 8 ARG CD C 13 43.274 0.029 . 1 . . . A 8 ARG CD . 18411 1 82 . 1 1 8 8 ARG N N 15 117.597 0.045 . 1 . . . A 8 ARG N . 18411 1 83 . 1 1 9 9 ILE H H 1 8.085 0.004 . 1 . . . A 9 ILE H . 18411 1 84 . 1 1 9 9 ILE HA H 1 3.465 0.004 . 1 . . . A 9 ILE HA . 18411 1 85 . 1 1 9 9 ILE HB H 1 1.775 0.003 . 1 . . . A 9 ILE HB . 18411 1 86 . 1 1 9 9 ILE HG12 H 1 1.542 0.003 . 2 . . . A 9 ILE HG12 . 18411 1 87 . 1 1 9 9 ILE HG13 H 1 1.158 0.004 . 2 . . . A 9 ILE HG13 . 18411 1 88 . 1 1 9 9 ILE HG21 H 1 0.912 0.003 . 1 . . . A 9 ILE HG21 . 18411 1 89 . 1 1 9 9 ILE HG22 H 1 0.912 0.003 . 1 . . . A 9 ILE HG22 . 18411 1 90 . 1 1 9 9 ILE HG23 H 1 0.912 0.003 . 1 . . . A 9 ILE HG23 . 18411 1 91 . 1 1 9 9 ILE HD11 H 1 0.818 0.004 . 1 . . . A 9 ILE HD11 . 18411 1 92 . 1 1 9 9 ILE HD12 H 1 0.818 0.004 . 1 . . . A 9 ILE HD12 . 18411 1 93 . 1 1 9 9 ILE HD13 H 1 0.818 0.004 . 1 . . . A 9 ILE HD13 . 18411 1 94 . 1 1 9 9 ILE C C 13 177.771 0.009 . 1 . . . A 9 ILE C . 18411 1 95 . 1 1 9 9 ILE CA C 13 62.350 0.073 . 1 . . . A 9 ILE CA . 18411 1 96 . 1 1 9 9 ILE CB C 13 37.049 0.034 . 1 . . . A 9 ILE CB . 18411 1 97 . 1 1 9 9 ILE CG1 C 13 27.813 0.009 . 1 . . . A 9 ILE CG1 . 18411 1 98 . 1 1 9 9 ILE CG2 C 13 17.454 0.004 . 1 . . . A 9 ILE CG2 . 18411 1 99 . 1 1 9 9 ILE CD1 C 13 12.238 0.007 . 1 . . . A 9 ILE CD1 . 18411 1 100 . 1 1 9 9 ILE N N 15 118.377 0.042 . 1 . . . A 9 ILE N . 18411 1 101 . 1 1 10 10 GLY H H 1 9.149 0.002 . 1 . . . A 10 GLY H . 18411 1 102 . 1 1 10 10 GLY HA2 H 1 3.655 0.006 . 2 . . . A 10 GLY HA2 . 18411 1 103 . 1 1 10 10 GLY HA3 H 1 4.395 0.004 . 2 . . . A 10 GLY HA3 . 18411 1 104 . 1 1 10 10 GLY C C 13 174.235 0.003 . 1 . . . A 10 GLY C . 18411 1 105 . 1 1 10 10 GLY CA C 13 44.763 0.082 . 1 . . . A 10 GLY CA . 18411 1 106 . 1 1 10 10 GLY N N 15 115.204 0.018 . 1 . . . A 10 GLY N . 18411 1 107 . 1 1 11 11 GLU H H 1 7.631 0.001 . 1 . . . A 11 GLU H . 18411 1 108 . 1 1 11 11 GLU HA H 1 4.392 0.003 . 1 . . . A 11 GLU HA . 18411 1 109 . 1 1 11 11 GLU HB2 H 1 2.218 0.006 . 2 . . . A 11 GLU HB2 . 18411 1 110 . 1 1 11 11 GLU HB3 H 1 2.044 0.007 . 2 . . . A 11 GLU HB3 . 18411 1 111 . 1 1 11 11 GLU HG2 H 1 2.317 0.005 . 2 . . . A 11 GLU HG2 . 18411 1 112 . 1 1 11 11 GLU HG3 H 1 2.223 0.004 . 2 . . . A 11 GLU HG3 . 18411 1 113 . 1 1 11 11 GLU C C 13 176.729 0.035 . 1 . . . A 11 GLU C . 18411 1 114 . 1 1 11 11 GLU CA C 13 55.108 0.065 . 1 . . . A 11 GLU CA . 18411 1 115 . 1 1 11 11 GLU CB C 13 31.473 0.026 . 1 . . . A 11 GLU CB . 18411 1 116 . 1 1 11 11 GLU CG C 13 37.133 0.031 . 1 . . . A 11 GLU CG . 18411 1 117 . 1 1 11 11 GLU N N 15 119.157 0.012 . 1 . . . A 11 GLU N . 18411 1 118 . 1 1 12 12 MET H H 1 8.566 0.002 . 1 . . . A 12 MET H . 18411 1 119 . 1 1 12 12 MET HA H 1 4.593 0.005 . 1 . . . A 12 MET HA . 18411 1 120 . 1 1 12 12 MET HB2 H 1 1.950 0.007 . 2 . . . A 12 MET HB2 . 18411 1 121 . 1 1 12 12 MET HB3 H 1 1.890 0.005 . 2 . . . A 12 MET HB3 . 18411 1 122 . 1 1 12 12 MET HG2 H 1 2.683 0.004 . 2 . . . A 12 MET HG2 . 18411 1 123 . 1 1 12 12 MET HG3 H 1 2.552 0.004 . 2 . . . A 12 MET HG3 . 18411 1 124 . 1 1 12 12 MET HE1 H 1 2.130 0.004 . 1 . . . A 12 MET HE1 . 18411 1 125 . 1 1 12 12 MET HE2 H 1 2.130 0.004 . 1 . . . A 12 MET HE2 . 18411 1 126 . 1 1 12 12 MET HE3 H 1 2.130 0.004 . 1 . . . A 12 MET HE3 . 18411 1 127 . 1 1 12 12 MET C C 13 177.162 0.010 . 1 . . . A 12 MET C . 18411 1 128 . 1 1 12 12 MET CA C 13 54.475 0.077 . 1 . . . A 12 MET CA . 18411 1 129 . 1 1 12 12 MET CB C 13 30.749 0.047 . 1 . . . A 12 MET CB . 18411 1 130 . 1 1 12 12 MET CG C 13 31.947 0.009 . 1 . . . A 12 MET CG . 18411 1 131 . 1 1 12 12 MET CE C 13 16.379 0.003 . 1 . . . A 12 MET CE . 18411 1 132 . 1 1 12 12 MET N N 15 119.646 0.055 . 1 . . . A 12 MET N . 18411 1 133 . 1 1 13 13 ALA H H 1 8.626 0.003 . 1 . . . A 13 ALA H . 18411 1 134 . 1 1 13 13 ALA HA H 1 4.293 0.003 . 1 . . . A 13 ALA HA . 18411 1 135 . 1 1 13 13 ALA HB1 H 1 1.592 0.004 . 1 . . . A 13 ALA HB1 . 18411 1 136 . 1 1 13 13 ALA HB2 H 1 1.592 0.004 . 1 . . . A 13 ALA HB2 . 18411 1 137 . 1 1 13 13 ALA HB3 H 1 1.592 0.004 . 1 . . . A 13 ALA HB3 . 18411 1 138 . 1 1 13 13 ALA C C 13 175.992 0.050 . 1 . . . A 13 ALA C . 18411 1 139 . 1 1 13 13 ALA CA C 13 50.676 0.023 . 1 . . . A 13 ALA CA . 18411 1 140 . 1 1 13 13 ALA CB C 13 18.125 0.056 . 1 . . . A 13 ALA CB . 18411 1 141 . 1 1 13 13 ALA N N 15 129.735 0.032 . 1 . . . A 13 ALA N . 18411 1 142 . 1 1 14 14 PRO HA H 1 4.253 0.002 . 1 . . . A 14 PRO HA . 18411 1 143 . 1 1 14 14 PRO HB2 H 1 2.279 0.003 . 2 . . . A 14 PRO HB2 . 18411 1 144 . 1 1 14 14 PRO HB3 H 1 1.673 0.004 . 2 . . . A 14 PRO HB3 . 18411 1 145 . 1 1 14 14 PRO HG2 H 1 1.663 0.004 . 2 . . . A 14 PRO HG2 . 18411 1 146 . 1 1 14 14 PRO HG3 H 1 1.446 0.006 . 2 . . . A 14 PRO HG3 . 18411 1 147 . 1 1 14 14 PRO HD2 H 1 3.818 0.003 . 2 . . . A 14 PRO HD2 . 18411 1 148 . 1 1 14 14 PRO HD3 H 1 3.081 0.006 . 2 . . . A 14 PRO HD3 . 18411 1 149 . 1 1 14 14 PRO C C 13 176.066 0.050 . 1 . . . A 14 PRO C . 18411 1 150 . 1 1 14 14 PRO CA C 13 63.478 0.047 . 1 . . . A 14 PRO CA . 18411 1 151 . 1 1 14 14 PRO CB C 13 32.987 0.021 . 1 . . . A 14 PRO CB . 18411 1 152 . 1 1 14 14 PRO CG C 13 26.998 0.024 . 1 . . . A 14 PRO CG . 18411 1 153 . 1 1 14 14 PRO CD C 13 51.028 0.009 . 1 . . . A 14 PRO CD . 18411 1 154 . 1 1 15 15 ASP H H 1 8.373 0.003 . 1 . . . A 15 ASP H . 18411 1 155 . 1 1 15 15 ASP HA H 1 4.700 0.003 . 1 . . . A 15 ASP HA . 18411 1 156 . 1 1 15 15 ASP HB2 H 1 2.707 0.009 . 2 . . . A 15 ASP HB2 . 18411 1 157 . 1 1 15 15 ASP HB3 H 1 2.626 0.006 . 2 . . . A 15 ASP HB3 . 18411 1 158 . 1 1 15 15 ASP C C 13 176.067 0.009 . 1 . . . A 15 ASP C . 18411 1 159 . 1 1 15 15 ASP CA C 13 53.628 0.050 . 1 . . . A 15 ASP CA . 18411 1 160 . 1 1 15 15 ASP CB C 13 41.613 0.054 . 1 . . . A 15 ASP CB . 18411 1 161 . 1 1 15 15 ASP N N 15 123.075 0.015 . 1 . . . A 15 ASP N . 18411 1 162 . 1 1 16 16 PHE H H 1 7.950 0.002 . 1 . . . A 16 PHE H . 18411 1 163 . 1 1 16 16 PHE HA H 1 4.869 0.006 . 1 . . . A 16 PHE HA . 18411 1 164 . 1 1 16 16 PHE HB2 H 1 3.408 0.007 . 2 . . . A 16 PHE HB2 . 18411 1 165 . 1 1 16 16 PHE HB3 H 1 3.095 0.009 . 2 . . . A 16 PHE HB3 . 18411 1 166 . 1 1 16 16 PHE HD1 H 1 7.182 0.006 . 3 . . . A 16 PHE HD1 . 18411 1 167 . 1 1 16 16 PHE HD2 H 1 7.182 0.006 . 3 . . . A 16 PHE HD2 . 18411 1 168 . 1 1 16 16 PHE HE1 H 1 7.190 0.007 . 3 . . . A 16 PHE HE1 . 18411 1 169 . 1 1 16 16 PHE HE2 H 1 7.190 0.007 . 3 . . . A 16 PHE HE2 . 18411 1 170 . 1 1 16 16 PHE HZ H 1 6.956 0.004 . 1 . . . A 16 PHE HZ . 18411 1 171 . 1 1 16 16 PHE C C 13 173.028 0.050 . 1 . . . A 16 PHE C . 18411 1 172 . 1 1 16 16 PHE CA C 13 56.721 0.068 . 1 . . . A 16 PHE CA . 18411 1 173 . 1 1 16 16 PHE CB C 13 40.560 0.044 . 1 . . . A 16 PHE CB . 18411 1 174 . 1 1 16 16 PHE CD1 C 13 133.617 0.035 . 3 . . . A 16 PHE CD1 . 18411 1 175 . 1 1 16 16 PHE CD2 C 13 133.617 0.035 . 3 . . . A 16 PHE CD2 . 18411 1 176 . 1 1 16 16 PHE CE1 C 13 130.287 0.088 . 3 . . . A 16 PHE CE1 . 18411 1 177 . 1 1 16 16 PHE CE2 C 13 130.287 0.088 . 3 . . . A 16 PHE CE2 . 18411 1 178 . 1 1 16 16 PHE CZ C 13 129.412 0.057 . 1 . . . A 16 PHE CZ . 18411 1 179 . 1 1 16 16 PHE N N 15 114.256 0.021 . 1 . . . A 16 PHE N . 18411 1 180 . 1 1 17 17 THR H H 1 8.596 0.003 . 1 . . . A 17 THR H . 18411 1 181 . 1 1 17 17 THR HA H 1 5.244 0.005 . 1 . . . A 17 THR HA . 18411 1 182 . 1 1 17 17 THR HB H 1 3.894 0.005 . 1 . . . A 17 THR HB . 18411 1 183 . 1 1 17 17 THR HG21 H 1 1.124 0.005 . 1 . . . A 17 THR HG21 . 18411 1 184 . 1 1 17 17 THR HG22 H 1 1.124 0.005 . 1 . . . A 17 THR HG22 . 18411 1 185 . 1 1 17 17 THR HG23 H 1 1.124 0.005 . 1 . . . A 17 THR HG23 . 18411 1 186 . 1 1 17 17 THR C C 13 172.722 0.015 . 1 . . . A 17 THR C . 18411 1 187 . 1 1 17 17 THR CA C 13 62.061 0.078 . 1 . . . A 17 THR CA . 18411 1 188 . 1 1 17 17 THR CB C 13 70.882 0.041 . 1 . . . A 17 THR CB . 18411 1 189 . 1 1 17 17 THR CG2 C 13 21.297 0.016 . 1 . . . A 17 THR CG2 . 18411 1 190 . 1 1 17 17 THR N N 15 116.459 0.023 . 1 . . . A 17 THR N . 18411 1 191 . 1 1 18 18 ILE H H 1 9.574 0.002 . 1 . . . A 18 ILE H . 18411 1 192 . 1 1 18 18 ILE HA H 1 4.995 0.003 . 1 . . . A 18 ILE HA . 18411 1 193 . 1 1 18 18 ILE HB H 1 1.822 0.005 . 1 . . . A 18 ILE HB . 18411 1 194 . 1 1 18 18 ILE HG12 H 1 1.074 0.006 . 2 . . . A 18 ILE HG12 . 18411 1 195 . 1 1 18 18 ILE HG13 H 1 2.167 0.011 . 2 . . . A 18 ILE HG13 . 18411 1 196 . 1 1 18 18 ILE HG21 H 1 1.074 0.004 . 1 . . . A 18 ILE HG21 . 18411 1 197 . 1 1 18 18 ILE HG22 H 1 1.074 0.004 . 1 . . . A 18 ILE HG22 . 18411 1 198 . 1 1 18 18 ILE HG23 H 1 1.074 0.004 . 1 . . . A 18 ILE HG23 . 18411 1 199 . 1 1 18 18 ILE HD11 H 1 0.708 0.006 . 1 . . . A 18 ILE HD11 . 18411 1 200 . 1 1 18 18 ILE HD12 H 1 0.708 0.006 . 1 . . . A 18 ILE HD12 . 18411 1 201 . 1 1 18 18 ILE HD13 H 1 0.708 0.006 . 1 . . . A 18 ILE HD13 . 18411 1 202 . 1 1 18 18 ILE C C 13 172.309 0.015 . 1 . . . A 18 ILE C . 18411 1 203 . 1 1 18 18 ILE CA C 13 59.123 0.045 . 1 . . . A 18 ILE CA . 18411 1 204 . 1 1 18 18 ILE CB C 13 43.984 0.020 . 1 . . . A 18 ILE CB . 18411 1 205 . 1 1 18 18 ILE CG1 C 13 29.648 0.025 . 1 . . . A 18 ILE CG1 . 18411 1 206 . 1 1 18 18 ILE CG2 C 13 15.205 0.014 . 1 . . . A 18 ILE CG2 . 18411 1 207 . 1 1 18 18 ILE CD1 C 13 17.497 0.003 . 1 . . . A 18 ILE CD1 . 18411 1 208 . 1 1 18 18 ILE N N 15 128.165 0.012 . 1 . . . A 18 ILE N . 18411 1 209 . 1 1 19 19 THR H H 1 9.081 0.003 . 1 . . . A 19 THR H . 18411 1 210 . 1 1 19 19 THR HA H 1 4.821 0.005 . 1 . . . A 19 THR HA . 18411 1 211 . 1 1 19 19 THR HB H 1 4.162 0.003 . 1 . . . A 19 THR HB . 18411 1 212 . 1 1 19 19 THR HG21 H 1 1.347 0.003 . 1 . . . A 19 THR HG21 . 18411 1 213 . 1 1 19 19 THR HG22 H 1 1.347 0.003 . 1 . . . A 19 THR HG22 . 18411 1 214 . 1 1 19 19 THR HG23 H 1 1.347 0.003 . 1 . . . A 19 THR HG23 . 18411 1 215 . 1 1 19 19 THR C C 13 174.104 0.006 . 1 . . . A 19 THR C . 18411 1 216 . 1 1 19 19 THR CA C 13 62.316 0.075 . 1 . . . A 19 THR CA . 18411 1 217 . 1 1 19 19 THR CB C 13 69.287 0.037 . 1 . . . A 19 THR CB . 18411 1 218 . 1 1 19 19 THR CG2 C 13 21.514 0.011 . 1 . . . A 19 THR CG2 . 18411 1 219 . 1 1 19 19 THR N N 15 124.473 0.050 . 1 . . . A 19 THR N . 18411 1 220 . 1 1 20 20 LEU H H 1 9.227 0.002 . 1 . . . A 20 LEU H . 18411 1 221 . 1 1 20 20 LEU HA H 1 5.082 0.008 . 1 . . . A 20 LEU HA . 18411 1 222 . 1 1 20 20 LEU HB2 H 1 1.642 0.004 . 2 . . . A 20 LEU HB2 . 18411 1 223 . 1 1 20 20 LEU HB3 H 1 2.407 0.007 . 2 . . . A 20 LEU HB3 . 18411 1 224 . 1 1 20 20 LEU HG H 1 1.807 0.006 . 1 . . . A 20 LEU HG . 18411 1 225 . 1 1 20 20 LEU HD11 H 1 0.952 0.005 . 2 . . . A 20 LEU HD11 . 18411 1 226 . 1 1 20 20 LEU HD12 H 1 0.952 0.005 . 2 . . . A 20 LEU HD12 . 18411 1 227 . 1 1 20 20 LEU HD13 H 1 0.952 0.005 . 2 . . . A 20 LEU HD13 . 18411 1 228 . 1 1 20 20 LEU HD21 H 1 0.656 0.006 . 2 . . . A 20 LEU HD21 . 18411 1 229 . 1 1 20 20 LEU HD22 H 1 0.656 0.006 . 2 . . . A 20 LEU HD22 . 18411 1 230 . 1 1 20 20 LEU HD23 H 1 0.656 0.006 . 2 . . . A 20 LEU HD23 . 18411 1 231 . 1 1 20 20 LEU C C 13 181.023 0.020 . 1 . . . A 20 LEU C . 18411 1 232 . 1 1 20 20 LEU CA C 13 54.191 0.071 . 1 . . . A 20 LEU CA . 18411 1 233 . 1 1 20 20 LEU CB C 13 42.219 0.041 . 1 . . . A 20 LEU CB . 18411 1 234 . 1 1 20 20 LEU CG C 13 27.322 0.024 . 1 . . . A 20 LEU CG . 18411 1 235 . 1 1 20 20 LEU CD1 C 13 25.881 0.019 . 2 . . . A 20 LEU CD1 . 18411 1 236 . 1 1 20 20 LEU CD2 C 13 22.486 0.031 . 2 . . . A 20 LEU CD2 . 18411 1 237 . 1 1 20 20 LEU N N 15 125.167 0.016 . 1 . . . A 20 LEU N . 18411 1 238 . 1 1 21 21 THR H H 1 8.603 0.002 . 1 . . . A 21 THR H . 18411 1 239 . 1 1 21 21 THR HA H 1 3.831 0.005 . 1 . . . A 21 THR HA . 18411 1 240 . 1 1 21 21 THR HB H 1 4.335 0.004 . 1 . . . A 21 THR HB . 18411 1 241 . 1 1 21 21 THR HG21 H 1 1.152 0.005 . 1 . . . A 21 THR HG21 . 18411 1 242 . 1 1 21 21 THR HG22 H 1 1.152 0.005 . 1 . . . A 21 THR HG22 . 18411 1 243 . 1 1 21 21 THR HG23 H 1 1.152 0.005 . 1 . . . A 21 THR HG23 . 18411 1 244 . 1 1 21 21 THR C C 13 174.716 0.018 . 1 . . . A 21 THR C . 18411 1 245 . 1 1 21 21 THR CA C 13 64.992 0.091 . 1 . . . A 21 THR CA . 18411 1 246 . 1 1 21 21 THR CB C 13 68.529 0.063 . 1 . . . A 21 THR CB . 18411 1 247 . 1 1 21 21 THR CG2 C 13 22.154 0.014 . 1 . . . A 21 THR CG2 . 18411 1 248 . 1 1 21 21 THR N N 15 109.887 0.038 . 1 . . . A 21 THR N . 18411 1 249 . 1 1 22 22 ASP H H 1 7.530 0.001 . 1 . . . A 22 ASP H . 18411 1 250 . 1 1 22 22 ASP HA H 1 4.594 0.003 . 1 . . . A 22 ASP HA . 18411 1 251 . 1 1 22 22 ASP HB2 H 1 3.075 0.002 . 2 . . . A 22 ASP HB2 . 18411 1 252 . 1 1 22 22 ASP HB3 H 1 2.556 0.009 . 2 . . . A 22 ASP HB3 . 18411 1 253 . 1 1 22 22 ASP C C 13 177.771 0.042 . 1 . . . A 22 ASP C . 18411 1 254 . 1 1 22 22 ASP CA C 13 53.173 0.070 . 1 . . . A 22 ASP CA . 18411 1 255 . 1 1 22 22 ASP CB C 13 40.449 0.037 . 1 . . . A 22 ASP CB . 18411 1 256 . 1 1 22 22 ASP N N 15 117.311 0.012 . 1 . . . A 22 ASP N . 18411 1 257 . 1 1 23 23 GLY H H 1 8.203 0.002 . 1 . . . A 23 GLY H . 18411 1 258 . 1 1 23 23 GLY HA2 H 1 3.570 0.008 . 2 . . . A 23 GLY HA2 . 18411 1 259 . 1 1 23 23 GLY HA3 H 1 4.370 0.005 . 2 . . . A 23 GLY HA3 . 18411 1 260 . 1 1 23 23 GLY C C 13 174.806 0.026 . 1 . . . A 23 GLY C . 18411 1 261 . 1 1 23 23 GLY CA C 13 45.028 0.101 . 1 . . . A 23 GLY CA . 18411 1 262 . 1 1 23 23 GLY N N 15 108.847 0.025 . 1 . . . A 23 GLY N . 18411 1 263 . 1 1 24 24 LYS H H 1 7.881 0.002 . 1 . . . A 24 LYS H . 18411 1 264 . 1 1 24 24 LYS HA H 1 4.267 0.005 . 1 . . . A 24 LYS HA . 18411 1 265 . 1 1 24 24 LYS HB2 H 1 1.967 0.010 . 2 . . . A 24 LYS HB2 . 18411 1 266 . 1 1 24 24 LYS HB3 H 1 1.813 0.008 . 2 . . . A 24 LYS HB3 . 18411 1 267 . 1 1 24 24 LYS HG2 H 1 1.495 0.006 . 2 . . . A 24 LYS HG2 . 18411 1 268 . 1 1 24 24 LYS HG3 H 1 1.368 0.005 . 2 . . . A 24 LYS HG3 . 18411 1 269 . 1 1 24 24 LYS HD2 H 1 1.757 0.003 . 2 . . . A 24 LYS HD2 . 18411 1 270 . 1 1 24 24 LYS HD3 H 1 1.703 0.005 . 2 . . . A 24 LYS HD3 . 18411 1 271 . 1 1 24 24 LYS HE2 H 1 3.004 0.007 . 2 . . . A 24 LYS HE2 . 18411 1 272 . 1 1 24 24 LYS HE3 H 1 2.999 0.005 . 2 . . . A 24 LYS HE3 . 18411 1 273 . 1 1 24 24 LYS C C 13 175.350 0.005 . 1 . . . A 24 LYS C . 18411 1 274 . 1 1 24 24 LYS CA C 13 57.060 0.061 . 1 . . . A 24 LYS CA . 18411 1 275 . 1 1 24 24 LYS CB C 13 33.271 0.027 . 1 . . . A 24 LYS CB . 18411 1 276 . 1 1 24 24 LYS CG C 13 25.540 0.019 . 1 . . . A 24 LYS CG . 18411 1 277 . 1 1 24 24 LYS CD C 13 29.030 0.012 . 1 . . . A 24 LYS CD . 18411 1 278 . 1 1 24 24 LYS CE C 13 41.755 0.050 . 1 . . . A 24 LYS CE . 18411 1 279 . 1 1 24 24 LYS N N 15 122.092 0.014 . 1 . . . A 24 LYS N . 18411 1 280 . 1 1 25 25 GLN H H 1 8.365 0.002 . 1 . . . A 25 GLN H . 18411 1 281 . 1 1 25 25 GLN HA H 1 5.561 0.005 . 1 . . . A 25 GLN HA . 18411 1 282 . 1 1 25 25 GLN HB2 H 1 1.959 0.003 . 2 . . . A 25 GLN HB2 . 18411 1 283 . 1 1 25 25 GLN HB3 H 1 1.772 0.006 . 2 . . . A 25 GLN HB3 . 18411 1 284 . 1 1 25 25 GLN HG2 H 1 2.340 0.005 . 1 . . . A 25 GLN HG2 . 18411 1 285 . 1 1 25 25 GLN HG3 H 1 2.340 0.005 . 1 . . . A 25 GLN HG3 . 18411 1 286 . 1 1 25 25 GLN HE21 H 1 6.830 0.002 . 1 . . . A 25 GLN HE21 . 18411 1 287 . 1 1 25 25 GLN HE22 H 1 7.356 0.001 . 1 . . . A 25 GLN HE22 . 18411 1 288 . 1 1 25 25 GLN C C 13 176.631 0.010 . 1 . . . A 25 GLN C . 18411 1 289 . 1 1 25 25 GLN CA C 13 54.572 0.050 . 1 . . . A 25 GLN CA . 18411 1 290 . 1 1 25 25 GLN CB C 13 31.621 0.020 . 1 . . . A 25 GLN CB . 18411 1 291 . 1 1 25 25 GLN CG C 13 34.783 0.005 . 1 . . . A 25 GLN CG . 18411 1 292 . 1 1 25 25 GLN N N 15 119.585 0.016 . 1 . . . A 25 GLN N . 18411 1 293 . 1 1 25 25 GLN NE2 N 15 112.281 0.047 . 1 . . . A 25 GLN NE2 . 18411 1 294 . 1 1 26 26 VAL H H 1 9.069 0.002 . 1 . . . A 26 VAL H . 18411 1 295 . 1 1 26 26 VAL HA H 1 4.466 0.004 . 1 . . . A 26 VAL HA . 18411 1 296 . 1 1 26 26 VAL HB H 1 1.835 0.004 . 1 . . . A 26 VAL HB . 18411 1 297 . 1 1 26 26 VAL HG11 H 1 0.776 0.007 . 2 . . . A 26 VAL HG11 . 18411 1 298 . 1 1 26 26 VAL HG12 H 1 0.776 0.007 . 2 . . . A 26 VAL HG12 . 18411 1 299 . 1 1 26 26 VAL HG13 H 1 0.776 0.007 . 2 . . . A 26 VAL HG13 . 18411 1 300 . 1 1 26 26 VAL HG21 H 1 0.890 0.005 . 2 . . . A 26 VAL HG21 . 18411 1 301 . 1 1 26 26 VAL HG22 H 1 0.890 0.005 . 2 . . . A 26 VAL HG22 . 18411 1 302 . 1 1 26 26 VAL HG23 H 1 0.890 0.005 . 2 . . . A 26 VAL HG23 . 18411 1 303 . 1 1 26 26 VAL C C 13 174.390 0.012 . 1 . . . A 26 VAL C . 18411 1 304 . 1 1 26 26 VAL CA C 13 61.142 0.064 . 1 . . . A 26 VAL CA . 18411 1 305 . 1 1 26 26 VAL CB C 13 35.962 0.015 . 1 . . . A 26 VAL CB . 18411 1 306 . 1 1 26 26 VAL CG1 C 13 20.742 0.008 . 2 . . . A 26 VAL CG1 . 18411 1 307 . 1 1 26 26 VAL CG2 C 13 21.424 0.008 . 2 . . . A 26 VAL CG2 . 18411 1 308 . 1 1 26 26 VAL N N 15 123.115 0.017 . 1 . . . A 26 VAL N . 18411 1 309 . 1 1 27 27 THR H H 1 8.256 0.003 . 1 . . . A 27 THR H . 18411 1 310 . 1 1 27 27 THR HA H 1 5.437 0.005 . 1 . . . A 27 THR HA . 18411 1 311 . 1 1 27 27 THR HB H 1 3.958 0.004 . 1 . . . A 27 THR HB . 18411 1 312 . 1 1 27 27 THR HG21 H 1 1.293 0.005 . 1 . . . A 27 THR HG21 . 18411 1 313 . 1 1 27 27 THR HG22 H 1 1.293 0.005 . 1 . . . A 27 THR HG22 . 18411 1 314 . 1 1 27 27 THR HG23 H 1 1.293 0.005 . 1 . . . A 27 THR HG23 . 18411 1 315 . 1 1 27 27 THR C C 13 176.330 0.023 . 1 . . . A 27 THR C . 18411 1 316 . 1 1 27 27 THR CA C 13 60.068 0.065 . 1 . . . A 27 THR CA . 18411 1 317 . 1 1 27 27 THR CB C 13 70.655 0.039 . 1 . . . A 27 THR CB . 18411 1 318 . 1 1 27 27 THR CG2 C 13 22.096 0.013 . 1 . . . A 27 THR CG2 . 18411 1 319 . 1 1 27 27 THR N N 15 122.509 0.044 . 1 . . . A 27 THR N . 18411 1 320 . 1 1 28 28 LEU H H 1 8.311 0.003 . 1 . . . A 28 LEU H . 18411 1 321 . 1 1 28 28 LEU HA H 1 3.607 0.004 . 1 . . . A 28 LEU HA . 18411 1 322 . 1 1 28 28 LEU HB2 H 1 2.098 0.010 . 2 . . . A 28 LEU HB2 . 18411 1 323 . 1 1 28 28 LEU HB3 H 1 0.311 0.006 . 2 . . . A 28 LEU HB3 . 18411 1 324 . 1 1 28 28 LEU HG H 1 1.404 0.006 . 1 . . . A 28 LEU HG . 18411 1 325 . 1 1 28 28 LEU HD11 H 1 0.903 0.005 . 2 . . . A 28 LEU HD11 . 18411 1 326 . 1 1 28 28 LEU HD12 H 1 0.903 0.005 . 2 . . . A 28 LEU HD12 . 18411 1 327 . 1 1 28 28 LEU HD13 H 1 0.903 0.005 . 2 . . . A 28 LEU HD13 . 18411 1 328 . 1 1 28 28 LEU HD21 H 1 0.760 0.003 . 2 . . . A 28 LEU HD21 . 18411 1 329 . 1 1 28 28 LEU HD22 H 1 0.760 0.003 . 2 . . . A 28 LEU HD22 . 18411 1 330 . 1 1 28 28 LEU HD23 H 1 0.760 0.003 . 2 . . . A 28 LEU HD23 . 18411 1 331 . 1 1 28 28 LEU C C 13 180.093 0.019 . 1 . . . A 28 LEU C . 18411 1 332 . 1 1 28 28 LEU CA C 13 59.264 0.060 . 1 . . . A 28 LEU CA . 18411 1 333 . 1 1 28 28 LEU CB C 13 39.396 0.029 . 1 . . . A 28 LEU CB . 18411 1 334 . 1 1 28 28 LEU CG C 13 26.590 0.050 . 1 . . . A 28 LEU CG . 18411 1 335 . 1 1 28 28 LEU CD1 C 13 26.783 0.013 . 2 . . . A 28 LEU CD1 . 18411 1 336 . 1 1 28 28 LEU CD2 C 13 23.862 0.005 . 2 . . . A 28 LEU CD2 . 18411 1 337 . 1 1 28 28 LEU N N 15 131.816 0.026 . 1 . . . A 28 LEU N . 18411 1 338 . 1 1 29 29 SER H H 1 9.491 0.001 . 1 . . . A 29 SER H . 18411 1 339 . 1 1 29 29 SER HA H 1 4.003 0.004 . 1 . . . A 29 SER HA . 18411 1 340 . 1 1 29 29 SER HB2 H 1 3.805 0.006 . 2 . . . A 29 SER HB2 . 18411 1 341 . 1 1 29 29 SER HB3 H 1 3.713 0.010 . 2 . . . A 29 SER HB3 . 18411 1 342 . 1 1 29 29 SER C C 13 177.762 0.050 . 1 . . . A 29 SER C . 18411 1 343 . 1 1 29 29 SER CA C 13 60.896 0.096 . 1 . . . A 29 SER CA . 18411 1 344 . 1 1 29 29 SER CB C 13 61.091 0.032 . 1 . . . A 29 SER CB . 18411 1 345 . 1 1 29 29 SER N N 15 114.727 0.027 . 1 . . . A 29 SER N . 18411 1 346 . 1 1 30 30 SER H H 1 7.878 0.002 . 1 . . . A 30 SER H . 18411 1 347 . 1 1 30 30 SER HA H 1 4.476 0.003 . 1 . . . A 30 SER HA . 18411 1 348 . 1 1 30 30 SER HB2 H 1 4.133 0.005 . 2 . . . A 30 SER HB2 . 18411 1 349 . 1 1 30 30 SER HB3 H 1 4.001 0.005 . 2 . . . A 30 SER HB3 . 18411 1 350 . 1 1 30 30 SER C C 13 175.104 0.050 . 1 . . . A 30 SER C . 18411 1 351 . 1 1 30 30 SER CA C 13 60.661 0.087 . 1 . . . A 30 SER CA . 18411 1 352 . 1 1 30 30 SER CB C 13 63.174 0.044 . 1 . . . A 30 SER CB . 18411 1 353 . 1 1 30 30 SER N N 15 119.100 0.019 . 1 . . . A 30 SER N . 18411 1 354 . 1 1 31 31 LEU H H 1 8.026 0.002 . 1 . . . A 31 LEU H . 18411 1 355 . 1 1 31 31 LEU HA H 1 4.258 0.004 . 1 . . . A 31 LEU HA . 18411 1 356 . 1 1 31 31 LEU HB2 H 1 1.810 0.008 . 2 . . . A 31 LEU HB2 . 18411 1 357 . 1 1 31 31 LEU HB3 H 1 1.452 0.012 . 2 . . . A 31 LEU HB3 . 18411 1 358 . 1 1 31 31 LEU HG H 1 1.609 0.005 . 1 . . . A 31 LEU HG . 18411 1 359 . 1 1 31 31 LEU HD11 H 1 0.653 0.009 . 2 . . . A 31 LEU HD11 . 18411 1 360 . 1 1 31 31 LEU HD12 H 1 0.653 0.009 . 2 . . . A 31 LEU HD12 . 18411 1 361 . 1 1 31 31 LEU HD13 H 1 0.653 0.009 . 2 . . . A 31 LEU HD13 . 18411 1 362 . 1 1 31 31 LEU HD21 H 1 0.640 0.004 . 2 . . . A 31 LEU HD21 . 18411 1 363 . 1 1 31 31 LEU HD22 H 1 0.640 0.004 . 2 . . . A 31 LEU HD22 . 18411 1 364 . 1 1 31 31 LEU HD23 H 1 0.640 0.004 . 2 . . . A 31 LEU HD23 . 18411 1 365 . 1 1 31 31 LEU C C 13 175.710 0.050 . 1 . . . A 31 LEU C . 18411 1 366 . 1 1 31 31 LEU CA C 13 53.804 0.065 . 1 . . . A 31 LEU CA . 18411 1 367 . 1 1 31 31 LEU CB C 13 41.285 0.076 . 1 . . . A 31 LEU CB . 18411 1 368 . 1 1 31 31 LEU CG C 13 26.326 0.009 . 1 . . . A 31 LEU CG . 18411 1 369 . 1 1 31 31 LEU CD1 C 13 25.623 0.016 . 2 . . . A 31 LEU CD1 . 18411 1 370 . 1 1 31 31 LEU CD2 C 13 22.053 0.016 . 2 . . . A 31 LEU CD2 . 18411 1 371 . 1 1 31 31 LEU N N 15 121.415 0.014 . 1 . . . A 31 LEU N . 18411 1 372 . 1 1 32 32 ARG H H 1 6.788 0.002 . 1 . . . A 32 ARG H . 18411 1 373 . 1 1 32 32 ARG HA H 1 4.411 0.004 . 1 . . . A 32 ARG HA . 18411 1 374 . 1 1 32 32 ARG HB2 H 1 1.805 0.006 . 1 . . . A 32 ARG HB2 . 18411 1 375 . 1 1 32 32 ARG HB3 H 1 1.805 0.006 . 1 . . . A 32 ARG HB3 . 18411 1 376 . 1 1 32 32 ARG HG2 H 1 1.738 0.007 . 1 . . . A 32 ARG HG2 . 18411 1 377 . 1 1 32 32 ARG HG3 H 1 1.738 0.007 . 1 . . . A 32 ARG HG3 . 18411 1 378 . 1 1 32 32 ARG HD2 H 1 3.131 0.007 . 2 . . . A 32 ARG HD2 . 18411 1 379 . 1 1 32 32 ARG HD3 H 1 3.097 0.008 . 2 . . . A 32 ARG HD3 . 18411 1 380 . 1 1 32 32 ARG C C 13 177.585 0.005 . 1 . . . A 32 ARG C . 18411 1 381 . 1 1 32 32 ARG CA C 13 57.590 0.099 . 1 . . . A 32 ARG CA . 18411 1 382 . 1 1 32 32 ARG CB C 13 29.497 0.034 . 1 . . . A 32 ARG CB . 18411 1 383 . 1 1 32 32 ARG CG C 13 27.825 0.011 . 1 . . . A 32 ARG CG . 18411 1 384 . 1 1 32 32 ARG CD C 13 42.824 0.017 . 1 . . . A 32 ARG CD . 18411 1 385 . 1 1 32 32 ARG N N 15 119.061 0.030 . 1 . . . A 32 ARG N . 18411 1 386 . 1 1 33 33 GLY H H 1 9.120 0.002 . 1 . . . A 33 GLY H . 18411 1 387 . 1 1 33 33 GLY HA2 H 1 3.584 0.006 . 2 . . . A 33 GLY HA2 . 18411 1 388 . 1 1 33 33 GLY HA3 H 1 4.574 0.007 . 2 . . . A 33 GLY HA3 . 18411 1 389 . 1 1 33 33 GLY C C 13 173.456 0.009 . 1 . . . A 33 GLY C . 18411 1 390 . 1 1 33 33 GLY CA C 13 44.684 0.068 . 1 . . . A 33 GLY CA . 18411 1 391 . 1 1 33 33 GLY N N 15 114.033 0.028 . 1 . . . A 33 GLY N . 18411 1 392 . 1 1 34 34 LYS H H 1 8.146 0.004 . 1 . . . A 34 LYS H . 18411 1 393 . 1 1 34 34 LYS HA H 1 4.606 0.006 . 1 . . . A 34 LYS HA . 18411 1 394 . 1 1 34 34 LYS HB2 H 1 1.349 0.004 . 2 . . . A 34 LYS HB2 . 18411 1 395 . 1 1 34 34 LYS HB3 H 1 1.757 0.009 . 2 . . . A 34 LYS HB3 . 18411 1 396 . 1 1 34 34 LYS HG2 H 1 1.399 0.006 . 2 . . . A 34 LYS HG2 . 18411 1 397 . 1 1 34 34 LYS HG3 H 1 1.204 0.008 . 2 . . . A 34 LYS HG3 . 18411 1 398 . 1 1 34 34 LYS HD2 H 1 1.496 0.003 . 2 . . . A 34 LYS HD2 . 18411 1 399 . 1 1 34 34 LYS HD3 H 1 1.402 0.004 . 2 . . . A 34 LYS HD3 . 18411 1 400 . 1 1 34 34 LYS HE2 H 1 3.107 0.004 . 2 . . . A 34 LYS HE2 . 18411 1 401 . 1 1 34 34 LYS HE3 H 1 3.030 0.004 . 2 . . . A 34 LYS HE3 . 18411 1 402 . 1 1 34 34 LYS C C 13 175.350 0.003 . 1 . . . A 34 LYS C . 18411 1 403 . 1 1 34 34 LYS CA C 13 54.786 0.075 . 1 . . . A 34 LYS CA . 18411 1 404 . 1 1 34 34 LYS CB C 13 34.125 0.063 . 1 . . . A 34 LYS CB . 18411 1 405 . 1 1 34 34 LYS CG C 13 25.832 0.013 . 1 . . . A 34 LYS CG . 18411 1 406 . 1 1 34 34 LYS CD C 13 30.159 0.016 . 1 . . . A 34 LYS CD . 18411 1 407 . 1 1 34 34 LYS CE C 13 42.334 0.050 . 1 . . . A 34 LYS CE . 18411 1 408 . 1 1 34 34 LYS N N 15 120.270 0.015 . 1 . . . A 34 LYS N . 18411 1 409 . 1 1 35 35 VAL H H 1 8.757 0.004 . 1 . . . A 35 VAL H . 18411 1 410 . 1 1 35 35 VAL HA H 1 4.020 0.006 . 1 . . . A 35 VAL HA . 18411 1 411 . 1 1 35 35 VAL HB H 1 2.264 0.008 . 1 . . . A 35 VAL HB . 18411 1 412 . 1 1 35 35 VAL HG11 H 1 1.064 0.006 . 2 . . . A 35 VAL HG11 . 18411 1 413 . 1 1 35 35 VAL HG12 H 1 1.064 0.006 . 2 . . . A 35 VAL HG12 . 18411 1 414 . 1 1 35 35 VAL HG13 H 1 1.064 0.006 . 2 . . . A 35 VAL HG13 . 18411 1 415 . 1 1 35 35 VAL HG21 H 1 1.037 0.004 . 2 . . . A 35 VAL HG21 . 18411 1 416 . 1 1 35 35 VAL HG22 H 1 1.037 0.004 . 2 . . . A 35 VAL HG22 . 18411 1 417 . 1 1 35 35 VAL HG23 H 1 1.037 0.004 . 2 . . . A 35 VAL HG23 . 18411 1 418 . 1 1 35 35 VAL C C 13 174.699 0.006 . 1 . . . A 35 VAL C . 18411 1 419 . 1 1 35 35 VAL CA C 13 63.108 0.059 . 1 . . . A 35 VAL CA . 18411 1 420 . 1 1 35 35 VAL CB C 13 33.022 0.039 . 1 . . . A 35 VAL CB . 18411 1 421 . 1 1 35 35 VAL CG1 C 13 21.156 0.024 . 2 . . . A 35 VAL CG1 . 18411 1 422 . 1 1 35 35 VAL CG2 C 13 23.307 0.021 . 2 . . . A 35 VAL CG2 . 18411 1 423 . 1 1 35 35 VAL N N 15 122.059 0.020 . 1 . . . A 35 VAL N . 18411 1 424 . 1 1 36 36 VAL H H 1 8.485 0.002 . 1 . . . A 36 VAL H . 18411 1 425 . 1 1 36 36 VAL HA H 1 4.856 0.006 . 1 . . . A 36 VAL HA . 18411 1 426 . 1 1 36 36 VAL HB H 1 1.682 0.006 . 1 . . . A 36 VAL HB . 18411 1 427 . 1 1 36 36 VAL HG11 H 1 0.669 0.007 . 2 . . . A 36 VAL HG11 . 18411 1 428 . 1 1 36 36 VAL HG12 H 1 0.669 0.007 . 2 . . . A 36 VAL HG12 . 18411 1 429 . 1 1 36 36 VAL HG13 H 1 0.669 0.007 . 2 . . . A 36 VAL HG13 . 18411 1 430 . 1 1 36 36 VAL HG21 H 1 0.516 0.004 . 2 . . . A 36 VAL HG21 . 18411 1 431 . 1 1 36 36 VAL HG22 H 1 0.516 0.004 . 2 . . . A 36 VAL HG22 . 18411 1 432 . 1 1 36 36 VAL HG23 H 1 0.516 0.004 . 2 . . . A 36 VAL HG23 . 18411 1 433 . 1 1 36 36 VAL C C 13 174.622 0.024 . 1 . . . A 36 VAL C . 18411 1 434 . 1 1 36 36 VAL CA C 13 60.078 0.042 . 1 . . . A 36 VAL CA . 18411 1 435 . 1 1 36 36 VAL CB C 13 35.605 0.043 . 1 . . . A 36 VAL CB . 18411 1 436 . 1 1 36 36 VAL CG1 C 13 22.234 0.023 . 2 . . . A 36 VAL CG1 . 18411 1 437 . 1 1 36 36 VAL CG2 C 13 21.012 0.010 . 2 . . . A 36 VAL CG2 . 18411 1 438 . 1 1 36 36 VAL N N 15 125.815 0.018 . 1 . . . A 36 VAL N . 18411 1 439 . 1 1 37 37 MET H H 1 8.694 0.003 . 1 . . . A 37 MET H . 18411 1 440 . 1 1 37 37 MET HA H 1 5.383 0.007 . 1 . . . A 37 MET HA . 18411 1 441 . 1 1 37 37 MET HB2 H 1 2.036 0.008 . 2 . . . A 37 MET HB2 . 18411 1 442 . 1 1 37 37 MET HB3 H 1 1.587 0.007 . 2 . . . A 37 MET HB3 . 18411 1 443 . 1 1 37 37 MET HG2 H 1 2.579 0.006 . 2 . . . A 37 MET HG2 . 18411 1 444 . 1 1 37 37 MET HG3 H 1 1.733 0.011 . 2 . . . A 37 MET HG3 . 18411 1 445 . 1 1 37 37 MET HE1 H 1 1.774 0.004 . 1 . . . A 37 MET HE1 . 18411 1 446 . 1 1 37 37 MET HE2 H 1 1.774 0.004 . 1 . . . A 37 MET HE2 . 18411 1 447 . 1 1 37 37 MET HE3 H 1 1.774 0.004 . 1 . . . A 37 MET HE3 . 18411 1 448 . 1 1 37 37 MET C C 13 173.473 0.009 . 1 . . . A 37 MET C . 18411 1 449 . 1 1 37 37 MET CA C 13 53.661 0.046 . 1 . . . A 37 MET CA . 18411 1 450 . 1 1 37 37 MET CB C 13 35.948 0.025 . 1 . . . A 37 MET CB . 18411 1 451 . 1 1 37 37 MET CG C 13 33.713 0.018 . 1 . . . A 37 MET CG . 18411 1 452 . 1 1 37 37 MET CE C 13 18.984 0.003 . 1 . . . A 37 MET CE . 18411 1 453 . 1 1 37 37 MET N N 15 126.478 0.016 . 1 . . . A 37 MET N . 18411 1 454 . 1 1 38 38 LEU H H 1 9.181 0.002 . 1 . . . A 38 LEU H . 18411 1 455 . 1 1 38 38 LEU HA H 1 5.100 0.008 . 1 . . . A 38 LEU HA . 18411 1 456 . 1 1 38 38 LEU HB2 H 1 1.523 0.012 . 2 . . . A 38 LEU HB2 . 18411 1 457 . 1 1 38 38 LEU HB3 H 1 0.663 0.008 . 2 . . . A 38 LEU HB3 . 18411 1 458 . 1 1 38 38 LEU HG H 1 1.513 0.005 . 1 . . . A 38 LEU HG . 18411 1 459 . 1 1 38 38 LEU HD11 H 1 0.662 0.007 . 2 . . . A 38 LEU HD11 . 18411 1 460 . 1 1 38 38 LEU HD12 H 1 0.662 0.007 . 2 . . . A 38 LEU HD12 . 18411 1 461 . 1 1 38 38 LEU HD13 H 1 0.662 0.007 . 2 . . . A 38 LEU HD13 . 18411 1 462 . 1 1 38 38 LEU HD21 H 1 0.704 0.006 . 2 . . . A 38 LEU HD21 . 18411 1 463 . 1 1 38 38 LEU HD22 H 1 0.704 0.006 . 2 . . . A 38 LEU HD22 . 18411 1 464 . 1 1 38 38 LEU HD23 H 1 0.704 0.006 . 2 . . . A 38 LEU HD23 . 18411 1 465 . 1 1 38 38 LEU C C 13 175.828 0.033 . 1 . . . A 38 LEU C . 18411 1 466 . 1 1 38 38 LEU CA C 13 52.144 0.049 . 1 . . . A 38 LEU CA . 18411 1 467 . 1 1 38 38 LEU CB C 13 42.898 0.031 . 1 . . . A 38 LEU CB . 18411 1 468 . 1 1 38 38 LEU CG C 13 26.591 0.050 . 1 . . . A 38 LEU CG . 18411 1 469 . 1 1 38 38 LEU CD1 C 13 25.629 0.016 . 2 . . . A 38 LEU CD1 . 18411 1 470 . 1 1 38 38 LEU CD2 C 13 22.857 0.019 . 2 . . . A 38 LEU CD2 . 18411 1 471 . 1 1 38 38 LEU N N 15 124.275 0.017 . 1 . . . A 38 LEU N . 18411 1 472 . 1 1 39 39 GLN H H 1 8.325 0.004 . 1 . . . A 39 GLN H . 18411 1 473 . 1 1 39 39 GLN HA H 1 5.369 0.006 . 1 . . . A 39 GLN HA . 18411 1 474 . 1 1 39 39 GLN HB2 H 1 2.293 0.007 . 2 . . . A 39 GLN HB2 . 18411 1 475 . 1 1 39 39 GLN HB3 H 1 1.282 0.009 . 2 . . . A 39 GLN HB3 . 18411 1 476 . 1 1 39 39 GLN HG2 H 1 1.892 0.006 . 2 . . . A 39 GLN HG2 . 18411 1 477 . 1 1 39 39 GLN HG3 H 1 2.671 0.007 . 2 . . . A 39 GLN HG3 . 18411 1 478 . 1 1 39 39 GLN HE21 H 1 7.726 0.007 . 1 . . . A 39 GLN HE21 . 18411 1 479 . 1 1 39 39 GLN HE22 H 1 5.626 0.005 . 1 . . . A 39 GLN HE22 . 18411 1 480 . 1 1 39 39 GLN C C 13 175.696 0.004 . 1 . . . A 39 GLN C . 18411 1 481 . 1 1 39 39 GLN CA C 13 54.025 0.060 . 1 . . . A 39 GLN CA . 18411 1 482 . 1 1 39 39 GLN CB C 13 28.735 0.055 . 1 . . . A 39 GLN CB . 18411 1 483 . 1 1 39 39 GLN CG C 13 31.942 0.039 . 1 . . . A 39 GLN CG . 18411 1 484 . 1 1 39 39 GLN N N 15 124.390 0.031 . 1 . . . A 39 GLN N . 18411 1 485 . 1 1 39 39 GLN NE2 N 15 104.556 0.049 . 1 . . . A 39 GLN NE2 . 18411 1 486 . 1 1 40 40 PHE H H 1 8.899 0.004 . 1 . . . A 40 PHE H . 18411 1 487 . 1 1 40 40 PHE HA H 1 5.182 0.005 . 1 . . . A 40 PHE HA . 18411 1 488 . 1 1 40 40 PHE HB2 H 1 3.268 0.012 . 2 . . . A 40 PHE HB2 . 18411 1 489 . 1 1 40 40 PHE HB3 H 1 3.565 0.006 . 2 . . . A 40 PHE HB3 . 18411 1 490 . 1 1 40 40 PHE HD1 H 1 7.498 0.004 . 3 . . . A 40 PHE HD1 . 18411 1 491 . 1 1 40 40 PHE HD2 H 1 7.498 0.004 . 3 . . . A 40 PHE HD2 . 18411 1 492 . 1 1 40 40 PHE HE1 H 1 6.719 0.004 . 3 . . . A 40 PHE HE1 . 18411 1 493 . 1 1 40 40 PHE HE2 H 1 6.719 0.004 . 3 . . . A 40 PHE HE2 . 18411 1 494 . 1 1 40 40 PHE HZ H 1 6.132 0.003 . 1 . . . A 40 PHE HZ . 18411 1 495 . 1 1 40 40 PHE C C 13 175.432 0.079 . 1 . . . A 40 PHE C . 18411 1 496 . 1 1 40 40 PHE CA C 13 59.370 0.051 . 1 . . . A 40 PHE CA . 18411 1 497 . 1 1 40 40 PHE CB C 13 39.256 0.035 . 1 . . . A 40 PHE CB . 18411 1 498 . 1 1 40 40 PHE CD1 C 13 132.700 0.056 . 3 . . . A 40 PHE CD1 . 18411 1 499 . 1 1 40 40 PHE CD2 C 13 132.700 0.056 . 3 . . . A 40 PHE CD2 . 18411 1 500 . 1 1 40 40 PHE CE1 C 13 130.132 0.054 . 3 . . . A 40 PHE CE1 . 18411 1 501 . 1 1 40 40 PHE CE2 C 13 130.132 0.054 . 3 . . . A 40 PHE CE2 . 18411 1 502 . 1 1 40 40 PHE CZ C 13 129.428 0.091 . 1 . . . A 40 PHE CZ . 18411 1 503 . 1 1 40 40 PHE N N 15 128.800 0.019 . 1 . . . A 40 PHE N . 18411 1 504 . 1 1 41 41 THR H H 1 8.589 0.003 . 1 . . . A 41 THR H . 18411 1 505 . 1 1 41 41 THR HA H 1 5.274 0.005 . 1 . . . A 41 THR HA . 18411 1 506 . 1 1 41 41 THR HB H 1 3.845 0.004 . 1 . . . A 41 THR HB . 18411 1 507 . 1 1 41 41 THR HG21 H 1 0.840 0.004 . 1 . . . A 41 THR HG21 . 18411 1 508 . 1 1 41 41 THR HG22 H 1 0.840 0.004 . 1 . . . A 41 THR HG22 . 18411 1 509 . 1 1 41 41 THR HG23 H 1 0.840 0.004 . 1 . . . A 41 THR HG23 . 18411 1 510 . 1 1 41 41 THR C C 13 170.795 0.030 . 1 . . . A 41 THR C . 18411 1 511 . 1 1 41 41 THR CA C 13 59.448 0.043 . 1 . . . A 41 THR CA . 18411 1 512 . 1 1 41 41 THR CB C 13 70.892 0.035 . 1 . . . A 41 THR CB . 18411 1 513 . 1 1 41 41 THR CG2 C 13 18.042 0.030 . 1 . . . A 41 THR CG2 . 18411 1 514 . 1 1 41 41 THR N N 15 117.616 0.039 . 1 . . . A 41 THR N . 18411 1 515 . 1 1 42 42 ALA H H 1 7.201 0.004 . 1 . . . A 42 ALA H . 18411 1 516 . 1 1 42 42 ALA HA H 1 4.162 0.006 . 1 . . . A 42 ALA HA . 18411 1 517 . 1 1 42 42 ALA HB1 H 1 0.386 0.008 . 1 . . . A 42 ALA HB1 . 18411 1 518 . 1 1 42 42 ALA HB2 H 1 0.386 0.008 . 1 . . . A 42 ALA HB2 . 18411 1 519 . 1 1 42 42 ALA HB3 H 1 0.386 0.008 . 1 . . . A 42 ALA HB3 . 18411 1 520 . 1 1 42 42 ALA C C 13 177.618 0.011 . 1 . . . A 42 ALA C . 18411 1 521 . 1 1 42 42 ALA CA C 13 52.454 0.087 . 1 . . . A 42 ALA CA . 18411 1 522 . 1 1 42 42 ALA CB C 13 20.704 0.011 . 1 . . . A 42 ALA CB . 18411 1 523 . 1 1 42 42 ALA N N 15 122.005 0.018 . 1 . . . A 42 ALA N . 18411 1 524 . 1 1 43 43 SER H H 1 9.472 0.001 . 1 . . . A 43 SER H . 18411 1 525 . 1 1 43 43 SER HA H 1 1.542 0.002 . 1 . . . A 43 SER HA . 18411 1 526 . 1 1 43 43 SER HB2 H 1 3.180 0.006 . 2 . . . A 43 SER HB2 . 18411 1 527 . 1 1 43 43 SER HB3 H 1 3.050 0.009 . 2 . . . A 43 SER HB3 . 18411 1 528 . 1 1 43 43 SER C C 13 174.845 0.050 . 1 . . . A 43 SER C . 18411 1 529 . 1 1 43 43 SER CA C 13 60.202 0.054 . 1 . . . A 43 SER CA . 18411 1 530 . 1 1 43 43 SER CB C 13 63.040 0.036 . 1 . . . A 43 SER CB . 18411 1 531 . 1 1 43 43 SER N N 15 117.426 0.012 . 1 . . . A 43 SER N . 18411 1 532 . 1 1 44 44 TRP H H 1 6.345 0.002 . 1 . . . A 44 TRP H . 18411 1 533 . 1 1 44 44 TRP HA H 1 4.495 0.003 . 1 . . . A 44 TRP HA . 18411 1 534 . 1 1 44 44 TRP HB2 H 1 3.626 0.004 . 2 . . . A 44 TRP HB2 . 18411 1 535 . 1 1 44 44 TRP HB3 H 1 3.015 0.004 . 2 . . . A 44 TRP HB3 . 18411 1 536 . 1 1 44 44 TRP HD1 H 1 7.192 0.005 . 1 . . . A 44 TRP HD1 . 18411 1 537 . 1 1 44 44 TRP HE1 H 1 10.753 0.001 . 1 . . . A 44 TRP HE1 . 18411 1 538 . 1 1 44 44 TRP HE3 H 1 7.300 0.006 . 1 . . . A 44 TRP HE3 . 18411 1 539 . 1 1 44 44 TRP HZ2 H 1 7.249 0.007 . 1 . . . A 44 TRP HZ2 . 18411 1 540 . 1 1 44 44 TRP HZ3 H 1 7.185 0.007 . 1 . . . A 44 TRP HZ3 . 18411 1 541 . 1 1 44 44 TRP HH2 H 1 7.186 0.004 . 1 . . . A 44 TRP HH2 . 18411 1 542 . 1 1 44 44 TRP C C 13 176.297 0.003 . 1 . . . A 44 TRP C . 18411 1 543 . 1 1 44 44 TRP CA C 13 53.405 0.070 . 1 . . . A 44 TRP CA . 18411 1 544 . 1 1 44 44 TRP CB C 13 29.450 0.045 . 1 . . . A 44 TRP CB . 18411 1 545 . 1 1 44 44 TRP CD1 C 13 128.594 0.036 . 1 . . . A 44 TRP CD1 . 18411 1 546 . 1 1 44 44 TRP CE3 C 13 121.742 0.129 . 1 . . . A 44 TRP CE3 . 18411 1 547 . 1 1 44 44 TRP CZ2 C 13 114.254 0.045 . 1 . . . A 44 TRP CZ2 . 18411 1 548 . 1 1 44 44 TRP CZ3 C 13 122.029 0.081 . 1 . . . A 44 TRP CZ3 . 18411 1 549 . 1 1 44 44 TRP CH2 C 13 125.380 0.098 . 1 . . . A 44 TRP CH2 . 18411 1 550 . 1 1 44 44 TRP N N 15 116.512 0.014 . 1 . . . A 44 TRP N . 18411 1 551 . 1 1 44 44 TRP NE1 N 15 132.273 0.030 . 1 . . . A 44 TRP NE1 . 18411 1 552 . 1 1 45 45 CYS H H 1 6.982 0.002 . 1 . . . A 45 CYS H . 18411 1 553 . 1 1 45 45 CYS HA H 1 4.501 0.003 . 1 . . . A 45 CYS HA . 18411 1 554 . 1 1 45 45 CYS HB2 H 1 2.816 0.021 . 2 . . . A 45 CYS HB2 . 18411 1 555 . 1 1 45 45 CYS HB3 H 1 1.895 0.005 . 2 . . . A 45 CYS HB3 . 18411 1 556 . 1 1 45 45 CYS C C 13 176.409 0.050 . 1 . . . A 45 CYS C . 18411 1 557 . 1 1 45 45 CYS CA C 13 58.904 0.063 . 1 . . . A 45 CYS CA . 18411 1 558 . 1 1 45 45 CYS CB C 13 28.203 0.038 . 1 . . . A 45 CYS CB . 18411 1 559 . 1 1 45 45 CYS N N 15 125.015 0.016 . 1 . . . A 45 CYS N . 18411 1 560 . 1 1 46 46 GLY HA2 H 1 4.073 0.010 . 2 . . . A 46 GLY HA2 . 18411 1 561 . 1 1 46 46 GLY HA3 H 1 3.886 0.006 . 2 . . . A 46 GLY HA3 . 18411 1 562 . 1 1 46 46 GLY CA C 13 47.225 0.012 . 1 . . . A 46 GLY CA . 18411 1 563 . 1 1 47 47 VAL HA H 1 3.804 0.002 . 1 . . . A 47 VAL HA . 18411 1 564 . 1 1 47 47 VAL HB H 1 2.277 0.005 . 1 . . . A 47 VAL HB . 18411 1 565 . 1 1 47 47 VAL HG11 H 1 1.127 0.005 . 2 . . . A 47 VAL HG11 . 18411 1 566 . 1 1 47 47 VAL HG12 H 1 1.127 0.005 . 2 . . . A 47 VAL HG12 . 18411 1 567 . 1 1 47 47 VAL HG13 H 1 1.127 0.005 . 2 . . . A 47 VAL HG13 . 18411 1 568 . 1 1 47 47 VAL HG21 H 1 1.124 0.004 . 2 . . . A 47 VAL HG21 . 18411 1 569 . 1 1 47 47 VAL HG22 H 1 1.124 0.004 . 2 . . . A 47 VAL HG22 . 18411 1 570 . 1 1 47 47 VAL HG23 H 1 1.124 0.004 . 2 . . . A 47 VAL HG23 . 18411 1 571 . 1 1 47 47 VAL CA C 13 66.661 0.012 . 1 . . . A 47 VAL CA . 18411 1 572 . 1 1 47 47 VAL CB C 13 31.506 0.023 . 1 . . . A 47 VAL CB . 18411 1 573 . 1 1 47 47 VAL CG1 C 13 21.989 0.022 . 2 . . . A 47 VAL CG1 . 18411 1 574 . 1 1 47 47 VAL CG2 C 13 23.758 0.021 . 2 . . . A 47 VAL CG2 . 18411 1 575 . 1 1 48 48 CYS HA H 1 3.875 0.009 . 1 . . . A 48 CYS HA . 18411 1 576 . 1 1 48 48 CYS HB2 H 1 3.182 0.013 . 2 . . . A 48 CYS HB2 . 18411 1 577 . 1 1 48 48 CYS HB3 H 1 3.079 0.011 . 2 . . . A 48 CYS HB3 . 18411 1 578 . 1 1 48 48 CYS C C 13 177.961 0.050 . 1 . . . A 48 CYS C . 18411 1 579 . 1 1 48 48 CYS CA C 13 65.053 0.032 . 1 . . . A 48 CYS CA . 18411 1 580 . 1 1 48 48 CYS CB C 13 28.741 0.037 . 1 . . . A 48 CYS CB . 18411 1 581 . 1 1 49 49 ARG H H 1 7.658 0.003 . 1 . . . A 49 ARG H . 18411 1 582 . 1 1 49 49 ARG HA H 1 3.898 0.003 . 1 . . . A 49 ARG HA . 18411 1 583 . 1 1 49 49 ARG HB2 H 1 1.969 0.004 . 2 . . . A 49 ARG HB2 . 18411 1 584 . 1 1 49 49 ARG HB3 H 1 1.901 0.008 . 2 . . . A 49 ARG HB3 . 18411 1 585 . 1 1 49 49 ARG HG2 H 1 1.797 0.012 . 2 . . . A 49 ARG HG2 . 18411 1 586 . 1 1 49 49 ARG HG3 H 1 1.604 0.008 . 2 . . . A 49 ARG HG3 . 18411 1 587 . 1 1 49 49 ARG HD2 H 1 3.145 0.006 . 2 . . . A 49 ARG HD2 . 18411 1 588 . 1 1 49 49 ARG HD3 H 1 3.359 0.004 . 2 . . . A 49 ARG HD3 . 18411 1 589 . 1 1 49 49 ARG C C 13 177.871 0.003 . 1 . . . A 49 ARG C . 18411 1 590 . 1 1 49 49 ARG CA C 13 59.837 0.060 . 1 . . . A 49 ARG CA . 18411 1 591 . 1 1 49 49 ARG CB C 13 30.585 0.049 . 1 . . . A 49 ARG CB . 18411 1 592 . 1 1 49 49 ARG CG C 13 28.884 0.038 . 1 . . . A 49 ARG CG . 18411 1 593 . 1 1 49 49 ARG CD C 13 43.051 0.010 . 1 . . . A 49 ARG CD . 18411 1 594 . 1 1 49 49 ARG N N 15 115.039 0.028 . 1 . . . A 49 ARG N . 18411 1 595 . 1 1 50 50 LYS H H 1 7.385 0.002 . 1 . . . A 50 LYS H . 18411 1 596 . 1 1 50 50 LYS HA H 1 4.098 0.003 . 1 . . . A 50 LYS HA . 18411 1 597 . 1 1 50 50 LYS HB2 H 1 2.010 0.008 . 1 . . . A 50 LYS HB2 . 18411 1 598 . 1 1 50 50 LYS HB3 H 1 2.010 0.008 . 1 . . . A 50 LYS HB3 . 18411 1 599 . 1 1 50 50 LYS HG2 H 1 1.605 0.007 . 2 . . . A 50 LYS HG2 . 18411 1 600 . 1 1 50 50 LYS HG3 H 1 1.459 0.006 . 2 . . . A 50 LYS HG3 . 18411 1 601 . 1 1 50 50 LYS HD2 H 1 1.802 0.006 . 1 . . . A 50 LYS HD2 . 18411 1 602 . 1 1 50 50 LYS HD3 H 1 1.802 0.006 . 1 . . . A 50 LYS HD3 . 18411 1 603 . 1 1 50 50 LYS HE2 H 1 3.073 0.003 . 1 . . . A 50 LYS HE2 . 18411 1 604 . 1 1 50 50 LYS HE3 H 1 3.073 0.003 . 1 . . . A 50 LYS HE3 . 18411 1 605 . 1 1 50 50 LYS C C 13 177.723 0.013 . 1 . . . A 50 LYS C . 18411 1 606 . 1 1 50 50 LYS CA C 13 58.198 0.070 . 1 . . . A 50 LYS CA . 18411 1 607 . 1 1 50 50 LYS CB C 13 32.803 0.042 . 1 . . . A 50 LYS CB . 18411 1 608 . 1 1 50 50 LYS CG C 13 25.228 0.026 . 1 . . . A 50 LYS CG . 18411 1 609 . 1 1 50 50 LYS CD C 13 29.504 0.027 . 1 . . . A 50 LYS CD . 18411 1 610 . 1 1 50 50 LYS CE C 13 42.021 0.032 . 1 . . . A 50 LYS CE . 18411 1 611 . 1 1 50 50 LYS N N 15 117.909 0.015 . 1 . . . A 50 LYS N . 18411 1 612 . 1 1 51 51 GLU H H 1 7.764 0.002 . 1 . . . A 51 GLU H . 18411 1 613 . 1 1 51 51 GLU HA H 1 3.453 0.024 . 1 . . . A 51 GLU HA . 18411 1 614 . 1 1 51 51 GLU HB2 H 1 1.442 0.003 . 2 . . . A 51 GLU HB2 . 18411 1 615 . 1 1 51 51 GLU HB3 H 1 1.442 0.008 . 2 . . . A 51 GLU HB3 . 18411 1 616 . 1 1 51 51 GLU HG2 H 1 2.148 0.011 . 2 . . . A 51 GLU HG2 . 18411 1 617 . 1 1 51 51 GLU HG3 H 1 1.713 0.005 . 2 . . . A 51 GLU HG3 . 18411 1 618 . 1 1 51 51 GLU C C 13 179.194 0.034 . 1 . . . A 51 GLU C . 18411 1 619 . 1 1 51 51 GLU CA C 13 57.754 0.119 . 1 . . . A 51 GLU CA . 18411 1 620 . 1 1 51 51 GLU CB C 13 29.825 0.039 . 1 . . . A 51 GLU CB . 18411 1 621 . 1 1 51 51 GLU CG C 13 34.397 0.007 . 1 . . . A 51 GLU CG . 18411 1 622 . 1 1 51 51 GLU N N 15 117.196 0.037 . 1 . . . A 51 GLU N . 18411 1 623 . 1 1 52 52 MET H H 1 8.100 0.005 . 1 . . . A 52 MET H . 18411 1 624 . 1 1 52 52 MET HA H 1 3.979 0.004 . 1 . . . A 52 MET HA . 18411 1 625 . 1 1 52 52 MET HB2 H 1 1.942 0.006 . 1 . . . A 52 MET HB2 . 18411 1 626 . 1 1 52 52 MET HB3 H 1 1.942 0.006 . 1 . . . A 52 MET HB3 . 18411 1 627 . 1 1 52 52 MET HG2 H 1 2.843 0.005 . 2 . . . A 52 MET HG2 . 18411 1 628 . 1 1 52 52 MET HG3 H 1 2.691 0.004 . 2 . . . A 52 MET HG3 . 18411 1 629 . 1 1 52 52 MET HE1 H 1 1.371 0.005 . 1 . . . A 52 MET HE1 . 18411 1 630 . 1 1 52 52 MET HE2 H 1 1.371 0.005 . 1 . . . A 52 MET HE2 . 18411 1 631 . 1 1 52 52 MET HE3 H 1 1.371 0.005 . 1 . . . A 52 MET HE3 . 18411 1 632 . 1 1 52 52 MET C C 13 174.346 0.050 . 1 . . . A 52 MET C . 18411 1 633 . 1 1 52 52 MET CA C 13 62.384 0.017 . 1 . . . A 52 MET CA . 18411 1 634 . 1 1 52 52 MET CB C 13 32.805 0.050 . 1 . . . A 52 MET CB . 18411 1 635 . 1 1 52 52 MET CG C 13 34.700 0.017 . 1 . . . A 52 MET CG . 18411 1 636 . 1 1 52 52 MET CE C 13 15.402 0.007 . 1 . . . A 52 MET CE . 18411 1 637 . 1 1 52 52 MET N N 15 118.785 0.070 . 1 . . . A 52 MET N . 18411 1 638 . 1 1 53 53 PRO HA H 1 4.299 0.003 . 1 . . . A 53 PRO HA . 18411 1 639 . 1 1 53 53 PRO HB2 H 1 1.283 0.003 . 2 . . . A 53 PRO HB2 . 18411 1 640 . 1 1 53 53 PRO HB3 H 1 2.256 0.004 . 2 . . . A 53 PRO HB3 . 18411 1 641 . 1 1 53 53 PRO HG2 H 1 1.964 0.004 . 1 . . . A 53 PRO HG2 . 18411 1 642 . 1 1 53 53 PRO HG3 H 1 1.963 0.004 . 1 . . . A 53 PRO HG3 . 18411 1 643 . 1 1 53 53 PRO HD2 H 1 3.607 0.006 . 2 . . . A 53 PRO HD2 . 18411 1 644 . 1 1 53 53 PRO HD3 H 1 3.467 0.006 . 2 . . . A 53 PRO HD3 . 18411 1 645 . 1 1 53 53 PRO C C 13 179.242 0.004 . 1 . . . A 53 PRO C . 18411 1 646 . 1 1 53 53 PRO CA C 13 65.708 0.045 . 1 . . . A 53 PRO CA . 18411 1 647 . 1 1 53 53 PRO CB C 13 31.570 0.020 . 1 . . . A 53 PRO CB . 18411 1 648 . 1 1 53 53 PRO CG C 13 28.579 0.023 . 1 . . . A 53 PRO CG . 18411 1 649 . 1 1 53 53 PRO CD C 13 50.723 0.027 . 1 . . . A 53 PRO CD . 18411 1 650 . 1 1 54 54 PHE H H 1 7.251 0.002 . 1 . . . A 54 PHE H . 18411 1 651 . 1 1 54 54 PHE HA H 1 4.372 0.004 . 1 . . . A 54 PHE HA . 18411 1 652 . 1 1 54 54 PHE HB2 H 1 3.111 0.005 . 2 . . . A 54 PHE HB2 . 18411 1 653 . 1 1 54 54 PHE HB3 H 1 2.703 0.006 . 2 . . . A 54 PHE HB3 . 18411 1 654 . 1 1 54 54 PHE HD1 H 1 7.309 0.012 . 3 . . . A 54 PHE HD1 . 18411 1 655 . 1 1 54 54 PHE HD2 H 1 7.309 0.012 . 3 . . . A 54 PHE HD2 . 18411 1 656 . 1 1 54 54 PHE HE1 H 1 7.286 0.009 . 3 . . . A 54 PHE HE1 . 18411 1 657 . 1 1 54 54 PHE HE2 H 1 7.286 0.009 . 3 . . . A 54 PHE HE2 . 18411 1 658 . 1 1 54 54 PHE HZ H 1 7.275 0.010 . 1 . . . A 54 PHE HZ . 18411 1 659 . 1 1 54 54 PHE C C 13 178.283 0.016 . 1 . . . A 54 PHE C . 18411 1 660 . 1 1 54 54 PHE CA C 13 61.249 0.061 . 1 . . . A 54 PHE CA . 18411 1 661 . 1 1 54 54 PHE CB C 13 38.366 0.045 . 1 . . . A 54 PHE CB . 18411 1 662 . 1 1 54 54 PHE CD1 C 13 131.698 0.091 . 3 . . . A 54 PHE CD1 . 18411 1 663 . 1 1 54 54 PHE CD2 C 13 131.698 0.091 . 3 . . . A 54 PHE CD2 . 18411 1 664 . 1 1 54 54 PHE CE1 C 13 131.773 0.035 . 3 . . . A 54 PHE CE1 . 18411 1 665 . 1 1 54 54 PHE CE2 C 13 131.773 0.035 . 3 . . . A 54 PHE CE2 . 18411 1 666 . 1 1 54 54 PHE CZ C 13 129.774 0.050 . 1 . . . A 54 PHE CZ . 18411 1 667 . 1 1 54 54 PHE N N 15 116.067 0.014 . 1 . . . A 54 PHE N . 18411 1 668 . 1 1 55 55 ILE H H 1 7.935 0.003 . 1 . . . A 55 ILE H . 18411 1 669 . 1 1 55 55 ILE HA H 1 3.746 0.004 . 1 . . . A 55 ILE HA . 18411 1 670 . 1 1 55 55 ILE HB H 1 2.288 0.009 . 1 . . . A 55 ILE HB . 18411 1 671 . 1 1 55 55 ILE HG12 H 1 0.952 0.007 . 2 . . . A 55 ILE HG12 . 18411 1 672 . 1 1 55 55 ILE HG13 H 1 1.933 0.009 . 2 . . . A 55 ILE HG13 . 18411 1 673 . 1 1 55 55 ILE HG21 H 1 0.613 0.006 . 1 . . . A 55 ILE HG21 . 18411 1 674 . 1 1 55 55 ILE HG22 H 1 0.613 0.006 . 1 . . . A 55 ILE HG22 . 18411 1 675 . 1 1 55 55 ILE HG23 H 1 0.613 0.006 . 1 . . . A 55 ILE HG23 . 18411 1 676 . 1 1 55 55 ILE HD11 H 1 0.755 0.006 . 1 . . . A 55 ILE HD11 . 18411 1 677 . 1 1 55 55 ILE HD12 H 1 0.755 0.006 . 1 . . . A 55 ILE HD12 . 18411 1 678 . 1 1 55 55 ILE HD13 H 1 0.755 0.006 . 1 . . . A 55 ILE HD13 . 18411 1 679 . 1 1 55 55 ILE C C 13 179.005 0.018 . 1 . . . A 55 ILE C . 18411 1 680 . 1 1 55 55 ILE CA C 13 66.678 0.067 . 1 . . . A 55 ILE CA . 18411 1 681 . 1 1 55 55 ILE CB C 13 37.449 0.069 . 1 . . . A 55 ILE CB . 18411 1 682 . 1 1 55 55 ILE CG1 C 13 30.582 0.030 . 1 . . . A 55 ILE CG1 . 18411 1 683 . 1 1 55 55 ILE CG2 C 13 19.124 0.015 . 1 . . . A 55 ILE CG2 . 18411 1 684 . 1 1 55 55 ILE CD1 C 13 12.868 0.011 . 1 . . . A 55 ILE CD1 . 18411 1 685 . 1 1 55 55 ILE N N 15 122.051 0.042 . 1 . . . A 55 ILE N . 18411 1 686 . 1 1 56 56 GLU H H 1 8.657 0.003 . 1 . . . A 56 GLU H . 18411 1 687 . 1 1 56 56 GLU HA H 1 4.578 0.006 . 1 . . . A 56 GLU HA . 18411 1 688 . 1 1 56 56 GLU HB2 H 1 2.545 0.005 . 2 . . . A 56 GLU HB2 . 18411 1 689 . 1 1 56 56 GLU HB3 H 1 2.127 0.007 . 2 . . . A 56 GLU HB3 . 18411 1 690 . 1 1 56 56 GLU C C 13 177.034 0.012 . 1 . . . A 56 GLU C . 18411 1 691 . 1 1 56 56 GLU CA C 13 59.607 0.048 . 1 . . . A 56 GLU CA . 18411 1 692 . 1 1 56 56 GLU CB C 13 29.640 0.032 . 1 . . . A 56 GLU CB . 18411 1 693 . 1 1 56 56 GLU N N 15 120.941 0.017 . 1 . . . A 56 GLU N . 18411 1 694 . 1 1 57 57 LYS H H 1 7.719 0.002 . 1 . . . A 57 LYS H . 18411 1 695 . 1 1 57 57 LYS HA H 1 4.165 0.004 . 1 . . . A 57 LYS HA . 18411 1 696 . 1 1 57 57 LYS HB2 H 1 1.923 0.004 . 2 . . . A 57 LYS HB2 . 18411 1 697 . 1 1 57 57 LYS HB3 H 1 1.843 0.003 . 2 . . . A 57 LYS HB3 . 18411 1 698 . 1 1 57 57 LYS HG2 H 1 1.553 0.004 . 1 . . . A 57 LYS HG2 . 18411 1 699 . 1 1 57 57 LYS HG3 H 1 1.553 0.004 . 1 . . . A 57 LYS HG3 . 18411 1 700 . 1 1 57 57 LYS HD2 H 1 1.670 0.003 . 1 . . . A 57 LYS HD2 . 18411 1 701 . 1 1 57 57 LYS HD3 H 1 1.670 0.003 . 1 . . . A 57 LYS HD3 . 18411 1 702 . 1 1 57 57 LYS HE2 H 1 2.955 0.007 . 1 . . . A 57 LYS HE2 . 18411 1 703 . 1 1 57 57 LYS HE3 H 1 2.955 0.007 . 1 . . . A 57 LYS HE3 . 18411 1 704 . 1 1 57 57 LYS C C 13 177.831 0.005 . 1 . . . A 57 LYS C . 18411 1 705 . 1 1 57 57 LYS CA C 13 59.905 0.063 . 1 . . . A 57 LYS CA . 18411 1 706 . 1 1 57 57 LYS CB C 13 33.873 0.031 . 1 . . . A 57 LYS CB . 18411 1 707 . 1 1 57 57 LYS CG C 13 24.660 0.011 . 1 . . . A 57 LYS CG . 18411 1 708 . 1 1 57 57 LYS CD C 13 29.335 0.050 . 1 . . . A 57 LYS CD . 18411 1 709 . 1 1 57 57 LYS CE C 13 41.938 0.050 . 1 . . . A 57 LYS CE . 18411 1 710 . 1 1 57 57 LYS N N 15 114.712 0.022 . 1 . . . A 57 LYS N . 18411 1 711 . 1 1 58 58 ASP H H 1 8.783 0.002 . 1 . . . A 58 ASP H . 18411 1 712 . 1 1 58 58 ASP HA H 1 4.843 0.003 . 1 . . . A 58 ASP HA . 18411 1 713 . 1 1 58 58 ASP HB2 H 1 3.140 0.005 . 2 . . . A 58 ASP HB2 . 18411 1 714 . 1 1 58 58 ASP HB3 H 1 2.817 0.005 . 2 . . . A 58 ASP HB3 . 18411 1 715 . 1 1 58 58 ASP C C 13 176.515 0.007 . 1 . . . A 58 ASP C . 18411 1 716 . 1 1 58 58 ASP CA C 13 56.125 0.048 . 1 . . . A 58 ASP CA . 18411 1 717 . 1 1 58 58 ASP CB C 13 42.087 0.043 . 1 . . . A 58 ASP CB . 18411 1 718 . 1 1 58 58 ASP N N 15 114.953 0.026 . 1 . . . A 58 ASP N . 18411 1 719 . 1 1 59 59 ILE H H 1 7.455 0.002 . 1 . . . A 59 ILE H . 18411 1 720 . 1 1 59 59 ILE HA H 1 4.268 0.006 . 1 . . . A 59 ILE HA . 18411 1 721 . 1 1 59 59 ILE HB H 1 2.332 0.006 . 1 . . . A 59 ILE HB . 18411 1 722 . 1 1 59 59 ILE HG12 H 1 0.896 0.006 . 2 . . . A 59 ILE HG12 . 18411 1 723 . 1 1 59 59 ILE HG13 H 1 1.636 0.008 . 2 . . . A 59 ILE HG13 . 18411 1 724 . 1 1 59 59 ILE HG21 H 1 1.065 0.004 . 1 . . . A 59 ILE HG21 . 18411 1 725 . 1 1 59 59 ILE HG22 H 1 1.065 0.004 . 1 . . . A 59 ILE HG22 . 18411 1 726 . 1 1 59 59 ILE HG23 H 1 1.065 0.004 . 1 . . . A 59 ILE HG23 . 18411 1 727 . 1 1 59 59 ILE HD11 H 1 0.735 0.005 . 1 . . . A 59 ILE HD11 . 18411 1 728 . 1 1 59 59 ILE HD12 H 1 0.735 0.005 . 1 . . . A 59 ILE HD12 . 18411 1 729 . 1 1 59 59 ILE HD13 H 1 0.735 0.005 . 1 . . . A 59 ILE HD13 . 18411 1 730 . 1 1 59 59 ILE C C 13 176.369 0.013 . 1 . . . A 59 ILE C . 18411 1 731 . 1 1 59 59 ILE CA C 13 63.757 0.067 . 1 . . . A 59 ILE CA . 18411 1 732 . 1 1 59 59 ILE CB C 13 40.396 0.028 . 1 . . . A 59 ILE CB . 18411 1 733 . 1 1 59 59 ILE CG1 C 13 28.247 0.004 . 1 . . . A 59 ILE CG1 . 18411 1 734 . 1 1 59 59 ILE CG2 C 13 18.969 0.014 . 1 . . . A 59 ILE CG2 . 18411 1 735 . 1 1 59 59 ILE CD1 C 13 14.334 0.011 . 1 . . . A 59 ILE CD1 . 18411 1 736 . 1 1 59 59 ILE N N 15 115.807 0.024 . 1 . . . A 59 ILE N . 18411 1 737 . 1 1 60 60 TRP H H 1 9.012 0.002 . 1 . . . A 60 TRP H . 18411 1 738 . 1 1 60 60 TRP HA H 1 4.727 0.004 . 1 . . . A 60 TRP HA . 18411 1 739 . 1 1 60 60 TRP HB2 H 1 3.081 0.010 . 2 . . . A 60 TRP HB2 . 18411 1 740 . 1 1 60 60 TRP HB3 H 1 3.837 0.007 . 2 . . . A 60 TRP HB3 . 18411 1 741 . 1 1 60 60 TRP HD1 H 1 7.517 0.010 . 1 . . . A 60 TRP HD1 . 18411 1 742 . 1 1 60 60 TRP HE1 H 1 9.233 0.001 . 1 . . . A 60 TRP HE1 . 18411 1 743 . 1 1 60 60 TRP HE3 H 1 7.636 0.009 . 1 . . . A 60 TRP HE3 . 18411 1 744 . 1 1 60 60 TRP HZ2 H 1 7.619 0.006 . 1 . . . A 60 TRP HZ2 . 18411 1 745 . 1 1 60 60 TRP HZ3 H 1 7.266 0.004 . 1 . . . A 60 TRP HZ3 . 18411 1 746 . 1 1 60 60 TRP HH2 H 1 7.504 0.007 . 1 . . . A 60 TRP HH2 . 18411 1 747 . 1 1 60 60 TRP C C 13 177.428 0.007 . 1 . . . A 60 TRP C . 18411 1 748 . 1 1 60 60 TRP CA C 13 60.644 0.038 . 1 . . . A 60 TRP CA . 18411 1 749 . 1 1 60 60 TRP CB C 13 30.907 0.026 . 1 . . . A 60 TRP CB . 18411 1 750 . 1 1 60 60 TRP CD1 C 13 130.232 0.031 . 1 . . . A 60 TRP CD1 . 18411 1 751 . 1 1 60 60 TRP CE3 C 13 122.055 0.031 . 1 . . . A 60 TRP CE3 . 18411 1 752 . 1 1 60 60 TRP CZ2 C 13 115.190 0.028 . 1 . . . A 60 TRP CZ2 . 18411 1 753 . 1 1 60 60 TRP CZ3 C 13 122.204 0.032 . 1 . . . A 60 TRP CZ3 . 18411 1 754 . 1 1 60 60 TRP CH2 C 13 125.455 0.070 . 1 . . . A 60 TRP CH2 . 18411 1 755 . 1 1 60 60 TRP N N 15 120.937 0.016 . 1 . . . A 60 TRP N . 18411 1 756 . 1 1 60 60 TRP NE1 N 15 128.591 0.013 . 1 . . . A 60 TRP NE1 . 18411 1 757 . 1 1 61 61 LEU H H 1 9.210 0.002 . 1 . . . A 61 LEU H . 18411 1 758 . 1 1 61 61 LEU HA H 1 3.572 0.004 . 1 . . . A 61 LEU HA . 18411 1 759 . 1 1 61 61 LEU HB2 H 1 1.936 0.006 . 2 . . . A 61 LEU HB2 . 18411 1 760 . 1 1 61 61 LEU HB3 H 1 1.382 0.004 . 2 . . . A 61 LEU HB3 . 18411 1 761 . 1 1 61 61 LEU HG H 1 2.041 0.006 . 1 . . . A 61 LEU HG . 18411 1 762 . 1 1 61 61 LEU HD11 H 1 0.824 0.003 . 2 . . . A 61 LEU HD11 . 18411 1 763 . 1 1 61 61 LEU HD12 H 1 0.824 0.003 . 2 . . . A 61 LEU HD12 . 18411 1 764 . 1 1 61 61 LEU HD13 H 1 0.824 0.003 . 2 . . . A 61 LEU HD13 . 18411 1 765 . 1 1 61 61 LEU HD21 H 1 1.026 0.003 . 2 . . . A 61 LEU HD21 . 18411 1 766 . 1 1 61 61 LEU HD22 H 1 1.026 0.003 . 2 . . . A 61 LEU HD22 . 18411 1 767 . 1 1 61 61 LEU HD23 H 1 1.026 0.003 . 2 . . . A 61 LEU HD23 . 18411 1 768 . 1 1 61 61 LEU C C 13 179.473 0.009 . 1 . . . A 61 LEU C . 18411 1 769 . 1 1 61 61 LEU CA C 13 57.569 0.042 . 1 . . . A 61 LEU CA . 18411 1 770 . 1 1 61 61 LEU CB C 13 41.040 0.021 . 1 . . . A 61 LEU CB . 18411 1 771 . 1 1 61 61 LEU CG C 13 26.732 0.007 . 1 . . . A 61 LEU CG . 18411 1 772 . 1 1 61 61 LEU CD1 C 13 22.145 0.019 . 2 . . . A 61 LEU CD1 . 18411 1 773 . 1 1 61 61 LEU CD2 C 13 25.741 0.038 . 2 . . . A 61 LEU CD2 . 18411 1 774 . 1 1 61 61 LEU N N 15 113.624 0.035 . 1 . . . A 61 LEU N . 18411 1 775 . 1 1 62 62 LYS H H 1 6.216 0.002 . 1 . . . A 62 LYS H . 18411 1 776 . 1 1 62 62 LYS HA H 1 3.889 0.004 . 1 . . . A 62 LYS HA . 18411 1 777 . 1 1 62 62 LYS HB2 H 1 1.172 0.004 . 2 . . . A 62 LYS HB2 . 18411 1 778 . 1 1 62 62 LYS HB3 H 1 1.006 0.003 . 2 . . . A 62 LYS HB3 . 18411 1 779 . 1 1 62 62 LYS HG2 H 1 1.042 0.006 . 2 . . . A 62 LYS HG2 . 18411 1 780 . 1 1 62 62 LYS HG3 H 1 0.941 0.006 . 2 . . . A 62 LYS HG3 . 18411 1 781 . 1 1 62 62 LYS HD2 H 1 1.491 0.007 . 2 . . . A 62 LYS HD2 . 18411 1 782 . 1 1 62 62 LYS HD3 H 1 1.448 0.007 . 2 . . . A 62 LYS HD3 . 18411 1 783 . 1 1 62 62 LYS HE2 H 1 2.953 0.004 . 1 . . . A 62 LYS HE2 . 18411 1 784 . 1 1 62 62 LYS HE3 H 1 2.953 0.004 . 1 . . . A 62 LYS HE3 . 18411 1 785 . 1 1 62 62 LYS C C 13 178.111 0.007 . 1 . . . A 62 LYS C . 18411 1 786 . 1 1 62 62 LYS CA C 13 56.667 0.059 . 1 . . . A 62 LYS CA . 18411 1 787 . 1 1 62 62 LYS CB C 13 31.651 0.024 . 1 . . . A 62 LYS CB . 18411 1 788 . 1 1 62 62 LYS CG C 13 23.925 0.014 . 1 . . . A 62 LYS CG . 18411 1 789 . 1 1 62 62 LYS CD C 13 27.853 0.017 . 1 . . . A 62 LYS CD . 18411 1 790 . 1 1 62 62 LYS CE C 13 42.008 0.050 . 1 . . . A 62 LYS CE . 18411 1 791 . 1 1 62 62 LYS N N 15 112.991 0.025 . 1 . . . A 62 LYS N . 18411 1 792 . 1 1 63 63 HIS H H 1 7.067 0.003 . 1 . . . A 63 HIS H . 18411 1 793 . 1 1 63 63 HIS HA H 1 4.943 0.005 . 1 . . . A 63 HIS HA . 18411 1 794 . 1 1 63 63 HIS HB2 H 1 2.705 0.004 . 2 . . . A 63 HIS HB2 . 18411 1 795 . 1 1 63 63 HIS HB3 H 1 2.053 0.004 . 2 . . . A 63 HIS HB3 . 18411 1 796 . 1 1 63 63 HIS HD2 H 1 6.470 0.005 . 1 . . . A 63 HIS HD2 . 18411 1 797 . 1 1 63 63 HIS HE1 H 1 7.654 0.010 . 1 . . . A 63 HIS HE1 . 18411 1 798 . 1 1 63 63 HIS C C 13 177.057 0.005 . 1 . . . A 63 HIS C . 18411 1 799 . 1 1 63 63 HIS CA C 13 56.133 0.045 . 1 . . . A 63 HIS CA . 18411 1 800 . 1 1 63 63 HIS CB C 13 33.235 0.054 . 1 . . . A 63 HIS CB . 18411 1 801 . 1 1 63 63 HIS CD2 C 13 119.320 0.073 . 1 . . . A 63 HIS CD2 . 18411 1 802 . 1 1 63 63 HIS CE1 C 13 137.564 0.032 . 1 . . . A 63 HIS CE1 . 18411 1 803 . 1 1 63 63 HIS N N 15 114.656 0.037 . 1 . . . A 63 HIS N . 18411 1 804 . 1 1 64 64 LYS H H 1 8.114 0.003 . 1 . . . A 64 LYS H . 18411 1 805 . 1 1 64 64 LYS HA H 1 3.513 0.004 . 1 . . . A 64 LYS HA . 18411 1 806 . 1 1 64 64 LYS HB2 H 1 0.076 0.006 . 2 . . . A 64 LYS HB2 . 18411 1 807 . 1 1 64 64 LYS HB3 H 1 0.478 0.005 . 2 . . . A 64 LYS HB3 . 18411 1 808 . 1 1 64 64 LYS HG2 H 1 0.899 0.011 . 2 . . . A 64 LYS HG2 . 18411 1 809 . 1 1 64 64 LYS HG3 H 1 0.748 0.005 . 2 . . . A 64 LYS HG3 . 18411 1 810 . 1 1 64 64 LYS HD2 H 1 1.007 0.003 . 2 . . . A 64 LYS HD2 . 18411 1 811 . 1 1 64 64 LYS HD3 H 1 0.934 0.006 . 2 . . . A 64 LYS HD3 . 18411 1 812 . 1 1 64 64 LYS HE2 H 1 2.846 0.003 . 1 . . . A 64 LYS HE2 . 18411 1 813 . 1 1 64 64 LYS HE3 H 1 2.846 0.003 . 1 . . . A 64 LYS HE3 . 18411 1 814 . 1 1 64 64 LYS C C 13 177.074 0.050 . 1 . . . A 64 LYS C . 18411 1 815 . 1 1 64 64 LYS CA C 13 59.166 0.046 . 1 . . . A 64 LYS CA . 18411 1 816 . 1 1 64 64 LYS CB C 13 28.740 0.023 . 1 . . . A 64 LYS CB . 18411 1 817 . 1 1 64 64 LYS CG C 13 22.171 0.034 . 1 . . . A 64 LYS CG . 18411 1 818 . 1 1 64 64 LYS CD C 13 29.047 0.013 . 1 . . . A 64 LYS CD . 18411 1 819 . 1 1 64 64 LYS CE C 13 41.713 0.044 . 1 . . . A 64 LYS CE . 18411 1 820 . 1 1 64 64 LYS N N 15 119.155 0.071 . 1 . . . A 64 LYS N . 18411 1 821 . 1 1 65 65 ASP H H 1 7.963 0.002 . 1 . . . A 65 ASP H . 18411 1 822 . 1 1 65 65 ASP HA H 1 4.714 0.003 . 1 . . . A 65 ASP HA . 18411 1 823 . 1 1 65 65 ASP HB2 H 1 2.413 0.001 . 2 . . . A 65 ASP HB2 . 18411 1 824 . 1 1 65 65 ASP HB3 H 1 2.820 0.010 . 2 . . . A 65 ASP HB3 . 18411 1 825 . 1 1 65 65 ASP C C 13 175.195 0.012 . 1 . . . A 65 ASP C . 18411 1 826 . 1 1 65 65 ASP CA C 13 54.204 0.097 . 1 . . . A 65 ASP CA . 18411 1 827 . 1 1 65 65 ASP CB C 13 40.564 0.035 . 1 . . . A 65 ASP CB . 18411 1 828 . 1 1 65 65 ASP N N 15 117.882 0.018 . 1 . . . A 65 ASP N . 18411 1 829 . 1 1 66 66 ASN H H 1 8.184 0.002 . 1 . . . A 66 ASN H . 18411 1 830 . 1 1 66 66 ASN HA H 1 4.659 0.008 . 1 . . . A 66 ASN HA . 18411 1 831 . 1 1 66 66 ASN HB2 H 1 3.455 0.007 . 2 . . . A 66 ASN HB2 . 18411 1 832 . 1 1 66 66 ASN HB3 H 1 2.787 0.003 . 2 . . . A 66 ASN HB3 . 18411 1 833 . 1 1 66 66 ASN HD21 H 1 8.453 0.003 . 1 . . . A 66 ASN HD21 . 18411 1 834 . 1 1 66 66 ASN HD22 H 1 7.376 0.002 . 1 . . . A 66 ASN HD22 . 18411 1 835 . 1 1 66 66 ASN C C 13 176.046 0.011 . 1 . . . A 66 ASN C . 18411 1 836 . 1 1 66 66 ASN CA C 13 52.799 0.082 . 1 . . . A 66 ASN CA . 18411 1 837 . 1 1 66 66 ASN CB C 13 39.054 0.037 . 1 . . . A 66 ASN CB . 18411 1 838 . 1 1 66 66 ASN N N 15 122.091 0.032 . 1 . . . A 66 ASN N . 18411 1 839 . 1 1 66 66 ASN ND2 N 15 113.686 0.044 . 1 . . . A 66 ASN ND2 . 18411 1 840 . 1 1 67 67 ALA H H 1 8.806 0.003 . 1 . . . A 67 ALA H . 18411 1 841 . 1 1 67 67 ALA HA H 1 4.295 0.007 . 1 . . . A 67 ALA HA . 18411 1 842 . 1 1 67 67 ALA HB1 H 1 1.501 0.003 . 1 . . . A 67 ALA HB1 . 18411 1 843 . 1 1 67 67 ALA HB2 H 1 1.501 0.003 . 1 . . . A 67 ALA HB2 . 18411 1 844 . 1 1 67 67 ALA HB3 H 1 1.501 0.003 . 1 . . . A 67 ALA HB3 . 18411 1 845 . 1 1 67 67 ALA C C 13 177.886 0.008 . 1 . . . A 67 ALA C . 18411 1 846 . 1 1 67 67 ALA CA C 13 54.049 0.090 . 1 . . . A 67 ALA CA . 18411 1 847 . 1 1 67 67 ALA CB C 13 18.549 0.029 . 1 . . . A 67 ALA CB . 18411 1 848 . 1 1 67 67 ALA N N 15 128.893 0.023 . 1 . . . A 67 ALA N . 18411 1 849 . 1 1 68 68 ASP H H 1 8.759 0.002 . 1 . . . A 68 ASP H . 18411 1 850 . 1 1 68 68 ASP HA H 1 4.823 0.005 . 1 . . . A 68 ASP HA . 18411 1 851 . 1 1 68 68 ASP HB2 H 1 3.091 0.010 . 2 . . . A 68 ASP HB2 . 18411 1 852 . 1 1 68 68 ASP HB3 H 1 2.798 0.005 . 2 . . . A 68 ASP HB3 . 18411 1 853 . 1 1 68 68 ASP C C 13 173.310 0.008 . 1 . . . A 68 ASP C . 18411 1 854 . 1 1 68 68 ASP CA C 13 54.202 0.051 . 1 . . . A 68 ASP CA . 18411 1 855 . 1 1 68 68 ASP CB C 13 40.892 0.024 . 1 . . . A 68 ASP CB . 18411 1 856 . 1 1 68 68 ASP N N 15 116.612 0.025 . 1 . . . A 68 ASP N . 18411 1 857 . 1 1 69 69 PHE H H 1 7.912 0.002 . 1 . . . A 69 PHE H . 18411 1 858 . 1 1 69 69 PHE HA H 1 5.741 0.005 . 1 . . . A 69 PHE HA . 18411 1 859 . 1 1 69 69 PHE HB2 H 1 3.113 0.010 . 2 . . . A 69 PHE HB2 . 18411 1 860 . 1 1 69 69 PHE HB3 H 1 2.859 0.007 . 2 . . . A 69 PHE HB3 . 18411 1 861 . 1 1 69 69 PHE HD1 H 1 7.059 0.006 . 3 . . . A 69 PHE HD1 . 18411 1 862 . 1 1 69 69 PHE HD2 H 1 7.059 0.006 . 3 . . . A 69 PHE HD2 . 18411 1 863 . 1 1 69 69 PHE HE1 H 1 7.059 0.006 . 3 . . . A 69 PHE HE1 . 18411 1 864 . 1 1 69 69 PHE HE2 H 1 7.059 0.006 . 3 . . . A 69 PHE HE2 . 18411 1 865 . 1 1 69 69 PHE HZ H 1 6.990 0.006 . 1 . . . A 69 PHE HZ . 18411 1 866 . 1 1 69 69 PHE C C 13 173.860 0.005 . 1 . . . A 69 PHE C . 18411 1 867 . 1 1 69 69 PHE CA C 13 56.192 0.049 . 1 . . . A 69 PHE CA . 18411 1 868 . 1 1 69 69 PHE CB C 13 43.496 0.046 . 1 . . . A 69 PHE CB . 18411 1 869 . 1 1 69 69 PHE CD1 C 13 132.196 0.030 . 3 . . . A 69 PHE CD1 . 18411 1 870 . 1 1 69 69 PHE CD2 C 13 132.196 0.030 . 3 . . . A 69 PHE CD2 . 18411 1 871 . 1 1 69 69 PHE CE1 C 13 130.710 0.070 . 3 . . . A 69 PHE CE1 . 18411 1 872 . 1 1 69 69 PHE CE2 C 13 130.710 0.070 . 3 . . . A 69 PHE CE2 . 18411 1 873 . 1 1 69 69 PHE CZ C 13 129.393 0.069 . 1 . . . A 69 PHE CZ . 18411 1 874 . 1 1 69 69 PHE N N 15 119.640 0.017 . 1 . . . A 69 PHE N . 18411 1 875 . 1 1 70 70 ALA H H 1 8.298 0.002 . 1 . . . A 70 ALA H . 18411 1 876 . 1 1 70 70 ALA HA H 1 4.321 0.002 . 1 . . . A 70 ALA HA . 18411 1 877 . 1 1 70 70 ALA HB1 H 1 1.190 0.004 . 1 . . . A 70 ALA HB1 . 18411 1 878 . 1 1 70 70 ALA HB2 H 1 1.190 0.004 . 1 . . . A 70 ALA HB2 . 18411 1 879 . 1 1 70 70 ALA HB3 H 1 1.190 0.004 . 1 . . . A 70 ALA HB3 . 18411 1 880 . 1 1 70 70 ALA C C 13 171.945 0.005 . 1 . . . A 70 ALA C . 18411 1 881 . 1 1 70 70 ALA CA C 13 51.573 0.051 . 1 . . . A 70 ALA CA . 18411 1 882 . 1 1 70 70 ALA CB C 13 23.273 0.017 . 1 . . . A 70 ALA CB . 18411 1 883 . 1 1 70 70 ALA N N 15 130.226 0.023 . 1 . . . A 70 ALA N . 18411 1 884 . 1 1 71 71 LEU H H 1 7.217 0.002 . 1 . . . A 71 LEU H . 18411 1 885 . 1 1 71 71 LEU HA H 1 5.120 0.008 . 1 . . . A 71 LEU HA . 18411 1 886 . 1 1 71 71 LEU HB2 H 1 1.446 0.007 . 1 . . . A 71 LEU HB2 . 18411 1 887 . 1 1 71 71 LEU HB3 H 1 1.446 0.007 . 1 . . . A 71 LEU HB3 . 18411 1 888 . 1 1 71 71 LEU HG H 1 0.955 0.008 . 1 . . . A 71 LEU HG . 18411 1 889 . 1 1 71 71 LEU HD11 H 1 0.547 0.005 . 2 . . . A 71 LEU HD11 . 18411 1 890 . 1 1 71 71 LEU HD12 H 1 0.547 0.005 . 2 . . . A 71 LEU HD12 . 18411 1 891 . 1 1 71 71 LEU HD13 H 1 0.547 0.005 . 2 . . . A 71 LEU HD13 . 18411 1 892 . 1 1 71 71 LEU HD21 H 1 0.060 0.005 . 2 . . . A 71 LEU HD21 . 18411 1 893 . 1 1 71 71 LEU HD22 H 1 0.060 0.005 . 2 . . . A 71 LEU HD22 . 18411 1 894 . 1 1 71 71 LEU HD23 H 1 0.060 0.005 . 2 . . . A 71 LEU HD23 . 18411 1 895 . 1 1 71 71 LEU C C 13 174.836 0.012 . 1 . . . A 71 LEU C . 18411 1 896 . 1 1 71 71 LEU CA C 13 53.348 0.039 . 1 . . . A 71 LEU CA . 18411 1 897 . 1 1 71 71 LEU CB C 13 46.617 0.077 . 1 . . . A 71 LEU CB . 18411 1 898 . 1 1 71 71 LEU CG C 13 28.460 0.050 . 1 . . . A 71 LEU CG . 18411 1 899 . 1 1 71 71 LEU CD1 C 13 22.501 0.007 . 2 . . . A 71 LEU CD1 . 18411 1 900 . 1 1 71 71 LEU CD2 C 13 26.370 0.009 . 2 . . . A 71 LEU CD2 . 18411 1 901 . 1 1 71 71 LEU N N 15 122.090 0.018 . 1 . . . A 71 LEU N . 18411 1 902 . 1 1 72 72 ILE H H 1 8.211 0.002 . 1 . . . A 72 ILE H . 18411 1 903 . 1 1 72 72 ILE HA H 1 4.336 0.005 . 1 . . . A 72 ILE HA . 18411 1 904 . 1 1 72 72 ILE HB H 1 1.468 0.004 . 1 . . . A 72 ILE HB . 18411 1 905 . 1 1 72 72 ILE HG12 H 1 1.260 0.004 . 2 . . . A 72 ILE HG12 . 18411 1 906 . 1 1 72 72 ILE HG13 H 1 0.776 0.005 . 2 . . . A 72 ILE HG13 . 18411 1 907 . 1 1 72 72 ILE HG21 H 1 0.612 0.003 . 1 . . . A 72 ILE HG21 . 18411 1 908 . 1 1 72 72 ILE HG22 H 1 0.612 0.003 . 1 . . . A 72 ILE HG22 . 18411 1 909 . 1 1 72 72 ILE HG23 H 1 0.612 0.003 . 1 . . . A 72 ILE HG23 . 18411 1 910 . 1 1 72 72 ILE HD11 H 1 0.607 0.002 . 1 . . . A 72 ILE HD11 . 18411 1 911 . 1 1 72 72 ILE HD12 H 1 0.607 0.002 . 1 . . . A 72 ILE HD12 . 18411 1 912 . 1 1 72 72 ILE HD13 H 1 0.607 0.002 . 1 . . . A 72 ILE HD13 . 18411 1 913 . 1 1 72 72 ILE C C 13 175.377 0.016 . 1 . . . A 72 ILE C . 18411 1 914 . 1 1 72 72 ILE CA C 13 60.236 0.023 . 1 . . . A 72 ILE CA . 18411 1 915 . 1 1 72 72 ILE CB C 13 42.355 0.029 . 1 . . . A 72 ILE CB . 18411 1 916 . 1 1 72 72 ILE CG1 C 13 27.298 0.010 . 1 . . . A 72 ILE CG1 . 18411 1 917 . 1 1 72 72 ILE CG2 C 13 17.726 0.007 . 1 . . . A 72 ILE CG2 . 18411 1 918 . 1 1 72 72 ILE CD1 C 13 13.124 0.008 . 1 . . . A 72 ILE CD1 . 18411 1 919 . 1 1 72 72 ILE N N 15 123.189 0.025 . 1 . . . A 72 ILE N . 18411 1 920 . 1 1 73 73 GLY H H 1 9.202 0.002 . 1 . . . A 73 GLY H . 18411 1 921 . 1 1 73 73 GLY HA2 H 1 3.408 0.006 . 2 . . . A 73 GLY HA2 . 18411 1 922 . 1 1 73 73 GLY HA3 H 1 5.161 0.009 . 2 . . . A 73 GLY HA3 . 18411 1 923 . 1 1 73 73 GLY C C 13 172.626 0.003 . 1 . . . A 73 GLY C . 18411 1 924 . 1 1 73 73 GLY CA C 13 44.213 0.044 . 1 . . . A 73 GLY CA . 18411 1 925 . 1 1 73 73 GLY N N 15 114.189 0.038 . 1 . . . A 73 GLY N . 18411 1 926 . 1 1 74 74 ILE H H 1 9.279 0.003 . 1 . . . A 74 ILE H . 18411 1 927 . 1 1 74 74 ILE HA H 1 3.873 0.004 . 1 . . . A 74 ILE HA . 18411 1 928 . 1 1 74 74 ILE HB H 1 1.393 0.007 . 1 . . . A 74 ILE HB . 18411 1 929 . 1 1 74 74 ILE HG12 H 1 1.036 0.007 . 2 . . . A 74 ILE HG12 . 18411 1 930 . 1 1 74 74 ILE HG13 H 1 0.367 0.003 . 2 . . . A 74 ILE HG13 . 18411 1 931 . 1 1 74 74 ILE HG21 H 1 0.669 0.003 . 1 . . . A 74 ILE HG21 . 18411 1 932 . 1 1 74 74 ILE HG22 H 1 0.669 0.003 . 1 . . . A 74 ILE HG22 . 18411 1 933 . 1 1 74 74 ILE HG23 H 1 0.669 0.003 . 1 . . . A 74 ILE HG23 . 18411 1 934 . 1 1 74 74 ILE HD11 H 1 0.051 0.004 . 1 . . . A 74 ILE HD11 . 18411 1 935 . 1 1 74 74 ILE HD12 H 1 0.051 0.004 . 1 . . . A 74 ILE HD12 . 18411 1 936 . 1 1 74 74 ILE HD13 H 1 0.051 0.004 . 1 . . . A 74 ILE HD13 . 18411 1 937 . 1 1 74 74 ILE C C 13 174.792 0.018 . 1 . . . A 74 ILE C . 18411 1 938 . 1 1 74 74 ILE CA C 13 61.660 0.041 . 1 . . . A 74 ILE CA . 18411 1 939 . 1 1 74 74 ILE CB C 13 37.394 0.022 . 1 . . . A 74 ILE CB . 18411 1 940 . 1 1 74 74 ILE CG1 C 13 26.371 0.031 . 1 . . . A 74 ILE CG1 . 18411 1 941 . 1 1 74 74 ILE CG2 C 13 18.554 0.009 . 1 . . . A 74 ILE CG2 . 18411 1 942 . 1 1 74 74 ILE CD1 C 13 15.075 0.004 . 1 . . . A 74 ILE CD1 . 18411 1 943 . 1 1 74 74 ILE N N 15 126.577 0.013 . 1 . . . A 74 ILE N . 18411 1 944 . 1 1 75 75 ASP H H 1 8.592 0.002 . 1 . . . A 75 ASP H . 18411 1 945 . 1 1 75 75 ASP HA H 1 5.213 0.006 . 1 . . . A 75 ASP HA . 18411 1 946 . 1 1 75 75 ASP HB2 H 1 2.066 0.009 . 2 . . . A 75 ASP HB2 . 18411 1 947 . 1 1 75 75 ASP HB3 H 1 3.081 0.008 . 2 . . . A 75 ASP HB3 . 18411 1 948 . 1 1 75 75 ASP C C 13 175.696 0.019 . 1 . . . A 75 ASP C . 18411 1 949 . 1 1 75 75 ASP CA C 13 52.425 0.074 . 1 . . . A 75 ASP CA . 18411 1 950 . 1 1 75 75 ASP CB C 13 41.673 0.052 . 1 . . . A 75 ASP CB . 18411 1 951 . 1 1 75 75 ASP N N 15 129.040 0.037 . 1 . . . A 75 ASP N . 18411 1 952 . 1 1 76 76 ARG H H 1 8.842 0.003 . 1 . . . A 76 ARG H . 18411 1 953 . 1 1 76 76 ARG HA H 1 4.346 0.005 . 1 . . . A 76 ARG HA . 18411 1 954 . 1 1 76 76 ARG HB2 H 1 1.925 0.012 . 1 . . . A 76 ARG HB2 . 18411 1 955 . 1 1 76 76 ARG HB3 H 1 1.925 0.012 . 1 . . . A 76 ARG HB3 . 18411 1 956 . 1 1 76 76 ARG HG2 H 1 1.646 0.013 . 2 . . . A 76 ARG HG2 . 18411 1 957 . 1 1 76 76 ARG HG3 H 1 1.412 0.008 . 2 . . . A 76 ARG HG3 . 18411 1 958 . 1 1 76 76 ARG HD2 H 1 2.664 0.003 . 2 . . . A 76 ARG HD2 . 18411 1 959 . 1 1 76 76 ARG HD3 H 1 2.009 0.007 . 2 . . . A 76 ARG HD3 . 18411 1 960 . 1 1 76 76 ARG C C 13 174.562 0.002 . 1 . . . A 76 ARG C . 18411 1 961 . 1 1 76 76 ARG CA C 13 58.885 0.076 . 1 . . . A 76 ARG CA . 18411 1 962 . 1 1 76 76 ARG CB C 13 32.732 0.061 . 1 . . . A 76 ARG CB . 18411 1 963 . 1 1 76 76 ARG CG C 13 27.845 0.003 . 1 . . . A 76 ARG CG . 18411 1 964 . 1 1 76 76 ARG CD C 13 43.443 0.007 . 1 . . . A 76 ARG CD . 18411 1 965 . 1 1 76 76 ARG N N 15 128.762 0.054 . 1 . . . A 76 ARG N . 18411 1 966 . 1 1 77 77 ASP H H 1 8.256 0.002 . 1 . . . A 77 ASP H . 18411 1 967 . 1 1 77 77 ASP HA H 1 4.473 0.004 . 1 . . . A 77 ASP HA . 18411 1 968 . 1 1 77 77 ASP HB2 H 1 3.270 0.004 . 2 . . . A 77 ASP HB2 . 18411 1 969 . 1 1 77 77 ASP HB3 H 1 2.127 0.007 . 2 . . . A 77 ASP HB3 . 18411 1 970 . 1 1 77 77 ASP C C 13 173.969 0.050 . 1 . . . A 77 ASP C . 18411 1 971 . 1 1 77 77 ASP CA C 13 56.139 0.068 . 1 . . . A 77 ASP CA . 18411 1 972 . 1 1 77 77 ASP CB C 13 42.541 0.020 . 1 . . . A 77 ASP CB . 18411 1 973 . 1 1 77 77 ASP N N 15 128.451 0.021 . 1 . . . A 77 ASP N . 18411 1 974 . 1 1 78 78 GLU H H 1 8.010 0.002 . 1 . . . A 78 GLU H . 18411 1 975 . 1 1 78 78 GLU HA H 1 5.060 0.002 . 1 . . . A 78 GLU HA . 18411 1 976 . 1 1 78 78 GLU HB2 H 1 1.907 0.003 . 2 . . . A 78 GLU HB2 . 18411 1 977 . 1 1 78 78 GLU HB3 H 1 1.762 0.006 . 2 . . . A 78 GLU HB3 . 18411 1 978 . 1 1 78 78 GLU HG2 H 1 2.821 0.006 . 2 . . . A 78 GLU HG2 . 18411 1 979 . 1 1 78 78 GLU HG3 H 1 2.167 0.008 . 2 . . . A 78 GLU HG3 . 18411 1 980 . 1 1 78 78 GLU C C 13 174.225 0.050 . 1 . . . A 78 GLU C . 18411 1 981 . 1 1 78 78 GLU CA C 13 54.220 0.019 . 1 . . . A 78 GLU CA . 18411 1 982 . 1 1 78 78 GLU CB C 13 32.842 0.028 . 1 . . . A 78 GLU CB . 18411 1 983 . 1 1 78 78 GLU CG C 13 37.691 0.016 . 1 . . . A 78 GLU CG . 18411 1 984 . 1 1 78 78 GLU N N 15 114.796 0.021 . 1 . . . A 78 GLU N . 18411 1 985 . 1 1 79 79 PRO HA H 1 4.579 0.003 . 1 . . . A 79 PRO HA . 18411 1 986 . 1 1 79 79 PRO HB2 H 1 2.510 0.003 . 2 . . . A 79 PRO HB2 . 18411 1 987 . 1 1 79 79 PRO HB3 H 1 2.197 0.005 . 2 . . . A 79 PRO HB3 . 18411 1 988 . 1 1 79 79 PRO HG2 H 1 2.210 0.004 . 2 . . . A 79 PRO HG2 . 18411 1 989 . 1 1 79 79 PRO HG3 H 1 2.008 0.004 . 2 . . . A 79 PRO HG3 . 18411 1 990 . 1 1 79 79 PRO HD2 H 1 3.985 0.002 . 2 . . . A 79 PRO HD2 . 18411 1 991 . 1 1 79 79 PRO HD3 H 1 3.582 0.005 . 2 . . . A 79 PRO HD3 . 18411 1 992 . 1 1 79 79 PRO C C 13 177.508 0.012 . 1 . . . A 79 PRO C . 18411 1 993 . 1 1 79 79 PRO CA C 13 62.067 0.054 . 1 . . . A 79 PRO CA . 18411 1 994 . 1 1 79 79 PRO CB C 13 33.096 0.018 . 1 . . . A 79 PRO CB . 18411 1 995 . 1 1 79 79 PRO CG C 13 27.727 0.027 . 1 . . . A 79 PRO CG . 18411 1 996 . 1 1 79 79 PRO CD C 13 51.050 0.020 . 1 . . . A 79 PRO CD . 18411 1 997 . 1 1 80 80 LEU H H 1 8.943 0.001 . 1 . . . A 80 LEU H . 18411 1 998 . 1 1 80 80 LEU HA H 1 3.927 0.004 . 1 . . . A 80 LEU HA . 18411 1 999 . 1 1 80 80 LEU HB2 H 1 1.850 0.005 . 2 . . . A 80 LEU HB2 . 18411 1 1000 . 1 1 80 80 LEU HB3 H 1 1.706 0.009 . 2 . . . A 80 LEU HB3 . 18411 1 1001 . 1 1 80 80 LEU HG H 1 1.581 0.009 . 1 . . . A 80 LEU HG . 18411 1 1002 . 1 1 80 80 LEU HD11 H 1 1.064 0.008 . 2 . . . A 80 LEU HD11 . 18411 1 1003 . 1 1 80 80 LEU HD12 H 1 1.064 0.008 . 2 . . . A 80 LEU HD12 . 18411 1 1004 . 1 1 80 80 LEU HD13 H 1 1.064 0.008 . 2 . . . A 80 LEU HD13 . 18411 1 1005 . 1 1 80 80 LEU HD21 H 1 1.029 0.004 . 2 . . . A 80 LEU HD21 . 18411 1 1006 . 1 1 80 80 LEU HD22 H 1 1.029 0.004 . 2 . . . A 80 LEU HD22 . 18411 1 1007 . 1 1 80 80 LEU HD23 H 1 1.029 0.004 . 2 . . . A 80 LEU HD23 . 18411 1 1008 . 1 1 80 80 LEU C C 13 177.847 0.014 . 1 . . . A 80 LEU C . 18411 1 1009 . 1 1 80 80 LEU CA C 13 59.188 0.073 . 1 . . . A 80 LEU CA . 18411 1 1010 . 1 1 80 80 LEU CB C 13 42.001 0.078 . 1 . . . A 80 LEU CB . 18411 1 1011 . 1 1 80 80 LEU CG C 13 27.313 0.050 . 1 . . . A 80 LEU CG . 18411 1 1012 . 1 1 80 80 LEU CD1 C 13 23.976 0.006 . 2 . . . A 80 LEU CD1 . 18411 1 1013 . 1 1 80 80 LEU CD2 C 13 25.749 0.039 . 2 . . . A 80 LEU CD2 . 18411 1 1014 . 1 1 80 80 LEU N N 15 122.209 0.019 . 1 . . . A 80 LEU N . 18411 1 1015 . 1 1 81 81 GLU H H 1 9.534 0.002 . 1 . . . A 81 GLU H . 18411 1 1016 . 1 1 81 81 GLU HA H 1 3.999 0.004 . 1 . . . A 81 GLU HA . 18411 1 1017 . 1 1 81 81 GLU HB2 H 1 2.072 0.005 . 1 . . . A 81 GLU HB2 . 18411 1 1018 . 1 1 81 81 GLU HB3 H 1 2.072 0.005 . 1 . . . A 81 GLU HB3 . 18411 1 1019 . 1 1 81 81 GLU HG2 H 1 2.361 0.003 . 1 . . . A 81 GLU HG2 . 18411 1 1020 . 1 1 81 81 GLU HG3 H 1 2.361 0.002 . 1 . . . A 81 GLU HG3 . 18411 1 1021 . 1 1 81 81 GLU C C 13 180.044 0.003 . 1 . . . A 81 GLU C . 18411 1 1022 . 1 1 81 81 GLU CA C 13 60.552 0.057 . 1 . . . A 81 GLU CA . 18411 1 1023 . 1 1 81 81 GLU CB C 13 28.723 0.042 . 1 . . . A 81 GLU CB . 18411 1 1024 . 1 1 81 81 GLU CG C 13 36.320 0.011 . 1 . . . A 81 GLU CG . 18411 1 1025 . 1 1 81 81 GLU N N 15 115.361 0.022 . 1 . . . A 81 GLU N . 18411 1 1026 . 1 1 82 82 LYS H H 1 7.332 0.001 . 1 . . . A 82 LYS H . 18411 1 1027 . 1 1 82 82 LYS HA H 1 4.183 0.004 . 1 . . . A 82 LYS HA . 18411 1 1028 . 1 1 82 82 LYS HB2 H 1 1.975 0.007 . 2 . . . A 82 LYS HB2 . 18411 1 1029 . 1 1 82 82 LYS HB3 H 1 1.753 0.008 . 2 . . . A 82 LYS HB3 . 18411 1 1030 . 1 1 82 82 LYS HG2 H 1 1.579 0.007 . 2 . . . A 82 LYS HG2 . 18411 1 1031 . 1 1 82 82 LYS HG3 H 1 1.479 0.007 . 2 . . . A 82 LYS HG3 . 18411 1 1032 . 1 1 82 82 LYS HD2 H 1 1.691 0.004 . 1 . . . A 82 LYS HD2 . 18411 1 1033 . 1 1 82 82 LYS HD3 H 1 1.691 0.004 . 1 . . . A 82 LYS HD3 . 18411 1 1034 . 1 1 82 82 LYS HE2 H 1 3.003 0.008 . 1 . . . A 82 LYS HE2 . 18411 1 1035 . 1 1 82 82 LYS HE3 H 1 3.003 0.008 . 1 . . . A 82 LYS HE3 . 18411 1 1036 . 1 1 82 82 LYS C C 13 179.226 0.006 . 1 . . . A 82 LYS C . 18411 1 1037 . 1 1 82 82 LYS CA C 13 58.248 0.078 . 1 . . . A 82 LYS CA . 18411 1 1038 . 1 1 82 82 LYS CB C 13 32.912 0.030 . 1 . . . A 82 LYS CB . 18411 1 1039 . 1 1 82 82 LYS CG C 13 25.369 0.033 . 1 . . . A 82 LYS CG . 18411 1 1040 . 1 1 82 82 LYS CD C 13 28.983 0.050 . 1 . . . A 82 LYS CD . 18411 1 1041 . 1 1 82 82 LYS CE C 13 41.950 0.050 . 1 . . . A 82 LYS CE . 18411 1 1042 . 1 1 82 82 LYS N N 15 118.582 0.013 . 1 . . . A 82 LYS N . 18411 1 1043 . 1 1 83 83 VAL H H 1 7.743 0.001 . 1 . . . A 83 VAL H . 18411 1 1044 . 1 1 83 83 VAL HA H 1 3.554 0.006 . 1 . . . A 83 VAL HA . 18411 1 1045 . 1 1 83 83 VAL HB H 1 2.026 0.007 . 1 . . . A 83 VAL HB . 18411 1 1046 . 1 1 83 83 VAL HG11 H 1 0.793 0.005 . 2 . . . A 83 VAL HG11 . 18411 1 1047 . 1 1 83 83 VAL HG12 H 1 0.793 0.005 . 2 . . . A 83 VAL HG12 . 18411 1 1048 . 1 1 83 83 VAL HG13 H 1 0.793 0.005 . 2 . . . A 83 VAL HG13 . 18411 1 1049 . 1 1 83 83 VAL HG21 H 1 0.847 0.005 . 2 . . . A 83 VAL HG21 . 18411 1 1050 . 1 1 83 83 VAL HG22 H 1 0.847 0.005 . 2 . . . A 83 VAL HG22 . 18411 1 1051 . 1 1 83 83 VAL HG23 H 1 0.847 0.005 . 2 . . . A 83 VAL HG23 . 18411 1 1052 . 1 1 83 83 VAL C C 13 178.331 0.005 . 1 . . . A 83 VAL C . 18411 1 1053 . 1 1 83 83 VAL CA C 13 67.063 0.071 . 1 . . . A 83 VAL CA . 18411 1 1054 . 1 1 83 83 VAL CB C 13 31.497 0.034 . 1 . . . A 83 VAL CB . 18411 1 1055 . 1 1 83 83 VAL CG1 C 13 22.832 0.019 . 2 . . . A 83 VAL CG1 . 18411 1 1056 . 1 1 83 83 VAL CG2 C 13 22.883 0.014 . 2 . . . A 83 VAL CG2 . 18411 1 1057 . 1 1 83 83 VAL N N 15 122.971 0.010 . 1 . . . A 83 VAL N . 18411 1 1058 . 1 1 84 84 LEU H H 1 8.706 0.002 . 1 . . . A 84 LEU H . 18411 1 1059 . 1 1 84 84 LEU HA H 1 4.030 0.006 . 1 . . . A 84 LEU HA . 18411 1 1060 . 1 1 84 84 LEU HB2 H 1 1.848 0.005 . 2 . . . A 84 LEU HB2 . 18411 1 1061 . 1 1 84 84 LEU HB3 H 1 1.457 0.006 . 2 . . . A 84 LEU HB3 . 18411 1 1062 . 1 1 84 84 LEU HG H 1 1.731 0.005 . 1 . . . A 84 LEU HG . 18411 1 1063 . 1 1 84 84 LEU HD11 H 1 0.917 0.008 . 2 . . . A 84 LEU HD11 . 18411 1 1064 . 1 1 84 84 LEU HD12 H 1 0.917 0.008 . 2 . . . A 84 LEU HD12 . 18411 1 1065 . 1 1 84 84 LEU HD13 H 1 0.917 0.008 . 2 . . . A 84 LEU HD13 . 18411 1 1066 . 1 1 84 84 LEU HD21 H 1 0.887 0.007 . 2 . . . A 84 LEU HD21 . 18411 1 1067 . 1 1 84 84 LEU HD22 H 1 0.887 0.007 . 2 . . . A 84 LEU HD22 . 18411 1 1068 . 1 1 84 84 LEU HD23 H 1 0.887 0.007 . 2 . . . A 84 LEU HD23 . 18411 1 1069 . 1 1 84 84 LEU C C 13 180.647 0.002 . 1 . . . A 84 LEU C . 18411 1 1070 . 1 1 84 84 LEU CA C 13 57.975 0.066 . 1 . . . A 84 LEU CA . 18411 1 1071 . 1 1 84 84 LEU CB C 13 42.010 0.039 . 1 . . . A 84 LEU CB . 18411 1 1072 . 1 1 84 84 LEU CG C 13 27.023 0.027 . 1 . . . A 84 LEU CG . 18411 1 1073 . 1 1 84 84 LEU CD1 C 13 25.863 0.005 . 2 . . . A 84 LEU CD1 . 18411 1 1074 . 1 1 84 84 LEU CD2 C 13 22.495 0.019 . 2 . . . A 84 LEU CD2 . 18411 1 1075 . 1 1 84 84 LEU N N 15 119.209 0.030 . 1 . . . A 84 LEU N . 18411 1 1076 . 1 1 85 85 ALA H H 1 7.440 0.002 . 1 . . . A 85 ALA H . 18411 1 1077 . 1 1 85 85 ALA HA H 1 4.198 0.005 . 1 . . . A 85 ALA HA . 18411 1 1078 . 1 1 85 85 ALA HB1 H 1 1.563 0.004 . 1 . . . A 85 ALA HB1 . 18411 1 1079 . 1 1 85 85 ALA HB2 H 1 1.563 0.004 . 1 . . . A 85 ALA HB2 . 18411 1 1080 . 1 1 85 85 ALA HB3 H 1 1.563 0.004 . 1 . . . A 85 ALA HB3 . 18411 1 1081 . 1 1 85 85 ALA C C 13 180.253 0.004 . 1 . . . A 85 ALA C . 18411 1 1082 . 1 1 85 85 ALA CA C 13 54.947 0.079 . 1 . . . A 85 ALA CA . 18411 1 1083 . 1 1 85 85 ALA CB C 13 17.973 0.059 . 1 . . . A 85 ALA CB . 18411 1 1084 . 1 1 85 85 ALA N N 15 120.801 0.033 . 1 . . . A 85 ALA N . 18411 1 1085 . 1 1 86 86 PHE H H 1 8.040 0.002 . 1 . . . A 86 PHE H . 18411 1 1086 . 1 1 86 86 PHE HA H 1 4.905 0.004 . 1 . . . A 86 PHE HA . 18411 1 1087 . 1 1 86 86 PHE HB2 H 1 3.311 0.010 . 2 . . . A 86 PHE HB2 . 18411 1 1088 . 1 1 86 86 PHE HB3 H 1 3.467 0.009 . 2 . . . A 86 PHE HB3 . 18411 1 1089 . 1 1 86 86 PHE HD1 H 1 7.170 0.004 . 3 . . . A 86 PHE HD1 . 18411 1 1090 . 1 1 86 86 PHE HD2 H 1 7.170 0.004 . 3 . . . A 86 PHE HD2 . 18411 1 1091 . 1 1 86 86 PHE HE1 H 1 6.984 0.009 . 3 . . . A 86 PHE HE1 . 18411 1 1092 . 1 1 86 86 PHE HE2 H 1 6.984 0.009 . 3 . . . A 86 PHE HE2 . 18411 1 1093 . 1 1 86 86 PHE HZ H 1 6.907 0.007 . 1 . . . A 86 PHE HZ . 18411 1 1094 . 1 1 86 86 PHE C C 13 179.015 0.037 . 1 . . . A 86 PHE C . 18411 1 1095 . 1 1 86 86 PHE CA C 13 56.648 0.057 . 1 . . . A 86 PHE CA . 18411 1 1096 . 1 1 86 86 PHE CB C 13 39.249 0.061 . 1 . . . A 86 PHE CB . 18411 1 1097 . 1 1 86 86 PHE CD1 C 13 130.648 0.072 . 3 . . . A 86 PHE CD1 . 18411 1 1098 . 1 1 86 86 PHE CD2 C 13 130.648 0.072 . 3 . . . A 86 PHE CD2 . 18411 1 1099 . 1 1 86 86 PHE CE1 C 13 131.272 0.049 . 3 . . . A 86 PHE CE1 . 18411 1 1100 . 1 1 86 86 PHE CE2 C 13 131.272 0.049 . 3 . . . A 86 PHE CE2 . 18411 1 1101 . 1 1 86 86 PHE N N 15 123.035 0.010 . 1 . . . A 86 PHE N . 18411 1 1102 . 1 1 87 87 ALA H H 1 8.453 0.002 . 1 . . . A 87 ALA H . 18411 1 1103 . 1 1 87 87 ALA HA H 1 3.480 0.006 . 1 . . . A 87 ALA HA . 18411 1 1104 . 1 1 87 87 ALA HB1 H 1 1.284 0.005 . 1 . . . A 87 ALA HB1 . 18411 1 1105 . 1 1 87 87 ALA HB2 H 1 1.284 0.005 . 1 . . . A 87 ALA HB2 . 18411 1 1106 . 1 1 87 87 ALA HB3 H 1 1.284 0.005 . 1 . . . A 87 ALA HB3 . 18411 1 1107 . 1 1 87 87 ALA C C 13 179.800 0.006 . 1 . . . A 87 ALA C . 18411 1 1108 . 1 1 87 87 ALA CA C 13 55.183 0.066 . 1 . . . A 87 ALA CA . 18411 1 1109 . 1 1 87 87 ALA CB C 13 17.602 0.026 . 1 . . . A 87 ALA CB . 18411 1 1110 . 1 1 87 87 ALA N N 15 123.932 0.012 . 1 . . . A 87 ALA N . 18411 1 1111 . 1 1 88 88 LYS H H 1 7.664 0.003 . 1 . . . A 88 LYS H . 18411 1 1112 . 1 1 88 88 LYS HA H 1 4.030 0.004 . 1 . . . A 88 LYS HA . 18411 1 1113 . 1 1 88 88 LYS HB2 H 1 1.925 0.005 . 1 . . . A 88 LYS HB2 . 18411 1 1114 . 1 1 88 88 LYS HB3 H 1 1.925 0.005 . 1 . . . A 88 LYS HB3 . 18411 1 1115 . 1 1 88 88 LYS HG2 H 1 1.532 0.006 . 2 . . . A 88 LYS HG2 . 18411 1 1116 . 1 1 88 88 LYS HG3 H 1 1.453 0.007 . 2 . . . A 88 LYS HG3 . 18411 1 1117 . 1 1 88 88 LYS HD2 H 1 1.694 0.007 . 1 . . . A 88 LYS HD2 . 18411 1 1118 . 1 1 88 88 LYS HD3 H 1 1.694 0.007 . 1 . . . A 88 LYS HD3 . 18411 1 1119 . 1 1 88 88 LYS HE2 H 1 2.970 0.009 . 1 . . . A 88 LYS HE2 . 18411 1 1120 . 1 1 88 88 LYS HE3 H 1 2.970 0.009 . 1 . . . A 88 LYS HE3 . 18411 1 1121 . 1 1 88 88 LYS C C 13 179.562 0.025 . 1 . . . A 88 LYS C . 18411 1 1122 . 1 1 88 88 LYS CA C 13 59.063 0.077 . 1 . . . A 88 LYS CA . 18411 1 1123 . 1 1 88 88 LYS CB C 13 32.466 0.064 . 1 . . . A 88 LYS CB . 18411 1 1124 . 1 1 88 88 LYS CG C 13 24.897 0.010 . 1 . . . A 88 LYS CG . 18411 1 1125 . 1 1 88 88 LYS CD C 13 29.516 0.052 . 1 . . . A 88 LYS CD . 18411 1 1126 . 1 1 88 88 LYS CE C 13 41.536 0.050 . 1 . . . A 88 LYS CE . 18411 1 1127 . 1 1 88 88 LYS N N 15 116.535 0.026 . 1 . . . A 88 LYS N . 18411 1 1128 . 1 1 89 89 SER H H 1 8.417 0.003 . 1 . . . A 89 SER H . 18411 1 1129 . 1 1 89 89 SER HA H 1 4.271 0.003 . 1 . . . A 89 SER HA . 18411 1 1130 . 1 1 89 89 SER HB2 H 1 4.128 0.004 . 1 . . . A 89 SER HB2 . 18411 1 1131 . 1 1 89 89 SER HB3 H 1 4.128 0.004 . 1 . . . A 89 SER HB3 . 18411 1 1132 . 1 1 89 89 SER C C 13 177.004 0.007 . 1 . . . A 89 SER C . 18411 1 1133 . 1 1 89 89 SER CA C 13 61.139 0.079 . 1 . . . A 89 SER CA . 18411 1 1134 . 1 1 89 89 SER CB C 13 63.327 0.039 . 1 . . . A 89 SER CB . 18411 1 1135 . 1 1 89 89 SER N N 15 113.619 0.021 . 1 . . . A 89 SER N . 18411 1 1136 . 1 1 90 90 THR H H 1 7.710 0.001 . 1 . . . A 90 THR H . 18411 1 1137 . 1 1 90 90 THR HA H 1 4.287 0.003 . 1 . . . A 90 THR HA . 18411 1 1138 . 1 1 90 90 THR HB H 1 3.899 0.002 . 1 . . . A 90 THR HB . 18411 1 1139 . 1 1 90 90 THR HG1 H 1 3.269 0.010 . 1 . . . A 90 THR HG1 . 18411 1 1140 . 1 1 90 90 THR HG21 H 1 1.261 0.003 . 1 . . . A 90 THR HG21 . 18411 1 1141 . 1 1 90 90 THR HG22 H 1 1.261 0.003 . 1 . . . A 90 THR HG22 . 18411 1 1142 . 1 1 90 90 THR HG23 H 1 1.261 0.003 . 1 . . . A 90 THR HG23 . 18411 1 1143 . 1 1 90 90 THR C C 13 176.074 0.020 . 1 . . . A 90 THR C . 18411 1 1144 . 1 1 90 90 THR CA C 13 62.926 0.067 . 1 . . . A 90 THR CA . 18411 1 1145 . 1 1 90 90 THR CB C 13 70.563 0.047 . 1 . . . A 90 THR CB . 18411 1 1146 . 1 1 90 90 THR CG2 C 13 23.257 0.011 . 1 . . . A 90 THR CG2 . 18411 1 1147 . 1 1 90 90 THR N N 15 109.601 0.016 . 1 . . . A 90 THR N . 18411 1 1148 . 1 1 91 91 GLY H H 1 7.609 0.001 . 1 . . . A 91 GLY H . 18411 1 1149 . 1 1 91 91 GLY HA2 H 1 3.749 0.004 . 2 . . . A 91 GLY HA2 . 18411 1 1150 . 1 1 91 91 GLY HA3 H 1 3.926 0.004 . 2 . . . A 91 GLY HA3 . 18411 1 1151 . 1 1 91 91 GLY C C 13 174.815 0.008 . 1 . . . A 91 GLY C . 18411 1 1152 . 1 1 91 91 GLY CA C 13 46.042 0.111 . 1 . . . A 91 GLY CA . 18411 1 1153 . 1 1 91 91 GLY N N 15 110.243 0.019 . 1 . . . A 91 GLY N . 18411 1 1154 . 1 1 92 92 VAL H H 1 7.046 0.001 . 1 . . . A 92 VAL H . 18411 1 1155 . 1 1 92 92 VAL HA H 1 4.309 0.008 . 1 . . . A 92 VAL HA . 18411 1 1156 . 1 1 92 92 VAL HB H 1 1.718 0.006 . 1 . . . A 92 VAL HB . 18411 1 1157 . 1 1 92 92 VAL HG11 H 1 0.688 0.004 . 2 . . . A 92 VAL HG11 . 18411 1 1158 . 1 1 92 92 VAL HG12 H 1 0.688 0.004 . 2 . . . A 92 VAL HG12 . 18411 1 1159 . 1 1 92 92 VAL HG13 H 1 0.688 0.004 . 2 . . . A 92 VAL HG13 . 18411 1 1160 . 1 1 92 92 VAL HG21 H 1 0.138 0.003 . 2 . . . A 92 VAL HG21 . 18411 1 1161 . 1 1 92 92 VAL HG22 H 1 0.138 0.003 . 2 . . . A 92 VAL HG22 . 18411 1 1162 . 1 1 92 92 VAL HG23 H 1 0.138 0.003 . 2 . . . A 92 VAL HG23 . 18411 1 1163 . 1 1 92 92 VAL C C 13 178.372 0.010 . 1 . . . A 92 VAL C . 18411 1 1164 . 1 1 92 92 VAL CA C 13 60.696 0.070 . 1 . . . A 92 VAL CA . 18411 1 1165 . 1 1 92 92 VAL CB C 13 32.337 0.050 . 1 . . . A 92 VAL CB . 18411 1 1166 . 1 1 92 92 VAL CG1 C 13 22.269 0.013 . 2 . . . A 92 VAL CG1 . 18411 1 1167 . 1 1 92 92 VAL CG2 C 13 16.663 0.016 . 2 . . . A 92 VAL CG2 . 18411 1 1168 . 1 1 92 92 VAL N N 15 112.099 0.022 . 1 . . . A 92 VAL N . 18411 1 1169 . 1 1 93 93 THR H H 1 10.844 0.002 . 1 . . . A 93 THR H . 18411 1 1170 . 1 1 93 93 THR HA H 1 4.457 0.004 . 1 . . . A 93 THR HA . 18411 1 1171 . 1 1 93 93 THR HB H 1 4.585 0.003 . 1 . . . A 93 THR HB . 18411 1 1172 . 1 1 93 93 THR HG21 H 1 1.140 0.003 . 1 . . . A 93 THR HG21 . 18411 1 1173 . 1 1 93 93 THR HG22 H 1 1.140 0.003 . 1 . . . A 93 THR HG22 . 18411 1 1174 . 1 1 93 93 THR HG23 H 1 1.140 0.003 . 1 . . . A 93 THR HG23 . 18411 1 1175 . 1 1 93 93 THR C C 13 175.115 0.004 . 1 . . . A 93 THR C . 18411 1 1176 . 1 1 93 93 THR CA C 13 61.280 0.098 . 1 . . . A 93 THR CA . 18411 1 1177 . 1 1 93 93 THR CB C 13 70.314 0.060 . 1 . . . A 93 THR CB . 18411 1 1178 . 1 1 93 93 THR CG2 C 13 20.970 0.027 . 1 . . . A 93 THR CG2 . 18411 1 1179 . 1 1 93 93 THR N N 15 114.289 0.029 . 1 . . . A 93 THR N . 18411 1 1180 . 1 1 94 94 TYR H H 1 6.391 0.002 . 1 . . . A 94 TYR H . 18411 1 1181 . 1 1 94 94 TYR HA H 1 3.740 0.004 . 1 . . . A 94 TYR HA . 18411 1 1182 . 1 1 94 94 TYR HB2 H 1 0.636 0.006 . 2 . . . A 94 TYR HB2 . 18411 1 1183 . 1 1 94 94 TYR HB3 H 1 1.714 0.010 . 2 . . . A 94 TYR HB3 . 18411 1 1184 . 1 1 94 94 TYR HD1 H 1 6.841 0.006 . 3 . . . A 94 TYR HD1 . 18411 1 1185 . 1 1 94 94 TYR HD2 H 1 6.841 0.006 . 3 . . . A 94 TYR HD2 . 18411 1 1186 . 1 1 94 94 TYR HE1 H 1 6.500 0.008 . 3 . . . A 94 TYR HE1 . 18411 1 1187 . 1 1 94 94 TYR HE2 H 1 6.500 0.008 . 3 . . . A 94 TYR HE2 . 18411 1 1188 . 1 1 94 94 TYR C C 13 171.563 0.050 . 1 . . . A 94 TYR C . 18411 1 1189 . 1 1 94 94 TYR CA C 13 53.080 0.022 . 1 . . . A 94 TYR CA . 18411 1 1190 . 1 1 94 94 TYR CB C 13 34.195 0.030 . 1 . . . A 94 TYR CB . 18411 1 1191 . 1 1 94 94 TYR CD1 C 13 134.883 0.034 . 3 . . . A 94 TYR CD1 . 18411 1 1192 . 1 1 94 94 TYR CD2 C 13 134.883 0.034 . 3 . . . A 94 TYR CD2 . 18411 1 1193 . 1 1 94 94 TYR CE1 C 13 118.021 0.050 . 3 . . . A 94 TYR CE1 . 18411 1 1194 . 1 1 94 94 TYR CE2 C 13 118.021 0.050 . 3 . . . A 94 TYR CE2 . 18411 1 1195 . 1 1 94 94 TYR N N 15 122.050 0.016 . 1 . . . A 94 TYR N . 18411 1 1196 . 1 1 95 95 PRO HA H 1 4.105 0.004 . 1 . . . A 95 PRO HA . 18411 1 1197 . 1 1 95 95 PRO HB2 H 1 2.017 0.007 . 2 . . . A 95 PRO HB2 . 18411 1 1198 . 1 1 95 95 PRO HB3 H 1 2.271 0.005 . 2 . . . A 95 PRO HB3 . 18411 1 1199 . 1 1 95 95 PRO HG2 H 1 2.189 0.007 . 2 . . . A 95 PRO HG2 . 18411 1 1200 . 1 1 95 95 PRO HG3 H 1 1.917 0.013 . 2 . . . A 95 PRO HG3 . 18411 1 1201 . 1 1 95 95 PRO HD2 H 1 3.379 0.009 . 2 . . . A 95 PRO HD2 . 18411 1 1202 . 1 1 95 95 PRO HD3 H 1 3.117 0.004 . 2 . . . A 95 PRO HD3 . 18411 1 1203 . 1 1 95 95 PRO C C 13 175.152 0.002 . 1 . . . A 95 PRO C . 18411 1 1204 . 1 1 95 95 PRO CA C 13 63.799 0.065 . 1 . . . A 95 PRO CA . 18411 1 1205 . 1 1 95 95 PRO CB C 13 32.919 0.079 . 1 . . . A 95 PRO CB . 18411 1 1206 . 1 1 95 95 PRO CG C 13 27.878 0.037 . 1 . . . A 95 PRO CG . 18411 1 1207 . 1 1 95 95 PRO CD C 13 50.518 0.017 . 1 . . . A 95 PRO CD . 18411 1 1208 . 1 1 96 96 LEU H H 1 8.256 0.004 . 1 . . . A 96 LEU H . 18411 1 1209 . 1 1 96 96 LEU HA H 1 5.143 0.004 . 1 . . . A 96 LEU HA . 18411 1 1210 . 1 1 96 96 LEU HB2 H 1 1.402 0.004 . 2 . . . A 96 LEU HB2 . 18411 1 1211 . 1 1 96 96 LEU HB3 H 1 1.042 0.004 . 2 . . . A 96 LEU HB3 . 18411 1 1212 . 1 1 96 96 LEU HG H 1 1.398 0.002 . 1 . . . A 96 LEU HG . 18411 1 1213 . 1 1 96 96 LEU HD11 H 1 0.540 0.005 . 2 . . . A 96 LEU HD11 . 18411 1 1214 . 1 1 96 96 LEU HD12 H 1 0.540 0.005 . 2 . . . A 96 LEU HD12 . 18411 1 1215 . 1 1 96 96 LEU HD13 H 1 0.540 0.005 . 2 . . . A 96 LEU HD13 . 18411 1 1216 . 1 1 96 96 LEU HD21 H 1 0.453 0.004 . 2 . . . A 96 LEU HD21 . 18411 1 1217 . 1 1 96 96 LEU HD22 H 1 0.453 0.004 . 2 . . . A 96 LEU HD22 . 18411 1 1218 . 1 1 96 96 LEU HD23 H 1 0.453 0.004 . 2 . . . A 96 LEU HD23 . 18411 1 1219 . 1 1 96 96 LEU C C 13 176.072 0.004 . 1 . . . A 96 LEU C . 18411 1 1220 . 1 1 96 96 LEU CA C 13 52.794 0.063 . 1 . . . A 96 LEU CA . 18411 1 1221 . 1 1 96 96 LEU CB C 13 45.567 0.014 . 1 . . . A 96 LEU CB . 18411 1 1222 . 1 1 96 96 LEU CG C 13 27.118 0.050 . 1 . . . A 96 LEU CG . 18411 1 1223 . 1 1 96 96 LEU CD1 C 13 24.877 0.038 . 2 . . . A 96 LEU CD1 . 18411 1 1224 . 1 1 96 96 LEU CD2 C 13 25.791 0.007 . 2 . . . A 96 LEU CD2 . 18411 1 1225 . 1 1 96 96 LEU N N 15 122.325 0.062 . 1 . . . A 96 LEU N . 18411 1 1226 . 1 1 97 97 GLY H H 1 9.177 0.002 . 1 . . . A 97 GLY H . 18411 1 1227 . 1 1 97 97 GLY HA2 H 1 3.390 0.006 . 2 . . . A 97 GLY HA2 . 18411 1 1228 . 1 1 97 97 GLY HA3 H 1 5.059 0.008 . 2 . . . A 97 GLY HA3 . 18411 1 1229 . 1 1 97 97 GLY C C 13 171.546 0.004 . 1 . . . A 97 GLY C . 18411 1 1230 . 1 1 97 97 GLY CA C 13 44.069 0.057 . 1 . . . A 97 GLY CA . 18411 1 1231 . 1 1 97 97 GLY N N 15 107.295 0.022 . 1 . . . A 97 GLY N . 18411 1 1232 . 1 1 98 98 LEU H H 1 8.106 0.003 . 1 . . . A 98 LEU H . 18411 1 1233 . 1 1 98 98 LEU HA H 1 4.872 0.006 . 1 . . . A 98 LEU HA . 18411 1 1234 . 1 1 98 98 LEU HB2 H 1 1.863 0.007 . 2 . . . A 98 LEU HB2 . 18411 1 1235 . 1 1 98 98 LEU HB3 H 1 1.691 0.007 . 2 . . . A 98 LEU HB3 . 18411 1 1236 . 1 1 98 98 LEU HG H 1 1.749 0.006 . 1 . . . A 98 LEU HG . 18411 1 1237 . 1 1 98 98 LEU HD11 H 1 0.977 0.003 . 2 . . . A 98 LEU HD11 . 18411 1 1238 . 1 1 98 98 LEU HD12 H 1 0.977 0.003 . 2 . . . A 98 LEU HD12 . 18411 1 1239 . 1 1 98 98 LEU HD13 H 1 0.977 0.003 . 2 . . . A 98 LEU HD13 . 18411 1 1240 . 1 1 98 98 LEU HD21 H 1 0.915 0.005 . 2 . . . A 98 LEU HD21 . 18411 1 1241 . 1 1 98 98 LEU HD22 H 1 0.915 0.005 . 2 . . . A 98 LEU HD22 . 18411 1 1242 . 1 1 98 98 LEU HD23 H 1 0.915 0.005 . 2 . . . A 98 LEU HD23 . 18411 1 1243 . 1 1 98 98 LEU C C 13 176.132 0.003 . 1 . . . A 98 LEU C . 18411 1 1244 . 1 1 98 98 LEU CA C 13 54.460 0.082 . 1 . . . A 98 LEU CA . 18411 1 1245 . 1 1 98 98 LEU CB C 13 43.567 0.031 . 1 . . . A 98 LEU CB . 18411 1 1246 . 1 1 98 98 LEU CG C 13 28.341 0.027 . 1 . . . A 98 LEU CG . 18411 1 1247 . 1 1 98 98 LEU CD1 C 13 25.551 0.017 . 2 . . . A 98 LEU CD1 . 18411 1 1248 . 1 1 98 98 LEU CD2 C 13 23.867 0.011 . 2 . . . A 98 LEU CD2 . 18411 1 1249 . 1 1 98 98 LEU N N 15 118.550 0.066 . 1 . . . A 98 LEU N . 18411 1 1250 . 1 1 99 99 ASP H H 1 8.481 0.002 . 1 . . . A 99 ASP H . 18411 1 1251 . 1 1 99 99 ASP HA H 1 5.403 0.003 . 1 . . . A 99 ASP HA . 18411 1 1252 . 1 1 99 99 ASP HB2 H 1 2.212 0.009 . 2 . . . A 99 ASP HB2 . 18411 1 1253 . 1 1 99 99 ASP HB3 H 1 3.284 0.005 . 2 . . . A 99 ASP HB3 . 18411 1 1254 . 1 1 99 99 ASP C C 13 175.069 0.050 . 1 . . . A 99 ASP C . 18411 1 1255 . 1 1 99 99 ASP CA C 13 51.057 0.037 . 1 . . . A 99 ASP CA . 18411 1 1256 . 1 1 99 99 ASP CB C 13 42.069 0.028 . 1 . . . A 99 ASP CB . 18411 1 1257 . 1 1 99 99 ASP N N 15 118.061 0.022 . 1 . . . A 99 ASP N . 18411 1 1258 . 1 1 100 100 PRO HA H 1 4.564 0.004 . 1 . . . A 100 PRO HA . 18411 1 1259 . 1 1 100 100 PRO HB2 H 1 2.374 0.003 . 2 . . . A 100 PRO HB2 . 18411 1 1260 . 1 1 100 100 PRO HB3 H 1 2.130 0.003 . 2 . . . A 100 PRO HB3 . 18411 1 1261 . 1 1 100 100 PRO HG2 H 1 2.285 0.004 . 2 . . . A 100 PRO HG2 . 18411 1 1262 . 1 1 100 100 PRO HG3 H 1 2.193 0.005 . 2 . . . A 100 PRO HG3 . 18411 1 1263 . 1 1 100 100 PRO HD2 H 1 4.075 0.003 . 2 . . . A 100 PRO HD2 . 18411 1 1264 . 1 1 100 100 PRO HD3 H 1 3.513 0.002 . 2 . . . A 100 PRO HD3 . 18411 1 1265 . 1 1 100 100 PRO C C 13 179.600 0.002 . 1 . . . A 100 PRO C . 18411 1 1266 . 1 1 100 100 PRO CA C 13 64.020 0.055 . 1 . . . A 100 PRO CA . 18411 1 1267 . 1 1 100 100 PRO CB C 13 31.455 0.025 . 1 . . . A 100 PRO CB . 18411 1 1268 . 1 1 100 100 PRO CG C 13 27.777 0.026 . 1 . . . A 100 PRO CG . 18411 1 1269 . 1 1 100 100 PRO CD C 13 51.207 0.014 . 1 . . . A 100 PRO CD . 18411 1 1270 . 1 1 101 101 GLY H H 1 9.045 0.002 . 1 . . . A 101 GLY H . 18411 1 1271 . 1 1 101 101 GLY HA2 H 1 3.646 0.003 . 2 . . . A 101 GLY HA2 . 18411 1 1272 . 1 1 101 101 GLY HA3 H 1 4.094 0.005 . 2 . . . A 101 GLY HA3 . 18411 1 1273 . 1 1 101 101 GLY C C 13 173.600 0.010 . 1 . . . A 101 GLY C . 18411 1 1274 . 1 1 101 101 GLY CA C 13 46.175 0.158 . 1 . . . A 101 GLY CA . 18411 1 1275 . 1 1 101 101 GLY N N 15 114.780 0.033 . 1 . . . A 101 GLY N . 18411 1 1276 . 1 1 102 102 ALA H H 1 8.257 0.002 . 1 . . . A 102 ALA H . 18411 1 1277 . 1 1 102 102 ALA HA H 1 4.376 0.008 . 1 . . . A 102 ALA HA . 18411 1 1278 . 1 1 102 102 ALA HB1 H 1 1.538 0.004 . 1 . . . A 102 ALA HB1 . 18411 1 1279 . 1 1 102 102 ALA HB2 H 1 1.538 0.004 . 1 . . . A 102 ALA HB2 . 18411 1 1280 . 1 1 102 102 ALA HB3 H 1 1.538 0.004 . 1 . . . A 102 ALA HB3 . 18411 1 1281 . 1 1 102 102 ALA C C 13 175.955 0.017 . 1 . . . A 102 ALA C . 18411 1 1282 . 1 1 102 102 ALA CA C 13 52.693 0.073 . 1 . . . A 102 ALA CA . 18411 1 1283 . 1 1 102 102 ALA CB C 13 18.256 0.022 . 1 . . . A 102 ALA CB . 18411 1 1284 . 1 1 102 102 ALA N N 15 117.089 0.028 . 1 . . . A 102 ALA N . 18411 1 1285 . 1 1 103 103 ASP H H 1 6.739 0.002 . 1 . . . A 103 ASP H . 18411 1 1286 . 1 1 103 103 ASP HA H 1 4.444 0.004 . 1 . . . A 103 ASP HA . 18411 1 1287 . 1 1 103 103 ASP HB2 H 1 2.727 0.005 . 2 . . . A 103 ASP HB2 . 18411 1 1288 . 1 1 103 103 ASP HB3 H 1 2.951 0.005 . 2 . . . A 103 ASP HB3 . 18411 1 1289 . 1 1 103 103 ASP C C 13 179.021 0.002 . 1 . . . A 103 ASP C . 18411 1 1290 . 1 1 103 103 ASP CA C 13 57.935 0.083 . 1 . . . A 103 ASP CA . 18411 1 1291 . 1 1 103 103 ASP CB C 13 41.368 0.033 . 1 . . . A 103 ASP CB . 18411 1 1292 . 1 1 103 103 ASP N N 15 118.691 0.018 . 1 . . . A 103 ASP N . 18411 1 1293 . 1 1 104 104 ILE H H 1 11.476 0.002 . 1 . . . A 104 ILE H . 18411 1 1294 . 1 1 104 104 ILE HA H 1 3.682 0.005 . 1 . . . A 104 ILE HA . 18411 1 1295 . 1 1 104 104 ILE HB H 1 1.588 0.008 . 1 . . . A 104 ILE HB . 18411 1 1296 . 1 1 104 104 ILE HG12 H 1 1.820 0.008 . 2 . . . A 104 ILE HG12 . 18411 1 1297 . 1 1 104 104 ILE HG13 H 1 0.682 0.009 . 2 . . . A 104 ILE HG13 . 18411 1 1298 . 1 1 104 104 ILE HG21 H 1 0.120 0.005 . 1 . . . A 104 ILE HG21 . 18411 1 1299 . 1 1 104 104 ILE HG22 H 1 0.120 0.005 . 1 . . . A 104 ILE HG22 . 18411 1 1300 . 1 1 104 104 ILE HG23 H 1 0.120 0.005 . 1 . . . A 104 ILE HG23 . 18411 1 1301 . 1 1 104 104 ILE HD11 H 1 0.890 0.005 . 1 . . . A 104 ILE HD11 . 18411 1 1302 . 1 1 104 104 ILE HD12 H 1 0.890 0.005 . 1 . . . A 104 ILE HD12 . 18411 1 1303 . 1 1 104 104 ILE HD13 H 1 0.890 0.005 . 1 . . . A 104 ILE HD13 . 18411 1 1304 . 1 1 104 104 ILE C C 13 179.321 0.076 . 1 . . . A 104 ILE C . 18411 1 1305 . 1 1 104 104 ILE CA C 13 66.522 0.066 . 1 . . . A 104 ILE CA . 18411 1 1306 . 1 1 104 104 ILE CB C 13 36.754 0.042 . 1 . . . A 104 ILE CB . 18411 1 1307 . 1 1 104 104 ILE CG1 C 13 29.539 0.023 . 1 . . . A 104 ILE CG1 . 18411 1 1308 . 1 1 104 104 ILE CG2 C 13 17.039 0.014 . 1 . . . A 104 ILE CG2 . 18411 1 1309 . 1 1 104 104 ILE CD1 C 13 14.199 0.009 . 1 . . . A 104 ILE CD1 . 18411 1 1310 . 1 1 104 104 ILE N N 15 126.075 0.018 . 1 . . . A 104 ILE N . 18411 1 1311 . 1 1 105 105 PHE H H 1 9.473 0.001 . 1 . . . A 105 PHE H . 18411 1 1312 . 1 1 105 105 PHE HA H 1 3.646 0.008 . 1 . . . A 105 PHE HA . 18411 1 1313 . 1 1 105 105 PHE HB2 H 1 3.479 0.007 . 2 . . . A 105 PHE HB2 . 18411 1 1314 . 1 1 105 105 PHE HB3 H 1 2.909 0.008 . 2 . . . A 105 PHE HB3 . 18411 1 1315 . 1 1 105 105 PHE HD1 H 1 6.925 0.010 . 3 . . . A 105 PHE HD1 . 18411 1 1316 . 1 1 105 105 PHE HD2 H 1 6.925 0.010 . 3 . . . A 105 PHE HD2 . 18411 1 1317 . 1 1 105 105 PHE HE1 H 1 7.358 0.008 . 3 . . . A 105 PHE HE1 . 18411 1 1318 . 1 1 105 105 PHE HE2 H 1 7.358 0.008 . 3 . . . A 105 PHE HE2 . 18411 1 1319 . 1 1 105 105 PHE HZ H 1 6.892 0.001 . 1 . . . A 105 PHE HZ . 18411 1 1320 . 1 1 105 105 PHE C C 13 177.818 0.011 . 1 . . . A 105 PHE C . 18411 1 1321 . 1 1 105 105 PHE CA C 13 62.948 0.079 . 1 . . . A 105 PHE CA . 18411 1 1322 . 1 1 105 105 PHE CB C 13 38.350 0.051 . 1 . . . A 105 PHE CB . 18411 1 1323 . 1 1 105 105 PHE CD1 C 13 132.234 0.060 . 3 . . . A 105 PHE CD1 . 18411 1 1324 . 1 1 105 105 PHE CD2 C 13 132.234 0.060 . 3 . . . A 105 PHE CD2 . 18411 1 1325 . 1 1 105 105 PHE CE1 C 13 132.004 0.050 . 3 . . . A 105 PHE CE1 . 18411 1 1326 . 1 1 105 105 PHE CE2 C 13 132.004 0.050 . 3 . . . A 105 PHE CE2 . 18411 1 1327 . 1 1 105 105 PHE CZ C 13 129.699 0.019 . 1 . . . A 105 PHE CZ . 18411 1 1328 . 1 1 105 105 PHE N N 15 124.513 0.015 . 1 . . . A 105 PHE N . 18411 1 1329 . 1 1 106 106 ALA H H 1 8.418 0.002 . 1 . . . A 106 ALA H . 18411 1 1330 . 1 1 106 106 ALA HA H 1 4.927 0.005 . 1 . . . A 106 ALA HA . 18411 1 1331 . 1 1 106 106 ALA HB1 H 1 1.636 0.004 . 1 . . . A 106 ALA HB1 . 18411 1 1332 . 1 1 106 106 ALA HB2 H 1 1.636 0.004 . 1 . . . A 106 ALA HB2 . 18411 1 1333 . 1 1 106 106 ALA HB3 H 1 1.636 0.004 . 1 . . . A 106 ALA HB3 . 18411 1 1334 . 1 1 106 106 ALA C C 13 179.271 0.024 . 1 . . . A 106 ALA C . 18411 1 1335 . 1 1 106 106 ALA CA C 13 52.672 0.064 . 1 . . . A 106 ALA CA . 18411 1 1336 . 1 1 106 106 ALA CB C 13 19.093 0.023 . 1 . . . A 106 ALA CB . 18411 1 1337 . 1 1 106 106 ALA N N 15 115.835 0.024 . 1 . . . A 106 ALA N . 18411 1 1338 . 1 1 107 107 LYS H H 1 8.106 0.002 . 1 . . . A 107 LYS H . 18411 1 1339 . 1 1 107 107 LYS HA H 1 4.145 0.004 . 1 . . . A 107 LYS HA . 18411 1 1340 . 1 1 107 107 LYS HB2 H 1 1.663 0.011 . 2 . . . A 107 LYS HB2 . 18411 1 1341 . 1 1 107 107 LYS HB3 H 1 2.272 0.007 . 2 . . . A 107 LYS HB3 . 18411 1 1342 . 1 1 107 107 LYS HG2 H 1 2.079 0.006 . 2 . . . A 107 LYS HG2 . 18411 1 1343 . 1 1 107 107 LYS HG3 H 1 1.560 0.006 . 2 . . . A 107 LYS HG3 . 18411 1 1344 . 1 1 107 107 LYS HD2 H 1 1.909 0.006 . 2 . . . A 107 LYS HD2 . 18411 1 1345 . 1 1 107 107 LYS HD3 H 1 1.770 0.005 . 2 . . . A 107 LYS HD3 . 18411 1 1346 . 1 1 107 107 LYS HE2 H 1 3.332 0.002 . 2 . . . A 107 LYS HE2 . 18411 1 1347 . 1 1 107 107 LYS HE3 H 1 3.141 0.003 . 2 . . . A 107 LYS HE3 . 18411 1 1348 . 1 1 107 107 LYS C C 13 176.006 0.016 . 1 . . . A 107 LYS C . 18411 1 1349 . 1 1 107 107 LYS CA C 13 57.980 0.079 . 1 . . . A 107 LYS CA . 18411 1 1350 . 1 1 107 107 LYS CB C 13 33.041 0.078 . 1 . . . A 107 LYS CB . 18411 1 1351 . 1 1 107 107 LYS CG C 13 25.808 0.031 . 1 . . . A 107 LYS CG . 18411 1 1352 . 1 1 107 107 LYS CD C 13 30.044 0.030 . 1 . . . A 107 LYS CD . 18411 1 1353 . 1 1 107 107 LYS CE C 13 42.523 0.025 . 1 . . . A 107 LYS CE . 18411 1 1354 . 1 1 107 107 LYS N N 15 116.823 0.022 . 1 . . . A 107 LYS N . 18411 1 1355 . 1 1 108 108 TYR H H 1 7.811 0.002 . 1 . . . A 108 TYR H . 18411 1 1356 . 1 1 108 108 TYR HA H 1 4.311 0.005 . 1 . . . A 108 TYR HA . 18411 1 1357 . 1 1 108 108 TYR HB2 H 1 2.518 0.004 . 1 . . . A 108 TYR HB2 . 18411 1 1358 . 1 1 108 108 TYR HB3 H 1 2.517 0.004 . 1 . . . A 108 TYR HB3 . 18411 1 1359 . 1 1 108 108 TYR HD1 H 1 7.309 0.007 . 3 . . . A 108 TYR HD1 . 18411 1 1360 . 1 1 108 108 TYR HD2 H 1 7.309 0.007 . 3 . . . A 108 TYR HD2 . 18411 1 1361 . 1 1 108 108 TYR HE1 H 1 6.741 0.007 . 3 . . . A 108 TYR HE1 . 18411 1 1362 . 1 1 108 108 TYR HE2 H 1 6.741 0.007 . 3 . . . A 108 TYR HE2 . 18411 1 1363 . 1 1 108 108 TYR C C 13 176.010 0.050 . 1 . . . A 108 TYR C . 18411 1 1364 . 1 1 108 108 TYR CA C 13 59.270 0.070 . 1 . . . A 108 TYR CA . 18411 1 1365 . 1 1 108 108 TYR CB C 13 40.965 0.023 . 1 . . . A 108 TYR CB . 18411 1 1366 . 1 1 108 108 TYR CD1 C 13 133.501 0.056 . 3 . . . A 108 TYR CD1 . 18411 1 1367 . 1 1 108 108 TYR CD2 C 13 133.501 0.056 . 3 . . . A 108 TYR CD2 . 18411 1 1368 . 1 1 108 108 TYR CE1 C 13 119.805 0.024 . 3 . . . A 108 TYR CE1 . 18411 1 1369 . 1 1 108 108 TYR CE2 C 13 119.805 0.024 . 3 . . . A 108 TYR CE2 . 18411 1 1370 . 1 1 108 108 TYR N N 15 114.793 0.019 . 1 . . . A 108 TYR N . 18411 1 1371 . 1 1 109 109 ALA H H 1 8.595 0.004 . 1 . . . A 109 ALA H . 18411 1 1372 . 1 1 109 109 ALA HA H 1 4.760 0.005 . 1 . . . A 109 ALA HA . 18411 1 1373 . 1 1 109 109 ALA HB1 H 1 0.163 0.003 . 1 . . . A 109 ALA HB1 . 18411 1 1374 . 1 1 109 109 ALA HB2 H 1 0.163 0.003 . 1 . . . A 109 ALA HB2 . 18411 1 1375 . 1 1 109 109 ALA HB3 H 1 0.163 0.003 . 1 . . . A 109 ALA HB3 . 18411 1 1376 . 1 1 109 109 ALA C C 13 174.711 0.016 . 1 . . . A 109 ALA C . 18411 1 1377 . 1 1 109 109 ALA CA C 13 50.276 0.065 . 1 . . . A 109 ALA CA . 18411 1 1378 . 1 1 109 109 ALA CB C 13 21.924 0.009 . 1 . . . A 109 ALA CB . 18411 1 1379 . 1 1 109 109 ALA N N 15 125.709 0.016 . 1 . . . A 109 ALA N . 18411 1 1380 . 1 1 110 110 LEU H H 1 7.814 0.002 . 1 . . . A 110 LEU H . 18411 1 1381 . 1 1 110 110 LEU HA H 1 4.137 0.006 . 1 . . . A 110 LEU HA . 18411 1 1382 . 1 1 110 110 LEU HB2 H 1 1.629 0.008 . 2 . . . A 110 LEU HB2 . 18411 1 1383 . 1 1 110 110 LEU HB3 H 1 1.590 0.001 . 2 . . . A 110 LEU HB3 . 18411 1 1384 . 1 1 110 110 LEU HG H 1 1.589 0.005 . 1 . . . A 110 LEU HG . 18411 1 1385 . 1 1 110 110 LEU HD11 H 1 0.874 0.002 . 2 . . . A 110 LEU HD11 . 18411 1 1386 . 1 1 110 110 LEU HD12 H 1 0.874 0.002 . 2 . . . A 110 LEU HD12 . 18411 1 1387 . 1 1 110 110 LEU HD13 H 1 0.874 0.002 . 2 . . . A 110 LEU HD13 . 18411 1 1388 . 1 1 110 110 LEU HD21 H 1 0.931 0.007 . 2 . . . A 110 LEU HD21 . 18411 1 1389 . 1 1 110 110 LEU HD22 H 1 0.931 0.007 . 2 . . . A 110 LEU HD22 . 18411 1 1390 . 1 1 110 110 LEU HD23 H 1 0.931 0.007 . 2 . . . A 110 LEU HD23 . 18411 1 1391 . 1 1 110 110 LEU C C 13 179.153 0.006 . 1 . . . A 110 LEU C . 18411 1 1392 . 1 1 110 110 LEU CA C 13 55.164 0.090 . 1 . . . A 110 LEU CA . 18411 1 1393 . 1 1 110 110 LEU CB C 13 42.292 0.055 . 1 . . . A 110 LEU CB . 18411 1 1394 . 1 1 110 110 LEU CG C 13 27.320 0.050 . 1 . . . A 110 LEU CG . 18411 1 1395 . 1 1 110 110 LEU CD1 C 13 22.783 0.013 . 2 . . . A 110 LEU CD1 . 18411 1 1396 . 1 1 110 110 LEU CD2 C 13 25.852 0.004 . 2 . . . A 110 LEU CD2 . 18411 1 1397 . 1 1 110 110 LEU N N 15 117.834 0.027 . 1 . . . A 110 LEU N . 18411 1 1398 . 1 1 111 111 ARG H H 1 8.655 0.003 . 1 . . . A 111 ARG H . 18411 1 1399 . 1 1 111 111 ARG HA H 1 3.916 0.003 . 1 . . . A 111 ARG HA . 18411 1 1400 . 1 1 111 111 ARG HB2 H 1 1.845 0.004 . 1 . . . A 111 ARG HB2 . 18411 1 1401 . 1 1 111 111 ARG HB3 H 1 1.845 0.004 . 1 . . . A 111 ARG HB3 . 18411 1 1402 . 1 1 111 111 ARG HG2 H 1 1.928 0.005 . 2 . . . A 111 ARG HG2 . 18411 1 1403 . 1 1 111 111 ARG HG3 H 1 1.735 0.005 . 2 . . . A 111 ARG HG3 . 18411 1 1404 . 1 1 111 111 ARG HD2 H 1 3.346 0.004 . 2 . . . A 111 ARG HD2 . 18411 1 1405 . 1 1 111 111 ARG HD3 H 1 3.235 0.002 . 2 . . . A 111 ARG HD3 . 18411 1 1406 . 1 1 111 111 ARG C C 13 176.962 0.001 . 1 . . . A 111 ARG C . 18411 1 1407 . 1 1 111 111 ARG CA C 13 60.538 0.050 . 1 . . . A 111 ARG CA . 18411 1 1408 . 1 1 111 111 ARG CB C 13 30.424 0.038 . 1 . . . A 111 ARG CB . 18411 1 1409 . 1 1 111 111 ARG CG C 13 29.939 0.017 . 1 . . . A 111 ARG CG . 18411 1 1410 . 1 1 111 111 ARG CD C 13 43.038 0.031 . 1 . . . A 111 ARG CD . 18411 1 1411 . 1 1 111 111 ARG N N 15 119.787 0.030 . 1 . . . A 111 ARG N . 18411 1 1412 . 1 1 112 112 ASP H H 1 8.205 0.002 . 1 . . . A 112 ASP H . 18411 1 1413 . 1 1 112 112 ASP HA H 1 4.662 0.004 . 1 . . . A 112 ASP HA . 18411 1 1414 . 1 1 112 112 ASP HB2 H 1 2.610 0.005 . 2 . . . A 112 ASP HB2 . 18411 1 1415 . 1 1 112 112 ASP HB3 H 1 2.819 0.003 . 2 . . . A 112 ASP HB3 . 18411 1 1416 . 1 1 112 112 ASP C C 13 176.387 0.050 . 1 . . . A 112 ASP C . 18411 1 1417 . 1 1 112 112 ASP CA C 13 52.833 0.102 . 1 . . . A 112 ASP CA . 18411 1 1418 . 1 1 112 112 ASP CB C 13 40.135 0.052 . 1 . . . A 112 ASP CB . 18411 1 1419 . 1 1 112 112 ASP N N 15 113.338 0.028 . 1 . . . A 112 ASP N . 18411 1 1420 . 1 1 113 113 ALA H H 1 7.919 0.001 . 1 . . . A 113 ALA H . 18411 1 1421 . 1 1 113 113 ALA HA H 1 4.347 0.006 . 1 . . . A 113 ALA HA . 18411 1 1422 . 1 1 113 113 ALA HB1 H 1 1.582 0.005 . 1 . . . A 113 ALA HB1 . 18411 1 1423 . 1 1 113 113 ALA HB2 H 1 1.582 0.005 . 1 . . . A 113 ALA HB2 . 18411 1 1424 . 1 1 113 113 ALA HB3 H 1 1.582 0.005 . 1 . . . A 113 ALA HB3 . 18411 1 1425 . 1 1 113 113 ALA C C 13 177.740 0.050 . 1 . . . A 113 ALA C . 18411 1 1426 . 1 1 113 113 ALA CA C 13 51.983 0.042 . 1 . . . A 113 ALA CA . 18411 1 1427 . 1 1 113 113 ALA CB C 13 20.558 0.027 . 1 . . . A 113 ALA CB . 18411 1 1428 . 1 1 113 113 ALA N N 15 122.885 0.025 . 1 . . . A 113 ALA N . 18411 1 1429 . 1 1 114 114 GLY HA2 H 1 4.143 0.009 . 2 . . . A 114 GLY HA2 . 18411 1 1430 . 1 1 114 114 GLY HA3 H 1 3.907 0.004 . 2 . . . A 114 GLY HA3 . 18411 1 1431 . 1 1 114 114 GLY CA C 13 45.480 0.016 . 1 . . . A 114 GLY CA . 18411 1 1432 . 1 1 115 115 ILE H H 1 8.253 0.002 . 1 . . . A 115 ILE H . 18411 1 1433 . 1 1 115 115 ILE HA H 1 4.119 0.004 . 1 . . . A 115 ILE HA . 18411 1 1434 . 1 1 115 115 ILE HB H 1 1.634 0.005 . 1 . . . A 115 ILE HB . 18411 1 1435 . 1 1 115 115 ILE HG12 H 1 1.045 0.004 . 2 . . . A 115 ILE HG12 . 18411 1 1436 . 1 1 115 115 ILE HG13 H 1 0.959 0.007 . 2 . . . A 115 ILE HG13 . 18411 1 1437 . 1 1 115 115 ILE HG21 H 1 0.849 0.006 . 1 . . . A 115 ILE HG21 . 18411 1 1438 . 1 1 115 115 ILE HG22 H 1 0.849 0.006 . 1 . . . A 115 ILE HG22 . 18411 1 1439 . 1 1 115 115 ILE HG23 H 1 0.849 0.006 . 1 . . . A 115 ILE HG23 . 18411 1 1440 . 1 1 115 115 ILE HD11 H 1 0.729 0.004 . 1 . . . A 115 ILE HD11 . 18411 1 1441 . 1 1 115 115 ILE HD12 H 1 0.729 0.004 . 1 . . . A 115 ILE HD12 . 18411 1 1442 . 1 1 115 115 ILE HD13 H 1 0.729 0.004 . 1 . . . A 115 ILE HD13 . 18411 1 1443 . 1 1 115 115 ILE CA C 13 60.788 0.050 . 1 . . . A 115 ILE CA . 18411 1 1444 . 1 1 115 115 ILE CB C 13 39.651 0.032 . 1 . . . A 115 ILE CB . 18411 1 1445 . 1 1 115 115 ILE CG1 C 13 29.641 0.003 . 1 . . . A 115 ILE CG1 . 18411 1 1446 . 1 1 115 115 ILE CG2 C 13 20.374 0.018 . 1 . . . A 115 ILE CG2 . 18411 1 1447 . 1 1 115 115 ILE CD1 C 13 16.583 0.007 . 1 . . . A 115 ILE CD1 . 18411 1 1448 . 1 1 115 115 ILE N N 15 122.165 0.038 . 1 . . . A 115 ILE N . 18411 1 1449 . 1 1 116 116 THR H H 1 7.033 0.001 . 1 . . . A 116 THR H . 18411 1 1450 . 1 1 116 116 THR HA H 1 4.101 0.006 . 1 . . . A 116 THR HA . 18411 1 1451 . 1 1 116 116 THR HB H 1 3.948 0.015 . 1 . . . A 116 THR HB . 18411 1 1452 . 1 1 116 116 THR HG21 H 1 1.281 0.004 . 1 . . . A 116 THR HG21 . 18411 1 1453 . 1 1 116 116 THR HG22 H 1 1.281 0.004 . 1 . . . A 116 THR HG22 . 18411 1 1454 . 1 1 116 116 THR HG23 H 1 1.281 0.004 . 1 . . . A 116 THR HG23 . 18411 1 1455 . 1 1 116 116 THR CA C 13 62.947 0.019 . 1 . . . A 116 THR CA . 18411 1 1456 . 1 1 116 116 THR CB C 13 69.031 0.018 . 1 . . . A 116 THR CB . 18411 1 1457 . 1 1 116 116 THR CG2 C 13 22.055 0.013 . 1 . . . A 116 THR CG2 . 18411 1 1458 . 1 1 116 116 THR N N 15 110.198 0.030 . 1 . . . A 116 THR N . 18411 1 1459 . 1 1 117 117 ARG H H 1 8.250 0.006 . 1 . . . A 117 ARG H . 18411 1 1460 . 1 1 117 117 ARG HA H 1 4.997 0.010 . 1 . . . A 117 ARG HA . 18411 1 1461 . 1 1 117 117 ARG HB2 H 1 2.346 0.005 . 2 . . . A 117 ARG HB2 . 18411 1 1462 . 1 1 117 117 ARG HB3 H 1 2.040 0.027 . 2 . . . A 117 ARG HB3 . 18411 1 1463 . 1 1 117 117 ARG HG2 H 1 1.901 0.010 . 2 . . . A 117 ARG HG2 . 18411 1 1464 . 1 1 117 117 ARG HG3 H 1 1.568 0.009 . 2 . . . A 117 ARG HG3 . 18411 1 1465 . 1 1 117 117 ARG HD2 H 1 2.527 0.010 . 2 . . . A 117 ARG HD2 . 18411 1 1466 . 1 1 117 117 ARG HD3 H 1 2.171 0.002 . 2 . . . A 117 ARG HD3 . 18411 1 1467 . 1 1 117 117 ARG C C 13 173.296 0.017 . 1 . . . A 117 ARG C . 18411 1 1468 . 1 1 117 117 ARG CA C 13 56.468 0.062 . 1 . . . A 117 ARG CA . 18411 1 1469 . 1 1 117 117 ARG CB C 13 31.949 0.050 . 1 . . . A 117 ARG CB . 18411 1 1470 . 1 1 117 117 ARG CD C 13 43.279 0.050 . 1 . . . A 117 ARG CD . 18411 1 1471 . 1 1 117 117 ARG N N 15 130.624 0.078 . 1 . . . A 117 ARG N . 18411 1 1472 . 1 1 118 118 ASN H H 1 7.730 0.003 . 1 . . . A 118 ASN H . 18411 1 1473 . 1 1 118 118 ASN HA H 1 6.127 0.008 . 1 . . . A 118 ASN HA . 18411 1 1474 . 1 1 118 118 ASN HB2 H 1 3.078 0.007 . 2 . . . A 118 ASN HB2 . 18411 1 1475 . 1 1 118 118 ASN HB3 H 1 2.377 0.006 . 2 . . . A 118 ASN HB3 . 18411 1 1476 . 1 1 118 118 ASN HD21 H 1 7.112 0.002 . 1 . . . A 118 ASN HD21 . 18411 1 1477 . 1 1 118 118 ASN HD22 H 1 6.323 0.002 . 1 . . . A 118 ASN HD22 . 18411 1 1478 . 1 1 118 118 ASN C C 13 173.805 0.007 . 1 . . . A 118 ASN C . 18411 1 1479 . 1 1 118 118 ASN CA C 13 51.759 0.066 . 1 . . . A 118 ASN CA . 18411 1 1480 . 1 1 118 118 ASN CB C 13 41.892 0.034 . 1 . . . A 118 ASN CB . 18411 1 1481 . 1 1 118 118 ASN N N 15 118.226 0.023 . 1 . . . A 118 ASN N . 18411 1 1482 . 1 1 118 118 ASN ND2 N 15 112.414 0.065 . 1 . . . A 118 ASN ND2 . 18411 1 1483 . 1 1 119 119 VAL H H 1 9.269 0.002 . 1 . . . A 119 VAL H . 18411 1 1484 . 1 1 119 119 VAL HA H 1 4.766 0.005 . 1 . . . A 119 VAL HA . 18411 1 1485 . 1 1 119 119 VAL HB H 1 1.973 0.008 . 1 . . . A 119 VAL HB . 18411 1 1486 . 1 1 119 119 VAL HG11 H 1 1.197 0.006 . 2 . . . A 119 VAL HG11 . 18411 1 1487 . 1 1 119 119 VAL HG12 H 1 1.197 0.006 . 2 . . . A 119 VAL HG12 . 18411 1 1488 . 1 1 119 119 VAL HG13 H 1 1.197 0.006 . 2 . . . A 119 VAL HG13 . 18411 1 1489 . 1 1 119 119 VAL HG21 H 1 1.133 0.008 . 2 . . . A 119 VAL HG21 . 18411 1 1490 . 1 1 119 119 VAL HG22 H 1 1.133 0.008 . 2 . . . A 119 VAL HG22 . 18411 1 1491 . 1 1 119 119 VAL HG23 H 1 1.133 0.008 . 2 . . . A 119 VAL HG23 . 18411 1 1492 . 1 1 119 119 VAL C C 13 173.809 0.008 . 1 . . . A 119 VAL C . 18411 1 1493 . 1 1 119 119 VAL CA C 13 60.808 0.055 . 1 . . . A 119 VAL CA . 18411 1 1494 . 1 1 119 119 VAL CB C 13 35.887 0.030 . 1 . . . A 119 VAL CB . 18411 1 1495 . 1 1 119 119 VAL CG1 C 13 21.075 0.017 . 2 . . . A 119 VAL CG1 . 18411 1 1496 . 1 1 119 119 VAL CG2 C 13 21.487 0.029 . 2 . . . A 119 VAL CG2 . 18411 1 1497 . 1 1 119 119 VAL N N 15 120.477 0.017 . 1 . . . A 119 VAL N . 18411 1 1498 . 1 1 120 120 LEU H H 1 8.829 0.002 . 1 . . . A 120 LEU H . 18411 1 1499 . 1 1 120 120 LEU HA H 1 5.350 0.005 . 1 . . . A 120 LEU HA . 18411 1 1500 . 1 1 120 120 LEU HB2 H 1 1.878 0.010 . 2 . . . A 120 LEU HB2 . 18411 1 1501 . 1 1 120 120 LEU HB3 H 1 0.980 0.012 . 2 . . . A 120 LEU HB3 . 18411 1 1502 . 1 1 120 120 LEU HG H 1 1.288 0.006 . 1 . . . A 120 LEU HG . 18411 1 1503 . 1 1 120 120 LEU HD11 H 1 0.882 0.007 . 2 . . . A 120 LEU HD11 . 18411 1 1504 . 1 1 120 120 LEU HD12 H 1 0.882 0.007 . 2 . . . A 120 LEU HD12 . 18411 1 1505 . 1 1 120 120 LEU HD13 H 1 0.882 0.007 . 2 . . . A 120 LEU HD13 . 18411 1 1506 . 1 1 120 120 LEU HD21 H 1 0.810 0.006 . 2 . . . A 120 LEU HD21 . 18411 1 1507 . 1 1 120 120 LEU HD22 H 1 0.810 0.006 . 2 . . . A 120 LEU HD22 . 18411 1 1508 . 1 1 120 120 LEU HD23 H 1 0.810 0.006 . 2 . . . A 120 LEU HD23 . 18411 1 1509 . 1 1 120 120 LEU C C 13 174.606 0.008 . 1 . . . A 120 LEU C . 18411 1 1510 . 1 1 120 120 LEU CA C 13 53.563 0.033 . 1 . . . A 120 LEU CA . 18411 1 1511 . 1 1 120 120 LEU CB C 13 46.211 0.037 . 1 . . . A 120 LEU CB . 18411 1 1512 . 1 1 120 120 LEU CG C 13 27.510 0.050 . 1 . . . A 120 LEU CG . 18411 1 1513 . 1 1 120 120 LEU CD1 C 13 23.318 0.025 . 2 . . . A 120 LEU CD1 . 18411 1 1514 . 1 1 120 120 LEU CD2 C 13 26.190 0.010 . 2 . . . A 120 LEU CD2 . 18411 1 1515 . 1 1 120 120 LEU N N 15 128.017 0.050 . 1 . . . A 120 LEU N . 18411 1 1516 . 1 1 121 121 ILE H H 1 9.659 0.001 . 1 . . . A 121 ILE H . 18411 1 1517 . 1 1 121 121 ILE HA H 1 4.799 0.005 . 1 . . . A 121 ILE HA . 18411 1 1518 . 1 1 121 121 ILE HB H 1 1.824 0.006 . 1 . . . A 121 ILE HB . 18411 1 1519 . 1 1 121 121 ILE HG12 H 1 1.592 0.011 . 2 . . . A 121 ILE HG12 . 18411 1 1520 . 1 1 121 121 ILE HG13 H 1 0.691 0.009 . 2 . . . A 121 ILE HG13 . 18411 1 1521 . 1 1 121 121 ILE HG21 H 1 1.036 0.006 . 1 . . . A 121 ILE HG21 . 18411 1 1522 . 1 1 121 121 ILE HG22 H 1 1.036 0.006 . 1 . . . A 121 ILE HG22 . 18411 1 1523 . 1 1 121 121 ILE HG23 H 1 1.036 0.006 . 1 . . . A 121 ILE HG23 . 18411 1 1524 . 1 1 121 121 ILE HD11 H 1 0.830 0.004 . 1 . . . A 121 ILE HD11 . 18411 1 1525 . 1 1 121 121 ILE HD12 H 1 0.830 0.004 . 1 . . . A 121 ILE HD12 . 18411 1 1526 . 1 1 121 121 ILE HD13 H 1 0.830 0.004 . 1 . . . A 121 ILE HD13 . 18411 1 1527 . 1 1 121 121 ILE C C 13 174.731 0.014 . 1 . . . A 121 ILE C . 18411 1 1528 . 1 1 121 121 ILE CA C 13 60.450 0.045 . 1 . . . A 121 ILE CA . 18411 1 1529 . 1 1 121 121 ILE CB C 13 41.651 0.048 . 1 . . . A 121 ILE CB . 18411 1 1530 . 1 1 121 121 ILE CG1 C 13 29.585 0.007 . 1 . . . A 121 ILE CG1 . 18411 1 1531 . 1 1 121 121 ILE CG2 C 13 17.113 0.009 . 1 . . . A 121 ILE CG2 . 18411 1 1532 . 1 1 121 121 ILE CD1 C 13 15.377 0.006 . 1 . . . A 121 ILE CD1 . 18411 1 1533 . 1 1 121 121 ILE N N 15 131.629 0.012 . 1 . . . A 121 ILE N . 18411 1 1534 . 1 1 122 122 ASP H H 1 9.128 0.002 . 1 . . . A 122 ASP H . 18411 1 1535 . 1 1 122 122 ASP HA H 1 4.513 0.003 . 1 . . . A 122 ASP HA . 18411 1 1536 . 1 1 122 122 ASP HB2 H 1 3.511 0.005 . 2 . . . A 122 ASP HB2 . 18411 1 1537 . 1 1 122 122 ASP HB3 H 1 2.639 0.005 . 2 . . . A 122 ASP HB3 . 18411 1 1538 . 1 1 122 122 ASP C C 13 177.586 0.003 . 1 . . . A 122 ASP C . 18411 1 1539 . 1 1 122 122 ASP CA C 13 52.442 0.047 . 1 . . . A 122 ASP CA . 18411 1 1540 . 1 1 122 122 ASP CB C 13 41.476 0.019 . 1 . . . A 122 ASP CB . 18411 1 1541 . 1 1 122 122 ASP N N 15 124.197 0.022 . 1 . . . A 122 ASP N . 18411 1 1542 . 1 1 123 123 ARG H H 1 7.870 0.002 . 1 . . . A 123 ARG H . 18411 1 1543 . 1 1 123 123 ARG HA H 1 4.186 0.003 . 1 . . . A 123 ARG HA . 18411 1 1544 . 1 1 123 123 ARG HB2 H 1 1.709 0.015 . 2 . . . A 123 ARG HB2 . 18411 1 1545 . 1 1 123 123 ARG HB3 H 1 1.570 0.014 . 2 . . . A 123 ARG HB3 . 18411 1 1546 . 1 1 123 123 ARG HG2 H 1 1.145 0.011 . 1 . . . A 123 ARG HG2 . 18411 1 1547 . 1 1 123 123 ARG HG3 H 1 1.145 0.011 . 1 . . . A 123 ARG HG3 . 18411 1 1548 . 1 1 123 123 ARG HD2 H 1 3.077 0.010 . 2 . . . A 123 ARG HD2 . 18411 1 1549 . 1 1 123 123 ARG HD3 H 1 2.964 0.006 . 2 . . . A 123 ARG HD3 . 18411 1 1550 . 1 1 123 123 ARG C C 13 178.717 0.015 . 1 . . . A 123 ARG C . 18411 1 1551 . 1 1 123 123 ARG CA C 13 58.243 0.064 . 1 . . . A 123 ARG CA . 18411 1 1552 . 1 1 123 123 ARG CB C 13 30.783 0.006 . 1 . . . A 123 ARG CB . 18411 1 1553 . 1 1 123 123 ARG CG C 13 29.442 0.050 . 1 . . . A 123 ARG CG . 18411 1 1554 . 1 1 123 123 ARG CD C 13 43.677 0.010 . 1 . . . A 123 ARG CD . 18411 1 1555 . 1 1 123 123 ARG N N 15 113.396 0.041 . 1 . . . A 123 ARG N . 18411 1 1556 . 1 1 124 124 GLU H H 1 8.155 0.004 . 1 . . . A 124 GLU H . 18411 1 1557 . 1 1 124 124 GLU HA H 1 4.310 0.002 . 1 . . . A 124 GLU HA . 18411 1 1558 . 1 1 124 124 GLU HB2 H 1 2.229 0.009 . 2 . . . A 124 GLU HB2 . 18411 1 1559 . 1 1 124 124 GLU HB3 H 1 2.102 0.005 . 2 . . . A 124 GLU HB3 . 18411 1 1560 . 1 1 124 124 GLU HG2 H 1 2.222 0.002 . 1 . . . A 124 GLU HG2 . 18411 1 1561 . 1 1 124 124 GLU HG3 H 1 2.222 0.002 . 1 . . . A 124 GLU HG3 . 18411 1 1562 . 1 1 124 124 GLU C C 13 176.034 0.008 . 1 . . . A 124 GLU C . 18411 1 1563 . 1 1 124 124 GLU CA C 13 56.164 0.086 . 1 . . . A 124 GLU CA . 18411 1 1564 . 1 1 124 124 GLU CB C 13 30.541 0.033 . 1 . . . A 124 GLU CB . 18411 1 1565 . 1 1 124 124 GLU CG C 13 37.194 0.050 . 1 . . . A 124 GLU CG . 18411 1 1566 . 1 1 124 124 GLU N N 15 117.427 0.023 . 1 . . . A 124 GLU N . 18411 1 1567 . 1 1 125 125 GLY H H 1 8.094 0.002 . 1 . . . A 125 GLY H . 18411 1 1568 . 1 1 125 125 GLY HA2 H 1 3.360 0.005 . 2 . . . A 125 GLY HA2 . 18411 1 1569 . 1 1 125 125 GLY HA3 H 1 4.308 0.005 . 2 . . . A 125 GLY HA3 . 18411 1 1570 . 1 1 125 125 GLY C C 13 174.204 0.009 . 1 . . . A 125 GLY C . 18411 1 1571 . 1 1 125 125 GLY CA C 13 45.160 0.059 . 1 . . . A 125 GLY CA . 18411 1 1572 . 1 1 125 125 GLY N N 15 105.681 0.022 . 1 . . . A 125 GLY N . 18411 1 1573 . 1 1 126 126 LYS H H 1 8.502 0.002 . 1 . . . A 126 LYS H . 18411 1 1574 . 1 1 126 126 LYS HA H 1 4.647 0.007 . 1 . . . A 126 LYS HA . 18411 1 1575 . 1 1 126 126 LYS HB2 H 1 1.939 0.008 . 2 . . . A 126 LYS HB2 . 18411 1 1576 . 1 1 126 126 LYS HB3 H 1 1.384 0.006 . 2 . . . A 126 LYS HB3 . 18411 1 1577 . 1 1 126 126 LYS HG2 H 1 1.285 0.006 . 2 . . . A 126 LYS HG2 . 18411 1 1578 . 1 1 126 126 LYS HG3 H 1 1.195 0.007 . 2 . . . A 126 LYS HG3 . 18411 1 1579 . 1 1 126 126 LYS HD2 H 1 1.607 0.010 . 1 . . . A 126 LYS HD2 . 18411 1 1580 . 1 1 126 126 LYS HD3 H 1 1.608 0.010 . 1 . . . A 126 LYS HD3 . 18411 1 1581 . 1 1 126 126 LYS HE2 H 1 2.925 0.003 . 1 . . . A 126 LYS HE2 . 18411 1 1582 . 1 1 126 126 LYS HE3 H 1 2.925 0.003 . 1 . . . A 126 LYS HE3 . 18411 1 1583 . 1 1 126 126 LYS C C 13 176.390 0.002 . 1 . . . A 126 LYS C . 18411 1 1584 . 1 1 126 126 LYS CA C 13 55.393 0.060 . 1 . . . A 126 LYS CA . 18411 1 1585 . 1 1 126 126 LYS CB C 13 33.569 0.021 . 1 . . . A 126 LYS CB . 18411 1 1586 . 1 1 126 126 LYS CG C 13 25.751 0.032 . 1 . . . A 126 LYS CG . 18411 1 1587 . 1 1 126 126 LYS CD C 13 29.138 0.011 . 1 . . . A 126 LYS CD . 18411 1 1588 . 1 1 126 126 LYS CE C 13 41.892 0.028 . 1 . . . A 126 LYS CE . 18411 1 1589 . 1 1 126 126 LYS N N 15 122.326 0.012 . 1 . . . A 126 LYS N . 18411 1 1590 . 1 1 127 127 ILE H H 1 8.739 0.005 . 1 . . . A 127 ILE H . 18411 1 1591 . 1 1 127 127 ILE HA H 1 4.048 0.012 . 1 . . . A 127 ILE HA . 18411 1 1592 . 1 1 127 127 ILE HB H 1 2.028 0.008 . 1 . . . A 127 ILE HB . 18411 1 1593 . 1 1 127 127 ILE HG12 H 1 1.942 0.008 . 1 . . . A 127 ILE HG12 . 18411 1 1594 . 1 1 127 127 ILE HG13 H 1 1.944 0.008 . 1 . . . A 127 ILE HG13 . 18411 1 1595 . 1 1 127 127 ILE HG21 H 1 0.808 0.004 . 1 . . . A 127 ILE HG21 . 18411 1 1596 . 1 1 127 127 ILE HG22 H 1 0.808 0.004 . 1 . . . A 127 ILE HG22 . 18411 1 1597 . 1 1 127 127 ILE HG23 H 1 0.808 0.004 . 1 . . . A 127 ILE HG23 . 18411 1 1598 . 1 1 127 127 ILE HD11 H 1 0.957 0.007 . 1 . . . A 127 ILE HD11 . 18411 1 1599 . 1 1 127 127 ILE HD12 H 1 0.957 0.007 . 1 . . . A 127 ILE HD12 . 18411 1 1600 . 1 1 127 127 ILE HD13 H 1 0.957 0.007 . 1 . . . A 127 ILE HD13 . 18411 1 1601 . 1 1 127 127 ILE C C 13 177.735 0.011 . 1 . . . A 127 ILE C . 18411 1 1602 . 1 1 127 127 ILE CA C 13 63.200 0.077 . 1 . . . A 127 ILE CA . 18411 1 1603 . 1 1 127 127 ILE CB C 13 38.106 0.026 . 1 . . . A 127 ILE CB . 18411 1 1604 . 1 1 127 127 ILE CG1 C 13 29.423 0.050 . 1 . . . A 127 ILE CG1 . 18411 1 1605 . 1 1 127 127 ILE CG2 C 13 18.223 0.015 . 1 . . . A 127 ILE CG2 . 18411 1 1606 . 1 1 127 127 ILE CD1 C 13 14.309 0.005 . 1 . . . A 127 ILE CD1 . 18411 1 1607 . 1 1 127 127 ILE N N 15 121.946 0.029 . 1 . . . A 127 ILE N . 18411 1 1608 . 1 1 128 128 VAL H H 1 9.397 0.002 . 1 . . . A 128 VAL H . 18411 1 1609 . 1 1 128 128 VAL HA H 1 4.695 0.004 . 1 . . . A 128 VAL HA . 18411 1 1610 . 1 1 128 128 VAL HB H 1 2.204 0.004 . 1 . . . A 128 VAL HB . 18411 1 1611 . 1 1 128 128 VAL HG11 H 1 1.003 0.005 . 2 . . . A 128 VAL HG11 . 18411 1 1612 . 1 1 128 128 VAL HG12 H 1 1.003 0.005 . 2 . . . A 128 VAL HG12 . 18411 1 1613 . 1 1 128 128 VAL HG13 H 1 1.003 0.005 . 2 . . . A 128 VAL HG13 . 18411 1 1614 . 1 1 128 128 VAL HG21 H 1 0.813 0.004 . 2 . . . A 128 VAL HG21 . 18411 1 1615 . 1 1 128 128 VAL HG22 H 1 0.813 0.004 . 2 . . . A 128 VAL HG22 . 18411 1 1616 . 1 1 128 128 VAL HG23 H 1 0.813 0.004 . 2 . . . A 128 VAL HG23 . 18411 1 1617 . 1 1 128 128 VAL C C 13 175.968 0.007 . 1 . . . A 128 VAL C . 18411 1 1618 . 1 1 128 128 VAL CA C 13 61.535 0.052 . 1 . . . A 128 VAL CA . 18411 1 1619 . 1 1 128 128 VAL CB C 13 33.996 0.017 . 1 . . . A 128 VAL CB . 18411 1 1620 . 1 1 128 128 VAL CG1 C 13 22.508 0.013 . 2 . . . A 128 VAL CG1 . 18411 1 1621 . 1 1 128 128 VAL CG2 C 13 19.928 0.005 . 2 . . . A 128 VAL CG2 . 18411 1 1622 . 1 1 128 128 VAL N N 15 122.026 0.015 . 1 . . . A 128 VAL N . 18411 1 1623 . 1 1 129 129 LYS H H 1 7.708 0.001 . 1 . . . A 129 LYS H . 18411 1 1624 . 1 1 129 129 LYS HA H 1 4.359 0.005 . 1 . . . A 129 LYS HA . 18411 1 1625 . 1 1 129 129 LYS HB2 H 1 1.933 0.007 . 2 . . . A 129 LYS HB2 . 18411 1 1626 . 1 1 129 129 LYS HB3 H 1 1.592 0.009 . 2 . . . A 129 LYS HB3 . 18411 1 1627 . 1 1 129 129 LYS HG2 H 1 1.279 0.004 . 2 . . . A 129 LYS HG2 . 18411 1 1628 . 1 1 129 129 LYS HG3 H 1 1.578 0.007 . 2 . . . A 129 LYS HG3 . 18411 1 1629 . 1 1 129 129 LYS HD2 H 1 1.779 0.007 . 2 . . . A 129 LYS HD2 . 18411 1 1630 . 1 1 129 129 LYS HD3 H 1 1.608 0.005 . 2 . . . A 129 LYS HD3 . 18411 1 1631 . 1 1 129 129 LYS HE2 H 1 2.846 0.005 . 2 . . . A 129 LYS HE2 . 18411 1 1632 . 1 1 129 129 LYS HE3 H 1 2.923 0.004 . 2 . . . A 129 LYS HE3 . 18411 1 1633 . 1 1 129 129 LYS C C 13 172.896 0.016 . 1 . . . A 129 LYS C . 18411 1 1634 . 1 1 129 129 LYS CA C 13 57.322 0.071 . 1 . . . A 129 LYS CA . 18411 1 1635 . 1 1 129 129 LYS CB C 13 36.802 0.026 . 1 . . . A 129 LYS CB . 18411 1 1636 . 1 1 129 129 LYS CG C 13 25.536 0.032 . 1 . . . A 129 LYS CG . 18411 1 1637 . 1 1 129 129 LYS CD C 13 28.787 0.049 . 1 . . . A 129 LYS CD . 18411 1 1638 . 1 1 129 129 LYS CE C 13 41.538 0.025 . 1 . . . A 129 LYS CE . 18411 1 1639 . 1 1 129 129 LYS N N 15 121.635 0.014 . 1 . . . A 129 LYS N . 18411 1 1640 . 1 1 130 130 LEU H H 1 8.301 0.002 . 1 . . . A 130 LEU H . 18411 1 1641 . 1 1 130 130 LEU HA H 1 5.140 0.007 . 1 . . . A 130 LEU HA . 18411 1 1642 . 1 1 130 130 LEU HB2 H 1 1.480 0.012 . 2 . . . A 130 LEU HB2 . 18411 1 1643 . 1 1 130 130 LEU HB3 H 1 1.034 0.010 . 2 . . . A 130 LEU HB3 . 18411 1 1644 . 1 1 130 130 LEU HG H 1 1.159 0.004 . 1 . . . A 130 LEU HG . 18411 1 1645 . 1 1 130 130 LEU HD11 H 1 0.536 0.007 . 2 . . . A 130 LEU HD11 . 18411 1 1646 . 1 1 130 130 LEU HD12 H 1 0.536 0.007 . 2 . . . A 130 LEU HD12 . 18411 1 1647 . 1 1 130 130 LEU HD13 H 1 0.536 0.007 . 2 . . . A 130 LEU HD13 . 18411 1 1648 . 1 1 130 130 LEU HD21 H 1 0.335 0.005 . 2 . . . A 130 LEU HD21 . 18411 1 1649 . 1 1 130 130 LEU HD22 H 1 0.335 0.005 . 2 . . . A 130 LEU HD22 . 18411 1 1650 . 1 1 130 130 LEU HD23 H 1 0.335 0.005 . 2 . . . A 130 LEU HD23 . 18411 1 1651 . 1 1 130 130 LEU C C 13 176.956 0.005 . 1 . . . A 130 LEU C . 18411 1 1652 . 1 1 130 130 LEU CA C 13 53.572 0.095 . 1 . . . A 130 LEU CA . 18411 1 1653 . 1 1 130 130 LEU CB C 13 44.700 0.043 . 1 . . . A 130 LEU CB . 18411 1 1654 . 1 1 130 130 LEU CG C 13 25.740 0.050 . 1 . . . A 130 LEU CG . 18411 1 1655 . 1 1 130 130 LEU CD1 C 13 25.108 0.033 . 2 . . . A 130 LEU CD1 . 18411 1 1656 . 1 1 130 130 LEU CD2 C 13 25.598 0.007 . 2 . . . A 130 LEU CD2 . 18411 1 1657 . 1 1 130 130 LEU N N 15 126.219 0.016 . 1 . . . A 130 LEU N . 18411 1 1658 . 1 1 131 131 THR H H 1 9.298 0.004 . 1 . . . A 131 THR H . 18411 1 1659 . 1 1 131 131 THR HA H 1 5.136 0.002 . 1 . . . A 131 THR HA . 18411 1 1660 . 1 1 131 131 THR HB H 1 4.640 0.002 . 1 . . . A 131 THR HB . 18411 1 1661 . 1 1 131 131 THR HG21 H 1 1.192 0.004 . 1 . . . A 131 THR HG21 . 18411 1 1662 . 1 1 131 131 THR HG22 H 1 1.192 0.004 . 1 . . . A 131 THR HG22 . 18411 1 1663 . 1 1 131 131 THR HG23 H 1 1.192 0.004 . 1 . . . A 131 THR HG23 . 18411 1 1664 . 1 1 131 131 THR C C 13 175.492 0.050 . 1 . . . A 131 THR C . 18411 1 1665 . 1 1 131 131 THR CA C 13 61.033 0.038 . 1 . . . A 131 THR CA . 18411 1 1666 . 1 1 131 131 THR CB C 13 70.922 0.026 . 1 . . . A 131 THR CB . 18411 1 1667 . 1 1 131 131 THR CG2 C 13 21.528 0.017 . 1 . . . A 131 THR CG2 . 18411 1 1668 . 1 1 131 131 THR N N 15 113.484 0.029 . 1 . . . A 131 THR N . 18411 1 1669 . 1 1 132 132 ARG HA H 1 5.150 0.007 . 1 . . . A 132 ARG HA . 18411 1 1670 . 1 1 132 132 ARG HB2 H 1 1.971 0.007 . 2 . . . A 132 ARG HB2 . 18411 1 1671 . 1 1 132 132 ARG HB3 H 1 1.883 0.007 . 2 . . . A 132 ARG HB3 . 18411 1 1672 . 1 1 132 132 ARG HG2 H 1 1.635 0.005 . 2 . . . A 132 ARG HG2 . 18411 1 1673 . 1 1 132 132 ARG HG3 H 1 1.882 0.005 . 2 . . . A 132 ARG HG3 . 18411 1 1674 . 1 1 132 132 ARG HD2 H 1 3.450 0.002 . 2 . . . A 132 ARG HD2 . 18411 1 1675 . 1 1 132 132 ARG HD3 H 1 3.278 0.008 . 2 . . . A 132 ARG HD3 . 18411 1 1676 . 1 1 132 132 ARG CA C 13 55.585 0.030 . 1 . . . A 132 ARG CA . 18411 1 1677 . 1 1 132 132 ARG CB C 13 33.035 0.050 . 1 . . . A 132 ARG CB . 18411 1 1678 . 1 1 132 132 ARG CG C 13 27.872 0.029 . 1 . . . A 132 ARG CG . 18411 1 1679 . 1 1 132 132 ARG CD C 13 43.226 0.037 . 1 . . . A 132 ARG CD . 18411 1 1680 . 1 1 133 133 LEU H H 1 8.167 0.003 . 1 . . . A 133 LEU H . 18411 1 1681 . 1 1 133 133 LEU HA H 1 4.302 0.001 . 1 . . . A 133 LEU HA . 18411 1 1682 . 1 1 133 133 LEU HB2 H 1 1.694 0.005 . 2 . . . A 133 LEU HB2 . 18411 1 1683 . 1 1 133 133 LEU HB3 H 1 2.007 0.008 . 2 . . . A 133 LEU HB3 . 18411 1 1684 . 1 1 133 133 LEU HG H 1 1.755 0.007 . 1 . . . A 133 LEU HG . 18411 1 1685 . 1 1 133 133 LEU HD11 H 1 1.047 0.006 . 2 . . . A 133 LEU HD11 . 18411 1 1686 . 1 1 133 133 LEU HD12 H 1 1.047 0.006 . 2 . . . A 133 LEU HD12 . 18411 1 1687 . 1 1 133 133 LEU HD13 H 1 1.047 0.006 . 2 . . . A 133 LEU HD13 . 18411 1 1688 . 1 1 133 133 LEU HD21 H 1 0.986 0.005 . 2 . . . A 133 LEU HD21 . 18411 1 1689 . 1 1 133 133 LEU HD22 H 1 0.986 0.005 . 2 . . . A 133 LEU HD22 . 18411 1 1690 . 1 1 133 133 LEU HD23 H 1 0.986 0.005 . 2 . . . A 133 LEU HD23 . 18411 1 1691 . 1 1 133 133 LEU CA C 13 56.200 0.029 . 1 . . . A 133 LEU CA . 18411 1 1692 . 1 1 133 133 LEU CB C 13 41.616 0.003 . 1 . . . A 133 LEU CB . 18411 1 1693 . 1 1 133 133 LEU CG C 13 27.079 0.011 . 1 . . . A 133 LEU CG . 18411 1 1694 . 1 1 133 133 LEU CD1 C 13 25.281 0.068 . 2 . . . A 133 LEU CD1 . 18411 1 1695 . 1 1 133 133 LEU CD2 C 13 23.494 0.012 . 2 . . . A 133 LEU CD2 . 18411 1 1696 . 1 1 133 133 LEU N N 15 118.967 0.054 . 1 . . . A 133 LEU N . 18411 1 1697 . 1 1 134 134 TYR H H 1 7.805 0.003 . 1 . . . A 134 TYR H . 18411 1 1698 . 1 1 134 134 TYR HA H 1 4.963 0.010 . 1 . . . A 134 TYR HA . 18411 1 1699 . 1 1 134 134 TYR HB2 H 1 2.771 0.016 . 2 . . . A 134 TYR HB2 . 18411 1 1700 . 1 1 134 134 TYR HB3 H 1 2.736 0.010 . 2 . . . A 134 TYR HB3 . 18411 1 1701 . 1 1 134 134 TYR HD1 H 1 6.944 0.004 . 3 . . . A 134 TYR HD1 . 18411 1 1702 . 1 1 134 134 TYR HD2 H 1 6.944 0.004 . 3 . . . A 134 TYR HD2 . 18411 1 1703 . 1 1 134 134 TYR HE1 H 1 6.270 0.003 . 3 . . . A 134 TYR HE1 . 18411 1 1704 . 1 1 134 134 TYR HE2 H 1 6.270 0.003 . 3 . . . A 134 TYR HE2 . 18411 1 1705 . 1 1 134 134 TYR CA C 13 57.154 0.020 . 1 . . . A 134 TYR CA . 18411 1 1706 . 1 1 134 134 TYR CB C 13 38.948 0.015 . 1 . . . A 134 TYR CB . 18411 1 1707 . 1 1 134 134 TYR CD1 C 13 132.286 0.055 . 3 . . . A 134 TYR CD1 . 18411 1 1708 . 1 1 134 134 TYR CD2 C 13 132.286 0.055 . 3 . . . A 134 TYR CD2 . 18411 1 1709 . 1 1 134 134 TYR CE1 C 13 117.298 0.032 . 3 . . . A 134 TYR CE1 . 18411 1 1710 . 1 1 134 134 TYR CE2 C 13 117.298 0.032 . 3 . . . A 134 TYR CE2 . 18411 1 1711 . 1 1 134 134 TYR N N 15 124.816 0.038 . 1 . . . A 134 TYR N . 18411 1 1712 . 1 1 135 135 ASN HA H 1 4.415 0.002 . 1 . . . A 135 ASN HA . 18411 1 1713 . 1 1 135 135 ASN HB2 H 1 2.881 0.008 . 1 . . . A 135 ASN HB2 . 18411 1 1714 . 1 1 135 135 ASN HB3 H 1 2.879 0.009 . 1 . . . A 135 ASN HB3 . 18411 1 1715 . 1 1 135 135 ASN HD21 H 1 7.691 0.002 . 1 . . . A 135 ASN HD21 . 18411 1 1716 . 1 1 135 135 ASN HD22 H 1 7.133 0.001 . 1 . . . A 135 ASN HD22 . 18411 1 1717 . 1 1 135 135 ASN CA C 13 51.995 0.014 . 1 . . . A 135 ASN CA . 18411 1 1718 . 1 1 135 135 ASN CB C 13 40.521 0.024 . 1 . . . A 135 ASN CB . 18411 1 1719 . 1 1 135 135 ASN ND2 N 15 114.145 0.044 . 1 . . . A 135 ASN ND2 . 18411 1 1720 . 1 1 136 136 GLU HA H 1 3.694 0.005 . 1 . . . A 136 GLU HA . 18411 1 1721 . 1 1 136 136 GLU HB2 H 1 1.975 0.002 . 1 . . . A 136 GLU HB2 . 18411 1 1722 . 1 1 136 136 GLU HB3 H 1 1.975 0.002 . 1 . . . A 136 GLU HB3 . 18411 1 1723 . 1 1 136 136 GLU HG2 H 1 2.223 0.003 . 2 . . . A 136 GLU HG2 . 18411 1 1724 . 1 1 136 136 GLU HG3 H 1 2.167 0.004 . 2 . . . A 136 GLU HG3 . 18411 1 1725 . 1 1 136 136 GLU C C 13 178.797 0.006 . 1 . . . A 136 GLU C . 18411 1 1726 . 1 1 136 136 GLU CA C 13 61.052 0.055 . 1 . . . A 136 GLU CA . 18411 1 1727 . 1 1 136 136 GLU CB C 13 29.353 0.024 . 1 . . . A 136 GLU CB . 18411 1 1728 . 1 1 136 136 GLU CG C 13 36.826 0.025 . 1 . . . A 136 GLU CG . 18411 1 1729 . 1 1 137 137 GLU H H 1 8.364 0.002 . 1 . . . A 137 GLU H . 18411 1 1730 . 1 1 137 137 GLU HA H 1 4.176 0.003 . 1 . . . A 137 GLU HA . 18411 1 1731 . 1 1 137 137 GLU HB2 H 1 2.163 0.005 . 2 . . . A 137 GLU HB2 . 18411 1 1732 . 1 1 137 137 GLU HB3 H 1 2.088 0.006 . 2 . . . A 137 GLU HB3 . 18411 1 1733 . 1 1 137 137 GLU HG2 H 1 2.320 0.003 . 1 . . . A 137 GLU HG2 . 18411 1 1734 . 1 1 137 137 GLU HG3 H 1 2.320 0.003 . 1 . . . A 137 GLU HG3 . 18411 1 1735 . 1 1 137 137 GLU C C 13 179.707 0.014 . 1 . . . A 137 GLU C . 18411 1 1736 . 1 1 137 137 GLU CA C 13 59.800 0.073 . 1 . . . A 137 GLU CA . 18411 1 1737 . 1 1 137 137 GLU CB C 13 29.284 0.048 . 1 . . . A 137 GLU CB . 18411 1 1738 . 1 1 137 137 GLU CG C 13 36.785 0.004 . 1 . . . A 137 GLU CG . 18411 1 1739 . 1 1 137 137 GLU N N 15 120.717 0.013 . 1 . . . A 137 GLU N . 18411 1 1740 . 1 1 138 138 GLU H H 1 8.448 0.002 . 1 . . . A 138 GLU H . 18411 1 1741 . 1 1 138 138 GLU HA H 1 4.190 0.006 . 1 . . . A 138 GLU HA . 18411 1 1742 . 1 1 138 138 GLU HB2 H 1 2.184 0.004 . 2 . . . A 138 GLU HB2 . 18411 1 1743 . 1 1 138 138 GLU HB3 H 1 2.148 0.007 . 2 . . . A 138 GLU HB3 . 18411 1 1744 . 1 1 138 138 GLU HG2 H 1 2.375 0.006 . 1 . . . A 138 GLU HG2 . 18411 1 1745 . 1 1 138 138 GLU HG3 H 1 2.375 0.006 . 1 . . . A 138 GLU HG3 . 18411 1 1746 . 1 1 138 138 GLU C C 13 179.927 0.034 . 1 . . . A 138 GLU C . 18411 1 1747 . 1 1 138 138 GLU CA C 13 59.129 0.082 . 1 . . . A 138 GLU CA . 18411 1 1748 . 1 1 138 138 GLU CB C 13 30.064 0.024 . 1 . . . A 138 GLU CB . 18411 1 1749 . 1 1 138 138 GLU CG C 13 37.058 0.024 . 1 . . . A 138 GLU CG . 18411 1 1750 . 1 1 138 138 GLU N N 15 122.448 0.017 . 1 . . . A 138 GLU N . 18411 1 1751 . 1 1 139 139 PHE H H 1 8.895 0.004 . 1 . . . A 139 PHE H . 18411 1 1752 . 1 1 139 139 PHE HA H 1 4.171 0.003 . 1 . . . A 139 PHE HA . 18411 1 1753 . 1 1 139 139 PHE HB2 H 1 3.366 0.011 . 2 . . . A 139 PHE HB2 . 18411 1 1754 . 1 1 139 139 PHE HB3 H 1 3.057 0.011 . 2 . . . A 139 PHE HB3 . 18411 1 1755 . 1 1 139 139 PHE HD1 H 1 7.416 0.010 . 3 . . . A 139 PHE HD1 . 18411 1 1756 . 1 1 139 139 PHE HD2 H 1 7.416 0.010 . 3 . . . A 139 PHE HD2 . 18411 1 1757 . 1 1 139 139 PHE HE1 H 1 7.304 0.008 . 3 . . . A 139 PHE HE1 . 18411 1 1758 . 1 1 139 139 PHE HE2 H 1 7.304 0.008 . 3 . . . A 139 PHE HE2 . 18411 1 1759 . 1 1 139 139 PHE HZ H 1 6.873 0.008 . 1 . . . A 139 PHE HZ . 18411 1 1760 . 1 1 139 139 PHE C C 13 177.370 0.025 . 1 . . . A 139 PHE C . 18411 1 1761 . 1 1 139 139 PHE CA C 13 62.690 0.070 . 1 . . . A 139 PHE CA . 18411 1 1762 . 1 1 139 139 PHE CB C 13 39.579 0.029 . 1 . . . A 139 PHE CB . 18411 1 1763 . 1 1 139 139 PHE CD1 C 13 132.130 0.050 . 3 . . . A 139 PHE CD1 . 18411 1 1764 . 1 1 139 139 PHE CD2 C 13 132.130 0.050 . 3 . . . A 139 PHE CD2 . 18411 1 1765 . 1 1 139 139 PHE CE1 C 13 131.738 0.043 . 3 . . . A 139 PHE CE1 . 18411 1 1766 . 1 1 139 139 PHE CE2 C 13 131.738 0.043 . 3 . . . A 139 PHE CE2 . 18411 1 1767 . 1 1 139 139 PHE CZ C 13 129.180 0.051 . 1 . . . A 139 PHE CZ . 18411 1 1768 . 1 1 139 139 PHE N N 15 122.454 0.037 . 1 . . . A 139 PHE N . 18411 1 1769 . 1 1 140 140 ALA H H 1 8.240 0.002 . 1 . . . A 140 ALA H . 18411 1 1770 . 1 1 140 140 ALA HA H 1 4.100 0.004 . 1 . . . A 140 ALA HA . 18411 1 1771 . 1 1 140 140 ALA HB1 H 1 1.589 0.004 . 1 . . . A 140 ALA HB1 . 18411 1 1772 . 1 1 140 140 ALA HB2 H 1 1.589 0.004 . 1 . . . A 140 ALA HB2 . 18411 1 1773 . 1 1 140 140 ALA HB3 H 1 1.589 0.004 . 1 . . . A 140 ALA HB3 . 18411 1 1774 . 1 1 140 140 ALA C C 13 181.270 0.007 . 1 . . . A 140 ALA C . 18411 1 1775 . 1 1 140 140 ALA CA C 13 55.203 0.075 . 1 . . . A 140 ALA CA . 18411 1 1776 . 1 1 140 140 ALA CB C 13 17.716 0.041 . 1 . . . A 140 ALA CB . 18411 1 1777 . 1 1 140 140 ALA N N 15 120.155 0.029 . 1 . . . A 140 ALA N . 18411 1 1778 . 1 1 141 141 SER H H 1 7.835 0.003 . 1 . . . A 141 SER H . 18411 1 1779 . 1 1 141 141 SER HA H 1 4.267 0.007 . 1 . . . A 141 SER HA . 18411 1 1780 . 1 1 141 141 SER HB2 H 1 4.078 0.003 . 1 . . . A 141 SER HB2 . 18411 1 1781 . 1 1 141 141 SER HB3 H 1 4.078 0.003 . 1 . . . A 141 SER HB3 . 18411 1 1782 . 1 1 141 141 SER C C 13 176.895 0.059 . 1 . . . A 141 SER C . 18411 1 1783 . 1 1 141 141 SER CA C 13 61.291 0.119 . 1 . . . A 141 SER CA . 18411 1 1784 . 1 1 141 141 SER CB C 13 62.690 0.036 . 1 . . . A 141 SER CB . 18411 1 1785 . 1 1 141 141 SER N N 15 114.095 0.050 . 1 . . . A 141 SER N . 18411 1 1786 . 1 1 142 142 LEU H H 1 7.833 0.001 . 1 . . . A 142 LEU H . 18411 1 1787 . 1 1 142 142 LEU HA H 1 3.908 0.004 . 1 . . . A 142 LEU HA . 18411 1 1788 . 1 1 142 142 LEU HB2 H 1 2.237 0.012 . 2 . . . A 142 LEU HB2 . 18411 1 1789 . 1 1 142 142 LEU HB3 H 1 1.285 0.007 . 2 . . . A 142 LEU HB3 . 18411 1 1790 . 1 1 142 142 LEU HG H 1 1.390 0.006 . 1 . . . A 142 LEU HG . 18411 1 1791 . 1 1 142 142 LEU HD11 H 1 0.817 0.008 . 2 . . . A 142 LEU HD11 . 18411 1 1792 . 1 1 142 142 LEU HD12 H 1 0.817 0.008 . 2 . . . A 142 LEU HD12 . 18411 1 1793 . 1 1 142 142 LEU HD13 H 1 0.817 0.008 . 2 . . . A 142 LEU HD13 . 18411 1 1794 . 1 1 142 142 LEU HD21 H 1 0.849 0.007 . 2 . . . A 142 LEU HD21 . 18411 1 1795 . 1 1 142 142 LEU HD22 H 1 0.849 0.007 . 2 . . . A 142 LEU HD22 . 18411 1 1796 . 1 1 142 142 LEU HD23 H 1 0.849 0.007 . 2 . . . A 142 LEU HD23 . 18411 1 1797 . 1 1 142 142 LEU C C 13 176.876 0.005 . 1 . . . A 142 LEU C . 18411 1 1798 . 1 1 142 142 LEU CA C 13 58.757 0.066 . 1 . . . A 142 LEU CA . 18411 1 1799 . 1 1 142 142 LEU CB C 13 41.653 0.058 . 1 . . . A 142 LEU CB . 18411 1 1800 . 1 1 142 142 LEU CG C 13 27.143 0.050 . 1 . . . A 142 LEU CG . 18411 1 1801 . 1 1 142 142 LEU CD1 C 13 26.183 0.009 . 2 . . . A 142 LEU CD1 . 18411 1 1802 . 1 1 142 142 LEU CD2 C 13 24.387 0.005 . 2 . . . A 142 LEU CD2 . 18411 1 1803 . 1 1 142 142 LEU N N 15 126.764 0.015 . 1 . . . A 142 LEU N . 18411 1 1804 . 1 1 143 143 VAL H H 1 8.010 0.003 . 1 . . . A 143 VAL H . 18411 1 1805 . 1 1 143 143 VAL HA H 1 3.174 0.005 . 1 . . . A 143 VAL HA . 18411 1 1806 . 1 1 143 143 VAL HB H 1 2.001 0.011 . 1 . . . A 143 VAL HB . 18411 1 1807 . 1 1 143 143 VAL HG11 H 1 0.908 0.007 . 2 . . . A 143 VAL HG11 . 18411 1 1808 . 1 1 143 143 VAL HG12 H 1 0.908 0.007 . 2 . . . A 143 VAL HG12 . 18411 1 1809 . 1 1 143 143 VAL HG13 H 1 0.908 0.007 . 2 . . . A 143 VAL HG13 . 18411 1 1810 . 1 1 143 143 VAL HG21 H 1 0.595 0.004 . 2 . . . A 143 VAL HG21 . 18411 1 1811 . 1 1 143 143 VAL HG22 H 1 0.595 0.004 . 2 . . . A 143 VAL HG22 . 18411 1 1812 . 1 1 143 143 VAL HG23 H 1 0.595 0.004 . 2 . . . A 143 VAL HG23 . 18411 1 1813 . 1 1 143 143 VAL C C 13 178.479 0.001 . 1 . . . A 143 VAL C . 18411 1 1814 . 1 1 143 143 VAL CA C 13 66.864 0.068 . 1 . . . A 143 VAL CA . 18411 1 1815 . 1 1 143 143 VAL CB C 13 32.350 0.035 . 1 . . . A 143 VAL CB . 18411 1 1816 . 1 1 143 143 VAL CG1 C 13 21.516 0.006 . 2 . . . A 143 VAL CG1 . 18411 1 1817 . 1 1 143 143 VAL CG2 C 13 23.428 0.005 . 2 . . . A 143 VAL CG2 . 18411 1 1818 . 1 1 143 143 VAL N N 15 119.066 0.041 . 1 . . . A 143 VAL N . 18411 1 1819 . 1 1 144 144 GLN H H 1 7.935 0.001 . 1 . . . A 144 GLN H . 18411 1 1820 . 1 1 144 144 GLN HA H 1 4.028 0.005 . 1 . . . A 144 GLN HA . 18411 1 1821 . 1 1 144 144 GLN HB2 H 1 1.908 0.007 . 1 . . . A 144 GLN HB2 . 18411 1 1822 . 1 1 144 144 GLN HB3 H 1 1.908 0.007 . 1 . . . A 144 GLN HB3 . 18411 1 1823 . 1 1 144 144 GLN C C 13 178.335 0.050 . 1 . . . A 144 GLN C . 18411 1 1824 . 1 1 144 144 GLN CA C 13 59.591 0.098 . 1 . . . A 144 GLN CA . 18411 1 1825 . 1 1 144 144 GLN CB C 13 32.906 0.077 . 1 . . . A 144 GLN CB . 18411 1 1826 . 1 1 144 144 GLN N N 15 118.170 0.017 . 1 . . . A 144 GLN N . 18411 1 1827 . 1 1 145 145 GLN H H 1 7.986 0.002 . 1 . . . A 145 GLN H . 18411 1 1828 . 1 1 145 145 GLN HA H 1 4.029 0.005 . 1 . . . A 145 GLN HA . 18411 1 1829 . 1 1 145 145 GLN HB2 H 1 2.196 0.005 . 2 . . . A 145 GLN HB2 . 18411 1 1830 . 1 1 145 145 GLN HB3 H 1 1.952 0.003 . 2 . . . A 145 GLN HB3 . 18411 1 1831 . 1 1 145 145 GLN HG2 H 1 2.455 0.005 . 2 . . . A 145 GLN HG2 . 18411 1 1832 . 1 1 145 145 GLN HG3 H 1 2.270 0.001 . 2 . . . A 145 GLN HG3 . 18411 1 1833 . 1 1 145 145 GLN HE21 H 1 6.967 0.010 . 1 . . . A 145 GLN HE21 . 18411 1 1834 . 1 1 145 145 GLN HE22 H 1 6.384 0.003 . 1 . . . A 145 GLN HE22 . 18411 1 1835 . 1 1 145 145 GLN C C 13 178.686 0.001 . 1 . . . A 145 GLN C . 18411 1 1836 . 1 1 145 145 GLN CA C 13 59.270 0.076 . 1 . . . A 145 GLN CA . 18411 1 1837 . 1 1 145 145 GLN CB C 13 27.587 0.048 . 1 . . . A 145 GLN CB . 18411 1 1838 . 1 1 145 145 GLN CG C 13 33.484 0.025 . 1 . . . A 145 GLN CG . 18411 1 1839 . 1 1 145 145 GLN N N 15 119.839 0.028 . 1 . . . A 145 GLN N . 18411 1 1840 . 1 1 145 145 GLN NE2 N 15 108.282 0.018 . 1 . . . A 145 GLN NE2 . 18411 1 1841 . 1 1 146 146 ILE H H 1 8.171 0.002 . 1 . . . A 146 ILE H . 18411 1 1842 . 1 1 146 146 ILE HA H 1 3.345 0.005 . 1 . . . A 146 ILE HA . 18411 1 1843 . 1 1 146 146 ILE HB H 1 1.713 0.010 . 1 . . . A 146 ILE HB . 18411 1 1844 . 1 1 146 146 ILE HG12 H 1 1.886 0.006 . 2 . . . A 146 ILE HG12 . 18411 1 1845 . 1 1 146 146 ILE HG13 H 1 0.708 0.007 . 2 . . . A 146 ILE HG13 . 18411 1 1846 . 1 1 146 146 ILE HG21 H 1 0.268 0.005 . 1 . . . A 146 ILE HG21 . 18411 1 1847 . 1 1 146 146 ILE HG22 H 1 0.268 0.005 . 1 . . . A 146 ILE HG22 . 18411 1 1848 . 1 1 146 146 ILE HG23 H 1 0.268 0.005 . 1 . . . A 146 ILE HG23 . 18411 1 1849 . 1 1 146 146 ILE HD11 H 1 0.893 0.005 . 1 . . . A 146 ILE HD11 . 18411 1 1850 . 1 1 146 146 ILE HD12 H 1 0.893 0.005 . 1 . . . A 146 ILE HD12 . 18411 1 1851 . 1 1 146 146 ILE HD13 H 1 0.893 0.005 . 1 . . . A 146 ILE HD13 . 18411 1 1852 . 1 1 146 146 ILE C C 13 177.393 0.018 . 1 . . . A 146 ILE C . 18411 1 1853 . 1 1 146 146 ILE CA C 13 66.902 0.063 . 1 . . . A 146 ILE CA . 18411 1 1854 . 1 1 146 146 ILE CB C 13 38.281 0.028 . 1 . . . A 146 ILE CB . 18411 1 1855 . 1 1 146 146 ILE CG1 C 13 31.688 0.030 . 1 . . . A 146 ILE CG1 . 18411 1 1856 . 1 1 146 146 ILE CG2 C 13 18.196 0.005 . 1 . . . A 146 ILE CG2 . 18411 1 1857 . 1 1 146 146 ILE CD1 C 13 15.529 0.008 . 1 . . . A 146 ILE CD1 . 18411 1 1858 . 1 1 146 146 ILE N N 15 119.900 0.035 . 1 . . . A 146 ILE N . 18411 1 1859 . 1 1 147 147 ASN H H 1 7.896 0.002 . 1 . . . A 147 ASN H . 18411 1 1860 . 1 1 147 147 ASN HA H 1 4.196 0.004 . 1 . . . A 147 ASN HA . 18411 1 1861 . 1 1 147 147 ASN HB2 H 1 3.105 0.007 . 2 . . . A 147 ASN HB2 . 18411 1 1862 . 1 1 147 147 ASN HB3 H 1 2.788 0.004 . 2 . . . A 147 ASN HB3 . 18411 1 1863 . 1 1 147 147 ASN HD21 H 1 7.476 0.001 . 1 . . . A 147 ASN HD21 . 18411 1 1864 . 1 1 147 147 ASN HD22 H 1 6.831 0.003 . 1 . . . A 147 ASN HD22 . 18411 1 1865 . 1 1 147 147 ASN C C 13 179.035 0.014 . 1 . . . A 147 ASN C . 18411 1 1866 . 1 1 147 147 ASN CA C 13 56.348 0.073 . 1 . . . A 147 ASN CA . 18411 1 1867 . 1 1 147 147 ASN CB C 13 38.062 0.051 . 1 . . . A 147 ASN CB . 18411 1 1868 . 1 1 147 147 ASN N N 15 116.163 0.017 . 1 . . . A 147 ASN N . 18411 1 1869 . 1 1 147 147 ASN ND2 N 15 111.267 0.032 . 1 . . . A 147 ASN ND2 . 18411 1 1870 . 1 1 148 148 GLU H H 1 8.311 0.002 . 1 . . . A 148 GLU H . 18411 1 1871 . 1 1 148 148 GLU HA H 1 3.970 0.002 . 1 . . . A 148 GLU HA . 18411 1 1872 . 1 1 148 148 GLU HB2 H 1 2.176 0.005 . 2 . . . A 148 GLU HB2 . 18411 1 1873 . 1 1 148 148 GLU HB3 H 1 2.084 0.002 . 2 . . . A 148 GLU HB3 . 18411 1 1874 . 1 1 148 148 GLU HG2 H 1 2.442 0.013 . 2 . . . A 148 GLU HG2 . 18411 1 1875 . 1 1 148 148 GLU HG3 H 1 2.313 0.013 . 2 . . . A 148 GLU HG3 . 18411 1 1876 . 1 1 148 148 GLU C C 13 179.964 0.008 . 1 . . . A 148 GLU C . 18411 1 1877 . 1 1 148 148 GLU CA C 13 59.340 0.060 . 1 . . . A 148 GLU CA . 18411 1 1878 . 1 1 148 148 GLU CB C 13 29.572 0.037 . 1 . . . A 148 GLU CB . 18411 1 1879 . 1 1 148 148 GLU CG C 13 36.439 0.099 . 1 . . . A 148 GLU CG . 18411 1 1880 . 1 1 148 148 GLU N N 15 118.645 0.015 . 1 . . . A 148 GLU N . 18411 1 1881 . 1 1 149 149 MET H H 1 8.527 0.003 . 1 . . . A 149 MET H . 18411 1 1882 . 1 1 149 149 MET HA H 1 4.140 0.006 . 1 . . . A 149 MET HA . 18411 1 1883 . 1 1 149 149 MET HB2 H 1 2.268 0.007 . 2 . . . A 149 MET HB2 . 18411 1 1884 . 1 1 149 149 MET HB3 H 1 2.135 0.005 . 2 . . . A 149 MET HB3 . 18411 1 1885 . 1 1 149 149 MET HG2 H 1 3.018 0.006 . 2 . . . A 149 MET HG2 . 18411 1 1886 . 1 1 149 149 MET HG3 H 1 2.631 0.006 . 2 . . . A 149 MET HG3 . 18411 1 1887 . 1 1 149 149 MET HE1 H 1 2.138 0.005 . 1 . . . A 149 MET HE1 . 18411 1 1888 . 1 1 149 149 MET HE2 H 1 2.138 0.005 . 1 . . . A 149 MET HE2 . 18411 1 1889 . 1 1 149 149 MET HE3 H 1 2.138 0.005 . 1 . . . A 149 MET HE3 . 18411 1 1890 . 1 1 149 149 MET C C 13 179.419 0.008 . 1 . . . A 149 MET C . 18411 1 1891 . 1 1 149 149 MET CA C 13 59.040 0.037 . 1 . . . A 149 MET CA . 18411 1 1892 . 1 1 149 149 MET CB C 13 35.293 0.029 . 1 . . . A 149 MET CB . 18411 1 1893 . 1 1 149 149 MET CG C 13 32.233 0.027 . 1 . . . A 149 MET CG . 18411 1 1894 . 1 1 149 149 MET CE C 13 17.623 0.002 . 1 . . . A 149 MET CE . 18411 1 1895 . 1 1 149 149 MET N N 15 119.218 0.018 . 1 . . . A 149 MET N . 18411 1 1896 . 1 1 150 150 LEU H H 1 7.917 0.002 . 1 . . . A 150 LEU H . 18411 1 1897 . 1 1 150 150 LEU HA H 1 4.245 0.006 . 1 . . . A 150 LEU HA . 18411 1 1898 . 1 1 150 150 LEU HB2 H 1 1.550 0.004 . 2 . . . A 150 LEU HB2 . 18411 1 1899 . 1 1 150 150 LEU HB3 H 1 1.375 0.006 . 2 . . . A 150 LEU HB3 . 18411 1 1900 . 1 1 150 150 LEU HG H 1 1.553 0.005 . 1 . . . A 150 LEU HG . 18411 1 1901 . 1 1 150 150 LEU HD11 H 1 0.773 0.006 . 2 . . . A 150 LEU HD11 . 18411 1 1902 . 1 1 150 150 LEU HD12 H 1 0.773 0.006 . 2 . . . A 150 LEU HD12 . 18411 1 1903 . 1 1 150 150 LEU HD13 H 1 0.773 0.006 . 2 . . . A 150 LEU HD13 . 18411 1 1904 . 1 1 150 150 LEU HD21 H 1 -0.091 0.004 . 2 . . . A 150 LEU HD21 . 18411 1 1905 . 1 1 150 150 LEU HD22 H 1 -0.091 0.004 . 2 . . . A 150 LEU HD22 . 18411 1 1906 . 1 1 150 150 LEU HD23 H 1 -0.091 0.004 . 2 . . . A 150 LEU HD23 . 18411 1 1907 . 1 1 150 150 LEU C C 13 178.141 0.010 . 1 . . . A 150 LEU C . 18411 1 1908 . 1 1 150 150 LEU CA C 13 55.824 0.081 . 1 . . . A 150 LEU CA . 18411 1 1909 . 1 1 150 150 LEU CB C 13 41.533 0.059 . 1 . . . A 150 LEU CB . 18411 1 1910 . 1 1 150 150 LEU CG C 13 26.719 0.050 . 1 . . . A 150 LEU CG . 18411 1 1911 . 1 1 150 150 LEU CD1 C 13 22.820 0.010 . 2 . . . A 150 LEU CD1 . 18411 1 1912 . 1 1 150 150 LEU CD2 C 13 25.610 0.006 . 2 . . . A 150 LEU CD2 . 18411 1 1913 . 1 1 150 150 LEU N N 15 118.078 0.024 . 1 . . . A 150 LEU N . 18411 1 1914 . 1 1 151 151 LYS H H 1 7.466 0.002 . 1 . . . A 151 LYS H . 18411 1 1915 . 1 1 151 151 LYS HA H 1 4.181 0.002 . 1 . . . A 151 LYS HA . 18411 1 1916 . 1 1 151 151 LYS HB2 H 1 1.912 0.004 . 1 . . . A 151 LYS HB2 . 18411 1 1917 . 1 1 151 151 LYS HB3 H 1 1.912 0.004 . 1 . . . A 151 LYS HB3 . 18411 1 1918 . 1 1 151 151 LYS HG2 H 1 1.555 0.004 . 2 . . . A 151 LYS HG2 . 18411 1 1919 . 1 1 151 151 LYS HG3 H 1 1.489 0.004 . 2 . . . A 151 LYS HG3 . 18411 1 1920 . 1 1 151 151 LYS HD2 H 1 1.680 0.006 . 1 . . . A 151 LYS HD2 . 18411 1 1921 . 1 1 151 151 LYS HD3 H 1 1.680 0.006 . 1 . . . A 151 LYS HD3 . 18411 1 1922 . 1 1 151 151 LYS HE2 H 1 2.962 0.004 . 1 . . . A 151 LYS HE2 . 18411 1 1923 . 1 1 151 151 LYS HE3 H 1 2.962 0.004 . 1 . . . A 151 LYS HE3 . 18411 1 1924 . 1 1 151 151 LYS C C 13 177.029 0.004 . 1 . . . A 151 LYS C . 18411 1 1925 . 1 1 151 151 LYS CA C 13 57.490 0.071 . 1 . . . A 151 LYS CA . 18411 1 1926 . 1 1 151 151 LYS CB C 13 32.921 0.041 . 1 . . . A 151 LYS CB . 18411 1 1927 . 1 1 151 151 LYS CG C 13 24.882 0.050 . 1 . . . A 151 LYS CG . 18411 1 1928 . 1 1 151 151 LYS N N 15 120.096 0.019 . 1 . . . A 151 LYS N . 18411 1 1929 . 1 1 152 152 GLU H H 1 7.820 0.001 . 1 . . . A 152 GLU H . 18411 1 1930 . 1 1 152 152 GLU HA H 1 4.264 0.006 . 1 . . . A 152 GLU HA . 18411 1 1931 . 1 1 152 152 GLU HB2 H 1 2.075 0.006 . 2 . . . A 152 GLU HB2 . 18411 1 1932 . 1 1 152 152 GLU HB3 H 1 2.056 0.006 . 2 . . . A 152 GLU HB3 . 18411 1 1933 . 1 1 152 152 GLU HG2 H 1 2.439 0.016 . 2 . . . A 152 GLU HG2 . 18411 1 1934 . 1 1 152 152 GLU HG3 H 1 2.318 0.017 . 2 . . . A 152 GLU HG3 . 18411 1 1935 . 1 1 152 152 GLU C C 13 177.259 0.015 . 1 . . . A 152 GLU C . 18411 1 1936 . 1 1 152 152 GLU CA C 13 57.070 0.072 . 1 . . . A 152 GLU CA . 18411 1 1937 . 1 1 152 152 GLU CB C 13 30.385 0.036 . 1 . . . A 152 GLU CB . 18411 1 1938 . 1 1 152 152 GLU CG C 13 36.532 0.039 . 1 . . . A 152 GLU CG . 18411 1 1939 . 1 1 152 152 GLU N N 15 120.188 0.013 . 1 . . . A 152 GLU N . 18411 1 1940 . 1 1 153 153 GLY H H 1 8.278 0.002 . 1 . . . A 153 GLY H . 18411 1 1941 . 1 1 153 153 GLY HA2 H 1 3.939 0.007 . 1 . . . A 153 GLY HA2 . 18411 1 1942 . 1 1 153 153 GLY HA3 H 1 3.939 0.007 . 1 . . . A 153 GLY HA3 . 18411 1 1943 . 1 1 153 153 GLY C C 13 174.204 0.050 . 1 . . . A 153 GLY C . 18411 1 1944 . 1 1 153 153 GLY CA C 13 45.327 0.083 . 1 . . . A 153 GLY CA . 18411 1 1945 . 1 1 153 153 GLY N N 15 109.046 0.022 . 1 . . . A 153 GLY N . 18411 1 1946 . 1 1 158 158 HIS HA H 1 4.606 0.008 . 1 . . . A 158 HIS HA . 18411 1 1947 . 1 1 158 158 HIS C C 13 174.423 0.007 . 1 . . . A 158 HIS C . 18411 1 1948 . 1 1 158 158 HIS CA C 13 56.235 0.112 . 1 . . . A 158 HIS CA . 18411 1 1949 . 1 1 158 158 HIS CB C 13 31.028 0.050 . 1 . . . A 158 HIS CB . 18411 1 1950 . 1 1 159 159 HIS H H 1 7.943 0.003 . 1 . . . A 159 HIS H . 18411 1 1951 . 1 1 159 159 HIS C C 13 179.815 0.050 . 1 . . . A 159 HIS C . 18411 1 1952 . 1 1 159 159 HIS CA C 13 57.820 0.050 . 1 . . . A 159 HIS CA . 18411 1 1953 . 1 1 159 159 HIS CB C 13 31.125 0.050 . 1 . . . A 159 HIS CB . 18411 1 1954 . 1 1 159 159 HIS N N 15 125.848 0.020 . 1 . . . A 159 HIS N . 18411 1 stop_ save_