data_34660 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34660 _Entry.Title ; Solution structure of Zipcode binding protein 1 (ZBP1) KH3(DD)KH4 domains in complex with N6-Methyladenosine containing RNA ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-08-24 _Entry.Accession_date 2021-08-24 _Entry.Last_release_date 2021-08-31 _Entry.Original_release_date 2021-08-31 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 G. Nicastro G. . . . 34660 2 G. Abis G. . . . 34660 3 I. Taylor I. A. . . 34660 4 A. Ramos A. . . . 34660 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID IMP1 . 34660 'M6A-N6-methyladenosine RNA' . 34660 NMR . 34660 'RNA BINDING PROTEIN' . 34660 ZBP1 . 34660 'binding mechanism' . 34660 'mRNA local translation' . 34660 'neuronal development' . 34660 'neuronal mRNA granules' . 34660 'protein-RNA interactions' . 34660 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34660 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 439 34660 '1H chemical shifts' 1033 34660 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 . . 2024-01-31 . original BMRB . 34660 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7PJL 'BMRB Entry Tracking System' 34660 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34660 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 28147274 _Citation.DOI 10.1016/j.celrep.2016.12.091 _Citation.Full_citation . _Citation.Title ; Mechanism of b-actin mRNA Recognition by ZBP1. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Cell Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 18 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2211-1247 _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 1187 _Citation.Page_last 1199 _Citation.Year 2017 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 G. Nicastro G. . . . 34660 1 2 A. Candel A. M. . . 34660 1 3 M. Uhl M. . . . 34660 1 4 A. Oregioni A. . . . 34660 1 5 D. Hollingworth D. . . . 34660 1 6 R. Backofen R. . . . 34660 1 7 S. Martin S. R. . . 34660 1 8 A. Ramos A. . . . 34660 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34660 _Assembly.ID 1 _Assembly.Name 'Insulin-like growth factor 2 mRNA-binding protein 1/RNA Complex' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 unit_1 1 $entity_1 A A yes . . . . . . 34660 1 2 unit_2 2 $entity_2 B B no . . . . . . 34660 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34660 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; GAMGPSSVSGAAPFSSFMPP EQETVHVFIPAQAVGAIIGD DGQHIKQLSRFASASIKIAP PETPDSKVRMVVITGPPEAQ FKAQGRIYGKLKEENFFGPK EEVKLETHIRVPASAAGRVI GKGGKTVNELQNLTAAEVVV PRDQTPDENEQVIVKIIGHF YASQMAQRKIRDILAQVKQQ HQKGQSGQLQA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 191 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20613.498 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details ; GLY A 1 EXPRESSION TAG ALA A 2 EXPRESSION TAG MET A 3 EXPRESSION TAG GLY A 4 EXPRESSION TAG PHE A 14 ENGINEERED MUTATION ASP A 40 ENGINEERED MUTATION ASP A 41 ENGINEERED MUTATION ; _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'IGF-II mRNA-binding protein 1' common 34660 1 'IGF2 mRNA-binding protein 1' common 34660 1 IMP-1 common 34660 1 'VICKZ family member 1' common 34660 1 ZBP-1 common 34660 1 'Zip-code binding polypeptide' common 34660 1 'Zipcode-binding protein 1' common 34660 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 . GLY . 34660 1 2 . ALA . 34660 1 3 . MET . 34660 1 4 . GLY . 34660 1 5 . PRO . 34660 1 6 . SER . 34660 1 7 . SER . 34660 1 8 . VAL . 34660 1 9 . SER . 34660 1 10 . GLY . 34660 1 11 . ALA . 34660 1 12 . ALA . 34660 1 13 . PRO . 34660 1 14 . PHE . 34660 1 15 . SER . 34660 1 16 . SER . 34660 1 17 . PHE . 34660 1 18 . MET . 34660 1 19 . PRO . 34660 1 20 . PRO . 34660 1 21 . GLU . 34660 1 22 . GLN . 34660 1 23 . GLU . 34660 1 24 . THR . 34660 1 25 . VAL . 34660 1 26 . HIS . 34660 1 27 . VAL . 34660 1 28 . PHE . 34660 1 29 . ILE . 34660 1 30 . PRO . 34660 1 31 . ALA . 34660 1 32 . GLN . 34660 1 33 . ALA . 34660 1 34 . VAL . 34660 1 35 . GLY . 34660 1 36 . ALA . 34660 1 37 . ILE . 34660 1 38 . ILE . 34660 1 39 . GLY . 34660 1 40 . ASP . 34660 1 41 . ASP . 34660 1 42 . GLY . 34660 1 43 . GLN . 34660 1 44 . HIS . 34660 1 45 . ILE . 34660 1 46 . LYS . 34660 1 47 . GLN . 34660 1 48 . LEU . 34660 1 49 . SER . 34660 1 50 . ARG . 34660 1 51 . PHE . 34660 1 52 . ALA . 34660 1 53 . SER . 34660 1 54 . ALA . 34660 1 55 . SER . 34660 1 56 . ILE . 34660 1 57 . LYS . 34660 1 58 . ILE . 34660 1 59 . ALA . 34660 1 60 . PRO . 34660 1 61 . PRO . 34660 1 62 . GLU . 34660 1 63 . THR . 34660 1 64 . PRO . 34660 1 65 . ASP . 34660 1 66 . SER . 34660 1 67 . LYS . 34660 1 68 . VAL . 34660 1 69 . ARG . 34660 1 70 . MET . 34660 1 71 . VAL . 34660 1 72 . VAL . 34660 1 73 . ILE . 34660 1 74 . THR . 34660 1 75 . GLY . 34660 1 76 . PRO . 34660 1 77 . PRO . 34660 1 78 . GLU . 34660 1 79 . ALA . 34660 1 80 . GLN . 34660 1 81 . PHE . 34660 1 82 . LYS . 34660 1 83 . ALA . 34660 1 84 . GLN . 34660 1 85 . GLY . 34660 1 86 . ARG . 34660 1 87 . ILE . 34660 1 88 . TYR . 34660 1 89 . GLY . 34660 1 90 . LYS . 34660 1 91 . LEU . 34660 1 92 . LYS . 34660 1 93 . GLU . 34660 1 94 . GLU . 34660 1 95 . ASN . 34660 1 96 . PHE . 34660 1 97 . PHE . 34660 1 98 . GLY . 34660 1 99 . PRO . 34660 1 100 . LYS . 34660 1 101 . GLU . 34660 1 102 . GLU . 34660 1 103 . VAL . 34660 1 104 . LYS . 34660 1 105 . LEU . 34660 1 106 . GLU . 34660 1 107 . THR . 34660 1 108 . HIS . 34660 1 109 . ILE . 34660 1 110 . ARG . 34660 1 111 . VAL . 34660 1 112 . PRO . 34660 1 113 . ALA . 34660 1 114 . SER . 34660 1 115 . ALA . 34660 1 116 . ALA . 34660 1 117 . GLY . 34660 1 118 . ARG . 34660 1 119 . VAL . 34660 1 120 . ILE . 34660 1 121 . GLY . 34660 1 122 . LYS . 34660 1 123 . GLY . 34660 1 124 . GLY . 34660 1 125 . LYS . 34660 1 126 . THR . 34660 1 127 . VAL . 34660 1 128 . ASN . 34660 1 129 . GLU . 34660 1 130 . LEU . 34660 1 131 . GLN . 34660 1 132 . ASN . 34660 1 133 . LEU . 34660 1 134 . THR . 34660 1 135 . ALA . 34660 1 136 . ALA . 34660 1 137 . GLU . 34660 1 138 . VAL . 34660 1 139 . VAL . 34660 1 140 . VAL . 34660 1 141 . PRO . 34660 1 142 . ARG . 34660 1 143 . ASP . 34660 1 144 . GLN . 34660 1 145 . THR . 34660 1 146 . PRO . 34660 1 147 . ASP . 34660 1 148 . GLU . 34660 1 149 . ASN . 34660 1 150 . GLU . 34660 1 151 . GLN . 34660 1 152 . VAL . 34660 1 153 . ILE . 34660 1 154 . VAL . 34660 1 155 . LYS . 34660 1 156 . ILE . 34660 1 157 . ILE . 34660 1 158 . GLY . 34660 1 159 . HIS . 34660 1 160 . PHE . 34660 1 161 . TYR . 34660 1 162 . ALA . 34660 1 163 . SER . 34660 1 164 . GLN . 34660 1 165 . MET . 34660 1 166 . ALA . 34660 1 167 . GLN . 34660 1 168 . ARG . 34660 1 169 . LYS . 34660 1 170 . ILE . 34660 1 171 . ARG . 34660 1 172 . ASP . 34660 1 173 . ILE . 34660 1 174 . LEU . 34660 1 175 . ALA . 34660 1 176 . GLN . 34660 1 177 . VAL . 34660 1 178 . LYS . 34660 1 179 . GLN . 34660 1 180 . GLN . 34660 1 181 . HIS . 34660 1 182 . GLN . 34660 1 183 . LYS . 34660 1 184 . GLY . 34660 1 185 . GLN . 34660 1 186 . SER . 34660 1 187 . GLY . 34660 1 188 . GLN . 34660 1 189 . LEU . 34660 1 190 . GLN . 34660 1 191 . ALA . 34660 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 . GLY 1 1 34660 1 . ALA 2 2 34660 1 . MET 3 3 34660 1 . GLY 4 4 34660 1 . PRO 5 5 34660 1 . SER 6 6 34660 1 . SER 7 7 34660 1 . VAL 8 8 34660 1 . SER 9 9 34660 1 . GLY 10 10 34660 1 . ALA 11 11 34660 1 . ALA 12 12 34660 1 . PRO 13 13 34660 1 . PHE 14 14 34660 1 . SER 15 15 34660 1 . SER 16 16 34660 1 . PHE 17 17 34660 1 . MET 18 18 34660 1 . PRO 19 19 34660 1 . PRO 20 20 34660 1 . GLU 21 21 34660 1 . GLN 22 22 34660 1 . GLU 23 23 34660 1 . THR 24 24 34660 1 . VAL 25 25 34660 1 . HIS 26 26 34660 1 . VAL 27 27 34660 1 . PHE 28 28 34660 1 . ILE 29 29 34660 1 . PRO 30 30 34660 1 . ALA 31 31 34660 1 . GLN 32 32 34660 1 . ALA 33 33 34660 1 . VAL 34 34 34660 1 . GLY 35 35 34660 1 . ALA 36 36 34660 1 . ILE 37 37 34660 1 . ILE 38 38 34660 1 . GLY 39 39 34660 1 . ASP 40 40 34660 1 . ASP 41 41 34660 1 . GLY 42 42 34660 1 . GLN 43 43 34660 1 . HIS 44 44 34660 1 . ILE 45 45 34660 1 . LYS 46 46 34660 1 . GLN 47 47 34660 1 . LEU 48 48 34660 1 . SER 49 49 34660 1 . ARG 50 50 34660 1 . PHE 51 51 34660 1 . ALA 52 52 34660 1 . SER 53 53 34660 1 . ALA 54 54 34660 1 . SER 55 55 34660 1 . ILE 56 56 34660 1 . LYS 57 57 34660 1 . ILE 58 58 34660 1 . ALA 59 59 34660 1 . PRO 60 60 34660 1 . PRO 61 61 34660 1 . GLU 62 62 34660 1 . THR 63 63 34660 1 . PRO 64 64 34660 1 . ASP 65 65 34660 1 . SER 66 66 34660 1 . LYS 67 67 34660 1 . VAL 68 68 34660 1 . ARG 69 69 34660 1 . MET 70 70 34660 1 . VAL 71 71 34660 1 . VAL 72 72 34660 1 . ILE 73 73 34660 1 . THR 74 74 34660 1 . GLY 75 75 34660 1 . PRO 76 76 34660 1 . PRO 77 77 34660 1 . GLU 78 78 34660 1 . ALA 79 79 34660 1 . GLN 80 80 34660 1 . PHE 81 81 34660 1 . LYS 82 82 34660 1 . ALA 83 83 34660 1 . GLN 84 84 34660 1 . GLY 85 85 34660 1 . ARG 86 86 34660 1 . ILE 87 87 34660 1 . TYR 88 88 34660 1 . GLY 89 89 34660 1 . LYS 90 90 34660 1 . LEU 91 91 34660 1 . LYS 92 92 34660 1 . GLU 93 93 34660 1 . GLU 94 94 34660 1 . ASN 95 95 34660 1 . PHE 96 96 34660 1 . PHE 97 97 34660 1 . GLY 98 98 34660 1 . PRO 99 99 34660 1 . LYS 100 100 34660 1 . GLU 101 101 34660 1 . GLU 102 102 34660 1 . VAL 103 103 34660 1 . LYS 104 104 34660 1 . LEU 105 105 34660 1 . GLU 106 106 34660 1 . THR 107 107 34660 1 . HIS 108 108 34660 1 . ILE 109 109 34660 1 . ARG 110 110 34660 1 . VAL 111 111 34660 1 . PRO 112 112 34660 1 . ALA 113 113 34660 1 . SER 114 114 34660 1 . ALA 115 115 34660 1 . ALA 116 116 34660 1 . GLY 117 117 34660 1 . ARG 118 118 34660 1 . VAL 119 119 34660 1 . ILE 120 120 34660 1 . GLY 121 121 34660 1 . LYS 122 122 34660 1 . GLY 123 123 34660 1 . GLY 124 124 34660 1 . LYS 125 125 34660 1 . THR 126 126 34660 1 . VAL 127 127 34660 1 . ASN 128 128 34660 1 . GLU 129 129 34660 1 . LEU 130 130 34660 1 . GLN 131 131 34660 1 . ASN 132 132 34660 1 . LEU 133 133 34660 1 . THR 134 134 34660 1 . ALA 135 135 34660 1 . ALA 136 136 34660 1 . GLU 137 137 34660 1 . VAL 138 138 34660 1 . VAL 139 139 34660 1 . VAL 140 140 34660 1 . PRO 141 141 34660 1 . ARG 142 142 34660 1 . ASP 143 143 34660 1 . GLN 144 144 34660 1 . THR 145 145 34660 1 . PRO 146 146 34660 1 . ASP 147 147 34660 1 . GLU 148 148 34660 1 . ASN 149 149 34660 1 . GLU 150 150 34660 1 . GLN 151 151 34660 1 . VAL 152 152 34660 1 . ILE 153 153 34660 1 . VAL 154 154 34660 1 . LYS 155 155 34660 1 . ILE 156 156 34660 1 . ILE 157 157 34660 1 . GLY 158 158 34660 1 . HIS 159 159 34660 1 . PHE 160 160 34660 1 . TYR 161 161 34660 1 . ALA 162 162 34660 1 . SER 163 163 34660 1 . GLN 164 164 34660 1 . MET 165 165 34660 1 . ALA 166 166 34660 1 . GLN 167 167 34660 1 . ARG 168 168 34660 1 . LYS 169 169 34660 1 . ILE 170 170 34660 1 . ARG 171 171 34660 1 . ASP 172 172 34660 1 . ILE 173 173 34660 1 . LEU 174 174 34660 1 . ALA 175 175 34660 1 . GLN 176 176 34660 1 . VAL 177 177 34660 1 . LYS 178 178 34660 1 . GLN 179 179 34660 1 . GLN 180 180 34660 1 . HIS 181 181 34660 1 . GLN 182 182 34660 1 . LYS 183 183 34660 1 . GLY 184 184 34660 1 . GLN 185 185 34660 1 . SER 186 186 34660 1 . GLY 187 187 34660 1 . GLN 188 188 34660 1 . LEU 189 189 34660 1 . GLN 190 190 34660 1 . ALA 191 191 34660 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34660 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; UCGGXCU ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer yes _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 7 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2211.382 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . U . 34660 2 2 . C . 34660 2 3 . G . 34660 2 4 . G . 34660 2 5 . 6MZ . 34660 2 6 . C . 34660 2 7 . U . 34660 2 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 . U 1 1 34660 2 . C 2 2 34660 2 . G 3 3 34660 2 . G 4 4 34660 2 . 6MZ 5 5 34660 2 . C 6 6 34660 2 . U 7 7 34660 2 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 34660 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9031 organism . 'Gallus gallus' Chicken . . Eukaryota Metazoa Gallus gallus . . . . . . . . . . . 'IGF2BP1, VICKZ1, ZBP1' . 34660 1 2 2 $entity_2 . 32630 'no natural source' . 'synthetic construct' . . . . . synthetic construct . . . . . . . . . . . . . 34660 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 34660 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34660 1 2 2 $entity_2 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34660 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_6MZ _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_6MZ _Chem_comp.Entry_ID 34660 _Chem_comp.ID 6MZ _Chem_comp.Provenance PDB _Chem_comp.Name N6-METHYLADENOSINE-5'-MONOPHOSPHATE _Chem_comp.Type 'RNA LINKING' _Chem_comp.BMRB_code 6MZ _Chem_comp.PDB_code 6MZ _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2020-07-10 _Chem_comp.Modified_date 2020-07-10 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code A _Chem_comp.Three_letter_code 6MZ _Chem_comp.Number_atoms_all 40 _Chem_comp.Number_atoms_nh 24 _Chem_comp.Atom_nomenclature_source . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code ; InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 ; _Chem_comp.Mon_nstd_flag no _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID A _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C11 H16 N5 O7 P' _Chem_comp.Formula_weight 361.248 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details Corina _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O SMILES 'OpenEye OEToolkits' 1.7.6 34660 6MZ CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.7.6 34660 6MZ CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O SMILES_CANONICAL CACTVS 3.385 34660 6MZ CNc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O SMILES CACTVS 3.385 34660 6MZ ; InChI=1S/C11H16N5O7P/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11,17-18H,2H2,1H3,(H,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 ; InChI InChI 1.03 34660 6MZ WETVNPRPZIYMAC-IOSLPCCCSA-N InChIKey InChI 1.03 34660 6MZ c1nc2c(c(n1)NC)ncn2C3OC(COP(O)(=O)O)C(C3O)O SMILES ACDLabs 12.01 34660 6MZ stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID "N-methyladenosine 5'-(dihydrogen phosphate)" 'SYSTEMATIC NAME' ACDLabs 12.01 34660 6MZ '[(2R,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.7.6 34660 6MZ stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C2 C2 C2 C2 . C . . N 0 . . . 1 Y N . . . . 202.191 . 94.809 . -2.784 . 4.850 -1.059 -0.961 1 . 34660 6MZ C4 C4 C4 C4 . C . . N 0 . . . 1 Y N . . . . 200.999 . 93.902 . -1.149 . 2.811 -0.211 -0.324 2 . 34660 6MZ C5 C5 C5 C5 . C . . N 0 . . . 1 Y N . . . . 201.650 . 94.643 . -0.171 . 3.452 0.951 0.140 3 . 34660 6MZ O1P O1P O1P O1P . O . . N 0 . . . 1 N N . . . . 199.114 . 89.190 . 4.356 . -6.250 0.244 0.138 4 . 34660 6MZ O2P O2P O2P O2P . O . . N 0 . . . 1 N N . . . . 200.745 . 91.209 . 4.442 . -4.706 1.944 1.186 5 . 34660 6MZ N9 N9 N9 N9 . N . . N 0 . . . 1 Y N . . . . 200.080 . 93.130 . -0.485 . 1.473 -0.028 -0.080 6 . 34660 6MZ N3 N3 N3 N3 . N . . N 0 . . . 1 Y N . . . . 201.219 . 93.937 . -2.480 . 3.543 -1.181 -0.862 7 . 34660 6MZ N1 N1 N1 N1 . N . . N 0 . . . 1 Y N . . . . 202.913 . 95.597 . -1.965 . 5.496 0.013 -0.540 8 . 34660 6MZ C6 C6 C6 C6 . C . . N 0 . . . 1 Y N . . . . 202.675 . 95.549 . -0.627 . 4.848 1.034 0.012 9 . 34660 6MZ N6 N6 N6 N6 . N . . N 0 . . . 1 N N . . . . 203.426 . 96.361 . 0.159 . 5.534 2.154 0.449 10 . 34660 6MZ C9 C9 C9 C9 . C . . N 0 . . . 1 N N . . . . 203.322 . 96.445 . 1.513 . 6.990 2.223 0.308 11 . 34660 6MZ N7 N7 N7 N7 . N . . N 0 . . . 1 Y N . . . . 201.147 . 94.331 . 1.087 . 2.490 1.767 0.633 12 . 34660 6MZ C8 C8 C8 C8 . C . . N 0 . . . 1 Y N . . . . 200.223 . 93.433 . 0.845 . 1.328 1.195 0.505 13 . 34660 6MZ O5' O5' O5' O5' . O . . N 0 . . . 1 N N . . . . 199.377 . 90.741 . 2.391 . -3.698 0.344 -0.486 14 . 34660 6MZ C5' C5' C5' C5' . C . . N 0 . . . 1 N N . . . . 198.283 . 90.142 . 1.666 . -3.093 -0.612 0.388 15 . 34660 6MZ C4' C4' C4' C4' . C . . R 0 . . . 1 N N . . . . 198.433 . 90.365 . 0.182 . -1.898 -1.260 -0.313 16 . 34660 6MZ O4' O4' O4' O4' . O . . N 0 . . . 1 N N . . . . 198.234 . 91.770 . -0.112 . -0.864 -0.284 -0.519 17 . 34660 6MZ C1' C1' C1' C1' . C . . R 0 . . . 1 N N . . . . 199.152 . 92.188 . -1.101 . 0.398 -0.973 -0.391 18 . 34660 6MZ C2' C2' C2' C2' . C . . R 0 . . . 1 N N . . . . 199.837 . 90.933 . -1.635 . 0.162 -1.942 0.796 19 . 34660 6MZ O2' O2' O2' O2' . O . . N 0 . . . 1 N N . . . . 199.113 . 90.419 . -2.736 . 1.040 -3.066 0.719 20 . 34660 6MZ C3' C3' C3' C3' . C . . S 0 . . . 1 N N . . . . 199.796 . 90.041 . -0.405 . -1.311 -2.375 0.574 21 . 34660 6MZ O3' O3' O3' O3' . O . . N 0 . . . 1 N N . . . . 199.941 . 88.649 . -0.671 . -1.369 -3.633 -0.100 22 . 34660 6MZ P P P P . P . . N 0 . . . 1 N N . . . . 199.470 . 90.599 . 3.984 . -4.985 1.218 -0.073 23 . 34660 6MZ O3P O3P O3P O3P . O . . N 0 . . . 1 N Y . . . . 198.265 . 91.505 . 4.523 . -5.313 2.276 -1.242 24 . 34660 6MZ H2 H2 H2 H2 . H . . N 0 . . . 1 N N . . . . 202.428 . 94.891 . -3.834 . 5.416 -1.868 -1.399 25 . 34660 6MZ H1P H1P H1P H1P . H . . N 0 . . . 1 N N . . . . 199.807 . 88.818 . 4.889 . -6.490 -0.265 -0.648 26 . 34660 6MZ H8 H8 H8 H8 . H . . N 0 . . . 1 N N . . . . 199.629 . 92.974 . 1.622 . 0.388 1.625 0.817 27 . 34660 6MZ H1' H1' H1' H1' . H . . N 0 . . . 1 N N . . . . 198.622 . 92.680 . -1.930 . 0.627 -1.527 -1.302 28 . 34660 6MZ H9C1 H9C1 H9C1 H9C1 . H . . N 0 . . . 0 N N . . . . 204.048 . 97.179 . 1.892 . 7.449 1.401 0.859 29 . 34660 6MZ H9C2 H9C2 H9C2 H9C2 . H . . N 0 . . . 0 N N . . . . 202.304 . 96.763 . 1.783 . 7.257 2.146 -0.747 30 . 34660 6MZ H5'1 H5'1 H5'1 H5'1 . H . . N 0 . . . 0 N N . . . . 198.267 . 89.061 . 1.868 . -2.754 -0.111 1.295 31 . 34660 6MZ H5'2 H5'2 H5'2 H5'2 . H . . N 0 . . . 0 N N . . . . 197.338 . 90.592 . 2.004 . -3.822 -1.379 0.648 32 . 34660 6MZ H4' H4' H4' H4' . H . . N 0 . . . 1 N N . . . . 197.673 . 89.768 . -0.344 . -2.212 -1.675 -1.271 33 . 34660 6MZ H3' H3' H3' H3' . H . . N 0 . . . 1 N N . . . . 200.573 . 90.374 . 0.299 . -1.842 -2.425 1.525 34 . 34660 6MZ H2' H2' H2' H2' . H . . N 0 . . . 1 N N . . . . 200.880 . 91.159 . -1.904 . 0.278 -1.425 1.748 35 . 34660 6MZ HA HA HA HA . H . . N 0 . . . 1 N N . . . . 199.545 . 89.639 . -3.063 . 0.931 -3.701 1.440 36 . 34660 6MZ HB HB HB HB . H . . N 0 . . . 1 N Y . . . . 200.802 . 88.484 . -1.036 . -1.012 -4.371 0.414 37 . 34660 6MZ H3P H3P H3P H3P . H . . N 0 . . . 1 N Y . . . . 198.615 . 92.236 . 5.018 . -6.079 2.838 -1.060 38 . 34660 6MZ H6 H6 H6 H6 . H . . N 0 . . . 1 N N . . . . 204.375 . 96.104 . -0.021 . 5.050 2.893 0.850 39 . 34660 6MZ H9 H9 H9 H9 . H . . N 0 . . . 1 N N . . . . 203.529 . 95.461 . 1.958 . 7.350 3.172 0.705 40 . 34660 6MZ stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C4 C5 Y N 1 . 34660 6MZ 2 . SING C4 N9 Y N 2 . 34660 6MZ 3 . SING C2 N3 Y N 3 . 34660 6MZ 4 . DOUB C4 N3 Y N 4 . 34660 6MZ 5 . DOUB C2 N1 Y N 5 . 34660 6MZ 6 . DOUB C5 C6 Y N 6 . 34660 6MZ 7 . SING N1 C6 Y N 7 . 34660 6MZ 8 . SING C6 N6 N N 8 . 34660 6MZ 9 . SING N6 C9 N N 9 . 34660 6MZ 10 . SING C5 N7 Y N 10 . 34660 6MZ 11 . SING N9 C8 Y N 11 . 34660 6MZ 12 . DOUB N7 C8 Y N 12 . 34660 6MZ 13 . SING O5' C5' N N 13 . 34660 6MZ 14 . SING C1' H1' N N 14 . 34660 6MZ 15 . SING C9 H9C1 N N 15 . 34660 6MZ 16 . SING C9 H9C2 N N 16 . 34660 6MZ 17 . SING C5' H5'1 N N 17 . 34660 6MZ 18 . SING C5' H5'2 N N 18 . 34660 6MZ 19 . SING C4' H4' N N 19 . 34660 6MZ 20 . SING C3' H3' N N 20 . 34660 6MZ 21 . SING C2' H2' N N 21 . 34660 6MZ 22 . SING O2' HA N N 22 . 34660 6MZ 23 . SING O3' HB N N 23 . 34660 6MZ 24 . SING O3P H3P N N 24 . 34660 6MZ 25 . SING C5' C4' N N 25 . 34660 6MZ 26 . SING C4' O4' N N 26 . 34660 6MZ 27 . SING N9 C1' N N 27 . 34660 6MZ 28 . SING O4' C1' N N 28 . 34660 6MZ 29 . SING C1' C2' N N 29 . 34660 6MZ 30 . SING C2' O2' N N 30 . 34660 6MZ 31 . SING C4' C3' N N 31 . 34660 6MZ 32 . SING C2' C3' N N 32 . 34660 6MZ 33 . SING C3' O3' N N 33 . 34660 6MZ 34 . SING O1P P N N 34 . 34660 6MZ 35 . DOUB O2P P N N 35 . 34660 6MZ 36 . SING O5' P N N 36 . 34660 6MZ 37 . SING P O3P N N 37 . 34660 6MZ 38 . SING C2 H2 N N 38 . 34660 6MZ 39 . SING O1P H1P N N 39 . 34660 6MZ 40 . SING C8 H8 N N 40 . 34660 6MZ 41 . SING N6 H6 N N 41 . 34660 6MZ 42 . SING C9 H9 N N 42 . 34660 6MZ stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34660 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 mM [U-100% 13C; U-100% 15N] sample 1, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity_1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 300 . . mM . . . . 34660 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34660 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 0.02 . 'Not defined' 34660 1 pH 6.5 . pH 34660 1 pressure 1 . atm 34660 1 temperature 310 . K 34660 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34660 _Software.ID 1 _Software.Type . _Software.Name ARIA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 34660 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34660 1 'structure calculation' . 34660 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34660 _Software.ID 2 _Software.Type . _Software.Name XEASY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 34660 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34660 2 'peak picking' . 34660 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34660 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model '950 Avance' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34660 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model '800 Avance' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 34660 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model '700 Avance' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34660 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker '950 Avance' . 950 . . . 34660 1 2 NMR_spectrometer_2 Bruker '800 Avance' . 800 . . . 34660 1 3 NMR_spectrometer_3 Bruker '700 Avance' . 700 . . . 34660 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 34660 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34660 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34660 1 3 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34660 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34660 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 34660 1 6 '2D 1H-1H NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 34660 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34660 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449539 . . . . . 34660 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . 34660 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34660 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_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 '2D 1H-15N HSQC' . . . 34660 1 2 '2D 1H-13C HSQC' . . . 34660 1 3 '3D 1H-13C NOESY aliphatic' . . . 34660 1 4 '3D 1H-15N NOESY' . . . 34660 1 5 '2D 1H-1H NOESY' . . . 34660 1 6 '2D 1H-1H NOESY' . . . 34660 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 8 8 VAL HB H 1 2.001 0.003 . . . . . . A 8 VAL HB . 34660 1 2 . 1 . 1 8 8 VAL HG11 H 1 0.887 0.000 . . . . . . A 8 VAL HG11 . 34660 1 3 . 1 . 1 8 8 VAL HG12 H 1 0.887 0.000 . . . . . . A 8 VAL HG12 . 34660 1 4 . 1 . 1 8 8 VAL HG13 H 1 0.887 0.000 . . . . . . A 8 VAL HG13 . 34660 1 5 . 1 . 1 8 8 VAL HG21 H 1 0.887 0.000 . . . . . . A 8 VAL HG21 . 34660 1 6 . 1 . 1 8 8 VAL HG22 H 1 0.887 0.000 . . . . . . A 8 VAL HG22 . 34660 1 7 . 1 . 1 8 8 VAL HG23 H 1 0.887 0.000 . . . . . . A 8 VAL HG23 . 34660 1 8 . 1 . 1 8 8 VAL CB C 13 32.700 0.000 . . . . . . A 8 VAL CB . 34660 1 9 . 1 . 1 9 9 SER HA H 1 4.399 0.001 . . . . . . A 9 SER HA . 34660 1 10 . 1 . 1 9 9 SER HB2 H 1 3.778 0.000 . . . . . . A 9 SER HB2 . 34660 1 11 . 1 . 1 9 9 SER HB3 H 1 3.778 0.000 . . . . . . A 9 SER HB3 . 34660 1 12 . 1 . 1 9 9 SER CA C 13 58.401 0.000 . . . . . . A 9 SER CA . 34660 1 13 . 1 . 1 14 14 PHE H H 1 8.042 0.003 . . . . . . A 14 PHE H . 34660 1 14 . 1 . 1 14 14 PHE HA H 1 4.595 0.001 . . . . . . A 14 PHE HA . 34660 1 15 . 1 . 1 14 14 PHE HB2 H 1 3.066 0.003 . . . . . . A 14 PHE HB2 . 34660 1 16 . 1 . 1 14 14 PHE HB3 H 1 3.024 0.001 . . . . . . A 14 PHE HB3 . 34660 1 17 . 1 . 1 14 14 PHE HD1 H 1 7.205 0.000 . . . . . . A 14 PHE HD1 . 34660 1 18 . 1 . 1 14 14 PHE HD2 H 1 7.205 0.000 . . . . . . A 14 PHE HD2 . 34660 1 19 . 1 . 1 14 14 PHE CB C 13 39.371 0.010 . . . . . . A 14 PHE CB . 34660 1 20 . 1 . 1 17 17 PHE HA H 1 4.555 0.000 . . . . . . A 17 PHE HA . 34660 1 21 . 1 . 1 17 17 PHE HB2 H 1 3.050 0.002 . . . . . . A 17 PHE HB2 . 34660 1 22 . 1 . 1 17 17 PHE HB3 H 1 3.050 0.002 . . . . . . A 17 PHE HB3 . 34660 1 23 . 1 . 1 17 17 PHE HD1 H 1 7.172 0.000 . . . . . . A 17 PHE HD1 . 34660 1 24 . 1 . 1 17 17 PHE HD2 H 1 7.172 0.000 . . . . . . A 17 PHE HD2 . 34660 1 25 . 1 . 1 17 17 PHE CB C 13 39.527 0.002 . . . . . . A 17 PHE CB . 34660 1 26 . 1 . 1 18 18 MET H H 1 8.017 0.000 . . . . . . A 18 MET H . 34660 1 27 . 1 . 1 18 18 MET HA H 1 4.721 0.002 . . . . . . A 18 MET HA . 34660 1 28 . 1 . 1 18 18 MET HB2 H 1 1.963 0.007 . . . . . . A 18 MET HB2 . 34660 1 29 . 1 . 1 18 18 MET HB3 H 1 1.850 0.008 . . . . . . A 18 MET HB3 . 34660 1 30 . 1 . 1 18 18 MET HG2 H 1 2.455 0.000 . . . . . . A 18 MET HG2 . 34660 1 31 . 1 . 1 18 18 MET HG3 H 1 2.455 0.000 . . . . . . A 18 MET HG3 . 34660 1 32 . 1 . 1 18 18 MET CB C 13 32.862 0.000 . . . . . . A 18 MET CB . 34660 1 33 . 1 . 1 19 19 PRO HD2 H 1 3.712 0.003 . . . . . . A 19 PRO HD2 . 34660 1 34 . 1 . 1 19 19 PRO HD3 H 1 3.588 0.003 . . . . . . A 19 PRO HD3 . 34660 1 35 . 1 . 1 19 19 PRO CD C 13 50.587 0.000 . . . . . . A 19 PRO CD . 34660 1 36 . 1 . 1 20 20 PRO HA H 1 4.431 0.005 . . . . . . A 20 PRO HA . 34660 1 37 . 1 . 1 20 20 PRO HB2 H 1 2.319 0.010 . . . . . . A 20 PRO HB2 . 34660 1 38 . 1 . 1 20 20 PRO HB3 H 1 1.954 0.016 . . . . . . A 20 PRO HB3 . 34660 1 39 . 1 . 1 20 20 PRO HG2 H 1 2.053 0.000 . . . . . . A 20 PRO HG2 . 34660 1 40 . 1 . 1 20 20 PRO HG3 H 1 2.053 0.000 . . . . . . A 20 PRO HG3 . 34660 1 41 . 1 . 1 20 20 PRO CA C 13 63.110 0.000 . . . . . . A 20 PRO CA . 34660 1 42 . 1 . 1 20 20 PRO CB C 13 32.074 0.018 . . . . . . A 20 PRO CB . 34660 1 43 . 1 . 1 21 21 GLU H H 1 8.472 0.010 . . . . . . A 21 GLU H . 34660 1 44 . 1 . 1 21 21 GLU HA H 1 4.200 0.004 . . . . . . A 21 GLU HA . 34660 1 45 . 1 . 1 21 21 GLU HB2 H 1 2.056 0.004 . . . . . . A 21 GLU HB2 . 34660 1 46 . 1 . 1 21 21 GLU HB3 H 1 1.971 0.004 . . . . . . A 21 GLU HB3 . 34660 1 47 . 1 . 1 21 21 GLU HG2 H 1 2.263 0.016 . . . . . . A 21 GLU HG2 . 34660 1 48 . 1 . 1 21 21 GLU HG3 H 1 2.263 0.016 . . . . . . A 21 GLU HG3 . 34660 1 49 . 1 . 1 21 21 GLU CA C 13 56.675 0.021 . . . . . . A 21 GLU CA . 34660 1 50 . 1 . 1 21 21 GLU CB C 13 30.283 0.032 . . . . . . A 21 GLU CB . 34660 1 51 . 1 . 1 21 21 GLU CG C 13 34.007 0.000 . . . . . . A 21 GLU CG . 34660 1 52 . 1 . 1 22 22 GLN H H 1 8.133 0.006 . . . . . . A 22 GLN H . 34660 1 53 . 1 . 1 22 22 GLN HA H 1 3.986 0.006 . . . . . . A 22 GLN HA . 34660 1 54 . 1 . 1 22 22 GLN HB2 H 1 1.898 0.030 . . . . . . A 22 GLN HB2 . 34660 1 55 . 1 . 1 22 22 GLN HB3 H 1 1.825 0.003 . . . . . . A 22 GLN HB3 . 34660 1 56 . 1 . 1 22 22 GLN HG2 H 1 2.278 0.004 . . . . . . A 22 GLN HG2 . 34660 1 57 . 1 . 1 22 22 GLN HG3 H 1 2.157 0.002 . . . . . . A 22 GLN HG3 . 34660 1 58 . 1 . 1 22 22 GLN HE21 H 1 7.448 0.001 . . . . . . A 22 GLN HE21 . 34660 1 59 . 1 . 1 22 22 GLN CA C 13 56.105 0.010 . . . . . . A 22 GLN CA . 34660 1 60 . 1 . 1 22 22 GLN CB C 13 29.948 0.033 . . . . . . A 22 GLN CB . 34660 1 61 . 1 . 1 22 22 GLN CG C 13 34.025 0.038 . . . . . . A 22 GLN CG . 34660 1 62 . 1 . 1 23 23 GLU H H 1 7.909 0.002 . . . . . . A 23 GLU H . 34660 1 63 . 1 . 1 23 23 GLU HA H 1 4.613 0.006 . . . . . . A 23 GLU HA . 34660 1 64 . 1 . 1 23 23 GLU HG2 H 1 2.279 0.013 . . . . . . A 23 GLU HG2 . 34660 1 65 . 1 . 1 23 23 GLU HG3 H 1 2.220 0.007 . . . . . . A 23 GLU HG3 . 34660 1 66 . 1 . 1 23 23 GLU CG C 13 35.899 0.090 . . . . . . A 23 GLU CG . 34660 1 67 . 1 . 1 24 24 THR H H 1 8.557 0.005 . . . . . . A 24 THR H . 34660 1 68 . 1 . 1 24 24 THR HA H 1 5.301 0.005 . . . . . . A 24 THR HA . 34660 1 69 . 1 . 1 24 24 THR HB H 1 3.797 0.004 . . . . . . A 24 THR HB . 34660 1 70 . 1 . 1 24 24 THR HG21 H 1 1.053 0.003 . . . . . . A 24 THR HG21 . 34660 1 71 . 1 . 1 24 24 THR HG22 H 1 1.053 0.003 . . . . . . A 24 THR HG22 . 34660 1 72 . 1 . 1 24 24 THR HG23 H 1 1.053 0.003 . . . . . . A 24 THR HG23 . 34660 1 73 . 1 . 1 24 24 THR CA C 13 62.512 0.013 . . . . . . A 24 THR CA . 34660 1 74 . 1 . 1 24 24 THR CB C 13 71.243 0.027 . . . . . . A 24 THR CB . 34660 1 75 . 1 . 1 24 24 THR CG2 C 13 22.497 0.001 . . . . . . A 24 THR CG2 . 34660 1 76 . 1 . 1 25 25 VAL H H 1 9.139 0.016 . . . . . . A 25 VAL H . 34660 1 77 . 1 . 1 25 25 VAL HA H 1 4.474 0.012 . . . . . . A 25 VAL HA . 34660 1 78 . 1 . 1 25 25 VAL HB H 1 2.046 0.011 . . . . . . A 25 VAL HB . 34660 1 79 . 1 . 1 25 25 VAL HG11 H 1 0.846 0.028 . . . . . . A 25 VAL HG11 . 34660 1 80 . 1 . 1 25 25 VAL HG12 H 1 0.846 0.028 . . . . . . A 25 VAL HG12 . 34660 1 81 . 1 . 1 25 25 VAL HG13 H 1 0.846 0.028 . . . . . . A 25 VAL HG13 . 34660 1 82 . 1 . 1 25 25 VAL HG21 H 1 0.823 0.006 . . . . . . A 25 VAL HG21 . 34660 1 83 . 1 . 1 25 25 VAL HG22 H 1 0.823 0.006 . . . . . . A 25 VAL HG22 . 34660 1 84 . 1 . 1 25 25 VAL HG23 H 1 0.823 0.006 . . . . . . A 25 VAL HG23 . 34660 1 85 . 1 . 1 25 25 VAL CA C 13 60.670 0.000 . . . . . . A 25 VAL CA . 34660 1 86 . 1 . 1 25 25 VAL CB C 13 35.327 0.048 . . . . . . A 25 VAL CB . 34660 1 87 . 1 . 1 25 25 VAL CG1 C 13 21.296 0.000 . . . . . . A 25 VAL CG1 . 34660 1 88 . 1 . 1 25 25 VAL CG2 C 13 21.322 0.072 . . . . . . A 25 VAL CG2 . 34660 1 89 . 1 . 1 26 26 HIS H H 1 8.307 0.016 . . . . . . A 26 HIS H . 34660 1 90 . 1 . 1 26 26 HIS HA H 1 5.733 0.004 . . . . . . A 26 HIS HA . 34660 1 91 . 1 . 1 26 26 HIS HB3 H 1 2.457 0.008 . . . . . . A 26 HIS HB3 . 34660 1 92 . 1 . 1 26 26 HIS HD2 H 1 6.783 0.000 . . . . . . A 26 HIS HD2 . 34660 1 93 . 1 . 1 26 26 HIS CA C 13 51.941 0.003 . . . . . . A 26 HIS CA . 34660 1 94 . 1 . 1 26 26 HIS CB C 13 32.720 0.000 . . . . . . A 26 HIS CB . 34660 1 95 . 1 . 1 27 27 VAL H H 1 9.297 0.008 . . . . . . A 27 VAL H . 34660 1 96 . 1 . 1 27 27 VAL HB H 1 1.716 0.009 . . . . . . A 27 VAL HB . 34660 1 97 . 1 . 1 27 27 VAL HG11 H 1 0.930 0.008 . . . . . . A 27 VAL HG11 . 34660 1 98 . 1 . 1 27 27 VAL HG12 H 1 0.930 0.008 . . . . . . A 27 VAL HG12 . 34660 1 99 . 1 . 1 27 27 VAL HG13 H 1 0.930 0.008 . . . . . . A 27 VAL HG13 . 34660 1 100 . 1 . 1 27 27 VAL HG21 H 1 0.779 0.011 . . . . . . A 27 VAL HG21 . 34660 1 101 . 1 . 1 27 27 VAL HG22 H 1 0.779 0.011 . . . . . . A 27 VAL HG22 . 34660 1 102 . 1 . 1 27 27 VAL HG23 H 1 0.779 0.011 . . . . . . A 27 VAL HG23 . 34660 1 103 . 1 . 1 27 27 VAL CB C 13 34.808 0.005 . . . . . . A 27 VAL CB . 34660 1 104 . 1 . 1 27 27 VAL CG1 C 13 21.955 0.000 . . . . . . A 27 VAL CG1 . 34660 1 105 . 1 . 1 27 27 VAL CG2 C 13 21.541 0.000 . . . . . . A 27 VAL CG2 . 34660 1 106 . 1 . 1 28 28 PHE H H 1 8.577 0.000 . . . . . . A 28 PHE H . 34660 1 107 . 1 . 1 28 28 PHE HA H 1 4.972 0.004 . . . . . . A 28 PHE HA . 34660 1 108 . 1 . 1 28 28 PHE HB2 H 1 3.030 0.004 . . . . . . A 28 PHE HB2 . 34660 1 109 . 1 . 1 28 28 PHE HB3 H 1 2.546 0.006 . . . . . . A 28 PHE HB3 . 34660 1 110 . 1 . 1 28 28 PHE HD1 H 1 6.832 0.004 . . . . . . A 28 PHE HD1 . 34660 1 111 . 1 . 1 28 28 PHE HD2 H 1 6.832 0.004 . . . . . . A 28 PHE HD2 . 34660 1 112 . 1 . 1 28 28 PHE CA C 13 57.658 0.084 . . . . . . A 28 PHE CA . 34660 1 113 . 1 . 1 28 28 PHE CB C 13 39.526 0.028 . . . . . . A 28 PHE CB . 34660 1 114 . 1 . 1 29 29 ILE H H 1 8.853 0.006 . . . . . . A 29 ILE H . 34660 1 115 . 1 . 1 29 29 ILE HA H 1 4.952 0.008 . . . . . . A 29 ILE HA . 34660 1 116 . 1 . 1 29 29 ILE HB H 1 1.573 0.005 . . . . . . A 29 ILE HB . 34660 1 117 . 1 . 1 29 29 ILE HG12 H 1 1.289 0.010 . . . . . . A 29 ILE HG12 . 34660 1 118 . 1 . 1 29 29 ILE HG13 H 1 0.921 0.009 . . . . . . A 29 ILE HG13 . 34660 1 119 . 1 . 1 29 29 ILE HG21 H 1 0.681 0.003 . . . . . . A 29 ILE HG21 . 34660 1 120 . 1 . 1 29 29 ILE HG22 H 1 0.681 0.003 . . . . . . A 29 ILE HG22 . 34660 1 121 . 1 . 1 29 29 ILE HG23 H 1 0.681 0.003 . . . . . . A 29 ILE HG23 . 34660 1 122 . 1 . 1 29 29 ILE HD11 H 1 0.470 0.046 . . . . . . A 29 ILE HD11 . 34660 1 123 . 1 . 1 29 29 ILE HD12 H 1 0.470 0.046 . . . . . . A 29 ILE HD12 . 34660 1 124 . 1 . 1 29 29 ILE HD13 H 1 0.470 0.046 . . . . . . A 29 ILE HD13 . 34660 1 125 . 1 . 1 29 29 ILE CA C 13 57.512 0.104 . . . . . . A 29 ILE CA . 34660 1 126 . 1 . 1 29 29 ILE CB C 13 39.456 0.002 . . . . . . A 29 ILE CB . 34660 1 127 . 1 . 1 29 29 ILE CG1 C 13 24.309 0.001 . . . . . . A 29 ILE CG1 . 34660 1 128 . 1 . 1 29 29 ILE CG2 C 13 17.804 0.020 . . . . . . A 29 ILE CG2 . 34660 1 129 . 1 . 1 29 29 ILE CD1 C 13 14.025 0.007 . . . . . . A 29 ILE CD1 . 34660 1 130 . 1 . 1 30 30 PRO HA H 1 4.584 0.001 . . . . . . A 30 PRO HA . 34660 1 131 . 1 . 1 30 30 PRO HB2 H 1 2.538 0.005 . . . . . . A 30 PRO HB2 . 34660 1 132 . 1 . 1 30 30 PRO HB3 H 1 1.588 0.003 . . . . . . A 30 PRO HB3 . 34660 1 133 . 1 . 1 30 30 PRO HG2 H 1 2.113 0.007 . . . . . . A 30 PRO HG2 . 34660 1 134 . 1 . 1 30 30 PRO HG3 H 1 1.815 0.009 . . . . . . A 30 PRO HG3 . 34660 1 135 . 1 . 1 30 30 PRO HD2 H 1 3.796 0.010 . . . . . . A 30 PRO HD2 . 34660 1 136 . 1 . 1 30 30 PRO HD3 H 1 3.213 0.009 . . . . . . A 30 PRO HD3 . 34660 1 137 . 1 . 1 30 30 PRO CA C 13 62.985 0.000 . . . . . . A 30 PRO CA . 34660 1 138 . 1 . 1 30 30 PRO CB C 13 31.892 0.021 . . . . . . A 30 PRO CB . 34660 1 139 . 1 . 1 30 30 PRO CG C 13 27.834 0.102 . . . . . . A 30 PRO CG . 34660 1 140 . 1 . 1 30 30 PRO CD C 13 50.127 0.008 . . . . . . A 30 PRO CD . 34660 1 141 . 1 . 1 31 31 ALA H H 1 8.423 0.002 . . . . . . A 31 ALA H . 34660 1 142 . 1 . 1 31 31 ALA HA H 1 3.682 0.002 . . . . . . A 31 ALA HA . 34660 1 143 . 1 . 1 31 31 ALA HB1 H 1 1.273 0.005 . . . . . . A 31 ALA HB1 . 34660 1 144 . 1 . 1 31 31 ALA HB2 H 1 1.273 0.005 . . . . . . A 31 ALA HB2 . 34660 1 145 . 1 . 1 31 31 ALA HB3 H 1 1.273 0.005 . . . . . . A 31 ALA HB3 . 34660 1 146 . 1 . 1 31 31 ALA CA C 13 55.770 0.000 . . . . . . A 31 ALA CA . 34660 1 147 . 1 . 1 31 31 ALA CB C 13 18.047 0.012 . . . . . . A 31 ALA CB . 34660 1 148 . 1 . 1 32 32 GLN H H 1 9.126 0.002 . . . . . . A 32 GLN H . 34660 1 149 . 1 . 1 32 32 GLN HA H 1 4.235 0.004 . . . . . . A 32 GLN HA . 34660 1 150 . 1 . 1 32 32 GLN HB2 H 1 2.260 0.003 . . . . . . A 32 GLN HB2 . 34660 1 151 . 1 . 1 32 32 GLN HB3 H 1 2.156 0.002 . . . . . . A 32 GLN HB3 . 34660 1 152 . 1 . 1 32 32 GLN HG2 H 1 2.610 0.007 . . . . . . A 32 GLN HG2 . 34660 1 153 . 1 . 1 32 32 GLN HG3 H 1 2.429 0.006 . . . . . . A 32 GLN HG3 . 34660 1 154 . 1 . 1 32 32 GLN HE21 H 1 7.677 0.000 . . . . . . A 32 GLN HE21 . 34660 1 155 . 1 . 1 32 32 GLN HE22 H 1 6.938 0.002 . . . . . . A 32 GLN HE22 . 34660 1 156 . 1 . 1 32 32 GLN CA C 13 57.448 0.096 . . . . . . A 32 GLN CA . 34660 1 157 . 1 . 1 32 32 GLN CB C 13 27.839 0.031 . . . . . . A 32 GLN CB . 34660 1 158 . 1 . 1 32 32 GLN CG C 13 33.864 0.012 . . . . . . A 32 GLN CG . 34660 1 159 . 1 . 1 33 33 ALA H H 1 7.677 0.005 . . . . . . A 33 ALA H . 34660 1 160 . 1 . 1 33 33 ALA HA H 1 4.094 0.007 . . . . . . A 33 ALA HA . 34660 1 161 . 1 . 1 33 33 ALA HB1 H 1 0.586 0.007 . . . . . . A 33 ALA HB1 . 34660 1 162 . 1 . 1 33 33 ALA HB2 H 1 0.586 0.007 . . . . . . A 33 ALA HB2 . 34660 1 163 . 1 . 1 33 33 ALA HB3 H 1 0.586 0.007 . . . . . . A 33 ALA HB3 . 34660 1 164 . 1 . 1 33 33 ALA CA C 13 51.712 0.029 . . . . . . A 33 ALA CA . 34660 1 165 . 1 . 1 33 33 ALA CB C 13 19.344 0.032 . . . . . . A 33 ALA CB . 34660 1 166 . 1 . 1 34 34 VAL H H 1 7.106 0.003 . . . . . . A 34 VAL H . 34660 1 167 . 1 . 1 34 34 VAL HA H 1 3.259 0.009 . . . . . . A 34 VAL HA . 34660 1 168 . 1 . 1 34 34 VAL HB H 1 1.973 0.014 . . . . . . A 34 VAL HB . 34660 1 169 . 1 . 1 34 34 VAL HG11 H 1 0.957 0.018 . . . . . . A 34 VAL HG11 . 34660 1 170 . 1 . 1 34 34 VAL HG12 H 1 0.957 0.018 . . . . . . A 34 VAL HG12 . 34660 1 171 . 1 . 1 34 34 VAL HG13 H 1 0.957 0.018 . . . . . . A 34 VAL HG13 . 34660 1 172 . 1 . 1 34 34 VAL HG21 H 1 0.911 0.009 . . . . . . A 34 VAL HG21 . 34660 1 173 . 1 . 1 34 34 VAL HG22 H 1 0.911 0.009 . . . . . . A 34 VAL HG22 . 34660 1 174 . 1 . 1 34 34 VAL HG23 H 1 0.911 0.009 . . . . . . A 34 VAL HG23 . 34660 1 175 . 1 . 1 34 34 VAL CA C 13 67.241 0.025 . . . . . . A 34 VAL CA . 34660 1 176 . 1 . 1 34 34 VAL CB C 13 31.667 0.014 . . . . . . A 34 VAL CB . 34660 1 177 . 1 . 1 34 34 VAL CG1 C 13 23.519 0.041 . . . . . . A 34 VAL CG1 . 34660 1 178 . 1 . 1 34 34 VAL CG2 C 13 21.472 0.000 . . . . . . A 34 VAL CG2 . 34660 1 179 . 1 . 1 35 35 GLY H H 1 8.415 0.006 . . . . . . A 35 GLY H . 34660 1 180 . 1 . 1 35 35 GLY HA2 H 1 3.862 0.014 . . . . . . A 35 GLY HA2 . 34660 1 181 . 1 . 1 35 35 GLY HA3 H 1 3.738 0.013 . . . . . . A 35 GLY HA3 . 34660 1 182 . 1 . 1 35 35 GLY CA C 13 47.236 0.037 . . . . . . A 35 GLY CA . 34660 1 183 . 1 . 1 36 36 ALA H H 1 7.694 0.003 . . . . . . A 36 ALA H . 34660 1 184 . 1 . 1 36 36 ALA HA H 1 4.181 0.009 . . . . . . A 36 ALA HA . 34660 1 185 . 1 . 1 36 36 ALA HB1 H 1 1.406 0.009 . . . . . . A 36 ALA HB1 . 34660 1 186 . 1 . 1 36 36 ALA HB2 H 1 1.406 0.009 . . . . . . A 36 ALA HB2 . 34660 1 187 . 1 . 1 36 36 ALA HB3 H 1 1.406 0.009 . . . . . . A 36 ALA HB3 . 34660 1 188 . 1 . 1 36 36 ALA CA C 13 53.733 0.028 . . . . . . A 36 ALA CA . 34660 1 189 . 1 . 1 36 36 ALA CB C 13 18.414 0.004 . . . . . . A 36 ALA CB . 34660 1 190 . 1 . 1 37 37 ILE H H 1 7.436 0.008 . . . . . . A 37 ILE H . 34660 1 191 . 1 . 1 37 37 ILE HA H 1 3.833 0.007 . . . . . . A 37 ILE HA . 34660 1 192 . 1 . 1 37 37 ILE HB H 1 1.935 0.003 . . . . . . A 37 ILE HB . 34660 1 193 . 1 . 1 37 37 ILE HG12 H 1 1.474 0.011 . . . . . . A 37 ILE HG12 . 34660 1 194 . 1 . 1 37 37 ILE HG13 H 1 1.193 0.004 . . . . . . A 37 ILE HG13 . 34660 1 195 . 1 . 1 37 37 ILE HG21 H 1 0.745 0.009 . . . . . . A 37 ILE HG21 . 34660 1 196 . 1 . 1 37 37 ILE HG22 H 1 0.745 0.009 . . . . . . A 37 ILE HG22 . 34660 1 197 . 1 . 1 37 37 ILE HG23 H 1 0.745 0.009 . . . . . . A 37 ILE HG23 . 34660 1 198 . 1 . 1 37 37 ILE HD11 H 1 0.650 0.040 . . . . . . A 37 ILE HD11 . 34660 1 199 . 1 . 1 37 37 ILE HD12 H 1 0.650 0.040 . . . . . . A 37 ILE HD12 . 34660 1 200 . 1 . 1 37 37 ILE HD13 H 1 0.650 0.040 . . . . . . A 37 ILE HD13 . 34660 1 201 . 1 . 1 37 37 ILE CA C 13 61.285 0.026 . . . . . . A 37 ILE CA . 34660 1 202 . 1 . 1 37 37 ILE CB C 13 36.600 0.000 . . . . . . A 37 ILE CB . 34660 1 203 . 1 . 1 37 37 ILE CG1 C 13 28.125 0.087 . . . . . . A 37 ILE CG1 . 34660 1 204 . 1 . 1 37 37 ILE CG2 C 13 17.530 0.120 . . . . . . A 37 ILE CG2 . 34660 1 205 . 1 . 1 37 37 ILE CD1 C 13 11.200 0.000 . . . . . . A 37 ILE CD1 . 34660 1 206 . 1 . 1 38 38 ILE H H 1 8.192 0.008 . . . . . . A 38 ILE H . 34660 1 207 . 1 . 1 38 38 ILE HA H 1 4.008 0.011 . . . . . . A 38 ILE HA . 34660 1 208 . 1 . 1 38 38 ILE HB H 1 1.948 0.004 . . . . . . A 38 ILE HB . 34660 1 209 . 1 . 1 38 38 ILE HG12 H 1 1.643 0.012 . . . . . . A 38 ILE HG12 . 34660 1 210 . 1 . 1 38 38 ILE HG13 H 1 1.168 0.003 . . . . . . A 38 ILE HG13 . 34660 1 211 . 1 . 1 38 38 ILE HG21 H 1 1.060 0.007 . . . . . . A 38 ILE HG21 . 34660 1 212 . 1 . 1 38 38 ILE HG22 H 1 1.060 0.007 . . . . . . A 38 ILE HG22 . 34660 1 213 . 1 . 1 38 38 ILE HG23 H 1 1.060 0.007 . . . . . . A 38 ILE HG23 . 34660 1 214 . 1 . 1 38 38 ILE HD11 H 1 0.776 0.008 . . . . . . A 38 ILE HD11 . 34660 1 215 . 1 . 1 38 38 ILE HD12 H 1 0.776 0.008 . . . . . . A 38 ILE HD12 . 34660 1 216 . 1 . 1 38 38 ILE HD13 H 1 0.776 0.008 . . . . . . A 38 ILE HD13 . 34660 1 217 . 1 . 1 38 38 ILE CA C 13 64.668 0.025 . . . . . . A 38 ILE CA . 34660 1 218 . 1 . 1 38 38 ILE CB C 13 38.830 0.032 . . . . . . A 38 ILE CB . 34660 1 219 . 1 . 1 38 38 ILE CG1 C 13 27.899 0.062 . . . . . . A 38 ILE CG1 . 34660 1 220 . 1 . 1 38 38 ILE CG2 C 13 17.582 0.051 . . . . . . A 38 ILE CG2 . 34660 1 221 . 1 . 1 38 38 ILE CD1 C 13 13.198 0.040 . . . . . . A 38 ILE CD1 . 34660 1 222 . 1 . 1 39 39 GLY H H 1 7.910 0.002 . . . . . . A 39 GLY H . 34660 1 223 . 1 . 1 39 39 GLY HA2 H 1 4.170 0.007 . . . . . . A 39 GLY HA2 . 34660 1 224 . 1 . 1 39 39 GLY HA3 H 1 3.905 0.002 . . . . . . A 39 GLY HA3 . 34660 1 225 . 1 . 1 39 39 GLY CA C 13 44.275 0.000 . . . . . . A 39 GLY CA . 34660 1 226 . 1 . 1 42 42 GLY H H 1 7.860 0.000 . . . . . . A 42 GLY H . 34660 1 227 . 1 . 1 42 42 GLY HA2 H 1 4.050 0.004 . . . . . . A 42 GLY HA2 . 34660 1 228 . 1 . 1 42 42 GLY HA3 H 1 3.798 0.002 . . . . . . A 42 GLY HA3 . 34660 1 229 . 1 . 1 42 42 GLY CA C 13 46.349 0.088 . . . . . . A 42 GLY CA . 34660 1 230 . 1 . 1 44 44 HIS HA H 1 4.532 0.007 . . . . . . A 44 HIS HA . 34660 1 231 . 1 . 1 44 44 HIS HB2 H 1 3.178 0.002 . . . . . . A 44 HIS HB2 . 34660 1 232 . 1 . 1 44 44 HIS HB3 H 1 3.007 0.003 . . . . . . A 44 HIS HB3 . 34660 1 233 . 1 . 1 44 44 HIS CA C 13 59.429 0.000 . . . . . . A 44 HIS CA . 34660 1 234 . 1 . 1 44 44 HIS CB C 13 28.223 0.048 . . . . . . A 44 HIS CB . 34660 1 235 . 1 . 1 45 45 ILE H H 1 7.879 0.004 . . . . . . A 45 ILE H . 34660 1 236 . 1 . 1 45 45 ILE HA H 1 3.958 0.006 . . . . . . A 45 ILE HA . 34660 1 237 . 1 . 1 45 45 ILE HB H 1 2.060 0.005 . . . . . . A 45 ILE HB . 34660 1 238 . 1 . 1 45 45 ILE HG12 H 1 1.443 0.006 . . . . . . A 45 ILE HG12 . 34660 1 239 . 1 . 1 45 45 ILE HG13 H 1 1.237 0.007 . . . . . . A 45 ILE HG13 . 34660 1 240 . 1 . 1 45 45 ILE HG21 H 1 1.047 0.007 . . . . . . A 45 ILE HG21 . 34660 1 241 . 1 . 1 45 45 ILE HG22 H 1 1.047 0.007 . . . . . . A 45 ILE HG22 . 34660 1 242 . 1 . 1 45 45 ILE HG23 H 1 1.047 0.007 . . . . . . A 45 ILE HG23 . 34660 1 243 . 1 . 1 45 45 ILE HD11 H 1 0.786 0.007 . . . . . . A 45 ILE HD11 . 34660 1 244 . 1 . 1 45 45 ILE HD12 H 1 0.786 0.007 . . . . . . A 45 ILE HD12 . 34660 1 245 . 1 . 1 45 45 ILE HD13 H 1 0.786 0.007 . . . . . . A 45 ILE HD13 . 34660 1 246 . 1 . 1 45 45 ILE CA C 13 64.474 0.009 . . . . . . A 45 ILE CA . 34660 1 247 . 1 . 1 45 45 ILE CB C 13 37.795 0.132 . . . . . . A 45 ILE CB . 34660 1 248 . 1 . 1 45 45 ILE CG1 C 13 29.311 0.047 . . . . . . A 45 ILE CG1 . 34660 1 249 . 1 . 1 45 45 ILE CG2 C 13 17.741 0.001 . . . . . . A 45 ILE CG2 . 34660 1 250 . 1 . 1 45 45 ILE CD1 C 13 13.397 0.110 . . . . . . A 45 ILE CD1 . 34660 1 251 . 1 . 1 46 46 LYS H H 1 7.747 0.003 . . . . . . A 46 LYS H . 34660 1 252 . 1 . 1 46 46 LYS HA H 1 4.159 0.010 . . . . . . A 46 LYS HA . 34660 1 253 . 1 . 1 46 46 LYS HB2 H 1 1.904 0.002 . . . . . . A 46 LYS HB2 . 34660 1 254 . 1 . 1 46 46 LYS HB3 H 1 1.904 0.002 . . . . . . A 46 LYS HB3 . 34660 1 255 . 1 . 1 46 46 LYS HG2 H 1 1.617 0.007 . . . . . . A 46 LYS HG2 . 34660 1 256 . 1 . 1 46 46 LYS HG3 H 1 1.452 0.003 . . . . . . A 46 LYS HG3 . 34660 1 257 . 1 . 1 46 46 LYS CA C 13 59.665 0.032 . . . . . . A 46 LYS CA . 34660 1 258 . 1 . 1 46 46 LYS CB C 13 32.495 0.068 . . . . . . A 46 LYS CB . 34660 1 259 . 1 . 1 46 46 LYS CG C 13 25.328 0.017 . . . . . . A 46 LYS CG . 34660 1 260 . 1 . 1 47 47 GLN H H 1 7.932 0.003 . . . . . . A 47 GLN H . 34660 1 261 . 1 . 1 47 47 GLN HA H 1 4.132 0.000 . . . . . . A 47 GLN HA . 34660 1 262 . 1 . 1 47 47 GLN HB2 H 1 2.187 0.003 . . . . . . A 47 GLN HB2 . 34660 1 263 . 1 . 1 47 47 GLN HB3 H 1 2.130 0.002 . . . . . . A 47 GLN HB3 . 34660 1 264 . 1 . 1 47 47 GLN HG2 H 1 2.526 0.000 . . . . . . A 47 GLN HG2 . 34660 1 265 . 1 . 1 47 47 GLN HG3 H 1 2.422 0.000 . . . . . . A 47 GLN HG3 . 34660 1 266 . 1 . 1 47 47 GLN CB C 13 28.118 0.037 . . . . . . A 47 GLN CB . 34660 1 267 . 1 . 1 48 48 LEU H H 1 8.324 0.004 . . . . . . A 48 LEU H . 34660 1 268 . 1 . 1 48 48 LEU HA H 1 4.155 0.006 . . . . . . A 48 LEU HA . 34660 1 269 . 1 . 1 48 48 LEU HB2 H 1 1.632 0.003 . . . . . . A 48 LEU HB2 . 34660 1 270 . 1 . 1 48 48 LEU HB3 H 1 1.567 0.012 . . . . . . A 48 LEU HB3 . 34660 1 271 . 1 . 1 48 48 LEU HG H 1 1.543 0.001 . . . . . . A 48 LEU HG . 34660 1 272 . 1 . 1 48 48 LEU HD11 H 1 0.947 0.006 . . . . . . A 48 LEU HD11 . 34660 1 273 . 1 . 1 48 48 LEU HD12 H 1 0.947 0.006 . . . . . . A 48 LEU HD12 . 34660 1 274 . 1 . 1 48 48 LEU HD13 H 1 0.947 0.006 . . . . . . A 48 LEU HD13 . 34660 1 275 . 1 . 1 48 48 LEU HD21 H 1 0.810 0.047 . . . . . . A 48 LEU HD21 . 34660 1 276 . 1 . 1 48 48 LEU HD22 H 1 0.810 0.047 . . . . . . A 48 LEU HD22 . 34660 1 277 . 1 . 1 48 48 LEU HD23 H 1 0.810 0.047 . . . . . . A 48 LEU HD23 . 34660 1 278 . 1 . 1 48 48 LEU CA C 13 58.058 0.059 . . . . . . A 48 LEU CA . 34660 1 279 . 1 . 1 48 48 LEU CB C 13 42.179 0.061 . . . . . . A 48 LEU CB . 34660 1 280 . 1 . 1 48 48 LEU CG C 13 27.008 0.018 . . . . . . A 48 LEU CG . 34660 1 281 . 1 . 1 48 48 LEU CD1 C 13 24.383 0.030 . . . . . . A 48 LEU CD1 . 34660 1 282 . 1 . 1 48 48 LEU CD2 C 13 24.420 0.000 . . . . . . A 48 LEU CD2 . 34660 1 283 . 1 . 1 49 49 SER HA H 1 4.192 0.000 . . . . . . A 49 SER HA . 34660 1 284 . 1 . 1 49 49 SER HB2 H 1 4.074 0.000 . . . . . . A 49 SER HB2 . 34660 1 285 . 1 . 1 49 49 SER HB3 H 1 4.074 0.000 . . . . . . A 49 SER HB3 . 34660 1 286 . 1 . 1 49 49 SER CA C 13 61.940 0.000 . . . . . . A 49 SER CA . 34660 1 287 . 1 . 1 50 50 ARG H H 1 7.807 0.000 . . . . . . A 50 ARG H . 34660 1 288 . 1 . 1 50 50 ARG HA H 1 4.188 0.007 . . . . . . A 50 ARG HA . 34660 1 289 . 1 . 1 50 50 ARG HB2 H 1 1.904 0.006 . . . . . . A 50 ARG HB2 . 34660 1 290 . 1 . 1 50 50 ARG HB3 H 1 1.904 0.006 . . . . . . A 50 ARG HB3 . 34660 1 291 . 1 . 1 50 50 ARG HG2 H 1 1.727 0.011 . . . . . . A 50 ARG HG2 . 34660 1 292 . 1 . 1 50 50 ARG HG3 H 1 1.636 0.008 . . . . . . A 50 ARG HG3 . 34660 1 293 . 1 . 1 50 50 ARG HD2 H 1 3.194 0.005 . . . . . . A 50 ARG HD2 . 34660 1 294 . 1 . 1 50 50 ARG HD3 H 1 3.194 0.005 . . . . . . A 50 ARG HD3 . 34660 1 295 . 1 . 1 50 50 ARG CA C 13 58.497 0.024 . . . . . . A 50 ARG CA . 34660 1 296 . 1 . 1 50 50 ARG CB C 13 30.149 0.051 . . . . . . A 50 ARG CB . 34660 1 297 . 1 . 1 50 50 ARG CG C 13 27.213 0.023 . . . . . . A 50 ARG CG . 34660 1 298 . 1 . 1 50 50 ARG CD C 13 43.212 0.000 . . . . . . A 50 ARG CD . 34660 1 299 . 1 . 1 51 51 PHE H H 1 8.378 0.003 . . . . . . A 51 PHE H . 34660 1 300 . 1 . 1 51 51 PHE HA H 1 4.391 0.006 . . . . . . A 51 PHE HA . 34660 1 301 . 1 . 1 51 51 PHE HB2 H 1 3.328 0.005 . . . . . . A 51 PHE HB2 . 34660 1 302 . 1 . 1 51 51 PHE HB3 H 1 3.121 0.004 . . . . . . A 51 PHE HB3 . 34660 1 303 . 1 . 1 51 51 PHE HD1 H 1 7.165 0.006 . . . . . . A 51 PHE HD1 . 34660 1 304 . 1 . 1 51 51 PHE HD2 H 1 7.165 0.006 . . . . . . A 51 PHE HD2 . 34660 1 305 . 1 . 1 51 51 PHE HE1 H 1 7.185 0.000 . . . . . . A 51 PHE HE1 . 34660 1 306 . 1 . 1 51 51 PHE HE2 H 1 7.185 0.000 . . . . . . A 51 PHE HE2 . 34660 1 307 . 1 . 1 51 51 PHE CA C 13 59.940 0.077 . . . . . . A 51 PHE CA . 34660 1 308 . 1 . 1 51 51 PHE CB C 13 39.522 0.024 . . . . . . A 51 PHE CB . 34660 1 309 . 1 . 1 52 52 ALA H H 1 8.364 0.000 . . . . . . A 52 ALA H . 34660 1 310 . 1 . 1 52 52 ALA HA H 1 3.912 0.008 . . . . . . A 52 ALA HA . 34660 1 311 . 1 . 1 52 52 ALA HB1 H 1 1.417 0.010 . . . . . . A 52 ALA HB1 . 34660 1 312 . 1 . 1 52 52 ALA HB2 H 1 1.417 0.010 . . . . . . A 52 ALA HB2 . 34660 1 313 . 1 . 1 52 52 ALA HB3 H 1 1.417 0.010 . . . . . . A 52 ALA HB3 . 34660 1 314 . 1 . 1 52 52 ALA CA C 13 52.466 0.000 . . . . . . A 52 ALA CA . 34660 1 315 . 1 . 1 52 52 ALA CB C 13 20.010 0.030 . . . . . . A 52 ALA CB . 34660 1 316 . 1 . 1 53 53 SER H H 1 7.914 0.011 . . . . . . A 53 SER H . 34660 1 317 . 1 . 1 53 53 SER HA H 1 4.066 0.043 . . . . . . A 53 SER HA . 34660 1 318 . 1 . 1 53 53 SER HB2 H 1 4.129 0.002 . . . . . . A 53 SER HB2 . 34660 1 319 . 1 . 1 53 53 SER HB3 H 1 4.039 0.001 . . . . . . A 53 SER HB3 . 34660 1 320 . 1 . 1 53 53 SER CA C 13 58.937 0.000 . . . . . . A 53 SER CA . 34660 1 321 . 1 . 1 53 53 SER CB C 13 61.920 0.093 . . . . . . A 53 SER CB . 34660 1 322 . 1 . 1 54 54 ALA H H 1 7.736 0.006 . . . . . . A 54 ALA H . 34660 1 323 . 1 . 1 54 54 ALA HA H 1 4.928 0.006 . . . . . . A 54 ALA HA . 34660 1 324 . 1 . 1 54 54 ALA HB1 H 1 1.060 0.005 . . . . . . A 54 ALA HB1 . 34660 1 325 . 1 . 1 54 54 ALA HB2 H 1 1.060 0.005 . . . . . . A 54 ALA HB2 . 34660 1 326 . 1 . 1 54 54 ALA HB3 H 1 1.060 0.005 . . . . . . A 54 ALA HB3 . 34660 1 327 . 1 . 1 54 54 ALA CA C 13 49.830 0.000 . . . . . . A 54 ALA CA . 34660 1 328 . 1 . 1 54 54 ALA CB C 13 23.374 0.011 . . . . . . A 54 ALA CB . 34660 1 329 . 1 . 1 55 55 SER H H 1 8.505 0.011 . . . . . . A 55 SER H . 34660 1 330 . 1 . 1 55 55 SER HA H 1 4.764 0.003 . . . . . . A 55 SER HA . 34660 1 331 . 1 . 1 55 55 SER HB2 H 1 3.828 0.002 . . . . . . A 55 SER HB2 . 34660 1 332 . 1 . 1 55 55 SER HB3 H 1 3.828 0.002 . . . . . . A 55 SER HB3 . 34660 1 333 . 1 . 1 55 55 SER CA C 13 57.438 0.065 . . . . . . A 55 SER CA . 34660 1 334 . 1 . 1 55 55 SER CB C 13 64.046 0.110 . . . . . . A 55 SER CB . 34660 1 335 . 1 . 1 56 56 ILE H H 1 8.316 0.005 . . . . . . A 56 ILE H . 34660 1 336 . 1 . 1 56 56 ILE HA H 1 5.095 0.006 . . . . . . A 56 ILE HA . 34660 1 337 . 1 . 1 56 56 ILE HB H 1 1.575 0.004 . . . . . . A 56 ILE HB . 34660 1 338 . 1 . 1 56 56 ILE HG12 H 1 1.472 0.004 . . . . . . A 56 ILE HG12 . 34660 1 339 . 1 . 1 56 56 ILE HG13 H 1 0.875 0.023 . . . . . . A 56 ILE HG13 . 34660 1 340 . 1 . 1 56 56 ILE HG21 H 1 0.635 0.001 . . . . . . A 56 ILE HG21 . 34660 1 341 . 1 . 1 56 56 ILE HG22 H 1 0.635 0.001 . . . . . . A 56 ILE HG22 . 34660 1 342 . 1 . 1 56 56 ILE HG23 H 1 0.635 0.001 . . . . . . A 56 ILE HG23 . 34660 1 343 . 1 . 1 56 56 ILE HD11 H 1 0.679 0.011 . . . . . . A 56 ILE HD11 . 34660 1 344 . 1 . 1 56 56 ILE HD12 H 1 0.679 0.011 . . . . . . A 56 ILE HD12 . 34660 1 345 . 1 . 1 56 56 ILE HD13 H 1 0.679 0.011 . . . . . . A 56 ILE HD13 . 34660 1 346 . 1 . 1 56 56 ILE CA C 13 60.210 0.000 . . . . . . A 56 ILE CA . 34660 1 347 . 1 . 1 56 56 ILE CB C 13 40.658 0.021 . . . . . . A 56 ILE CB . 34660 1 348 . 1 . 1 56 56 ILE CG1 C 13 27.298 0.000 . . . . . . A 56 ILE CG1 . 34660 1 349 . 1 . 1 56 56 ILE CG2 C 13 17.512 0.021 . . . . . . A 56 ILE CG2 . 34660 1 350 . 1 . 1 56 56 ILE CD1 C 13 14.074 0.005 . . . . . . A 56 ILE CD1 . 34660 1 351 . 1 . 1 57 57 LYS H H 1 8.670 0.009 . . . . . . A 57 LYS H . 34660 1 352 . 1 . 1 57 57 LYS HA H 1 4.653 0.006 . . . . . . A 57 LYS HA . 34660 1 353 . 1 . 1 57 57 LYS HB2 H 1 1.761 0.003 . . . . . . A 57 LYS HB2 . 34660 1 354 . 1 . 1 57 57 LYS HB3 H 1 1.631 0.005 . . . . . . A 57 LYS HB3 . 34660 1 355 . 1 . 1 57 57 LYS HG2 H 1 1.318 0.008 . . . . . . A 57 LYS HG2 . 34660 1 356 . 1 . 1 57 57 LYS HG3 H 1 1.235 0.004 . . . . . . A 57 LYS HG3 . 34660 1 357 . 1 . 1 57 57 LYS HD2 H 1 1.606 0.012 . . . . . . A 57 LYS HD2 . 34660 1 358 . 1 . 1 57 57 LYS HD3 H 1 1.606 0.012 . . . . . . A 57 LYS HD3 . 34660 1 359 . 1 . 1 57 57 LYS HE2 H 1 2.870 0.010 . . . . . . A 57 LYS HE2 . 34660 1 360 . 1 . 1 57 57 LYS HE3 H 1 2.870 0.010 . . . . . . A 57 LYS HE3 . 34660 1 361 . 1 . 1 57 57 LYS CB C 13 36.210 0.019 . . . . . . A 57 LYS CB . 34660 1 362 . 1 . 1 57 57 LYS CG C 13 24.281 0.006 . . . . . . A 57 LYS CG . 34660 1 363 . 1 . 1 57 57 LYS CD C 13 29.306 0.049 . . . . . . A 57 LYS CD . 34660 1 364 . 1 . 1 57 57 LYS CE C 13 42.136 0.000 . . . . . . A 57 LYS CE . 34660 1 365 . 1 . 1 58 58 ILE H H 1 8.662 0.011 . . . . . . A 58 ILE H . 34660 1 366 . 1 . 1 58 58 ILE HA H 1 4.660 0.004 . . . . . . A 58 ILE HA . 34660 1 367 . 1 . 1 58 58 ILE HB H 1 1.766 0.004 . . . . . . A 58 ILE HB . 34660 1 368 . 1 . 1 58 58 ILE HG12 H 1 1.391 0.008 . . . . . . A 58 ILE HG12 . 34660 1 369 . 1 . 1 58 58 ILE HG13 H 1 1.146 0.009 . . . . . . A 58 ILE HG13 . 34660 1 370 . 1 . 1 58 58 ILE HG21 H 1 0.802 0.008 . . . . . . A 58 ILE HG21 . 34660 1 371 . 1 . 1 58 58 ILE HG22 H 1 0.802 0.008 . . . . . . A 58 ILE HG22 . 34660 1 372 . 1 . 1 58 58 ILE HG23 H 1 0.802 0.008 . . . . . . A 58 ILE HG23 . 34660 1 373 . 1 . 1 58 58 ILE HD11 H 1 0.681 0.008 . . . . . . A 58 ILE HD11 . 34660 1 374 . 1 . 1 58 58 ILE HD12 H 1 0.681 0.008 . . . . . . A 58 ILE HD12 . 34660 1 375 . 1 . 1 58 58 ILE HD13 H 1 0.681 0.008 . . . . . . A 58 ILE HD13 . 34660 1 376 . 1 . 1 58 58 ILE CB C 13 37.476 0.012 . . . . . . A 58 ILE CB . 34660 1 377 . 1 . 1 58 58 ILE CG1 C 13 27.783 0.063 . . . . . . A 58 ILE CG1 . 34660 1 378 . 1 . 1 58 58 ILE CG2 C 13 17.243 0.005 . . . . . . A 58 ILE CG2 . 34660 1 379 . 1 . 1 58 58 ILE CD1 C 13 12.790 0.037 . . . . . . A 58 ILE CD1 . 34660 1 380 . 1 . 1 59 59 ALA H H 1 8.666 0.003 . . . . . . A 59 ALA H . 34660 1 381 . 1 . 1 59 59 ALA HA H 1 4.540 0.000 . . . . . . A 59 ALA HA . 34660 1 382 . 1 . 1 59 59 ALA HB1 H 1 1.364 0.004 . . . . . . A 59 ALA HB1 . 34660 1 383 . 1 . 1 59 59 ALA HB2 H 1 1.364 0.004 . . . . . . A 59 ALA HB2 . 34660 1 384 . 1 . 1 59 59 ALA HB3 H 1 1.364 0.004 . . . . . . A 59 ALA HB3 . 34660 1 385 . 1 . 1 59 59 ALA CA C 13 50.691 0.000 . . . . . . A 59 ALA CA . 34660 1 386 . 1 . 1 59 59 ALA CB C 13 18.672 0.109 . . . . . . A 59 ALA CB . 34660 1 387 . 1 . 1 60 60 PRO HD2 H 1 3.798 0.001 . . . . . . A 60 PRO HD2 . 34660 1 388 . 1 . 1 60 60 PRO HD3 H 1 3.596 0.004 . . . . . . A 60 PRO HD3 . 34660 1 389 . 1 . 1 60 60 PRO CD C 13 50.366 0.003 . . . . . . A 60 PRO CD . 34660 1 390 . 1 . 1 61 61 PRO HA H 1 4.567 0.006 . . . . . . A 61 PRO HA . 34660 1 391 . 1 . 1 61 61 PRO HB2 H 1 2.359 0.005 . . . . . . A 61 PRO HB2 . 34660 1 392 . 1 . 1 61 61 PRO HB3 H 1 1.913 0.001 . . . . . . A 61 PRO HB3 . 34660 1 393 . 1 . 1 61 61 PRO HG2 H 1 2.056 0.009 . . . . . . A 61 PRO HG2 . 34660 1 394 . 1 . 1 61 61 PRO HG3 H 1 2.042 0.003 . . . . . . A 61 PRO HG3 . 34660 1 395 . 1 . 1 61 61 PRO HD2 H 1 3.789 0.002 . . . . . . A 61 PRO HD2 . 34660 1 396 . 1 . 1 61 61 PRO HD3 H 1 3.705 0.004 . . . . . . A 61 PRO HD3 . 34660 1 397 . 1 . 1 61 61 PRO CA C 13 61.302 0.000 . . . . . . A 61 PRO CA . 34660 1 398 . 1 . 1 61 61 PRO CB C 13 30.987 0.000 . . . . . . A 61 PRO CB . 34660 1 399 . 1 . 1 61 61 PRO CG C 13 27.862 0.000 . . . . . . A 61 PRO CG . 34660 1 400 . 1 . 1 62 62 GLU H H 1 8.910 0.003 . . . . . . A 62 GLU H . 34660 1 401 . 1 . 1 62 62 GLU HA H 1 4.058 0.008 . . . . . . A 62 GLU HA . 34660 1 402 . 1 . 1 62 62 GLU HB2 H 1 2.131 0.003 . . . . . . A 62 GLU HB2 . 34660 1 403 . 1 . 1 62 62 GLU HB3 H 1 2.131 0.003 . . . . . . A 62 GLU HB3 . 34660 1 404 . 1 . 1 62 62 GLU HG2 H 1 2.348 0.013 . . . . . . A 62 GLU HG2 . 34660 1 405 . 1 . 1 62 62 GLU HG3 H 1 2.348 0.013 . . . . . . A 62 GLU HG3 . 34660 1 406 . 1 . 1 62 62 GLU CA C 13 59.420 0.000 . . . . . . A 62 GLU CA . 34660 1 407 . 1 . 1 62 62 GLU CB C 13 30.682 0.032 . . . . . . A 62 GLU CB . 34660 1 408 . 1 . 1 62 62 GLU CG C 13 36.550 0.000 . . . . . . A 62 GLU CG . 34660 1 409 . 1 . 1 63 63 THR H H 1 7.559 0.006 . . . . . . A 63 THR H . 34660 1 410 . 1 . 1 63 63 THR HA H 1 4.805 0.006 . . . . . . A 63 THR HA . 34660 1 411 . 1 . 1 63 63 THR HB H 1 4.416 0.004 . . . . . . A 63 THR HB . 34660 1 412 . 1 . 1 63 63 THR HG21 H 1 1.225 0.005 . . . . . . A 63 THR HG21 . 34660 1 413 . 1 . 1 63 63 THR HG22 H 1 1.225 0.005 . . . . . . A 63 THR HG22 . 34660 1 414 . 1 . 1 63 63 THR HG23 H 1 1.225 0.005 . . . . . . A 63 THR HG23 . 34660 1 415 . 1 . 1 63 63 THR CA C 13 58.514 0.000 . . . . . . A 63 THR CA . 34660 1 416 . 1 . 1 63 63 THR CB C 13 70.025 0.012 . . . . . . A 63 THR CB . 34660 1 417 . 1 . 1 63 63 THR CG2 C 13 22.510 0.034 . . . . . . A 63 THR CG2 . 34660 1 418 . 1 . 1 64 64 PRO HA H 1 4.300 0.004 . . . . . . A 64 PRO HA . 34660 1 419 . 1 . 1 64 64 PRO HB2 H 1 2.373 0.006 . . . . . . A 64 PRO HB2 . 34660 1 420 . 1 . 1 64 64 PRO HB3 H 1 1.930 0.002 . . . . . . A 64 PRO HB3 . 34660 1 421 . 1 . 1 64 64 PRO HG2 H 1 2.077 0.000 . . . . . . A 64 PRO HG2 . 34660 1 422 . 1 . 1 64 64 PRO HD2 H 1 3.815 0.000 . . . . . . A 64 PRO HD2 . 34660 1 423 . 1 . 1 64 64 PRO CA C 13 64.918 0.011 . . . . . . A 64 PRO CA . 34660 1 424 . 1 . 1 64 64 PRO CB C 13 31.883 0.017 . . . . . . A 64 PRO CB . 34660 1 425 . 1 . 1 64 64 PRO CD C 13 50.778 0.000 . . . . . . A 64 PRO CD . 34660 1 426 . 1 . 1 65 65 ASP H H 1 8.028 0.000 . . . . . . A 65 ASP H . 34660 1 427 . 1 . 1 65 65 ASP HA H 1 4.653 0.000 . . . . . . A 65 ASP HA . 34660 1 428 . 1 . 1 65 65 ASP HB2 H 1 2.673 0.001 . . . . . . A 65 ASP HB2 . 34660 1 429 . 1 . 1 65 65 ASP HB3 H 1 2.673 0.001 . . . . . . A 65 ASP HB3 . 34660 1 430 . 1 . 1 65 65 ASP CB C 13 40.494 0.003 . . . . . . A 65 ASP CB . 34660 1 431 . 1 . 1 66 66 SER H H 1 7.528 0.001 . . . . . . A 66 SER H . 34660 1 432 . 1 . 1 66 66 SER HB2 H 1 4.119 0.002 . . . . . . A 66 SER HB2 . 34660 1 433 . 1 . 1 66 66 SER HB3 H 1 4.043 0.003 . . . . . . A 66 SER HB3 . 34660 1 434 . 1 . 1 66 66 SER CB C 13 63.939 0.000 . . . . . . A 66 SER CB . 34660 1 435 . 1 . 1 67 67 LYS HA H 1 4.377 0.006 . . . . . . A 67 LYS HA . 34660 1 436 . 1 . 1 67 67 LYS HB2 H 1 2.140 0.006 . . . . . . A 67 LYS HB2 . 34660 1 437 . 1 . 1 67 67 LYS HG2 H 1 1.643 0.001 . . . . . . A 67 LYS HG2 . 34660 1 438 . 1 . 1 67 67 LYS HG3 H 1 1.559 0.005 . . . . . . A 67 LYS HG3 . 34660 1 439 . 1 . 1 67 67 LYS CA C 13 57.165 0.000 . . . . . . A 67 LYS CA . 34660 1 440 . 1 . 1 67 67 LYS CB C 13 32.820 0.032 . . . . . . A 67 LYS CB . 34660 1 441 . 1 . 1 67 67 LYS CG C 13 25.135 0.069 . . . . . . A 67 LYS CG . 34660 1 442 . 1 . 1 68 68 VAL H H 1 7.776 0.012 . . . . . . A 68 VAL H . 34660 1 443 . 1 . 1 68 68 VAL HA H 1 5.205 0.007 . . . . . . A 68 VAL HA . 34660 1 444 . 1 . 1 68 68 VAL HB H 1 2.084 0.002 . . . . . . A 68 VAL HB . 34660 1 445 . 1 . 1 68 68 VAL HG11 H 1 0.891 0.006 . . . . . . A 68 VAL HG11 . 34660 1 446 . 1 . 1 68 68 VAL HG12 H 1 0.891 0.006 . . . . . . A 68 VAL HG12 . 34660 1 447 . 1 . 1 68 68 VAL HG13 H 1 0.891 0.006 . . . . . . A 68 VAL HG13 . 34660 1 448 . 1 . 1 68 68 VAL HG21 H 1 0.848 0.005 . . . . . . A 68 VAL HG21 . 34660 1 449 . 1 . 1 68 68 VAL HG22 H 1 0.848 0.005 . . . . . . A 68 VAL HG22 . 34660 1 450 . 1 . 1 68 68 VAL HG23 H 1 0.848 0.005 . . . . . . A 68 VAL HG23 . 34660 1 451 . 1 . 1 68 68 VAL CA C 13 59.253 0.138 . . . . . . A 68 VAL CA . 34660 1 452 . 1 . 1 68 68 VAL CB C 13 36.542 0.009 . . . . . . A 68 VAL CB . 34660 1 453 . 1 . 1 68 68 VAL CG1 C 13 21.376 0.076 . . . . . . A 68 VAL CG1 . 34660 1 454 . 1 . 1 68 68 VAL CG2 C 13 18.453 0.020 . . . . . . A 68 VAL CG2 . 34660 1 455 . 1 . 1 69 69 ARG H H 1 9.119 0.004 . . . . . . A 69 ARG H . 34660 1 456 . 1 . 1 69 69 ARG HB2 H 1 1.583 0.001 . . . . . . A 69 ARG HB2 . 34660 1 457 . 1 . 1 69 69 ARG HB3 H 1 1.226 0.004 . . . . . . A 69 ARG HB3 . 34660 1 458 . 1 . 1 69 69 ARG CB C 13 32.750 0.018 . . . . . . A 69 ARG CB . 34660 1 459 . 1 . 1 70 70 MET H H 1 8.864 0.006 . . . . . . A 70 MET H . 34660 1 460 . 1 . 1 70 70 MET HA H 1 3.977 0.009 . . . . . . A 70 MET HA . 34660 1 461 . 1 . 1 70 70 MET HB2 H 1 1.780 0.005 . . . . . . A 70 MET HB2 . 34660 1 462 . 1 . 1 70 70 MET HB3 H 1 1.466 0.007 . . . . . . A 70 MET HB3 . 34660 1 463 . 1 . 1 70 70 MET HG2 H 1 1.322 0.004 . . . . . . A 70 MET HG2 . 34660 1 464 . 1 . 1 70 70 MET HG3 H 1 1.008 0.011 . . . . . . A 70 MET HG3 . 34660 1 465 . 1 . 1 70 70 MET CA C 13 55.287 0.075 . . . . . . A 70 MET CA . 34660 1 466 . 1 . 1 70 70 MET CB C 13 36.761 0.002 . . . . . . A 70 MET CB . 34660 1 467 . 1 . 1 70 70 MET CG C 13 30.876 0.033 . . . . . . A 70 MET CG . 34660 1 468 . 1 . 1 71 71 VAL H H 1 9.158 0.003 . . . . . . A 71 VAL H . 34660 1 469 . 1 . 1 71 71 VAL HA H 1 4.356 0.004 . . . . . . A 71 VAL HA . 34660 1 470 . 1 . 1 71 71 VAL HB H 1 2.016 0.013 . . . . . . A 71 VAL HB . 34660 1 471 . 1 . 1 71 71 VAL HG11 H 1 0.730 0.002 . . . . . . A 71 VAL HG11 . 34660 1 472 . 1 . 1 71 71 VAL HG12 H 1 0.730 0.002 . . . . . . A 71 VAL HG12 . 34660 1 473 . 1 . 1 71 71 VAL HG13 H 1 0.730 0.002 . . . . . . A 71 VAL HG13 . 34660 1 474 . 1 . 1 71 71 VAL HG21 H 1 0.673 0.006 . . . . . . A 71 VAL HG21 . 34660 1 475 . 1 . 1 71 71 VAL HG22 H 1 0.673 0.006 . . . . . . A 71 VAL HG22 . 34660 1 476 . 1 . 1 71 71 VAL HG23 H 1 0.673 0.006 . . . . . . A 71 VAL HG23 . 34660 1 477 . 1 . 1 71 71 VAL CA C 13 61.302 0.000 . . . . . . A 71 VAL CA . 34660 1 478 . 1 . 1 71 71 VAL CB C 13 32.435 0.067 . . . . . . A 71 VAL CB . 34660 1 479 . 1 . 1 71 71 VAL CG1 C 13 21.363 0.000 . . . . . . A 71 VAL CG1 . 34660 1 480 . 1 . 1 71 71 VAL CG2 C 13 21.360 0.000 . . . . . . A 71 VAL CG2 . 34660 1 481 . 1 . 1 72 72 VAL H H 1 9.250 0.015 . . . . . . A 72 VAL H . 34660 1 482 . 1 . 1 72 72 VAL HB H 1 1.974 0.008 . . . . . . A 72 VAL HB . 34660 1 483 . 1 . 1 72 72 VAL HG11 H 1 0.860 0.007 . . . . . . A 72 VAL HG11 . 34660 1 484 . 1 . 1 72 72 VAL HG12 H 1 0.860 0.007 . . . . . . A 72 VAL HG12 . 34660 1 485 . 1 . 1 72 72 VAL HG13 H 1 0.860 0.007 . . . . . . A 72 VAL HG13 . 34660 1 486 . 1 . 1 72 72 VAL HG21 H 1 0.656 0.009 . . . . . . A 72 VAL HG21 . 34660 1 487 . 1 . 1 72 72 VAL HG22 H 1 0.656 0.009 . . . . . . A 72 VAL HG22 . 34660 1 488 . 1 . 1 72 72 VAL HG23 H 1 0.656 0.009 . . . . . . A 72 VAL HG23 . 34660 1 489 . 1 . 1 72 72 VAL CB C 13 32.535 0.055 . . . . . . A 72 VAL CB . 34660 1 490 . 1 . 1 72 72 VAL CG1 C 13 21.299 0.000 . . . . . . A 72 VAL CG1 . 34660 1 491 . 1 . 1 72 72 VAL CG2 C 13 20.477 0.008 . . . . . . A 72 VAL CG2 . 34660 1 492 . 1 . 1 73 73 ILE HA H 1 4.986 0.010 . . . . . . A 73 ILE HA . 34660 1 493 . 1 . 1 73 73 ILE HB H 1 2.030 0.015 . . . . . . A 73 ILE HB . 34660 1 494 . 1 . 1 73 73 ILE HG21 H 1 0.694 0.015 . . . . . . A 73 ILE HG21 . 34660 1 495 . 1 . 1 73 73 ILE HG22 H 1 0.694 0.015 . . . . . . A 73 ILE HG22 . 34660 1 496 . 1 . 1 73 73 ILE HG23 H 1 0.694 0.015 . . . . . . A 73 ILE HG23 . 34660 1 497 . 1 . 1 73 73 ILE HD11 H 1 0.629 0.003 . . . . . . A 73 ILE HD11 . 34660 1 498 . 1 . 1 73 73 ILE HD12 H 1 0.629 0.003 . . . . . . A 73 ILE HD12 . 34660 1 499 . 1 . 1 73 73 ILE HD13 H 1 0.629 0.003 . . . . . . A 73 ILE HD13 . 34660 1 500 . 1 . 1 73 73 ILE CA C 13 60.350 0.000 . . . . . . A 73 ILE CA . 34660 1 501 . 1 . 1 73 73 ILE CB C 13 40.100 0.000 . . . . . . A 73 ILE CB . 34660 1 502 . 1 . 1 73 73 ILE CD1 C 13 17.691 0.000 . . . . . . A 73 ILE CD1 . 34660 1 503 . 1 . 1 74 74 THR H H 1 9.248 0.006 . . . . . . A 74 THR H . 34660 1 504 . 1 . 1 74 74 THR HA H 1 5.636 0.010 . . . . . . A 74 THR HA . 34660 1 505 . 1 . 1 74 74 THR HB H 1 3.875 0.002 . . . . . . A 74 THR HB . 34660 1 506 . 1 . 1 74 74 THR HG21 H 1 1.122 0.005 . . . . . . A 74 THR HG21 . 34660 1 507 . 1 . 1 74 74 THR HG22 H 1 1.122 0.005 . . . . . . A 74 THR HG22 . 34660 1 508 . 1 . 1 74 74 THR HG23 H 1 1.122 0.005 . . . . . . A 74 THR HG23 . 34660 1 509 . 1 . 1 74 74 THR CA C 13 61.300 0.000 . . . . . . A 74 THR CA . 34660 1 510 . 1 . 1 74 74 THR CB C 13 71.150 0.054 . . . . . . A 74 THR CB . 34660 1 511 . 1 . 1 74 74 THR CG2 C 13 21.585 0.001 . . . . . . A 74 THR CG2 . 34660 1 512 . 1 . 1 75 75 GLY H H 1 8.962 0.000 . . . . . . A 75 GLY H . 34660 1 513 . 1 . 1 75 75 GLY HA2 H 1 4.259 0.127 . . . . . . A 75 GLY HA2 . 34660 1 514 . 1 . 1 75 75 GLY HA3 H 1 4.314 0.144 . . . . . . A 75 GLY HA3 . 34660 1 515 . 1 . 1 75 75 GLY CA C 13 45.697 0.000 . . . . . . A 75 GLY CA . 34660 1 516 . 1 . 1 76 76 PRO HA H 1 5.179 0.006 . . . . . . A 76 PRO HA . 34660 1 517 . 1 . 1 76 76 PRO HB2 H 1 2.466 0.002 . . . . . . A 76 PRO HB2 . 34660 1 518 . 1 . 1 76 76 PRO HB3 H 1 2.388 0.029 . . . . . . A 76 PRO HB3 . 34660 1 519 . 1 . 1 76 76 PRO HG2 H 1 2.229 0.016 . . . . . . A 76 PRO HG2 . 34660 1 520 . 1 . 1 76 76 PRO HG3 H 1 1.962 0.014 . . . . . . A 76 PRO HG3 . 34660 1 521 . 1 . 1 76 76 PRO HD2 H 1 3.637 0.013 . . . . . . A 76 PRO HD2 . 34660 1 522 . 1 . 1 76 76 PRO HD3 H 1 3.637 0.013 . . . . . . A 76 PRO HD3 . 34660 1 523 . 1 . 1 76 76 PRO CA C 13 62.625 0.118 . . . . . . A 76 PRO CA . 34660 1 524 . 1 . 1 76 76 PRO CB C 13 30.486 0.030 . . . . . . A 76 PRO CB . 34660 1 525 . 1 . 1 76 76 PRO CG C 13 27.560 0.054 . . . . . . A 76 PRO CG . 34660 1 526 . 1 . 1 76 76 PRO CD C 13 50.081 0.068 . . . . . . A 76 PRO CD . 34660 1 527 . 1 . 1 77 77 PRO HA H 1 4.014 0.006 . . . . . . A 77 PRO HA . 34660 1 528 . 1 . 1 77 77 PRO HB2 H 1 2.223 0.000 . . . . . . A 77 PRO HB2 . 34660 1 529 . 1 . 1 77 77 PRO HB3 H 1 1.968 0.000 . . . . . . A 77 PRO HB3 . 34660 1 530 . 1 . 1 77 77 PRO HG2 H 1 2.029 0.000 . . . . . . A 77 PRO HG2 . 34660 1 531 . 1 . 1 77 77 PRO HG3 H 1 2.029 0.000 . . . . . . A 77 PRO HG3 . 34660 1 532 . 1 . 1 77 77 PRO HD2 H 1 3.986 0.005 . . . . . . A 77 PRO HD2 . 34660 1 533 . 1 . 1 77 77 PRO HD3 H 1 3.799 0.006 . . . . . . A 77 PRO HD3 . 34660 1 534 . 1 . 1 77 77 PRO CA C 13 67.253 0.024 . . . . . . A 77 PRO CA . 34660 1 535 . 1 . 1 77 77 PRO CD C 13 50.444 0.026 . . . . . . A 77 PRO CD . 34660 1 536 . 1 . 1 78 78 GLU H H 1 9.564 0.000 . . . . . . A 78 GLU H . 34660 1 537 . 1 . 1 78 78 GLU HA H 1 4.132 0.037 . . . . . . A 78 GLU HA . 34660 1 538 . 1 . 1 78 78 GLU HB3 H 1 2.018 0.010 . . . . . . A 78 GLU HB3 . 34660 1 539 . 1 . 1 78 78 GLU HG2 H 1 2.357 0.004 . . . . . . A 78 GLU HG2 . 34660 1 540 . 1 . 1 78 78 GLU HG3 H 1 2.357 0.004 . . . . . . A 78 GLU HG3 . 34660 1 541 . 1 . 1 78 78 GLU CA C 13 59.878 0.028 . . . . . . A 78 GLU CA . 34660 1 542 . 1 . 1 78 78 GLU CB C 13 28.863 0.000 . . . . . . A 78 GLU CB . 34660 1 543 . 1 . 1 78 78 GLU CG C 13 36.446 0.126 . . . . . . A 78 GLU CG . 34660 1 544 . 1 . 1 79 79 ALA H H 1 7.041 0.019 . . . . . . A 79 ALA H . 34660 1 545 . 1 . 1 79 79 ALA HA H 1 4.373 0.002 . . . . . . A 79 ALA HA . 34660 1 546 . 1 . 1 79 79 ALA HB1 H 1 1.439 0.009 . . . . . . A 79 ALA HB1 . 34660 1 547 . 1 . 1 79 79 ALA HB2 H 1 1.439 0.009 . . . . . . A 79 ALA HB2 . 34660 1 548 . 1 . 1 79 79 ALA HB3 H 1 1.439 0.009 . . . . . . A 79 ALA HB3 . 34660 1 549 . 1 . 1 79 79 ALA CA C 13 54.367 0.000 . . . . . . A 79 ALA CA . 34660 1 550 . 1 . 1 79 79 ALA CB C 13 20.247 0.014 . . . . . . A 79 ALA CB . 34660 1 551 . 1 . 1 80 80 GLN H H 1 8.145 0.000 . . . . . . A 80 GLN H . 34660 1 552 . 1 . 1 80 80 GLN HA H 1 3.811 0.016 . . . . . . A 80 GLN HA . 34660 1 553 . 1 . 1 80 80 GLN HB2 H 1 2.233 0.005 . . . . . . A 80 GLN HB2 . 34660 1 554 . 1 . 1 80 80 GLN HB3 H 1 2.233 0.005 . . . . . . A 80 GLN HB3 . 34660 1 555 . 1 . 1 80 80 GLN HG2 H 1 2.622 0.000 . . . . . . A 80 GLN HG2 . 34660 1 556 . 1 . 1 80 80 GLN HG3 H 1 2.622 0.000 . . . . . . A 80 GLN HG3 . 34660 1 557 . 1 . 1 80 80 GLN HE22 H 1 6.080 0.000 . . . . . . A 80 GLN HE22 . 34660 1 558 . 1 . 1 80 80 GLN CA C 13 58.413 0.000 . . . . . . A 80 GLN CA . 34660 1 559 . 1 . 1 80 80 GLN CG C 13 31.323 0.000 . . . . . . A 80 GLN CG . 34660 1 560 . 1 . 1 81 81 PHE H H 1 7.923 0.000 . . . . . . A 81 PHE H . 34660 1 561 . 1 . 1 81 81 PHE HA H 1 4.099 0.013 . . . . . . A 81 PHE HA . 34660 1 562 . 1 . 1 81 81 PHE CA C 13 61.813 0.000 . . . . . . A 81 PHE CA . 34660 1 563 . 1 . 1 82 82 LYS H H 1 7.704 0.013 . . . . . . A 82 LYS H . 34660 1 564 . 1 . 1 82 82 LYS HA H 1 4.051 0.012 . . . . . . A 82 LYS HA . 34660 1 565 . 1 . 1 82 82 LYS HB2 H 1 1.874 0.016 . . . . . . A 82 LYS HB2 . 34660 1 566 . 1 . 1 82 82 LYS HB3 H 1 1.650 0.010 . . . . . . A 82 LYS HB3 . 34660 1 567 . 1 . 1 82 82 LYS HG2 H 1 1.945 0.000 . . . . . . A 82 LYS HG2 . 34660 1 568 . 1 . 1 82 82 LYS HG3 H 1 1.514 0.031 . . . . . . A 82 LYS HG3 . 34660 1 569 . 1 . 1 82 82 LYS HD2 H 1 1.471 0.038 . . . . . . A 82 LYS HD2 . 34660 1 570 . 1 . 1 82 82 LYS HD3 H 1 1.329 0.032 . . . . . . A 82 LYS HD3 . 34660 1 571 . 1 . 1 82 82 LYS HE2 H 1 2.786 0.021 . . . . . . A 82 LYS HE2 . 34660 1 572 . 1 . 1 82 82 LYS HE3 H 1 2.786 0.021 . . . . . . A 82 LYS HE3 . 34660 1 573 . 1 . 1 82 82 LYS CB C 13 34.340 0.068 . . . . . . A 82 LYS CB . 34660 1 574 . 1 . 1 82 82 LYS CG C 13 26.618 0.035 . . . . . . A 82 LYS CG . 34660 1 575 . 1 . 1 82 82 LYS CD C 13 30.020 0.044 . . . . . . A 82 LYS CD . 34660 1 576 . 1 . 1 82 82 LYS CE C 13 42.093 0.003 . . . . . . A 82 LYS CE . 34660 1 577 . 1 . 1 83 83 ALA HA H 1 4.002 0.007 . . . . . . A 83 ALA HA . 34660 1 578 . 1 . 1 83 83 ALA HB1 H 1 1.266 0.009 . . . . . . A 83 ALA HB1 . 34660 1 579 . 1 . 1 83 83 ALA HB2 H 1 1.266 0.009 . . . . . . A 83 ALA HB2 . 34660 1 580 . 1 . 1 83 83 ALA HB3 H 1 1.266 0.009 . . . . . . A 83 ALA HB3 . 34660 1 581 . 1 . 1 83 83 ALA CA C 13 55.253 0.035 . . . . . . A 83 ALA CA . 34660 1 582 . 1 . 1 83 83 ALA CB C 13 19.386 0.060 . . . . . . A 83 ALA CB . 34660 1 583 . 1 . 1 84 84 GLN H H 1 8.859 0.000 . . . . . . A 84 GLN H . 34660 1 584 . 1 . 1 84 84 GLN HA H 1 3.836 0.012 . . . . . . A 84 GLN HA . 34660 1 585 . 1 . 1 84 84 GLN HB2 H 1 2.336 0.005 . . . . . . A 84 GLN HB2 . 34660 1 586 . 1 . 1 84 84 GLN HB3 H 1 2.257 0.005 . . . . . . A 84 GLN HB3 . 34660 1 587 . 1 . 1 84 84 GLN HG2 H 1 2.843 0.007 . . . . . . A 84 GLN HG2 . 34660 1 588 . 1 . 1 84 84 GLN HG3 H 1 2.843 0.007 . . . . . . A 84 GLN HG3 . 34660 1 589 . 1 . 1 84 84 GLN CA C 13 60.405 0.053 . . . . . . A 84 GLN CA . 34660 1 590 . 1 . 1 84 84 GLN CB C 13 28.829 0.061 . . . . . . A 84 GLN CB . 34660 1 591 . 1 . 1 84 84 GLN CG C 13 35.856 0.312 . . . . . . A 84 GLN CG . 34660 1 592 . 1 . 1 85 85 GLY HA2 H 1 3.184 0.010 . . . . . . A 85 GLY HA2 . 34660 1 593 . 1 . 1 85 85 GLY HA3 H 1 2.351 0.003 . . . . . . A 85 GLY HA3 . 34660 1 594 . 1 . 1 85 85 GLY CA C 13 47.645 0.014 . . . . . . A 85 GLY CA . 34660 1 595 . 1 . 1 86 86 ARG H H 1 7.398 0.052 . . . . . . A 86 ARG H . 34660 1 596 . 1 . 1 86 86 ARG HA H 1 4.184 0.018 . . . . . . A 86 ARG HA . 34660 1 597 . 1 . 1 86 86 ARG HB2 H 1 1.928 0.018 . . . . . . A 86 ARG HB2 . 34660 1 598 . 1 . 1 86 86 ARG HB3 H 1 1.928 0.018 . . . . . . A 86 ARG HB3 . 34660 1 599 . 1 . 1 86 86 ARG HG2 H 1 1.748 0.005 . . . . . . A 86 ARG HG2 . 34660 1 600 . 1 . 1 86 86 ARG HG3 H 1 1.597 0.002 . . . . . . A 86 ARG HG3 . 34660 1 601 . 1 . 1 86 86 ARG HD2 H 1 3.031 0.020 . . . . . . A 86 ARG HD2 . 34660 1 602 . 1 . 1 86 86 ARG HD3 H 1 3.031 0.020 . . . . . . A 86 ARG HD3 . 34660 1 603 . 1 . 1 86 86 ARG CA C 13 57.419 0.259 . . . . . . A 86 ARG CA . 34660 1 604 . 1 . 1 86 86 ARG CB C 13 30.175 0.003 . . . . . . A 86 ARG CB . 34660 1 605 . 1 . 1 86 86 ARG CG C 13 26.552 0.004 . . . . . . A 86 ARG CG . 34660 1 606 . 1 . 1 86 86 ARG CD C 13 41.808 0.025 . . . . . . A 86 ARG CD . 34660 1 607 . 1 . 1 87 87 ILE H H 1 7.661 0.040 . . . . . . A 87 ILE H . 34660 1 608 . 1 . 1 87 87 ILE HA H 1 3.551 0.008 . . . . . . A 87 ILE HA . 34660 1 609 . 1 . 1 87 87 ILE HB H 1 2.012 0.005 . . . . . . A 87 ILE HB . 34660 1 610 . 1 . 1 87 87 ILE HG12 H 1 1.813 0.012 . . . . . . A 87 ILE HG12 . 34660 1 611 . 1 . 1 87 87 ILE HG13 H 1 0.986 0.008 . . . . . . A 87 ILE HG13 . 34660 1 612 . 1 . 1 87 87 ILE HG21 H 1 0.692 0.006 . . . . . . A 87 ILE HG21 . 34660 1 613 . 1 . 1 87 87 ILE HG22 H 1 0.692 0.006 . . . . . . A 87 ILE HG22 . 34660 1 614 . 1 . 1 87 87 ILE HG23 H 1 0.692 0.006 . . . . . . A 87 ILE HG23 . 34660 1 615 . 1 . 1 87 87 ILE HD11 H 1 0.607 0.015 . . . . . . A 87 ILE HD11 . 34660 1 616 . 1 . 1 87 87 ILE HD12 H 1 0.607 0.015 . . . . . . A 87 ILE HD12 . 34660 1 617 . 1 . 1 87 87 ILE HD13 H 1 0.607 0.015 . . . . . . A 87 ILE HD13 . 34660 1 618 . 1 . 1 87 87 ILE CA C 13 66.199 0.117 . . . . . . A 87 ILE CA . 34660 1 619 . 1 . 1 87 87 ILE CB C 13 37.550 0.000 . . . . . . A 87 ILE CB . 34660 1 620 . 1 . 1 87 87 ILE CG1 C 13 28.951 0.156 . . . . . . A 87 ILE CG1 . 34660 1 621 . 1 . 1 87 87 ILE CG2 C 13 13.480 0.036 . . . . . . A 87 ILE CG2 . 34660 1 622 . 1 . 1 87 87 ILE CD1 C 13 16.567 0.012 . . . . . . A 87 ILE CD1 . 34660 1 623 . 1 . 1 88 88 TYR H H 1 7.988 0.010 . . . . . . A 88 TYR H . 34660 1 624 . 1 . 1 88 88 TYR HA H 1 3.861 0.001 . . . . . . A 88 TYR HA . 34660 1 625 . 1 . 1 88 88 TYR HB2 H 1 2.898 0.006 . . . . . . A 88 TYR HB2 . 34660 1 626 . 1 . 1 88 88 TYR HB3 H 1 2.727 0.016 . . . . . . A 88 TYR HB3 . 34660 1 627 . 1 . 1 88 88 TYR HD1 H 1 7.421 0.008 . . . . . . A 88 TYR HD1 . 34660 1 628 . 1 . 1 88 88 TYR HD2 H 1 7.421 0.008 . . . . . . A 88 TYR HD2 . 34660 1 629 . 1 . 1 88 88 TYR HE1 H 1 7.576 0.000 . . . . . . A 88 TYR HE1 . 34660 1 630 . 1 . 1 88 88 TYR HE2 H 1 7.576 0.000 . . . . . . A 88 TYR HE2 . 34660 1 631 . 1 . 1 88 88 TYR CA C 13 63.088 0.029 . . . . . . A 88 TYR CA . 34660 1 632 . 1 . 1 88 88 TYR CB C 13 38.228 0.000 . . . . . . A 88 TYR CB . 34660 1 633 . 1 . 1 89 89 GLY H H 1 8.030 0.068 . . . . . . A 89 GLY H . 34660 1 634 . 1 . 1 89 89 GLY HA2 H 1 3.862 0.009 . . . . . . A 89 GLY HA2 . 34660 1 635 . 1 . 1 89 89 GLY HA3 H 1 3.862 0.009 . . . . . . A 89 GLY HA3 . 34660 1 636 . 1 . 1 89 89 GLY CA C 13 47.236 0.000 . . . . . . A 89 GLY CA . 34660 1 637 . 1 . 1 90 90 LYS HA H 1 4.206 0.009 . . . . . . A 90 LYS HA . 34660 1 638 . 1 . 1 90 90 LYS HB2 H 1 1.962 0.008 . . . . . . A 90 LYS HB2 . 34660 1 639 . 1 . 1 90 90 LYS HB3 H 1 1.962 0.008 . . . . . . A 90 LYS HB3 . 34660 1 640 . 1 . 1 90 90 LYS HG2 H 1 1.254 0.015 . . . . . . A 90 LYS HG2 . 34660 1 641 . 1 . 1 90 90 LYS HG3 H 1 1.254 0.015 . . . . . . A 90 LYS HG3 . 34660 1 642 . 1 . 1 90 90 LYS HD2 H 1 1.735 0.002 . . . . . . A 90 LYS HD2 . 34660 1 643 . 1 . 1 90 90 LYS HD3 H 1 1.621 0.007 . . . . . . A 90 LYS HD3 . 34660 1 644 . 1 . 1 90 90 LYS HE2 H 1 2.588 0.005 . . . . . . A 90 LYS HE2 . 34660 1 645 . 1 . 1 90 90 LYS HE3 H 1 2.588 0.005 . . . . . . A 90 LYS HE3 . 34660 1 646 . 1 . 1 90 90 LYS CA C 13 57.030 0.000 . . . . . . A 90 LYS CA . 34660 1 647 . 1 . 1 90 90 LYS CB C 13 31.588 0.000 . . . . . . A 90 LYS CB . 34660 1 648 . 1 . 1 90 90 LYS CG C 13 24.510 0.029 . . . . . . A 90 LYS CG . 34660 1 649 . 1 . 1 90 90 LYS CD C 13 27.995 0.000 . . . . . . A 90 LYS CD . 34660 1 650 . 1 . 1 90 90 LYS CE C 13 41.738 0.081 . . . . . . A 90 LYS CE . 34660 1 651 . 1 . 1 91 91 LEU H H 1 7.560 0.090 . . . . . . A 91 LEU H . 34660 1 652 . 1 . 1 91 91 LEU HA H 1 4.149 0.008 . . . . . . A 91 LEU HA . 34660 1 653 . 1 . 1 91 91 LEU HB2 H 1 2.124 0.008 . . . . . . A 91 LEU HB2 . 34660 1 654 . 1 . 1 91 91 LEU HB3 H 1 1.546 0.009 . . . . . . A 91 LEU HB3 . 34660 1 655 . 1 . 1 91 91 LEU HG H 1 1.974 0.001 . . . . . . A 91 LEU HG . 34660 1 656 . 1 . 1 91 91 LEU HD11 H 1 0.784 0.008 . . . . . . A 91 LEU HD11 . 34660 1 657 . 1 . 1 91 91 LEU HD12 H 1 0.784 0.008 . . . . . . A 91 LEU HD12 . 34660 1 658 . 1 . 1 91 91 LEU HD13 H 1 0.784 0.008 . . . . . . A 91 LEU HD13 . 34660 1 659 . 1 . 1 91 91 LEU HD21 H 1 0.584 0.003 . . . . . . A 91 LEU HD21 . 34660 1 660 . 1 . 1 91 91 LEU HD22 H 1 0.584 0.003 . . . . . . A 91 LEU HD22 . 34660 1 661 . 1 . 1 91 91 LEU HD23 H 1 0.584 0.003 . . . . . . A 91 LEU HD23 . 34660 1 662 . 1 . 1 91 91 LEU CA C 13 57.862 0.000 . . . . . . A 91 LEU CA . 34660 1 663 . 1 . 1 91 91 LEU CB C 13 41.582 0.049 . . . . . . A 91 LEU CB . 34660 1 664 . 1 . 1 91 91 LEU CG C 13 27.471 0.152 . . . . . . A 91 LEU CG . 34660 1 665 . 1 . 1 91 91 LEU CD2 C 13 24.080 0.000 . . . . . . A 91 LEU CD2 . 34660 1 666 . 1 . 1 92 92 LYS H H 1 7.664 0.006 . . . . . . A 92 LYS H . 34660 1 667 . 1 . 1 92 92 LYS HA H 1 4.306 0.004 . . . . . . A 92 LYS HA . 34660 1 668 . 1 . 1 92 92 LYS HB2 H 1 2.196 0.008 . . . . . . A 92 LYS HB2 . 34660 1 669 . 1 . 1 92 92 LYS HB3 H 1 1.979 0.009 . . . . . . A 92 LYS HB3 . 34660 1 670 . 1 . 1 92 92 LYS HG2 H 1 1.535 0.010 . . . . . . A 92 LYS HG2 . 34660 1 671 . 1 . 1 92 92 LYS HG3 H 1 1.535 0.010 . . . . . . A 92 LYS HG3 . 34660 1 672 . 1 . 1 92 92 LYS HD2 H 1 1.867 0.003 . . . . . . A 92 LYS HD2 . 34660 1 673 . 1 . 1 92 92 LYS HD3 H 1 1.780 0.005 . . . . . . A 92 LYS HD3 . 34660 1 674 . 1 . 1 92 92 LYS HE2 H 1 3.055 0.005 . . . . . . A 92 LYS HE2 . 34660 1 675 . 1 . 1 92 92 LYS HE3 H 1 3.055 0.005 . . . . . . A 92 LYS HE3 . 34660 1 676 . 1 . 1 92 92 LYS CA C 13 58.763 0.001 . . . . . . A 92 LYS CA . 34660 1 677 . 1 . 1 92 92 LYS CB C 13 32.362 0.052 . . . . . . A 92 LYS CB . 34660 1 678 . 1 . 1 92 92 LYS CG C 13 24.712 0.128 . . . . . . A 92 LYS CG . 34660 1 679 . 1 . 1 92 92 LYS CD C 13 29.139 0.000 . . . . . . A 92 LYS CD . 34660 1 680 . 1 . 1 92 92 LYS CE C 13 42.304 0.027 . . . . . . A 92 LYS CE . 34660 1 681 . 1 . 1 93 93 GLU H H 1 8.452 0.009 . . . . . . A 93 GLU H . 34660 1 682 . 1 . 1 93 93 GLU HA H 1 4.043 0.008 . . . . . . A 93 GLU HA . 34660 1 683 . 1 . 1 93 93 GLU HB2 H 1 2.227 0.002 . . . . . . A 93 GLU HB2 . 34660 1 684 . 1 . 1 93 93 GLU HB3 H 1 2.151 0.004 . . . . . . A 93 GLU HB3 . 34660 1 685 . 1 . 1 93 93 GLU HG2 H 1 2.436 0.004 . . . . . . A 93 GLU HG2 . 34660 1 686 . 1 . 1 93 93 GLU HG3 H 1 2.369 0.013 . . . . . . A 93 GLU HG3 . 34660 1 687 . 1 . 1 93 93 GLU CA C 13 59.120 0.000 . . . . . . A 93 GLU CA . 34660 1 688 . 1 . 1 93 93 GLU CB C 13 29.932 0.011 . . . . . . A 93 GLU CB . 34660 1 689 . 1 . 1 93 93 GLU CG C 13 36.294 0.012 . . . . . . A 93 GLU CG . 34660 1 690 . 1 . 1 94 94 GLU H H 1 7.671 0.002 . . . . . . A 94 GLU H . 34660 1 691 . 1 . 1 94 94 GLU HA H 1 4.350 0.007 . . . . . . A 94 GLU HA . 34660 1 692 . 1 . 1 94 94 GLU HB2 H 1 2.344 0.004 . . . . . . A 94 GLU HB2 . 34660 1 693 . 1 . 1 94 94 GLU HB3 H 1 1.809 0.007 . . . . . . A 94 GLU HB3 . 34660 1 694 . 1 . 1 94 94 GLU HG2 H 1 2.213 0.001 . . . . . . A 94 GLU HG2 . 34660 1 695 . 1 . 1 94 94 GLU HG3 H 1 2.213 0.001 . . . . . . A 94 GLU HG3 . 34660 1 696 . 1 . 1 94 94 GLU CA C 13 55.610 0.047 . . . . . . A 94 GLU CA . 34660 1 697 . 1 . 1 94 94 GLU CB C 13 29.500 0.032 . . . . . . A 94 GLU CB . 34660 1 698 . 1 . 1 94 94 GLU CG C 13 36.301 0.066 . . . . . . A 94 GLU CG . 34660 1 699 . 1 . 1 95 95 ASN H H 1 7.931 0.002 . . . . . . A 95 ASN H . 34660 1 700 . 1 . 1 95 95 ASN HA H 1 4.550 0.006 . . . . . . A 95 ASN HA . 34660 1 701 . 1 . 1 95 95 ASN HB2 H 1 2.876 0.003 . . . . . . A 95 ASN HB2 . 34660 1 702 . 1 . 1 95 95 ASN HB3 H 1 2.696 0.002 . . . . . . A 95 ASN HB3 . 34660 1 703 . 1 . 1 95 95 ASN HD21 H 1 7.392 0.001 . . . . . . A 95 ASN HD21 . 34660 1 704 . 1 . 1 95 95 ASN HD22 H 1 6.636 0.000 . . . . . . A 95 ASN HD22 . 34660 1 705 . 1 . 1 95 95 ASN CA C 13 55.000 0.068 . . . . . . A 95 ASN CA . 34660 1 706 . 1 . 1 95 95 ASN CB C 13 37.354 0.004 . . . . . . A 95 ASN CB . 34660 1 707 . 1 . 1 96 96 PHE H H 1 7.896 0.006 . . . . . . A 96 PHE H . 34660 1 708 . 1 . 1 96 96 PHE HA H 1 4.142 0.005 . . . . . . A 96 PHE HA . 34660 1 709 . 1 . 1 96 96 PHE HB2 H 1 2.829 0.005 . . . . . . A 96 PHE HB2 . 34660 1 710 . 1 . 1 96 96 PHE HB3 H 1 2.829 0.005 . . . . . . A 96 PHE HB3 . 34660 1 711 . 1 . 1 96 96 PHE HD1 H 1 7.091 0.027 . . . . . . A 96 PHE HD1 . 34660 1 712 . 1 . 1 96 96 PHE HD2 H 1 7.091 0.027 . . . . . . A 96 PHE HD2 . 34660 1 713 . 1 . 1 96 96 PHE HE1 H 1 7.230 0.000 . . . . . . A 96 PHE HE1 . 34660 1 714 . 1 . 1 96 96 PHE HE2 H 1 7.230 0.000 . . . . . . A 96 PHE HE2 . 34660 1 715 . 1 . 1 96 96 PHE HZ H 1 7.173 0.000 . . . . . . A 96 PHE HZ . 34660 1 716 . 1 . 1 96 96 PHE CA C 13 61.651 0.022 . . . . . . A 96 PHE CA . 34660 1 717 . 1 . 1 96 96 PHE CB C 13 39.245 0.140 . . . . . . A 96 PHE CB . 34660 1 718 . 1 . 1 97 97 PHE H H 1 8.347 0.002 . . . . . . A 97 PHE H . 34660 1 719 . 1 . 1 97 97 PHE HA H 1 4.574 0.000 . . . . . . A 97 PHE HA . 34660 1 720 . 1 . 1 97 97 PHE HB2 H 1 3.258 0.002 . . . . . . A 97 PHE HB2 . 34660 1 721 . 1 . 1 97 97 PHE HB3 H 1 2.775 0.027 . . . . . . A 97 PHE HB3 . 34660 1 722 . 1 . 1 97 97 PHE HD1 H 1 7.344 0.002 . . . . . . A 97 PHE HD1 . 34660 1 723 . 1 . 1 97 97 PHE HD2 H 1 7.344 0.002 . . . . . . A 97 PHE HD2 . 34660 1 724 . 1 . 1 97 97 PHE HE1 H 1 7.153 0.000 . . . . . . A 97 PHE HE1 . 34660 1 725 . 1 . 1 97 97 PHE HE2 H 1 7.153 0.000 . . . . . . A 97 PHE HE2 . 34660 1 726 . 1 . 1 97 97 PHE CB C 13 40.735 0.043 . . . . . . A 97 PHE CB . 34660 1 727 . 1 . 1 98 98 GLY H H 1 8.394 0.057 . . . . . . A 98 GLY H . 34660 1 728 . 1 . 1 98 98 GLY HA2 H 1 4.171 0.004 . . . . . . A 98 GLY HA2 . 34660 1 729 . 1 . 1 98 98 GLY HA3 H 1 4.171 0.004 . . . . . . A 98 GLY HA3 . 34660 1 730 . 1 . 1 98 98 GLY CA C 13 44.806 0.002 . . . . . . A 98 GLY CA . 34660 1 731 . 1 . 1 99 99 PRO HA H 1 4.421 0.007 . . . . . . A 99 PRO HA . 34660 1 732 . 1 . 1 99 99 PRO HB2 H 1 2.343 0.004 . . . . . . A 99 PRO HB2 . 34660 1 733 . 1 . 1 99 99 PRO HB3 H 1 2.004 0.044 . . . . . . A 99 PRO HB3 . 34660 1 734 . 1 . 1 99 99 PRO HG2 H 1 2.061 0.004 . . . . . . A 99 PRO HG2 . 34660 1 735 . 1 . 1 99 99 PRO HG3 H 1 2.061 0.004 . . . . . . A 99 PRO HG3 . 34660 1 736 . 1 . 1 99 99 PRO HD2 H 1 3.717 0.008 . . . . . . A 99 PRO HD2 . 34660 1 737 . 1 . 1 99 99 PRO HD3 H 1 3.717 0.008 . . . . . . A 99 PRO HD3 . 34660 1 738 . 1 . 1 99 99 PRO CA C 13 64.769 0.007 . . . . . . A 99 PRO CA . 34660 1 739 . 1 . 1 99 99 PRO CB C 13 32.130 0.006 . . . . . . A 99 PRO CB . 34660 1 740 . 1 . 1 99 99 PRO CG C 13 27.460 0.020 . . . . . . A 99 PRO CG . 34660 1 741 . 1 . 1 99 99 PRO CD C 13 49.957 0.027 . . . . . . A 99 PRO CD . 34660 1 742 . 1 . 1 100 100 LYS H H 1 8.550 0.009 . . . . . . A 100 LYS H . 34660 1 743 . 1 . 1 100 100 LYS HA H 1 4.367 0.002 . . . . . . A 100 LYS HA . 34660 1 744 . 1 . 1 100 100 LYS HB2 H 1 2.010 0.009 . . . . . . A 100 LYS HB2 . 34660 1 745 . 1 . 1 100 100 LYS HB3 H 1 1.985 0.001 . . . . . . A 100 LYS HB3 . 34660 1 746 . 1 . 1 100 100 LYS HG2 H 1 1.402 0.003 . . . . . . A 100 LYS HG2 . 34660 1 747 . 1 . 1 100 100 LYS HG3 H 1 1.402 0.003 . . . . . . A 100 LYS HG3 . 34660 1 748 . 1 . 1 100 100 LYS HE2 H 1 2.976 0.001 . . . . . . A 100 LYS HE2 . 34660 1 749 . 1 . 1 100 100 LYS HE3 H 1 2.976 0.001 . . . . . . A 100 LYS HE3 . 34660 1 750 . 1 . 1 100 100 LYS CA C 13 55.956 0.013 . . . . . . A 100 LYS CA . 34660 1 751 . 1 . 1 100 100 LYS CB C 13 31.924 0.000 . . . . . . A 100 LYS CB . 34660 1 752 . 1 . 1 100 100 LYS CG C 13 25.064 0.005 . . . . . . A 100 LYS CG . 34660 1 753 . 1 . 1 100 100 LYS CE C 13 42.149 0.000 . . . . . . A 100 LYS CE . 34660 1 754 . 1 . 1 101 101 GLU H H 1 7.603 0.003 . . . . . . A 101 GLU H . 34660 1 755 . 1 . 1 101 101 GLU HA H 1 4.404 0.002 . . . . . . A 101 GLU HA . 34660 1 756 . 1 . 1 101 101 GLU HB2 H 1 2.122 0.001 . . . . . . A 101 GLU HB2 . 34660 1 757 . 1 . 1 101 101 GLU HB3 H 1 1.992 0.000 . . . . . . A 101 GLU HB3 . 34660 1 758 . 1 . 1 101 101 GLU HG2 H 1 2.292 0.006 . . . . . . A 101 GLU HG2 . 34660 1 759 . 1 . 1 101 101 GLU HG3 H 1 2.292 0.006 . . . . . . A 101 GLU HG3 . 34660 1 760 . 1 . 1 101 101 GLU CA C 13 55.438 0.002 . . . . . . A 101 GLU CA . 34660 1 761 . 1 . 1 101 101 GLU CB C 13 31.543 0.040 . . . . . . A 101 GLU CB . 34660 1 762 . 1 . 1 101 101 GLU CG C 13 36.298 0.001 . . . . . . A 101 GLU CG . 34660 1 763 . 1 . 1 102 102 GLU H H 1 8.455 0.005 . . . . . . A 102 GLU H . 34660 1 764 . 1 . 1 102 102 GLU HA H 1 4.341 0.001 . . . . . . A 102 GLU HA . 34660 1 765 . 1 . 1 102 102 GLU HB2 H 1 1.903 0.004 . . . . . . A 102 GLU HB2 . 34660 1 766 . 1 . 1 102 102 GLU HB3 H 1 1.806 0.006 . . . . . . A 102 GLU HB3 . 34660 1 767 . 1 . 1 102 102 GLU HG2 H 1 2.228 0.005 . . . . . . A 102 GLU HG2 . 34660 1 768 . 1 . 1 102 102 GLU HG3 H 1 2.228 0.005 . . . . . . A 102 GLU HG3 . 34660 1 769 . 1 . 1 102 102 GLU CA C 13 55.424 0.019 . . . . . . A 102 GLU CA . 34660 1 770 . 1 . 1 102 102 GLU CB C 13 30.524 0.066 . . . . . . A 102 GLU CB . 34660 1 771 . 1 . 1 102 102 GLU CG C 13 35.987 0.000 . . . . . . A 102 GLU CG . 34660 1 772 . 1 . 1 103 103 VAL H H 1 8.560 0.005 . . . . . . A 103 VAL H . 34660 1 773 . 1 . 1 103 103 VAL HA H 1 3.013 0.004 . . . . . . A 103 VAL HA . 34660 1 774 . 1 . 1 103 103 VAL HB H 1 2.137 0.003 . . . . . . A 103 VAL HB . 34660 1 775 . 1 . 1 103 103 VAL HG11 H 1 0.937 0.002 . . . . . . A 103 VAL HG11 . 34660 1 776 . 1 . 1 103 103 VAL HG12 H 1 0.937 0.002 . . . . . . A 103 VAL HG12 . 34660 1 777 . 1 . 1 103 103 VAL HG13 H 1 0.937 0.002 . . . . . . A 103 VAL HG13 . 34660 1 778 . 1 . 1 103 103 VAL HG21 H 1 0.657 0.020 . . . . . . A 103 VAL HG21 . 34660 1 779 . 1 . 1 103 103 VAL HG22 H 1 0.657 0.020 . . . . . . A 103 VAL HG22 . 34660 1 780 . 1 . 1 103 103 VAL HG23 H 1 0.657 0.020 . . . . . . A 103 VAL HG23 . 34660 1 781 . 1 . 1 103 103 VAL CA C 13 64.095 0.000 . . . . . . A 103 VAL CA . 34660 1 782 . 1 . 1 103 103 VAL CB C 13 32.025 0.012 . . . . . . A 103 VAL CB . 34660 1 783 . 1 . 1 103 103 VAL CG1 C 13 21.358 0.002 . . . . . . A 103 VAL CG1 . 34660 1 784 . 1 . 1 103 103 VAL CG2 C 13 21.428 0.167 . . . . . . A 103 VAL CG2 . 34660 1 785 . 1 . 1 104 104 LYS H H 1 7.164 0.010 . . . . . . A 104 LYS H . 34660 1 786 . 1 . 1 104 104 LYS HB2 H 1 1.625 0.003 . . . . . . A 104 LYS HB2 . 34660 1 787 . 1 . 1 104 104 LYS HB3 H 1 1.538 0.003 . . . . . . A 104 LYS HB3 . 34660 1 788 . 1 . 1 104 104 LYS HG2 H 1 1.249 0.004 . . . . . . A 104 LYS HG2 . 34660 1 789 . 1 . 1 104 104 LYS HG3 H 1 1.138 0.008 . . . . . . A 104 LYS HG3 . 34660 1 790 . 1 . 1 104 104 LYS HD2 H 1 1.672 0.005 . . . . . . A 104 LYS HD2 . 34660 1 791 . 1 . 1 104 104 LYS HD3 H 1 1.672 0.005 . . . . . . A 104 LYS HD3 . 34660 1 792 . 1 . 1 104 104 LYS HE2 H 1 2.933 0.004 . . . . . . A 104 LYS HE2 . 34660 1 793 . 1 . 1 104 104 LYS HE3 H 1 2.933 0.004 . . . . . . A 104 LYS HE3 . 34660 1 794 . 1 . 1 104 104 LYS CB C 13 35.033 0.028 . . . . . . A 104 LYS CB . 34660 1 795 . 1 . 1 104 104 LYS CG C 13 25.140 0.000 . . . . . . A 104 LYS CG . 34660 1 796 . 1 . 1 104 104 LYS CD C 13 29.610 0.000 . . . . . . A 104 LYS CD . 34660 1 797 . 1 . 1 104 104 LYS CE C 13 41.898 0.009 . . . . . . A 104 LYS CE . 34660 1 798 . 1 . 1 105 105 LEU H H 1 7.396 0.002 . . . . . . A 105 LEU H . 34660 1 799 . 1 . 1 105 105 LEU HA H 1 4.971 0.006 . . . . . . A 105 LEU HA . 34660 1 800 . 1 . 1 105 105 LEU HB2 H 1 1.559 0.007 . . . . . . A 105 LEU HB2 . 34660 1 801 . 1 . 1 105 105 LEU HB3 H 1 1.455 0.006 . . . . . . A 105 LEU HB3 . 34660 1 802 . 1 . 1 105 105 LEU HG H 1 0.801 0.004 . . . . . . A 105 LEU HG . 34660 1 803 . 1 . 1 105 105 LEU HD11 H 1 0.963 0.005 . . . . . . A 105 LEU HD11 . 34660 1 804 . 1 . 1 105 105 LEU HD12 H 1 0.963 0.005 . . . . . . A 105 LEU HD12 . 34660 1 805 . 1 . 1 105 105 LEU HD13 H 1 0.963 0.005 . . . . . . A 105 LEU HD13 . 34660 1 806 . 1 . 1 105 105 LEU HD21 H 1 -0.137 0.005 . . . . . . A 105 LEU HD21 . 34660 1 807 . 1 . 1 105 105 LEU HD22 H 1 -0.137 0.005 . . . . . . A 105 LEU HD22 . 34660 1 808 . 1 . 1 105 105 LEU HD23 H 1 -0.137 0.005 . . . . . . A 105 LEU HD23 . 34660 1 809 . 1 . 1 105 105 LEU CA C 13 52.977 0.098 . . . . . . A 105 LEU CA . 34660 1 810 . 1 . 1 105 105 LEU CB C 13 45.674 0.002 . . . . . . A 105 LEU CB . 34660 1 811 . 1 . 1 105 105 LEU CG C 13 27.857 0.016 . . . . . . A 105 LEU CG . 34660 1 812 . 1 . 1 105 105 LEU CD1 C 13 22.240 0.012 . . . . . . A 105 LEU CD1 . 34660 1 813 . 1 . 1 105 105 LEU CD2 C 13 24.213 0.009 . . . . . . A 105 LEU CD2 . 34660 1 814 . 1 . 1 106 106 GLU H H 1 8.844 0.004 . . . . . . A 106 GLU H . 34660 1 815 . 1 . 1 106 106 GLU HA H 1 4.989 0.006 . . . . . . A 106 GLU HA . 34660 1 816 . 1 . 1 106 106 GLU HB2 H 1 2.048 0.003 . . . . . . A 106 GLU HB2 . 34660 1 817 . 1 . 1 106 106 GLU HB3 H 1 2.007 0.001 . . . . . . A 106 GLU HB3 . 34660 1 818 . 1 . 1 106 106 GLU CA C 13 55.436 0.000 . . . . . . A 106 GLU CA . 34660 1 819 . 1 . 1 106 106 GLU CB C 13 31.543 0.032 . . . . . . A 106 GLU CB . 34660 1 820 . 1 . 1 107 107 THR HA H 1 5.528 0.005 . . . . . . A 107 THR HA . 34660 1 821 . 1 . 1 107 107 THR HB H 1 3.956 0.003 . . . . . . A 107 THR HB . 34660 1 822 . 1 . 1 107 107 THR HG21 H 1 1.115 0.007 . . . . . . A 107 THR HG21 . 34660 1 823 . 1 . 1 107 107 THR HG22 H 1 1.115 0.007 . . . . . . A 107 THR HG22 . 34660 1 824 . 1 . 1 107 107 THR HG23 H 1 1.115 0.007 . . . . . . A 107 THR HG23 . 34660 1 825 . 1 . 1 107 107 THR CA C 13 61.496 0.028 . . . . . . A 107 THR CA . 34660 1 826 . 1 . 1 107 107 THR CB C 13 71.686 0.132 . . . . . . A 107 THR CB . 34660 1 827 . 1 . 1 107 107 THR CG2 C 13 21.495 0.016 . . . . . . A 107 THR CG2 . 34660 1 828 . 1 . 1 108 108 HIS H H 1 10.149 0.000 . . . . . . A 108 HIS H . 34660 1 829 . 1 . 1 108 108 HIS HA H 1 6.191 0.002 . . . . . . A 108 HIS HA . 34660 1 830 . 1 . 1 108 108 HIS HB2 H 1 3.104 0.088 . . . . . . A 108 HIS HB2 . 34660 1 831 . 1 . 1 108 108 HIS HB3 H 1 3.280 0.096 . . . . . . A 108 HIS HB3 . 34660 1 832 . 1 . 1 108 108 HIS HD2 H 1 6.991 0.000 . . . . . . A 108 HIS HD2 . 34660 1 833 . 1 . 1 108 108 HIS CA C 13 53.100 0.009 . . . . . . A 108 HIS CA . 34660 1 834 . 1 . 1 108 108 HIS CB C 13 35.132 0.000 . . . . . . A 108 HIS CB . 34660 1 835 . 1 . 1 109 109 ILE H H 1 8.835 0.000 . . . . . . A 109 ILE H . 34660 1 836 . 1 . 1 109 109 ILE HA H 1 4.800 0.002 . . . . . . A 109 ILE HA . 34660 1 837 . 1 . 1 109 109 ILE HB H 1 1.972 0.007 . . . . . . A 109 ILE HB . 34660 1 838 . 1 . 1 109 109 ILE HG12 H 1 1.285 0.004 . . . . . . A 109 ILE HG12 . 34660 1 839 . 1 . 1 109 109 ILE HG13 H 1 0.992 0.005 . . . . . . A 109 ILE HG13 . 34660 1 840 . 1 . 1 109 109 ILE HG21 H 1 0.895 0.008 . . . . . . A 109 ILE HG21 . 34660 1 841 . 1 . 1 109 109 ILE HG22 H 1 0.895 0.008 . . . . . . A 109 ILE HG22 . 34660 1 842 . 1 . 1 109 109 ILE HG23 H 1 0.895 0.008 . . . . . . A 109 ILE HG23 . 34660 1 843 . 1 . 1 109 109 ILE HD11 H 1 0.725 0.013 . . . . . . A 109 ILE HD11 . 34660 1 844 . 1 . 1 109 109 ILE HD12 H 1 0.725 0.013 . . . . . . A 109 ILE HD12 . 34660 1 845 . 1 . 1 109 109 ILE HD13 H 1 0.725 0.013 . . . . . . A 109 ILE HD13 . 34660 1 846 . 1 . 1 109 109 ILE CA C 13 59.429 0.000 . . . . . . A 109 ILE CA . 34660 1 847 . 1 . 1 109 109 ILE CB C 13 40.996 0.019 . . . . . . A 109 ILE CB . 34660 1 848 . 1 . 1 109 109 ILE CG1 C 13 26.605 0.005 . . . . . . A 109 ILE CG1 . 34660 1 849 . 1 . 1 109 109 ILE CG2 C 13 18.800 0.000 . . . . . . A 109 ILE CG2 . 34660 1 850 . 1 . 1 109 109 ILE CD1 C 13 14.130 0.025 . . . . . . A 109 ILE CD1 . 34660 1 851 . 1 . 1 110 110 ARG H H 1 8.621 0.006 . . . . . . A 110 ARG H . 34660 1 852 . 1 . 1 110 110 ARG HA H 1 5.376 0.005 . . . . . . A 110 ARG HA . 34660 1 853 . 1 . 1 110 110 ARG HB2 H 1 1.643 0.009 . . . . . . A 110 ARG HB2 . 34660 1 854 . 1 . 1 110 110 ARG HB3 H 1 1.562 0.001 . . . . . . A 110 ARG HB3 . 34660 1 855 . 1 . 1 110 110 ARG HG2 H 1 1.653 0.006 . . . . . . A 110 ARG HG2 . 34660 1 856 . 1 . 1 110 110 ARG HG3 H 1 1.365 0.007 . . . . . . A 110 ARG HG3 . 34660 1 857 . 1 . 1 110 110 ARG HD2 H 1 2.994 0.006 . . . . . . A 110 ARG HD2 . 34660 1 858 . 1 . 1 110 110 ARG HD3 H 1 2.879 0.005 . . . . . . A 110 ARG HD3 . 34660 1 859 . 1 . 1 110 110 ARG CA C 13 54.370 0.000 . . . . . . A 110 ARG CA . 34660 1 860 . 1 . 1 110 110 ARG CB C 13 32.232 0.004 . . . . . . A 110 ARG CB . 34660 1 861 . 1 . 1 110 110 ARG CG C 13 27.842 0.020 . . . . . . A 110 ARG CG . 34660 1 862 . 1 . 1 110 110 ARG CD C 13 43.475 0.078 . . . . . . A 110 ARG CD . 34660 1 863 . 1 . 1 111 111 VAL H H 1 8.887 0.000 . . . . . . A 111 VAL H . 34660 1 864 . 1 . 1 111 111 VAL HA H 1 4.857 0.008 . . . . . . A 111 VAL HA . 34660 1 865 . 1 . 1 111 111 VAL HB H 1 1.983 0.004 . . . . . . A 111 VAL HB . 34660 1 866 . 1 . 1 111 111 VAL HG11 H 1 0.691 0.014 . . . . . . A 111 VAL HG11 . 34660 1 867 . 1 . 1 111 111 VAL HG12 H 1 0.691 0.014 . . . . . . A 111 VAL HG12 . 34660 1 868 . 1 . 1 111 111 VAL HG13 H 1 0.691 0.014 . . . . . . A 111 VAL HG13 . 34660 1 869 . 1 . 1 111 111 VAL HG21 H 1 0.471 0.006 . . . . . . A 111 VAL HG21 . 34660 1 870 . 1 . 1 111 111 VAL HG22 H 1 0.471 0.006 . . . . . . A 111 VAL HG22 . 34660 1 871 . 1 . 1 111 111 VAL HG23 H 1 0.471 0.006 . . . . . . A 111 VAL HG23 . 34660 1 872 . 1 . 1 111 111 VAL CA C 13 57.015 0.015 . . . . . . A 111 VAL CA . 34660 1 873 . 1 . 1 111 111 VAL CB C 13 33.452 0.069 . . . . . . A 111 VAL CB . 34660 1 874 . 1 . 1 111 111 VAL CG1 C 13 21.913 0.032 . . . . . . A 111 VAL CG1 . 34660 1 875 . 1 . 1 111 111 VAL CG2 C 13 18.170 0.000 . . . . . . A 111 VAL CG2 . 34660 1 876 . 1 . 1 112 112 PRO HA H 1 4.411 0.061 . . . . . . A 112 PRO HA . 34660 1 877 . 1 . 1 112 112 PRO HB2 H 1 2.106 0.180 . . . . . . A 112 PRO HB2 . 34660 1 878 . 1 . 1 112 112 PRO HB3 H 1 1.801 0.004 . . . . . . A 112 PRO HB3 . 34660 1 879 . 1 . 1 112 112 PRO HG2 H 1 2.036 0.005 . . . . . . A 112 PRO HG2 . 34660 1 880 . 1 . 1 112 112 PRO HG3 H 1 2.036 0.005 . . . . . . A 112 PRO HG3 . 34660 1 881 . 1 . 1 112 112 PRO HD2 H 1 3.907 0.012 . . . . . . A 112 PRO HD2 . 34660 1 882 . 1 . 1 112 112 PRO HD3 H 1 3.325 0.005 . . . . . . A 112 PRO HD3 . 34660 1 883 . 1 . 1 112 112 PRO CB C 13 32.230 0.000 . . . . . . A 112 PRO CB . 34660 1 884 . 1 . 1 112 112 PRO CG C 13 28.174 0.000 . . . . . . A 112 PRO CG . 34660 1 885 . 1 . 1 112 112 PRO CD C 13 50.870 0.044 . . . . . . A 112 PRO CD . 34660 1 886 . 1 . 1 113 113 ALA H H 1 9.170 0.002 . . . . . . A 113 ALA H . 34660 1 887 . 1 . 1 113 113 ALA HA H 1 3.988 0.003 . . . . . . A 113 ALA HA . 34660 1 888 . 1 . 1 113 113 ALA HB1 H 1 1.396 0.003 . . . . . . A 113 ALA HB1 . 34660 1 889 . 1 . 1 113 113 ALA HB2 H 1 1.396 0.003 . . . . . . A 113 ALA HB2 . 34660 1 890 . 1 . 1 113 113 ALA HB3 H 1 1.396 0.003 . . . . . . A 113 ALA HB3 . 34660 1 891 . 1 . 1 113 113 ALA CA C 13 55.558 0.122 . . . . . . A 113 ALA CA . 34660 1 892 . 1 . 1 113 113 ALA CB C 13 18.024 0.000 . . . . . . A 113 ALA CB . 34660 1 893 . 1 . 1 114 114 SER HA H 1 4.195 0.002 . . . . . . A 114 SER HA . 34660 1 894 . 1 . 1 114 114 SER HB2 H 1 4.046 0.000 . . . . . . A 114 SER HB2 . 34660 1 895 . 1 . 1 114 114 SER HB3 H 1 4.046 0.000 . . . . . . A 114 SER HB3 . 34660 1 896 . 1 . 1 114 114 SER CA C 13 60.036 0.025 . . . . . . A 114 SER CA . 34660 1 897 . 1 . 1 115 115 ALA H H 1 8.028 0.009 . . . . . . A 115 ALA H . 34660 1 898 . 1 . 1 115 115 ALA HA H 1 4.453 0.006 . . . . . . A 115 ALA HA . 34660 1 899 . 1 . 1 115 115 ALA HB1 H 1 1.327 0.005 . . . . . . A 115 ALA HB1 . 34660 1 900 . 1 . 1 115 115 ALA HB2 H 1 1.327 0.005 . . . . . . A 115 ALA HB2 . 34660 1 901 . 1 . 1 115 115 ALA HB3 H 1 1.327 0.005 . . . . . . A 115 ALA HB3 . 34660 1 902 . 1 . 1 115 115 ALA CA C 13 51.706 0.000 . . . . . . A 115 ALA CA . 34660 1 903 . 1 . 1 115 115 ALA CB C 13 20.266 0.014 . . . . . . A 115 ALA CB . 34660 1 904 . 1 . 1 116 116 ALA H H 1 7.281 0.142 . . . . . . A 116 ALA H . 34660 1 905 . 1 . 1 116 116 ALA HA H 1 3.404 0.004 . . . . . . A 116 ALA HA . 34660 1 906 . 1 . 1 116 116 ALA HB1 H 1 1.223 0.006 . . . . . . A 116 ALA HB1 . 34660 1 907 . 1 . 1 116 116 ALA HB2 H 1 1.223 0.006 . . . . . . A 116 ALA HB2 . 34660 1 908 . 1 . 1 116 116 ALA HB3 H 1 1.223 0.006 . . . . . . A 116 ALA HB3 . 34660 1 909 . 1 . 1 116 116 ALA CA C 13 56.920 0.000 . . . . . . A 116 ALA CA . 34660 1 910 . 1 . 1 116 116 ALA CB C 13 18.170 0.000 . . . . . . A 116 ALA CB . 34660 1 911 . 1 . 1 117 117 GLY H H 1 8.424 0.004 . . . . . . A 117 GLY H . 34660 1 912 . 1 . 1 117 117 GLY HA2 H 1 3.981 0.009 . . . . . . A 117 GLY HA2 . 34660 1 913 . 1 . 1 117 117 GLY HA3 H 1 3.720 0.003 . . . . . . A 117 GLY HA3 . 34660 1 914 . 1 . 1 117 117 GLY CA C 13 46.300 0.000 . . . . . . A 117 GLY CA . 34660 1 915 . 1 . 1 118 118 ARG H H 1 7.361 0.000 . . . . . . A 118 ARG H . 34660 1 916 . 1 . 1 118 118 ARG HB2 H 1 1.809 0.003 . . . . . . A 118 ARG HB2 . 34660 1 917 . 1 . 1 118 118 ARG HB3 H 1 1.809 0.003 . . . . . . A 118 ARG HB3 . 34660 1 918 . 1 . 1 118 118 ARG HG2 H 1 1.630 0.003 . . . . . . A 118 ARG HG2 . 34660 1 919 . 1 . 1 118 118 ARG HG3 H 1 1.630 0.003 . . . . . . A 118 ARG HG3 . 34660 1 920 . 1 . 1 118 118 ARG HD2 H 1 3.147 0.002 . . . . . . A 118 ARG HD2 . 34660 1 921 . 1 . 1 118 118 ARG HD3 H 1 3.052 0.004 . . . . . . A 118 ARG HD3 . 34660 1 922 . 1 . 1 118 118 ARG CB C 13 29.737 0.000 . . . . . . A 118 ARG CB . 34660 1 923 . 1 . 1 118 118 ARG CG C 13 28.203 0.004 . . . . . . A 118 ARG CG . 34660 1 924 . 1 . 1 118 118 ARG CD C 13 43.170 0.000 . . . . . . A 118 ARG CD . 34660 1 925 . 1 . 1 119 119 VAL H H 1 7.199 0.001 . . . . . . A 119 VAL H . 34660 1 926 . 1 . 1 119 119 VAL HA H 1 3.335 0.003 . . . . . . A 119 VAL HA . 34660 1 927 . 1 . 1 119 119 VAL HB H 1 1.934 0.006 . . . . . . A 119 VAL HB . 34660 1 928 . 1 . 1 119 119 VAL HG11 H 1 0.734 0.015 . . . . . . A 119 VAL HG11 . 34660 1 929 . 1 . 1 119 119 VAL HG12 H 1 0.734 0.015 . . . . . . A 119 VAL HG12 . 34660 1 930 . 1 . 1 119 119 VAL HG13 H 1 0.734 0.015 . . . . . . A 119 VAL HG13 . 34660 1 931 . 1 . 1 119 119 VAL HG21 H 1 0.503 0.007 . . . . . . A 119 VAL HG21 . 34660 1 932 . 1 . 1 119 119 VAL HG22 H 1 0.503 0.007 . . . . . . A 119 VAL HG22 . 34660 1 933 . 1 . 1 119 119 VAL HG23 H 1 0.503 0.007 . . . . . . A 119 VAL HG23 . 34660 1 934 . 1 . 1 119 119 VAL CA C 13 65.533 0.000 . . . . . . A 119 VAL CA . 34660 1 935 . 1 . 1 119 119 VAL CB C 13 31.300 0.000 . . . . . . A 119 VAL CB . 34660 1 936 . 1 . 1 119 119 VAL CG1 C 13 22.489 0.002 . . . . . . A 119 VAL CG1 . 34660 1 937 . 1 . 1 119 119 VAL CG2 C 13 20.890 0.000 . . . . . . A 119 VAL CG2 . 34660 1 938 . 1 . 1 120 120 ILE HA H 1 3.319 0.009 . . . . . . A 120 ILE HA . 34660 1 939 . 1 . 1 120 120 ILE HB H 1 1.950 0.004 . . . . . . A 120 ILE HB . 34660 1 940 . 1 . 1 120 120 ILE HG21 H 1 0.731 0.078 . . . . . . A 120 ILE HG21 . 34660 1 941 . 1 . 1 120 120 ILE HG22 H 1 0.731 0.078 . . . . . . A 120 ILE HG22 . 34660 1 942 . 1 . 1 120 120 ILE HG23 H 1 0.731 0.078 . . . . . . A 120 ILE HG23 . 34660 1 943 . 1 . 1 120 120 ILE HD11 H 1 -0.223 0.280 . . . . . . A 120 ILE HD11 . 34660 1 944 . 1 . 1 120 120 ILE HD12 H 1 -0.223 0.280 . . . . . . A 120 ILE HD12 . 34660 1 945 . 1 . 1 120 120 ILE HD13 H 1 -0.223 0.280 . . . . . . A 120 ILE HD13 . 34660 1 946 . 1 . 1 120 120 ILE CA C 13 60.987 0.000 . . . . . . A 120 ILE CA . 34660 1 947 . 1 . 1 120 120 ILE CB C 13 39.399 0.065 . . . . . . A 120 ILE CB . 34660 1 948 . 1 . 1 120 120 ILE CG2 C 13 18.487 0.000 . . . . . . A 120 ILE CG2 . 34660 1 949 . 1 . 1 120 120 ILE CD1 C 13 7.862 0.000 . . . . . . A 120 ILE CD1 . 34660 1 950 . 1 . 1 121 121 GLY H H 1 8.083 0.000 . . . . . . A 121 GLY H . 34660 1 951 . 1 . 1 121 121 GLY HA2 H 1 3.835 0.004 . . . . . . A 121 GLY HA2 . 34660 1 952 . 1 . 1 121 121 GLY HA3 H 1 4.125 0.003 . . . . . . A 121 GLY HA3 . 34660 1 953 . 1 . 1 121 121 GLY CA C 13 43.201 0.000 . . . . . . A 121 GLY CA . 34660 1 954 . 1 . 1 122 122 LYS H H 1 8.981 0.002 . . . . . . A 122 LYS H . 34660 1 955 . 1 . 1 122 122 LYS HA H 1 4.118 0.006 . . . . . . A 122 LYS HA . 34660 1 956 . 1 . 1 122 122 LYS HB2 H 1 1.838 0.001 . . . . . . A 122 LYS HB2 . 34660 1 957 . 1 . 1 122 122 LYS HB3 H 1 1.810 0.001 . . . . . . A 122 LYS HB3 . 34660 1 958 . 1 . 1 122 122 LYS HG2 H 1 1.609 0.002 . . . . . . A 122 LYS HG2 . 34660 1 959 . 1 . 1 122 122 LYS HD2 H 1 1.812 0.001 . . . . . . A 122 LYS HD2 . 34660 1 960 . 1 . 1 122 122 LYS HD3 H 1 1.756 0.001 . . . . . . A 122 LYS HD3 . 34660 1 961 . 1 . 1 122 122 LYS CA C 13 58.805 0.000 . . . . . . A 122 LYS CA . 34660 1 962 . 1 . 1 122 122 LYS CB C 13 31.966 0.000 . . . . . . A 122 LYS CB . 34660 1 963 . 1 . 1 122 122 LYS CG C 13 25.049 0.000 . . . . . . A 122 LYS CG . 34660 1 964 . 1 . 1 122 122 LYS CD C 13 29.469 0.000 . . . . . . A 122 LYS CD . 34660 1 965 . 1 . 1 125 125 LYS HA H 1 4.176 0.008 . . . . . . A 125 LYS HA . 34660 1 966 . 1 . 1 126 126 THR HA H 1 4.304 0.003 . . . . . . A 126 THR HA . 34660 1 967 . 1 . 1 126 126 THR HB H 1 4.147 0.004 . . . . . . A 126 THR HB . 34660 1 968 . 1 . 1 126 126 THR HG21 H 1 1.137 0.003 . . . . . . A 126 THR HG21 . 34660 1 969 . 1 . 1 126 126 THR HG22 H 1 1.137 0.003 . . . . . . A 126 THR HG22 . 34660 1 970 . 1 . 1 126 126 THR HG23 H 1 1.137 0.003 . . . . . . A 126 THR HG23 . 34660 1 971 . 1 . 1 126 126 THR CA C 13 62.000 0.000 . . . . . . A 126 THR CA . 34660 1 972 . 1 . 1 126 126 THR CB C 13 69.850 0.011 . . . . . . A 126 THR CB . 34660 1 973 . 1 . 1 126 126 THR CG2 C 13 21.924 0.000 . . . . . . A 126 THR CG2 . 34660 1 974 . 1 . 1 127 127 VAL HA H 1 3.923 0.011 . . . . . . A 127 VAL HA . 34660 1 975 . 1 . 1 127 127 VAL HB H 1 1.788 0.000 . . . . . . A 127 VAL HB . 34660 1 976 . 1 . 1 127 127 VAL HG11 H 1 0.632 0.002 . . . . . . A 127 VAL HG11 . 34660 1 977 . 1 . 1 127 127 VAL HG12 H 1 0.632 0.002 . . . . . . A 127 VAL HG12 . 34660 1 978 . 1 . 1 127 127 VAL HG13 H 1 0.632 0.002 . . . . . . A 127 VAL HG13 . 34660 1 979 . 1 . 1 127 127 VAL HG21 H 1 0.801 0.010 . . . . . . A 127 VAL HG21 . 34660 1 980 . 1 . 1 127 127 VAL HG22 H 1 0.801 0.010 . . . . . . A 127 VAL HG22 . 34660 1 981 . 1 . 1 127 127 VAL HG23 H 1 0.801 0.010 . . . . . . A 127 VAL HG23 . 34660 1 982 . 1 . 1 127 127 VAL CA C 13 64.737 0.000 . . . . . . A 127 VAL CA . 34660 1 983 . 1 . 1 127 127 VAL CG1 C 13 22.603 0.000 . . . . . . A 127 VAL CG1 . 34660 1 984 . 1 . 1 128 128 ASN HA H 1 4.465 0.007 . . . . . . A 128 ASN HA . 34660 1 985 . 1 . 1 128 128 ASN HB2 H 1 2.988 0.001 . . . . . . A 128 ASN HB2 . 34660 1 986 . 1 . 1 128 128 ASN HB3 H 1 2.861 0.002 . . . . . . A 128 ASN HB3 . 34660 1 987 . 1 . 1 128 128 ASN HD21 H 1 7.539 0.002 . . . . . . A 128 ASN HD21 . 34660 1 988 . 1 . 1 128 128 ASN HD22 H 1 6.873 0.000 . . . . . . A 128 ASN HD22 . 34660 1 989 . 1 . 1 128 128 ASN CA C 13 56.236 0.143 . . . . . . A 128 ASN CA . 34660 1 990 . 1 . 1 128 128 ASN CB C 13 38.318 0.138 . . . . . . A 128 ASN CB . 34660 1 991 . 1 . 1 129 129 GLU H H 1 8.243 0.002 . . . . . . A 129 GLU H . 34660 1 992 . 1 . 1 130 130 LEU H H 1 8.353 0.003 . . . . . . A 130 LEU H . 34660 1 993 . 1 . 1 130 130 LEU HA H 1 3.943 0.002 . . . . . . A 130 LEU HA . 34660 1 994 . 1 . 1 130 130 LEU HB2 H 1 1.880 0.002 . . . . . . A 130 LEU HB2 . 34660 1 995 . 1 . 1 130 130 LEU HB3 H 1 1.631 0.007 . . . . . . A 130 LEU HB3 . 34660 1 996 . 1 . 1 130 130 LEU HD11 H 1 0.803 0.011 . . . . . . A 130 LEU HD11 . 34660 1 997 . 1 . 1 130 130 LEU HD12 H 1 0.803 0.011 . . . . . . A 130 LEU HD12 . 34660 1 998 . 1 . 1 130 130 LEU HD13 H 1 0.803 0.011 . . . . . . A 130 LEU HD13 . 34660 1 999 . 1 . 1 130 130 LEU HD21 H 1 0.776 0.007 . . . . . . A 130 LEU HD21 . 34660 1 1000 . 1 . 1 130 130 LEU HD22 H 1 0.776 0.007 . . . . . . A 130 LEU HD22 . 34660 1 1001 . 1 . 1 130 130 LEU HD23 H 1 0.776 0.007 . . . . . . A 130 LEU HD23 . 34660 1 1002 . 1 . 1 130 130 LEU CB C 13 42.622 0.073 . . . . . . A 130 LEU CB . 34660 1 1003 . 1 . 1 130 130 LEU CD1 C 13 25.675 0.000 . . . . . . A 130 LEU CD1 . 34660 1 1004 . 1 . 1 131 131 GLN HA H 1 4.229 0.005 . . . . . . A 131 GLN HA . 34660 1 1005 . 1 . 1 131 131 GLN HB2 H 1 2.131 0.011 . . . . . . A 131 GLN HB2 . 34660 1 1006 . 1 . 1 131 131 GLN HB3 H 1 2.131 0.011 . . . . . . A 131 GLN HB3 . 34660 1 1007 . 1 . 1 131 131 GLN HG2 H 1 2.608 0.006 . . . . . . A 131 GLN HG2 . 34660 1 1008 . 1 . 1 131 131 GLN HG3 H 1 2.416 0.003 . . . . . . A 131 GLN HG3 . 34660 1 1009 . 1 . 1 131 131 GLN HE21 H 1 7.103 0.005 . . . . . . A 131 GLN HE21 . 34660 1 1010 . 1 . 1 131 131 GLN CA C 13 58.181 0.000 . . . . . . A 131 GLN CA . 34660 1 1011 . 1 . 1 131 131 GLN CB C 13 28.606 0.446 . . . . . . A 131 GLN CB . 34660 1 1012 . 1 . 1 131 131 GLN CG C 13 34.717 0.019 . . . . . . A 131 GLN CG . 34660 1 1013 . 1 . 1 133 133 LEU HA H 1 4.270 0.004 . . . . . . A 133 LEU HA . 34660 1 1014 . 1 . 1 133 133 LEU HB2 H 1 1.827 0.003 . . . . . . A 133 LEU HB2 . 34660 1 1015 . 1 . 1 133 133 LEU HB3 H 1 1.631 0.015 . . . . . . A 133 LEU HB3 . 34660 1 1016 . 1 . 1 133 133 LEU HD11 H 1 0.889 0.016 . . . . . . A 133 LEU HD11 . 34660 1 1017 . 1 . 1 133 133 LEU HD12 H 1 0.889 0.016 . . . . . . A 133 LEU HD12 . 34660 1 1018 . 1 . 1 133 133 LEU HD13 H 1 0.889 0.016 . . . . . . A 133 LEU HD13 . 34660 1 1019 . 1 . 1 133 133 LEU HD21 H 1 0.881 0.006 . . . . . . A 133 LEU HD21 . 34660 1 1020 . 1 . 1 133 133 LEU HD22 H 1 0.881 0.006 . . . . . . A 133 LEU HD22 . 34660 1 1021 . 1 . 1 133 133 LEU HD23 H 1 0.881 0.006 . . . . . . A 133 LEU HD23 . 34660 1 1022 . 1 . 1 133 133 LEU CA C 13 56.539 0.000 . . . . . . A 133 LEU CA . 34660 1 1023 . 1 . 1 133 133 LEU CB C 13 43.206 0.041 . . . . . . A 133 LEU CB . 34660 1 1024 . 1 . 1 133 133 LEU CD1 C 13 24.926 0.014 . . . . . . A 133 LEU CD1 . 34660 1 1025 . 1 . 1 133 133 LEU CD2 C 13 23.736 0.012 . . . . . . A 133 LEU CD2 . 34660 1 1026 . 1 . 1 134 134 THR HA H 1 4.389 0.006 . . . . . . A 134 THR HA . 34660 1 1027 . 1 . 1 134 134 THR HB H 1 4.223 0.010 . . . . . . A 134 THR HB . 34660 1 1028 . 1 . 1 134 134 THR HG21 H 1 1.255 0.006 . . . . . . A 134 THR HG21 . 34660 1 1029 . 1 . 1 134 134 THR HG22 H 1 1.255 0.006 . . . . . . A 134 THR HG22 . 34660 1 1030 . 1 . 1 134 134 THR HG23 H 1 1.255 0.006 . . . . . . A 134 THR HG23 . 34660 1 1031 . 1 . 1 134 134 THR CA C 13 61.926 0.000 . . . . . . A 134 THR CA . 34660 1 1032 . 1 . 1 134 134 THR CB C 13 69.991 0.000 . . . . . . A 134 THR CB . 34660 1 1033 . 1 . 1 135 135 ALA H H 1 8.190 0.000 . . . . . . A 135 ALA H . 34660 1 1034 . 1 . 1 135 135 ALA HA H 1 4.109 0.004 . . . . . . A 135 ALA HA . 34660 1 1035 . 1 . 1 135 135 ALA HB1 H 1 1.674 0.005 . . . . . . A 135 ALA HB1 . 34660 1 1036 . 1 . 1 135 135 ALA HB2 H 1 1.674 0.005 . . . . . . A 135 ALA HB2 . 34660 1 1037 . 1 . 1 135 135 ALA HB3 H 1 1.674 0.005 . . . . . . A 135 ALA HB3 . 34660 1 1038 . 1 . 1 135 135 ALA CA C 13 54.326 0.028 . . . . . . A 135 ALA CA . 34660 1 1039 . 1 . 1 135 135 ALA CB C 13 17.703 0.000 . . . . . . A 135 ALA CB . 34660 1 1040 . 1 . 1 136 136 ALA H H 1 8.093 0.002 . . . . . . A 136 ALA H . 34660 1 1041 . 1 . 1 136 136 ALA HA H 1 4.575 0.003 . . . . . . A 136 ALA HA . 34660 1 1042 . 1 . 1 136 136 ALA HB1 H 1 0.982 0.001 . . . . . . A 136 ALA HB1 . 34660 1 1043 . 1 . 1 136 136 ALA HB2 H 1 0.982 0.001 . . . . . . A 136 ALA HB2 . 34660 1 1044 . 1 . 1 136 136 ALA HB3 H 1 0.982 0.001 . . . . . . A 136 ALA HB3 . 34660 1 1045 . 1 . 1 136 136 ALA CA C 13 50.691 0.000 . . . . . . A 136 ALA CA . 34660 1 1046 . 1 . 1 136 136 ALA CB C 13 19.812 0.010 . . . . . . A 136 ALA CB . 34660 1 1047 . 1 . 1 137 137 GLU H H 1 8.552 0.006 . . . . . . A 137 GLU H . 34660 1 1048 . 1 . 1 137 137 GLU HA H 1 4.379 0.007 . . . . . . A 137 GLU HA . 34660 1 1049 . 1 . 1 137 137 GLU HB2 H 1 2.247 0.001 . . . . . . A 137 GLU HB2 . 34660 1 1050 . 1 . 1 137 137 GLU HB3 H 1 2.128 0.003 . . . . . . A 137 GLU HB3 . 34660 1 1051 . 1 . 1 137 137 GLU CA C 13 55.967 0.000 . . . . . . A 137 GLU CA . 34660 1 1052 . 1 . 1 137 137 GLU CB C 13 36.254 0.055 . . . . . . A 137 GLU CB . 34660 1 1053 . 1 . 1 138 138 VAL HA H 1 4.980 0.009 . . . . . . A 138 VAL HA . 34660 1 1054 . 1 . 1 138 138 VAL HB H 1 1.635 0.005 . . . . . . A 138 VAL HB . 34660 1 1055 . 1 . 1 138 138 VAL HG11 H 1 0.651 0.005 . . . . . . A 138 VAL HG11 . 34660 1 1056 . 1 . 1 138 138 VAL HG12 H 1 0.651 0.005 . . . . . . A 138 VAL HG12 . 34660 1 1057 . 1 . 1 138 138 VAL HG13 H 1 0.651 0.005 . . . . . . A 138 VAL HG13 . 34660 1 1058 . 1 . 1 138 138 VAL HG21 H 1 0.471 0.004 . . . . . . A 138 VAL HG21 . 34660 1 1059 . 1 . 1 138 138 VAL HG22 H 1 0.471 0.004 . . . . . . A 138 VAL HG22 . 34660 1 1060 . 1 . 1 138 138 VAL HG23 H 1 0.471 0.004 . . . . . . A 138 VAL HG23 . 34660 1 1061 . 1 . 1 138 138 VAL CA C 13 61.184 0.024 . . . . . . A 138 VAL CA . 34660 1 1062 . 1 . 1 138 138 VAL CB C 13 33.762 0.067 . . . . . . A 138 VAL CB . 34660 1 1063 . 1 . 1 138 138 VAL CG1 C 13 21.025 0.005 . . . . . . A 138 VAL CG1 . 34660 1 1064 . 1 . 1 138 138 VAL CG2 C 13 21.397 0.026 . . . . . . A 138 VAL CG2 . 34660 1 1065 . 1 . 1 139 139 VAL H H 1 9.198 0.001 . . . . . . A 139 VAL H . 34660 1 1066 . 1 . 1 139 139 VAL HB H 1 1.887 0.004 . . . . . . A 139 VAL HB . 34660 1 1067 . 1 . 1 139 139 VAL HG11 H 1 1.118 0.002 . . . . . . A 139 VAL HG11 . 34660 1 1068 . 1 . 1 139 139 VAL HG12 H 1 1.118 0.002 . . . . . . A 139 VAL HG12 . 34660 1 1069 . 1 . 1 139 139 VAL HG13 H 1 1.118 0.002 . . . . . . A 139 VAL HG13 . 34660 1 1070 . 1 . 1 139 139 VAL HG21 H 1 1.031 0.002 . . . . . . A 139 VAL HG21 . 34660 1 1071 . 1 . 1 139 139 VAL HG22 H 1 1.031 0.002 . . . . . . A 139 VAL HG22 . 34660 1 1072 . 1 . 1 139 139 VAL HG23 H 1 1.031 0.002 . . . . . . A 139 VAL HG23 . 34660 1 1073 . 1 . 1 139 139 VAL CB C 13 36.912 0.000 . . . . . . A 139 VAL CB . 34660 1 1074 . 1 . 1 139 139 VAL CG1 C 13 20.987 0.000 . . . . . . A 139 VAL CG1 . 34660 1 1075 . 1 . 1 139 139 VAL CG2 C 13 20.987 0.000 . . . . . . A 139 VAL CG2 . 34660 1 1076 . 1 . 1 140 140 VAL HA H 1 4.772 0.000 . . . . . . A 140 VAL HA . 34660 1 1077 . 1 . 1 140 140 VAL HB H 1 2.313 0.001 . . . . . . A 140 VAL HB . 34660 1 1078 . 1 . 1 140 140 VAL HG21 H 1 0.734 0.024 . . . . . . A 140 VAL HG21 . 34660 1 1079 . 1 . 1 140 140 VAL HG22 H 1 0.734 0.024 . . . . . . A 140 VAL HG22 . 34660 1 1080 . 1 . 1 140 140 VAL HG23 H 1 0.734 0.024 . . . . . . A 140 VAL HG23 . 34660 1 1081 . 1 . 1 140 140 VAL CB C 13 30.093 0.000 . . . . . . A 140 VAL CB . 34660 1 1082 . 1 . 1 140 140 VAL CG2 C 13 20.406 0.169 . . . . . . A 140 VAL CG2 . 34660 1 1083 . 1 . 1 141 141 PRO HA H 1 4.227 0.006 . . . . . . A 141 PRO HA . 34660 1 1084 . 1 . 1 141 141 PRO HB2 H 1 2.308 0.011 . . . . . . A 141 PRO HB2 . 34660 1 1085 . 1 . 1 141 141 PRO HB3 H 1 1.936 0.003 . . . . . . A 141 PRO HB3 . 34660 1 1086 . 1 . 1 141 141 PRO HG2 H 1 2.072 0.008 . . . . . . A 141 PRO HG2 . 34660 1 1087 . 1 . 1 141 141 PRO HG3 H 1 2.072 0.008 . . . . . . A 141 PRO HG3 . 34660 1 1088 . 1 . 1 141 141 PRO HD2 H 1 3.805 0.003 . . . . . . A 141 PRO HD2 . 34660 1 1089 . 1 . 1 141 141 PRO HD3 H 1 3.805 0.003 . . . . . . A 141 PRO HD3 . 34660 1 1090 . 1 . 1 141 141 PRO CA C 13 62.880 0.000 . . . . . . A 141 PRO CA . 34660 1 1091 . 1 . 1 141 141 PRO CB C 13 31.936 0.000 . . . . . . A 141 PRO CB . 34660 1 1092 . 1 . 1 141 141 PRO CG C 13 27.482 0.068 . . . . . . A 141 PRO CG . 34660 1 1093 . 1 . 1 141 141 PRO CD C 13 50.085 0.035 . . . . . . A 141 PRO CD . 34660 1 1094 . 1 . 1 142 142 ARG H H 1 8.541 0.003 . . . . . . A 142 ARG H . 34660 1 1095 . 1 . 1 142 142 ARG HA H 1 4.358 0.010 . . . . . . A 142 ARG HA . 34660 1 1096 . 1 . 1 142 142 ARG HB2 H 1 1.804 0.016 . . . . . . A 142 ARG HB2 . 34660 1 1097 . 1 . 1 142 142 ARG HB3 H 1 1.804 0.016 . . . . . . A 142 ARG HB3 . 34660 1 1098 . 1 . 1 142 142 ARG HG2 H 1 1.452 0.002 . . . . . . A 142 ARG HG2 . 34660 1 1099 . 1 . 1 142 142 ARG HG3 H 1 1.452 0.002 . . . . . . A 142 ARG HG3 . 34660 1 1100 . 1 . 1 142 142 ARG HD2 H 1 3.040 0.005 . . . . . . A 142 ARG HD2 . 34660 1 1101 . 1 . 1 142 142 ARG HD3 H 1 3.040 0.005 . . . . . . A 142 ARG HD3 . 34660 1 1102 . 1 . 1 142 142 ARG CA C 13 56.932 0.000 . . . . . . A 142 ARG CA . 34660 1 1103 . 1 . 1 142 142 ARG CB C 13 31.178 0.686 . . . . . . A 142 ARG CB . 34660 1 1104 . 1 . 1 142 142 ARG CG C 13 28.845 0.000 . . . . . . A 142 ARG CG . 34660 1 1105 . 1 . 1 142 142 ARG CD C 13 43.487 0.000 . . . . . . A 142 ARG CD . 34660 1 1106 . 1 . 1 143 143 ASP H H 1 8.960 0.001 . . . . . . A 143 ASP H . 34660 1 1107 . 1 . 1 143 143 ASP HA H 1 4.340 0.003 . . . . . . A 143 ASP HA . 34660 1 1108 . 1 . 1 143 143 ASP HB2 H 1 2.812 0.001 . . . . . . A 143 ASP HB2 . 34660 1 1109 . 1 . 1 143 143 ASP HB3 H 1 2.649 0.003 . . . . . . A 143 ASP HB3 . 34660 1 1110 . 1 . 1 143 143 ASP CA C 13 54.737 0.000 . . . . . . A 143 ASP CA . 34660 1 1111 . 1 . 1 143 143 ASP CB C 13 39.072 0.065 . . . . . . A 143 ASP CB . 34660 1 1112 . 1 . 1 144 144 GLN H H 1 7.923 0.000 . . . . . . A 144 GLN H . 34660 1 1113 . 1 . 1 144 144 GLN HA H 1 4.382 0.028 . . . . . . A 144 GLN HA . 34660 1 1114 . 1 . 1 144 144 GLN HG2 H 1 2.115 0.039 . . . . . . A 144 GLN HG2 . 34660 1 1115 . 1 . 1 144 144 GLN HG3 H 1 2.115 0.039 . . . . . . A 144 GLN HG3 . 34660 1 1116 . 1 . 1 144 144 GLN CA C 13 55.911 0.000 . . . . . . A 144 GLN CA . 34660 1 1117 . 1 . 1 144 144 GLN CG C 13 33.944 0.144 . . . . . . A 144 GLN CG . 34660 1 1118 . 1 . 1 145 145 THR H H 1 8.892 0.001 . . . . . . A 145 THR H . 34660 1 1119 . 1 . 1 145 145 THR HA H 1 4.604 0.025 . . . . . . A 145 THR HA . 34660 1 1120 . 1 . 1 145 145 THR HB H 1 4.052 0.003 . . . . . . A 145 THR HB . 34660 1 1121 . 1 . 1 145 145 THR HG21 H 1 1.286 0.005 . . . . . . A 145 THR HG21 . 34660 1 1122 . 1 . 1 145 145 THR HG22 H 1 1.286 0.005 . . . . . . A 145 THR HG22 . 34660 1 1123 . 1 . 1 145 145 THR HG23 H 1 1.286 0.005 . . . . . . A 145 THR HG23 . 34660 1 1124 . 1 . 1 145 145 THR CB C 13 70.013 0.003 . . . . . . A 145 THR CB . 34660 1 1125 . 1 . 1 145 145 THR CG2 C 13 21.298 0.051 . . . . . . A 145 THR CG2 . 34660 1 1126 . 1 . 1 146 146 PRO HA H 1 4.342 0.014 . . . . . . A 146 PRO HA . 34660 1 1127 . 1 . 1 146 146 PRO HB2 H 1 2.035 0.067 . . . . . . A 146 PRO HB2 . 34660 1 1128 . 1 . 1 146 146 PRO HB3 H 1 2.035 0.067 . . . . . . A 146 PRO HB3 . 34660 1 1129 . 1 . 1 146 146 PRO HG2 H 1 1.634 0.011 . . . . . . A 146 PRO HG2 . 34660 1 1130 . 1 . 1 146 146 PRO HG3 H 1 1.634 0.011 . . . . . . A 146 PRO HG3 . 34660 1 1131 . 1 . 1 146 146 PRO HD2 H 1 4.193 0.003 . . . . . . A 146 PRO HD2 . 34660 1 1132 . 1 . 1 146 146 PRO HD3 H 1 3.634 0.004 . . . . . . A 146 PRO HD3 . 34660 1 1133 . 1 . 1 146 146 PRO CA C 13 62.876 0.000 . . . . . . A 146 PRO CA . 34660 1 1134 . 1 . 1 146 146 PRO CG C 13 27.471 0.028 . . . . . . A 146 PRO CG . 34660 1 1135 . 1 . 1 146 146 PRO CD C 13 51.610 0.000 . . . . . . A 146 PRO CD . 34660 1 1136 . 1 . 1 147 147 ASP H H 1 8.547 0.015 . . . . . . A 147 ASP H . 34660 1 1137 . 1 . 1 147 147 ASP HA H 1 4.585 0.005 . . . . . . A 147 ASP HA . 34660 1 1138 . 1 . 1 147 147 ASP HB2 H 1 3.330 0.004 . . . . . . A 147 ASP HB2 . 34660 1 1139 . 1 . 1 147 147 ASP HB3 H 1 2.796 0.003 . . . . . . A 147 ASP HB3 . 34660 1 1140 . 1 . 1 147 147 ASP CA C 13 53.187 0.000 . . . . . . A 147 ASP CA . 34660 1 1141 . 1 . 1 147 147 ASP CB C 13 40.776 0.095 . . . . . . A 147 ASP CB . 34660 1 1142 . 1 . 1 148 148 GLU H H 1 9.265 0.004 . . . . . . A 148 GLU H . 34660 1 1143 . 1 . 1 148 148 GLU HA H 1 4.201 0.006 . . . . . . A 148 GLU HA . 34660 1 1144 . 1 . 1 148 148 GLU HB2 H 1 2.066 0.003 . . . . . . A 148 GLU HB2 . 34660 1 1145 . 1 . 1 148 148 GLU HB3 H 1 2.066 0.003 . . . . . . A 148 GLU HB3 . 34660 1 1146 . 1 . 1 148 148 GLU HG2 H 1 2.299 0.001 . . . . . . A 148 GLU HG2 . 34660 1 1147 . 1 . 1 148 148 GLU HG3 H 1 2.243 0.004 . . . . . . A 148 GLU HG3 . 34660 1 1148 . 1 . 1 148 148 GLU CA C 13 58.787 0.011 . . . . . . A 148 GLU CA . 34660 1 1149 . 1 . 1 148 148 GLU CB C 13 28.762 0.130 . . . . . . A 148 GLU CB . 34660 1 1150 . 1 . 1 148 148 GLU CG C 13 35.780 0.000 . . . . . . A 148 GLU CG . 34660 1 1151 . 1 . 1 149 149 ASN H H 1 8.388 0.011 . . . . . . A 149 ASN H . 34660 1 1152 . 1 . 1 149 149 ASN HA H 1 4.996 0.003 . . . . . . A 149 ASN HA . 34660 1 1153 . 1 . 1 149 149 ASN HB2 H 1 2.961 0.005 . . . . . . A 149 ASN HB2 . 34660 1 1154 . 1 . 1 149 149 ASN HB3 H 1 2.635 0.007 . . . . . . A 149 ASN HB3 . 34660 1 1155 . 1 . 1 149 149 ASN HD21 H 1 7.878 0.004 . . . . . . A 149 ASN HD21 . 34660 1 1156 . 1 . 1 149 149 ASN HD22 H 1 6.863 0.000 . . . . . . A 149 ASN HD22 . 34660 1 1157 . 1 . 1 149 149 ASN CA C 13 52.762 0.141 . . . . . . A 149 ASN CA . 34660 1 1158 . 1 . 1 149 149 ASN CB C 13 39.331 0.065 . . . . . . A 149 ASN CB . 34660 1 1159 . 1 . 1 150 150 GLU H H 1 8.610 0.002 . . . . . . A 150 GLU H . 34660 1 1160 . 1 . 1 150 150 GLU HA H 1 3.787 0.004 . . . . . . A 150 GLU HA . 34660 1 1161 . 1 . 1 150 150 GLU HB2 H 1 2.446 0.005 . . . . . . A 150 GLU HB2 . 34660 1 1162 . 1 . 1 150 150 GLU HB3 H 1 2.232 0.007 . . . . . . A 150 GLU HB3 . 34660 1 1163 . 1 . 1 150 150 GLU HG2 H 1 2.267 0.004 . . . . . . A 150 GLU HG2 . 34660 1 1164 . 1 . 1 150 150 GLU HG3 H 1 2.267 0.004 . . . . . . A 150 GLU HG3 . 34660 1 1165 . 1 . 1 150 150 GLU CA C 13 57.530 0.024 . . . . . . A 150 GLU CA . 34660 1 1166 . 1 . 1 150 150 GLU CB C 13 27.866 0.022 . . . . . . A 150 GLU CB . 34660 1 1167 . 1 . 1 150 150 GLU CG C 13 37.186 0.024 . . . . . . A 150 GLU CG . 34660 1 1168 . 1 . 1 151 151 GLN H H 1 8.471 0.001 . . . . . . A 151 GLN H . 34660 1 1169 . 1 . 1 151 151 GLN HA H 1 5.099 0.005 . . . . . . A 151 GLN HA . 34660 1 1170 . 1 . 1 151 151 GLN HB2 H 1 2.316 0.000 . . . . . . A 151 GLN HB2 . 34660 1 1171 . 1 . 1 151 151 GLN HB3 H 1 1.818 0.004 . . . . . . A 151 GLN HB3 . 34660 1 1172 . 1 . 1 151 151 GLN HG2 H 1 2.344 0.015 . . . . . . A 151 GLN HG2 . 34660 1 1173 . 1 . 1 151 151 GLN HG3 H 1 1.752 0.007 . . . . . . A 151 GLN HG3 . 34660 1 1174 . 1 . 1 151 151 GLN HE21 H 1 7.427 0.000 . . . . . . A 151 GLN HE21 . 34660 1 1175 . 1 . 1 151 151 GLN CA C 13 54.965 0.064 . . . . . . A 151 GLN CA . 34660 1 1176 . 1 . 1 151 151 GLN CB C 13 31.922 0.005 . . . . . . A 151 GLN CB . 34660 1 1177 . 1 . 1 151 151 GLN CG C 13 34.701 0.064 . . . . . . A 151 GLN CG . 34660 1 1178 . 1 . 1 152 152 VAL H H 1 9.154 0.004 . . . . . . A 152 VAL H . 34660 1 1179 . 1 . 1 152 152 VAL HA H 1 4.640 0.000 . . . . . . A 152 VAL HA . 34660 1 1180 . 1 . 1 152 152 VAL HB H 1 2.072 0.008 . . . . . . A 152 VAL HB . 34660 1 1181 . 1 . 1 152 152 VAL HG11 H 1 0.677 0.012 . . . . . . A 152 VAL HG11 . 34660 1 1182 . 1 . 1 152 152 VAL HG12 H 1 0.677 0.012 . . . . . . A 152 VAL HG12 . 34660 1 1183 . 1 . 1 152 152 VAL HG13 H 1 0.677 0.012 . . . . . . A 152 VAL HG13 . 34660 1 1184 . 1 . 1 152 152 VAL HG21 H 1 0.612 0.030 . . . . . . A 152 VAL HG21 . 34660 1 1185 . 1 . 1 152 152 VAL HG22 H 1 0.612 0.030 . . . . . . A 152 VAL HG22 . 34660 1 1186 . 1 . 1 152 152 VAL HG23 H 1 0.612 0.030 . . . . . . A 152 VAL HG23 . 34660 1 1187 . 1 . 1 152 152 VAL CB C 13 33.812 0.066 . . . . . . A 152 VAL CB . 34660 1 1188 . 1 . 1 152 152 VAL CG1 C 13 21.729 0.060 . . . . . . A 152 VAL CG1 . 34660 1 1189 . 1 . 1 152 152 VAL CG2 C 13 16.900 0.000 . . . . . . A 152 VAL CG2 . 34660 1 1190 . 1 . 1 153 153 ILE H H 1 9.143 0.004 . . . . . . A 153 ILE H . 34660 1 1191 . 1 . 1 153 153 ILE HA H 1 4.742 0.042 . . . . . . A 153 ILE HA . 34660 1 1192 . 1 . 1 153 153 ILE HB H 1 1.664 0.005 . . . . . . A 153 ILE HB . 34660 1 1193 . 1 . 1 153 153 ILE HG12 H 1 1.457 0.008 . . . . . . A 153 ILE HG12 . 34660 1 1194 . 1 . 1 153 153 ILE HG13 H 1 1.026 0.003 . . . . . . A 153 ILE HG13 . 34660 1 1195 . 1 . 1 153 153 ILE HG21 H 1 0.532 0.004 . . . . . . A 153 ILE HG21 . 34660 1 1196 . 1 . 1 153 153 ILE HG22 H 1 0.532 0.004 . . . . . . A 153 ILE HG22 . 34660 1 1197 . 1 . 1 153 153 ILE HG23 H 1 0.532 0.004 . . . . . . A 153 ILE HG23 . 34660 1 1198 . 1 . 1 153 153 ILE HD11 H 1 0.673 0.006 . . . . . . A 153 ILE HD11 . 34660 1 1199 . 1 . 1 153 153 ILE HD12 H 1 0.673 0.006 . . . . . . A 153 ILE HD12 . 34660 1 1200 . 1 . 1 153 153 ILE HD13 H 1 0.673 0.006 . . . . . . A 153 ILE HD13 . 34660 1 1201 . 1 . 1 153 153 ILE CA C 13 61.302 0.000 . . . . . . A 153 ILE CA . 34660 1 1202 . 1 . 1 153 153 ILE CB C 13 40.638 0.000 . . . . . . A 153 ILE CB . 34660 1 1203 . 1 . 1 153 153 ILE CG1 C 13 27.786 0.045 . . . . . . A 153 ILE CG1 . 34660 1 1204 . 1 . 1 153 153 ILE CG2 C 13 17.768 0.072 . . . . . . A 153 ILE CG2 . 34660 1 1205 . 1 . 1 153 153 ILE CD1 C 13 13.485 0.080 . . . . . . A 153 ILE CD1 . 34660 1 1206 . 1 . 1 154 154 VAL H H 1 8.609 0.001 . . . . . . A 154 VAL H . 34660 1 1207 . 1 . 1 154 154 VAL HA H 1 4.163 0.005 . . . . . . A 154 VAL HA . 34660 1 1208 . 1 . 1 154 154 VAL HB H 1 1.841 0.003 . . . . . . A 154 VAL HB . 34660 1 1209 . 1 . 1 154 154 VAL HG11 H 1 0.816 0.004 . . . . . . A 154 VAL HG11 . 34660 1 1210 . 1 . 1 154 154 VAL HG12 H 1 0.816 0.004 . . . . . . A 154 VAL HG12 . 34660 1 1211 . 1 . 1 154 154 VAL HG13 H 1 0.816 0.004 . . . . . . A 154 VAL HG13 . 34660 1 1212 . 1 . 1 154 154 VAL HG21 H 1 0.663 0.008 . . . . . . A 154 VAL HG21 . 34660 1 1213 . 1 . 1 154 154 VAL HG22 H 1 0.663 0.008 . . . . . . A 154 VAL HG22 . 34660 1 1214 . 1 . 1 154 154 VAL HG23 H 1 0.663 0.008 . . . . . . A 154 VAL HG23 . 34660 1 1215 . 1 . 1 154 154 VAL CA C 13 61.578 0.055 . . . . . . A 154 VAL CA . 34660 1 1216 . 1 . 1 154 154 VAL CB C 13 33.837 0.048 . . . . . . A 154 VAL CB . 34660 1 1217 . 1 . 1 154 154 VAL CG1 C 13 22.188 0.109 . . . . . . A 154 VAL CG1 . 34660 1 1218 . 1 . 1 154 154 VAL CG2 C 13 21.382 0.060 . . . . . . A 154 VAL CG2 . 34660 1 1219 . 1 . 1 155 155 LYS H H 1 9.155 0.000 . . . . . . A 155 LYS H . 34660 1 1220 . 1 . 1 155 155 LYS HA H 1 5.158 0.004 . . . . . . A 155 LYS HA . 34660 1 1221 . 1 . 1 155 155 LYS HB2 H 1 1.649 0.006 . . . . . . A 155 LYS HB2 . 34660 1 1222 . 1 . 1 155 155 LYS HB3 H 1 1.500 0.000 . . . . . . A 155 LYS HB3 . 34660 1 1223 . 1 . 1 155 155 LYS HG2 H 1 1.088 0.017 . . . . . . A 155 LYS HG2 . 34660 1 1224 . 1 . 1 155 155 LYS HG3 H 1 0.668 0.000 . . . . . . A 155 LYS HG3 . 34660 1 1225 . 1 . 1 155 155 LYS HD2 H 1 1.495 0.007 . . . . . . A 155 LYS HD2 . 34660 1 1226 . 1 . 1 155 155 LYS HD3 H 1 1.461 0.000 . . . . . . A 155 LYS HD3 . 34660 1 1227 . 1 . 1 155 155 LYS HE2 H 1 2.526 0.003 . . . . . . A 155 LYS HE2 . 34660 1 1228 . 1 . 1 155 155 LYS CA C 13 55.061 0.000 . . . . . . A 155 LYS CA . 34660 1 1229 . 1 . 1 155 155 LYS CB C 13 34.698 0.000 . . . . . . A 155 LYS CB . 34660 1 1230 . 1 . 1 155 155 LYS CG C 13 25.037 0.041 . . . . . . A 155 LYS CG . 34660 1 1231 . 1 . 1 155 155 LYS CD C 13 29.624 0.000 . . . . . . A 155 LYS CD . 34660 1 1232 . 1 . 1 155 155 LYS CE C 13 41.777 0.017 . . . . . . A 155 LYS CE . 34660 1 1233 . 1 . 1 156 156 ILE H H 1 9.572 0.000 . . . . . . A 156 ILE H . 34660 1 1234 . 1 . 1 156 156 ILE HA H 1 5.012 0.010 . . . . . . A 156 ILE HA . 34660 1 1235 . 1 . 1 156 156 ILE HB H 1 1.677 0.005 . . . . . . A 156 ILE HB . 34660 1 1236 . 1 . 1 156 156 ILE HG12 H 1 1.542 0.002 . . . . . . A 156 ILE HG12 . 34660 1 1237 . 1 . 1 156 156 ILE HG13 H 1 1.542 0.002 . . . . . . A 156 ILE HG13 . 34660 1 1238 . 1 . 1 156 156 ILE HG21 H 1 0.823 0.005 . . . . . . A 156 ILE HG21 . 34660 1 1239 . 1 . 1 156 156 ILE HG22 H 1 0.823 0.005 . . . . . . A 156 ILE HG22 . 34660 1 1240 . 1 . 1 156 156 ILE HG23 H 1 0.823 0.005 . . . . . . A 156 ILE HG23 . 34660 1 1241 . 1 . 1 156 156 ILE HD11 H 1 0.711 0.008 . . . . . . A 156 ILE HD11 . 34660 1 1242 . 1 . 1 156 156 ILE HD12 H 1 0.711 0.008 . . . . . . A 156 ILE HD12 . 34660 1 1243 . 1 . 1 156 156 ILE HD13 H 1 0.711 0.008 . . . . . . A 156 ILE HD13 . 34660 1 1244 . 1 . 1 156 156 ILE CA C 13 60.332 0.057 . . . . . . A 156 ILE CA . 34660 1 1245 . 1 . 1 156 156 ILE CB C 13 41.732 0.000 . . . . . . A 156 ILE CB . 34660 1 1246 . 1 . 1 156 156 ILE CG1 C 13 27.867 0.006 . . . . . . A 156 ILE CG1 . 34660 1 1247 . 1 . 1 156 156 ILE CG2 C 13 18.762 0.006 . . . . . . A 156 ILE CG2 . 34660 1 1248 . 1 . 1 156 156 ILE CD1 C 13 15.537 0.077 . . . . . . A 156 ILE CD1 . 34660 1 1249 . 1 . 1 157 157 ILE H H 1 9.550 0.005 . . . . . . A 157 ILE H . 34660 1 1250 . 1 . 1 157 157 ILE HA H 1 5.187 0.009 . . . . . . A 157 ILE HA . 34660 1 1251 . 1 . 1 157 157 ILE HB H 1 1.859 0.005 . . . . . . A 157 ILE HB . 34660 1 1252 . 1 . 1 157 157 ILE HG12 H 1 1.476 0.004 . . . . . . A 157 ILE HG12 . 34660 1 1253 . 1 . 1 157 157 ILE HG13 H 1 1.109 0.005 . . . . . . A 157 ILE HG13 . 34660 1 1254 . 1 . 1 157 157 ILE HG21 H 1 0.822 0.007 . . . . . . A 157 ILE HG21 . 34660 1 1255 . 1 . 1 157 157 ILE HG22 H 1 0.822 0.007 . . . . . . A 157 ILE HG22 . 34660 1 1256 . 1 . 1 157 157 ILE HG23 H 1 0.822 0.007 . . . . . . A 157 ILE HG23 . 34660 1 1257 . 1 . 1 157 157 ILE HD11 H 1 0.849 0.003 . . . . . . A 157 ILE HD11 . 34660 1 1258 . 1 . 1 157 157 ILE HD12 H 1 0.849 0.003 . . . . . . A 157 ILE HD12 . 34660 1 1259 . 1 . 1 157 157 ILE HD13 H 1 0.849 0.003 . . . . . . A 157 ILE HD13 . 34660 1 1260 . 1 . 1 157 157 ILE CA C 13 60.560 0.085 . . . . . . A 157 ILE CA . 34660 1 1261 . 1 . 1 157 157 ILE CB C 13 40.555 0.000 . . . . . . A 157 ILE CB . 34660 1 1262 . 1 . 1 157 157 ILE CG1 C 13 28.731 0.082 . . . . . . A 157 ILE CG1 . 34660 1 1263 . 1 . 1 157 157 ILE CG2 C 13 18.833 0.012 . . . . . . A 157 ILE CG2 . 34660 1 1264 . 1 . 1 157 157 ILE CD1 C 13 14.770 0.001 . . . . . . A 157 ILE CD1 . 34660 1 1265 . 1 . 1 158 158 GLY H H 1 8.251 0.003 . . . . . . A 158 GLY H . 34660 1 1266 . 1 . 1 158 158 GLY HA2 H 1 4.427 0.019 . . . . . . A 158 GLY HA2 . 34660 1 1267 . 1 . 1 158 158 GLY HA3 H 1 3.942 0.019 . . . . . . A 158 GLY HA3 . 34660 1 1268 . 1 . 1 158 158 GLY CA C 13 45.811 0.010 . . . . . . A 158 GLY CA . 34660 1 1269 . 1 . 1 159 159 HIS H H 1 7.973 0.002 . . . . . . A 159 HIS H . 34660 1 1270 . 1 . 1 159 159 HIS HA H 1 5.645 0.004 . . . . . . A 159 HIS HA . 34660 1 1271 . 1 . 1 159 159 HIS HB2 H 1 3.571 0.003 . . . . . . A 159 HIS HB2 . 34660 1 1272 . 1 . 1 159 159 HIS HB3 H 1 3.233 0.007 . . . . . . A 159 HIS HB3 . 34660 1 1273 . 1 . 1 159 159 HIS HD2 H 1 7.108 0.000 . . . . . . A 159 HIS HD2 . 34660 1 1274 . 1 . 1 159 159 HIS CA C 13 55.591 0.003 . . . . . . A 159 HIS CA . 34660 1 1275 . 1 . 1 159 159 HIS CB C 13 31.403 0.008 . . . . . . A 159 HIS CB . 34660 1 1276 . 1 . 1 160 160 PHE HA H 1 3.169 0.001 . . . . . . A 160 PHE HA . 34660 1 1277 . 1 . 1 160 160 PHE HB2 H 1 2.340 0.009 . . . . . . A 160 PHE HB2 . 34660 1 1278 . 1 . 1 160 160 PHE HB3 H 1 2.193 0.014 . . . . . . A 160 PHE HB3 . 34660 1 1279 . 1 . 1 160 160 PHE CA C 13 62.020 0.000 . . . . . . A 160 PHE CA . 34660 1 1280 . 1 . 1 160 160 PHE CB C 13 38.358 0.003 . . . . . . A 160 PHE CB . 34660 1 1281 . 1 . 1 161 161 TYR H H 1 8.565 0.000 . . . . . . A 161 TYR H . 34660 1 1282 . 1 . 1 161 161 TYR HA H 1 3.479 0.000 . . . . . . A 161 TYR HA . 34660 1 1283 . 1 . 1 161 161 TYR HB2 H 1 2.911 0.005 . . . . . . A 161 TYR HB2 . 34660 1 1284 . 1 . 1 161 161 TYR HB3 H 1 2.735 0.002 . . . . . . A 161 TYR HB3 . 34660 1 1285 . 1 . 1 161 161 TYR HD1 H 1 6.865 0.000 . . . . . . A 161 TYR HD1 . 34660 1 1286 . 1 . 1 161 161 TYR HD2 H 1 6.865 0.000 . . . . . . A 161 TYR HD2 . 34660 1 1287 . 1 . 1 161 161 TYR CA C 13 62.413 0.000 . . . . . . A 161 TYR CA . 34660 1 1288 . 1 . 1 161 161 TYR CB C 13 37.737 0.008 . . . . . . A 161 TYR CB . 34660 1 1289 . 1 . 1 162 162 ALA H H 1 7.569 0.000 . . . . . . A 162 ALA H . 34660 1 1290 . 1 . 1 162 162 ALA HA H 1 4.130 0.004 . . . . . . A 162 ALA HA . 34660 1 1291 . 1 . 1 162 162 ALA HB1 H 1 0.957 0.017 . . . . . . A 162 ALA HB1 . 34660 1 1292 . 1 . 1 162 162 ALA HB2 H 1 0.957 0.017 . . . . . . A 162 ALA HB2 . 34660 1 1293 . 1 . 1 162 162 ALA HB3 H 1 0.957 0.017 . . . . . . A 162 ALA HB3 . 34660 1 1294 . 1 . 1 162 162 ALA CA C 13 54.893 0.023 . . . . . . A 162 ALA CA . 34660 1 1295 . 1 . 1 162 162 ALA CB C 13 18.833 0.000 . . . . . . A 162 ALA CB . 34660 1 1296 . 1 . 1 163 163 SER H H 1 8.331 0.001 . . . . . . A 163 SER H . 34660 1 1297 . 1 . 1 163 163 SER HA H 1 3.856 0.002 . . . . . . A 163 SER HA . 34660 1 1298 . 1 . 1 163 163 SER HB2 H 1 3.756 0.001 . . . . . . A 163 SER HB2 . 34660 1 1299 . 1 . 1 163 163 SER HB3 H 1 3.756 0.001 . . . . . . A 163 SER HB3 . 34660 1 1300 . 1 . 1 163 163 SER CA C 13 60.565 0.114 . . . . . . A 163 SER CA . 34660 1 1301 . 1 . 1 163 163 SER CB C 13 64.095 0.000 . . . . . . A 163 SER CB . 34660 1 1302 . 1 . 1 164 164 GLN HA H 1 3.648 0.004 . . . . . . A 164 GLN HA . 34660 1 1303 . 1 . 1 164 164 GLN HG2 H 1 1.888 0.000 . . . . . . A 164 GLN HG2 . 34660 1 1304 . 1 . 1 164 164 GLN HG3 H 1 1.888 0.000 . . . . . . A 164 GLN HG3 . 34660 1 1305 . 1 . 1 164 164 GLN CA C 13 58.621 0.148 . . . . . . A 164 GLN CA . 34660 1 1306 . 1 . 1 165 165 MET H H 1 8.095 0.000 . . . . . . A 165 MET H . 34660 1 1307 . 1 . 1 165 165 MET HA H 1 4.085 0.029 . . . . . . A 165 MET HA . 34660 1 1308 . 1 . 1 165 165 MET HB2 H 1 2.151 0.003 . . . . . . A 165 MET HB2 . 34660 1 1309 . 1 . 1 165 165 MET HB3 H 1 2.151 0.003 . . . . . . A 165 MET HB3 . 34660 1 1310 . 1 . 1 165 165 MET HG2 H 1 2.553 0.009 . . . . . . A 165 MET HG2 . 34660 1 1311 . 1 . 1 165 165 MET HG3 H 1 2.291 0.005 . . . . . . A 165 MET HG3 . 34660 1 1312 . 1 . 1 165 165 MET CA C 13 58.524 0.000 . . . . . . A 165 MET CA . 34660 1 1313 . 1 . 1 165 165 MET CB C 13 32.132 0.000 . . . . . . A 165 MET CB . 34660 1 1314 . 1 . 1 165 165 MET CG C 13 32.200 0.091 . . . . . . A 165 MET CG . 34660 1 1315 . 1 . 1 166 166 ALA H H 1 8.161 0.000 . . . . . . A 166 ALA H . 34660 1 1316 . 1 . 1 166 166 ALA HA H 1 3.939 0.004 . . . . . . A 166 ALA HA . 34660 1 1317 . 1 . 1 166 166 ALA HB1 H 1 1.289 0.027 . . . . . . A 166 ALA HB1 . 34660 1 1318 . 1 . 1 166 166 ALA HB2 H 1 1.289 0.027 . . . . . . A 166 ALA HB2 . 34660 1 1319 . 1 . 1 166 166 ALA HB3 H 1 1.289 0.027 . . . . . . A 166 ALA HB3 . 34660 1 1320 . 1 . 1 166 166 ALA CA C 13 55.960 0.000 . . . . . . A 166 ALA CA . 34660 1 1321 . 1 . 1 166 166 ALA CB C 13 18.235 0.000 . . . . . . A 166 ALA CB . 34660 1 1322 . 1 . 1 167 167 GLN H H 1 8.425 0.000 . . . . . . A 167 GLN H . 34660 1 1323 . 1 . 1 167 167 GLN HA H 1 3.616 0.011 . . . . . . A 167 GLN HA . 34660 1 1324 . 1 . 1 167 167 GLN HB2 H 1 2.164 0.005 . . . . . . A 167 GLN HB2 . 34660 1 1325 . 1 . 1 167 167 GLN HB3 H 1 1.916 0.006 . . . . . . A 167 GLN HB3 . 34660 1 1326 . 1 . 1 167 167 GLN HG2 H 1 2.476 0.056 . . . . . . A 167 GLN HG2 . 34660 1 1327 . 1 . 1 167 167 GLN HG3 H 1 1.869 0.065 . . . . . . A 167 GLN HG3 . 34660 1 1328 . 1 . 1 167 167 GLN HE22 H 1 6.726 0.000 . . . . . . A 167 GLN HE22 . 34660 1 1329 . 1 . 1 167 167 GLN CA C 13 60.456 0.114 . . . . . . A 167 GLN CA . 34660 1 1330 . 1 . 1 167 167 GLN CB C 13 29.674 0.005 . . . . . . A 167 GLN CB . 34660 1 1331 . 1 . 1 167 167 GLN CG C 13 36.705 0.000 . . . . . . A 167 GLN CG . 34660 1 1332 . 1 . 1 168 168 ARG HA H 1 3.905 0.014 . . . . . . A 168 ARG HA . 34660 1 1333 . 1 . 1 168 168 ARG HB2 H 1 1.901 0.005 . . . . . . A 168 ARG HB2 . 34660 1 1334 . 1 . 1 168 168 ARG HB3 H 1 1.901 0.005 . . . . . . A 168 ARG HB3 . 34660 1 1335 . 1 . 1 168 168 ARG HD2 H 1 3.188 0.006 . . . . . . A 168 ARG HD2 . 34660 1 1336 . 1 . 1 168 168 ARG HD3 H 1 3.188 0.006 . . . . . . A 168 ARG HD3 . 34660 1 1337 . 1 . 1 168 168 ARG CA C 13 59.613 0.022 . . . . . . A 168 ARG CA . 34660 1 1338 . 1 . 1 168 168 ARG CB C 13 29.667 0.038 . . . . . . A 168 ARG CB . 34660 1 1339 . 1 . 1 168 168 ARG CD C 13 43.316 0.000 . . . . . . A 168 ARG CD . 34660 1 1340 . 1 . 1 169 169 LYS H H 1 7.832 0.132 . . . . . . A 169 LYS H . 34660 1 1341 . 1 . 1 169 169 LYS HA H 1 4.155 0.010 . . . . . . A 169 LYS HA . 34660 1 1342 . 1 . 1 169 169 LYS HB2 H 1 1.896 0.023 . . . . . . A 169 LYS HB2 . 34660 1 1343 . 1 . 1 169 169 LYS HB3 H 1 1.896 0.023 . . . . . . A 169 LYS HB3 . 34660 1 1344 . 1 . 1 169 169 LYS HG2 H 1 1.546 0.001 . . . . . . A 169 LYS HG2 . 34660 1 1345 . 1 . 1 169 169 LYS CA C 13 58.454 0.074 . . . . . . A 169 LYS CA . 34660 1 1346 . 1 . 1 169 169 LYS CB C 13 31.821 0.000 . . . . . . A 169 LYS CB . 34660 1 1347 . 1 . 1 169 169 LYS CG C 13 24.953 0.019 . . . . . . A 169 LYS CG . 34660 1 1348 . 1 . 1 170 170 ILE H H 1 8.305 0.000 . . . . . . A 170 ILE H . 34660 1 1349 . 1 . 1 170 170 ILE HA H 1 3.564 0.005 . . . . . . A 170 ILE HA . 34660 1 1350 . 1 . 1 170 170 ILE HB H 1 1.777 0.009 . . . . . . A 170 ILE HB . 34660 1 1351 . 1 . 1 170 170 ILE HG12 H 1 0.792 0.010 . . . . . . A 170 ILE HG12 . 34660 1 1352 . 1 . 1 170 170 ILE HG13 H 1 0.792 0.010 . . . . . . A 170 ILE HG13 . 34660 1 1353 . 1 . 1 170 170 ILE HG21 H 1 0.696 0.004 . . . . . . A 170 ILE HG21 . 34660 1 1354 . 1 . 1 170 170 ILE HG22 H 1 0.696 0.004 . . . . . . A 170 ILE HG22 . 34660 1 1355 . 1 . 1 170 170 ILE HG23 H 1 0.696 0.004 . . . . . . A 170 ILE HG23 . 34660 1 1356 . 1 . 1 170 170 ILE HD11 H 1 0.624 0.005 . . . . . . A 170 ILE HD11 . 34660 1 1357 . 1 . 1 170 170 ILE HD12 H 1 0.624 0.005 . . . . . . A 170 ILE HD12 . 34660 1 1358 . 1 . 1 170 170 ILE HD13 H 1 0.624 0.005 . . . . . . A 170 ILE HD13 . 34660 1 1359 . 1 . 1 170 170 ILE CA C 13 65.863 0.007 . . . . . . A 170 ILE CA . 34660 1 1360 . 1 . 1 170 170 ILE CB C 13 37.177 0.100 . . . . . . A 170 ILE CB . 34660 1 1361 . 1 . 1 170 170 ILE CG1 C 13 30.981 0.000 . . . . . . A 170 ILE CG1 . 34660 1 1362 . 1 . 1 170 170 ILE CG2 C 13 17.228 0.001 . . . . . . A 170 ILE CG2 . 34660 1 1363 . 1 . 1 170 170 ILE CD1 C 13 13.663 0.030 . . . . . . A 170 ILE CD1 . 34660 1 1364 . 1 . 1 171 171 ARG H H 1 7.870 0.022 . . . . . . A 171 ARG H . 34660 1 1365 . 1 . 1 171 171 ARG HA H 1 3.900 0.006 . . . . . . A 171 ARG HA . 34660 1 1366 . 1 . 1 171 171 ARG HB2 H 1 2.056 0.010 . . . . . . A 171 ARG HB2 . 34660 1 1367 . 1 . 1 171 171 ARG HB3 H 1 2.056 0.010 . . . . . . A 171 ARG HB3 . 34660 1 1368 . 1 . 1 171 171 ARG HG2 H 1 1.891 0.027 . . . . . . A 171 ARG HG2 . 34660 1 1369 . 1 . 1 171 171 ARG HG3 H 1 1.734 0.007 . . . . . . A 171 ARG HG3 . 34660 1 1370 . 1 . 1 171 171 ARG HD2 H 1 3.186 0.012 . . . . . . A 171 ARG HD2 . 34660 1 1371 . 1 . 1 171 171 ARG HD3 H 1 3.186 0.012 . . . . . . A 171 ARG HD3 . 34660 1 1372 . 1 . 1 171 171 ARG CA C 13 60.003 0.055 . . . . . . A 171 ARG CA . 34660 1 1373 . 1 . 1 171 171 ARG CB C 13 29.521 0.006 . . . . . . A 171 ARG CB . 34660 1 1374 . 1 . 1 171 171 ARG CG C 13 27.767 0.033 . . . . . . A 171 ARG CG . 34660 1 1375 . 1 . 1 171 171 ARG CD C 13 43.217 0.146 . . . . . . A 171 ARG CD . 34660 1 1376 . 1 . 1 172 172 ASP HA H 1 4.444 0.004 . . . . . . A 172 ASP HA . 34660 1 1377 . 1 . 1 172 172 ASP HB2 H 1 2.884 0.016 . . . . . . A 172 ASP HB2 . 34660 1 1378 . 1 . 1 172 172 ASP HB3 H 1 2.694 0.003 . . . . . . A 172 ASP HB3 . 34660 1 1379 . 1 . 1 172 172 ASP CA C 13 57.635 0.000 . . . . . . A 172 ASP CA . 34660 1 1380 . 1 . 1 172 172 ASP CB C 13 40.521 0.024 . . . . . . A 172 ASP CB . 34660 1 1381 . 1 . 1 173 173 ILE H H 1 7.921 0.012 . . . . . . A 173 ILE H . 34660 1 1382 . 1 . 1 173 173 ILE HA H 1 3.663 0.011 . . . . . . A 173 ILE HA . 34660 1 1383 . 1 . 1 173 173 ILE HB H 1 1.970 0.009 . . . . . . A 173 ILE HB . 34660 1 1384 . 1 . 1 173 173 ILE HG12 H 1 1.834 0.019 . . . . . . A 173 ILE HG12 . 34660 1 1385 . 1 . 1 173 173 ILE HG13 H 1 1.017 0.002 . . . . . . A 173 ILE HG13 . 34660 1 1386 . 1 . 1 173 173 ILE HG21 H 1 0.689 0.008 . . . . . . A 173 ILE HG21 . 34660 1 1387 . 1 . 1 173 173 ILE HG22 H 1 0.689 0.008 . . . . . . A 173 ILE HG22 . 34660 1 1388 . 1 . 1 173 173 ILE HG23 H 1 0.689 0.008 . . . . . . A 173 ILE HG23 . 34660 1 1389 . 1 . 1 173 173 ILE HD11 H 1 0.729 0.014 . . . . . . A 173 ILE HD11 . 34660 1 1390 . 1 . 1 173 173 ILE HD12 H 1 0.729 0.014 . . . . . . A 173 ILE HD12 . 34660 1 1391 . 1 . 1 173 173 ILE HD13 H 1 0.729 0.014 . . . . . . A 173 ILE HD13 . 34660 1 1392 . 1 . 1 173 173 ILE CA C 13 65.320 0.017 . . . . . . A 173 ILE CA . 34660 1 1393 . 1 . 1 173 173 ILE CB C 13 38.453 0.030 . . . . . . A 173 ILE CB . 34660 1 1394 . 1 . 1 173 173 ILE CG1 C 13 29.187 0.032 . . . . . . A 173 ILE CG1 . 34660 1 1395 . 1 . 1 173 173 ILE CG2 C 13 17.172 0.000 . . . . . . A 173 ILE CG2 . 34660 1 1396 . 1 . 1 173 173 ILE CD1 C 13 14.400 0.000 . . . . . . A 173 ILE CD1 . 34660 1 1397 . 1 . 1 174 174 LEU H H 1 8.113 0.011 . . . . . . A 174 LEU H . 34660 1 1398 . 1 . 1 174 174 LEU HA H 1 3.925 0.013 . . . . . . A 174 LEU HA . 34660 1 1399 . 1 . 1 174 174 LEU HB2 H 1 1.901 0.004 . . . . . . A 174 LEU HB2 . 34660 1 1400 . 1 . 1 174 174 LEU HB3 H 1 1.519 0.010 . . . . . . A 174 LEU HB3 . 34660 1 1401 . 1 . 1 174 174 LEU HG H 1 1.935 0.001 . . . . . . A 174 LEU HG . 34660 1 1402 . 1 . 1 174 174 LEU HD11 H 1 0.864 0.013 . . . . . . A 174 LEU HD11 . 34660 1 1403 . 1 . 1 174 174 LEU HD12 H 1 0.864 0.013 . . . . . . A 174 LEU HD12 . 34660 1 1404 . 1 . 1 174 174 LEU HD13 H 1 0.864 0.013 . . . . . . A 174 LEU HD13 . 34660 1 1405 . 1 . 1 174 174 LEU HD21 H 1 0.703 0.010 . . . . . . A 174 LEU HD21 . 34660 1 1406 . 1 . 1 174 174 LEU HD22 H 1 0.703 0.010 . . . . . . A 174 LEU HD22 . 34660 1 1407 . 1 . 1 174 174 LEU HD23 H 1 0.703 0.010 . . . . . . A 174 LEU HD23 . 34660 1 1408 . 1 . 1 174 174 LEU CA C 13 57.241 0.003 . . . . . . A 174 LEU CA . 34660 1 1409 . 1 . 1 174 174 LEU CB C 13 40.772 0.021 . . . . . . A 174 LEU CB . 34660 1 1410 . 1 . 1 174 174 LEU CG C 13 26.870 0.016 . . . . . . A 174 LEU CG . 34660 1 1411 . 1 . 1 174 174 LEU CD1 C 13 25.421 0.076 . . . . . . A 174 LEU CD1 . 34660 1 1412 . 1 . 1 174 174 LEU CD2 C 13 22.860 0.000 . . . . . . A 174 LEU CD2 . 34660 1 1413 . 1 . 1 175 175 ALA H H 1 7.929 0.011 . . . . . . A 175 ALA H . 34660 1 1414 . 1 . 1 175 175 ALA HA H 1 4.179 0.002 . . . . . . A 175 ALA HA . 34660 1 1415 . 1 . 1 175 175 ALA HB1 H 1 1.545 0.005 . . . . . . A 175 ALA HB1 . 34660 1 1416 . 1 . 1 175 175 ALA HB2 H 1 1.545 0.005 . . . . . . A 175 ALA HB2 . 34660 1 1417 . 1 . 1 175 175 ALA HB3 H 1 1.545 0.005 . . . . . . A 175 ALA HB3 . 34660 1 1418 . 1 . 1 175 175 ALA CA C 13 54.529 0.070 . . . . . . A 175 ALA CA . 34660 1 1419 . 1 . 1 175 175 ALA CB C 13 18.319 0.005 . . . . . . A 175 ALA CB . 34660 1 1420 . 1 . 1 176 176 GLN H H 1 7.677 0.003 . . . . . . A 176 GLN H . 34660 1 1421 . 1 . 1 176 176 GLN HA H 1 4.133 0.006 . . . . . . A 176 GLN HA . 34660 1 1422 . 1 . 1 176 176 GLN HB2 H 1 2.178 0.008 . . . . . . A 176 GLN HB2 . 34660 1 1423 . 1 . 1 176 176 GLN HB3 H 1 2.178 0.008 . . . . . . A 176 GLN HB3 . 34660 1 1424 . 1 . 1 176 176 GLN HG2 H 1 2.535 0.006 . . . . . . A 176 GLN HG2 . 34660 1 1425 . 1 . 1 176 176 GLN HG3 H 1 2.415 0.013 . . . . . . A 176 GLN HG3 . 34660 1 1426 . 1 . 1 176 176 GLN HE21 H 1 7.358 0.000 . . . . . . A 176 GLN HE21 . 34660 1 1427 . 1 . 1 176 176 GLN HE22 H 1 6.817 0.000 . . . . . . A 176 GLN HE22 . 34660 1 1428 . 1 . 1 176 176 GLN CA C 13 57.836 0.120 . . . . . . A 176 GLN CA . 34660 1 1429 . 1 . 1 176 176 GLN CB C 13 28.561 0.049 . . . . . . A 176 GLN CB . 34660 1 1430 . 1 . 1 176 176 GLN CG C 13 34.059 0.056 . . . . . . A 176 GLN CG . 34660 1 1431 . 1 . 1 177 177 VAL H H 1 7.760 0.003 . . . . . . A 177 VAL H . 34660 1 1432 . 1 . 1 177 177 VAL HA H 1 3.851 0.003 . . . . . . A 177 VAL HA . 34660 1 1433 . 1 . 1 177 177 VAL HB H 1 2.165 0.006 . . . . . . A 177 VAL HB . 34660 1 1434 . 1 . 1 177 177 VAL HG11 H 1 0.960 0.006 . . . . . . A 177 VAL HG11 . 34660 1 1435 . 1 . 1 177 177 VAL HG12 H 1 0.960 0.006 . . . . . . A 177 VAL HG12 . 34660 1 1436 . 1 . 1 177 177 VAL HG13 H 1 0.960 0.006 . . . . . . A 177 VAL HG13 . 34660 1 1437 . 1 . 1 177 177 VAL HG21 H 1 0.884 0.007 . . . . . . A 177 VAL HG21 . 34660 1 1438 . 1 . 1 177 177 VAL HG22 H 1 0.884 0.007 . . . . . . A 177 VAL HG22 . 34660 1 1439 . 1 . 1 177 177 VAL HG23 H 1 0.884 0.007 . . . . . . A 177 VAL HG23 . 34660 1 1440 . 1 . 1 177 177 VAL CA C 13 64.373 0.182 . . . . . . A 177 VAL CA . 34660 1 1441 . 1 . 1 177 177 VAL CB C 13 31.952 0.013 . . . . . . A 177 VAL CB . 34660 1 1442 . 1 . 1 177 177 VAL CG1 C 13 21.674 0.026 . . . . . . A 177 VAL CG1 . 34660 1 1443 . 1 . 1 177 177 VAL CG2 C 13 21.338 0.010 . . . . . . A 177 VAL CG2 . 34660 1 1444 . 1 . 1 178 178 LYS H H 1 7.908 0.007 . . . . . . A 178 LYS H . 34660 1 1445 . 1 . 1 178 178 LYS HA H 1 4.163 0.007 . . . . . . A 178 LYS HA . 34660 1 1446 . 1 . 1 178 178 LYS HB2 H 1 1.847 0.011 . . . . . . A 178 LYS HB2 . 34660 1 1447 . 1 . 1 178 178 LYS HB3 H 1 1.847 0.011 . . . . . . A 178 LYS HB3 . 34660 1 1448 . 1 . 1 178 178 LYS HG2 H 1 1.492 0.007 . . . . . . A 178 LYS HG2 . 34660 1 1449 . 1 . 1 178 178 LYS HG3 H 1 1.414 0.007 . . . . . . A 178 LYS HG3 . 34660 1 1450 . 1 . 1 178 178 LYS HD2 H 1 1.656 0.000 . . . . . . A 178 LYS HD2 . 34660 1 1451 . 1 . 1 178 178 LYS HD3 H 1 1.656 0.000 . . . . . . A 178 LYS HD3 . 34660 1 1452 . 1 . 1 178 178 LYS HE2 H 1 2.960 0.010 . . . . . . A 178 LYS HE2 . 34660 1 1453 . 1 . 1 178 178 LYS HE3 H 1 2.960 0.010 . . . . . . A 178 LYS HE3 . 34660 1 1454 . 1 . 1 178 178 LYS CA C 13 58.094 0.045 . . . . . . A 178 LYS CA . 34660 1 1455 . 1 . 1 178 178 LYS CB C 13 32.573 0.065 . . . . . . A 178 LYS CB . 34660 1 1456 . 1 . 1 178 178 LYS CG C 13 25.083 0.040 . . . . . . A 178 LYS CG . 34660 1 1457 . 1 . 1 178 178 LYS CE C 13 42.100 0.007 . . . . . . A 178 LYS CE . 34660 1 1458 . 1 . 1 179 179 GLN H H 1 7.894 0.000 . . . . . . A 179 GLN H . 34660 1 1459 . 1 . 1 179 179 GLN HA H 1 4.213 0.003 . . . . . . A 179 GLN HA . 34660 1 1460 . 1 . 1 179 179 GLN HB2 H 1 2.014 0.000 . . . . . . A 179 GLN HB2 . 34660 1 1461 . 1 . 1 179 179 GLN HB3 H 1 2.014 0.000 . . . . . . A 179 GLN HB3 . 34660 1 1462 . 1 . 1 179 179 GLN HG2 H 1 2.372 0.006 . . . . . . A 179 GLN HG2 . 34660 1 1463 . 1 . 1 179 179 GLN HG3 H 1 2.372 0.006 . . . . . . A 179 GLN HG3 . 34660 1 1464 . 1 . 1 179 179 GLN HE21 H 1 7.392 0.000 . . . . . . A 179 GLN HE21 . 34660 1 1465 . 1 . 1 179 179 GLN HE22 H 1 6.787 0.000 . . . . . . A 179 GLN HE22 . 34660 1 1466 . 1 . 1 179 179 GLN CA C 13 56.918 0.051 . . . . . . A 179 GLN CA . 34660 1 1467 . 1 . 1 179 179 GLN CG C 13 33.920 0.051 . . . . . . A 179 GLN CG . 34660 1 1468 . 1 . 1 180 180 GLN H H 1 7.907 0.000 . . . . . . A 180 GLN H . 34660 1 1469 . 1 . 1 181 181 HIS HA H 1 4.646 0.000 . . . . . . A 181 HIS HA . 34660 1 1470 . 1 . 1 181 181 HIS HB2 H 1 3.257 0.002 . . . . . . A 181 HIS HB2 . 34660 1 1471 . 1 . 1 181 181 HIS HB3 H 1 3.137 0.020 . . . . . . A 181 HIS HB3 . 34660 1 1472 . 1 . 1 181 181 HIS CB C 13 30.106 0.002 . . . . . . A 181 HIS CB . 34660 1 stop_ save_