data_31070 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31070 _Entry.Title ; FlgN-FliJ fusion complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2023-01-13 _Entry.Accession_date 2023-01-13 _Entry.Last_release_date 2023-02-13 _Entry.Original_release_date 2023-02-13 _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 P. Rossi P. . . . 31070 2 C. Kalodimos C. G. . . 31070 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CHAPERONE . 31070 'Chaperone-client complex' . 31070 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31070 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 625 31070 '15N chemical shifts' 170 31070 '1H chemical shifts' 463 31070 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 . . 2023-06-27 . original BMRB . 31070 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 8FTX 'BMRB Entry Tracking System' 31070 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31070 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37330284 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Chaperone Recycling in Late-Stage Flagellar Assembly ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 1089-8638 _Citation.Journal_CSD 0353 _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 167954 _Citation.Page_last 167954 _Citation.Year 2023 _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 P. Rossi P. . . . 31070 1 2 Q. Xing Q. . . . 31070 1 3 E. Bini E. . . . 31070 1 4 A. Portaliou A. . . . 31070 1 5 M. Clay M. C. . . 31070 1 6 E. Warren E. M. . . 31070 1 7 N. Khanra N. K. . . 31070 1 8 A. Economou A. . . . 31070 1 9 C. Kalodimos C. G. . . 31070 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31070 _Assembly.ID 1 _Assembly.Name 'Flagella biosynthesis chaperone FlgN, Flagellar FliJ protein fusion' _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 . . . . . . 31070 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31070 _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 ; MTRLSEILDQMTTVLNDLKT VMDAEQQQLSVGQINGSQLQ RITEEKSSLLATLDYLEQQR RLEQNAQRSANDDIAERWQA ITEKTQHLRDLNQHNGWLLE GQIERNQQALEVLKPHQEPT LYGADGQTSVSHRGGKKISI VLFQGPSAGLVPRGSGGIEG MAQHGALETLKDLAEKEVDD AARLLGEMRRGCQQAEEQLK MLIDYQNEYRSNLN ; _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 214 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24116.904 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _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 'Flagella synthesis protein FlgN' common 31070 1 'Flagellar biosynthesis protein FlgN' common 31070 1 'Putative FlgK/FlgL export chaperone' common 31070 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 31070 1 2 . THR . 31070 1 3 . ARG . 31070 1 4 . LEU . 31070 1 5 . SER . 31070 1 6 . GLU . 31070 1 7 . ILE . 31070 1 8 . LEU . 31070 1 9 . ASP . 31070 1 10 . GLN . 31070 1 11 . MET . 31070 1 12 . THR . 31070 1 13 . THR . 31070 1 14 . VAL . 31070 1 15 . LEU . 31070 1 16 . ASN . 31070 1 17 . ASP . 31070 1 18 . LEU . 31070 1 19 . LYS . 31070 1 20 . THR . 31070 1 21 . VAL . 31070 1 22 . MET . 31070 1 23 . ASP . 31070 1 24 . ALA . 31070 1 25 . GLU . 31070 1 26 . GLN . 31070 1 27 . GLN . 31070 1 28 . GLN . 31070 1 29 . LEU . 31070 1 30 . SER . 31070 1 31 . VAL . 31070 1 32 . GLY . 31070 1 33 . GLN . 31070 1 34 . ILE . 31070 1 35 . ASN . 31070 1 36 . GLY . 31070 1 37 . SER . 31070 1 38 . GLN . 31070 1 39 . LEU . 31070 1 40 . GLN . 31070 1 41 . ARG . 31070 1 42 . ILE . 31070 1 43 . THR . 31070 1 44 . GLU . 31070 1 45 . GLU . 31070 1 46 . LYS . 31070 1 47 . SER . 31070 1 48 . SER . 31070 1 49 . LEU . 31070 1 50 . LEU . 31070 1 51 . ALA . 31070 1 52 . THR . 31070 1 53 . LEU . 31070 1 54 . ASP . 31070 1 55 . TYR . 31070 1 56 . LEU . 31070 1 57 . GLU . 31070 1 58 . GLN . 31070 1 59 . GLN . 31070 1 60 . ARG . 31070 1 61 . ARG . 31070 1 62 . LEU . 31070 1 63 . GLU . 31070 1 64 . GLN . 31070 1 65 . ASN . 31070 1 66 . ALA . 31070 1 67 . GLN . 31070 1 68 . ARG . 31070 1 69 . SER . 31070 1 70 . ALA . 31070 1 71 . ASN . 31070 1 72 . ASP . 31070 1 73 . ASP . 31070 1 74 . ILE . 31070 1 75 . ALA . 31070 1 76 . GLU . 31070 1 77 . ARG . 31070 1 78 . TRP . 31070 1 79 . GLN . 31070 1 80 . ALA . 31070 1 81 . ILE . 31070 1 82 . THR . 31070 1 83 . GLU . 31070 1 84 . LYS . 31070 1 85 . THR . 31070 1 86 . GLN . 31070 1 87 . HIS . 31070 1 88 . LEU . 31070 1 89 . ARG . 31070 1 90 . ASP . 31070 1 91 . LEU . 31070 1 92 . ASN . 31070 1 93 . GLN . 31070 1 94 . HIS . 31070 1 95 . ASN . 31070 1 96 . GLY . 31070 1 97 . TRP . 31070 1 98 . LEU . 31070 1 99 . LEU . 31070 1 100 . GLU . 31070 1 101 . GLY . 31070 1 102 . GLN . 31070 1 103 . ILE . 31070 1 104 . GLU . 31070 1 105 . ARG . 31070 1 106 . ASN . 31070 1 107 . GLN . 31070 1 108 . GLN . 31070 1 109 . ALA . 31070 1 110 . LEU . 31070 1 111 . GLU . 31070 1 112 . VAL . 31070 1 113 . LEU . 31070 1 114 . LYS . 31070 1 115 . PRO . 31070 1 116 . HIS . 31070 1 117 . GLN . 31070 1 118 . GLU . 31070 1 119 . PRO . 31070 1 120 . THR . 31070 1 121 . LEU . 31070 1 122 . TYR . 31070 1 123 . GLY . 31070 1 124 . ALA . 31070 1 125 . ASP . 31070 1 126 . GLY . 31070 1 127 . GLN . 31070 1 128 . THR . 31070 1 129 . SER . 31070 1 130 . VAL . 31070 1 131 . SER . 31070 1 132 . HIS . 31070 1 133 . ARG . 31070 1 134 . GLY . 31070 1 135 . GLY . 31070 1 136 . LYS . 31070 1 137 . LYS . 31070 1 138 . ILE . 31070 1 139 . SER . 31070 1 140 . ILE . 31070 1 141 . VAL . 31070 1 142 . LEU . 31070 1 143 . PHE . 31070 1 144 . GLN . 31070 1 145 . GLY . 31070 1 146 . PRO . 31070 1 147 . SER . 31070 1 148 . ALA . 31070 1 149 . GLY . 31070 1 150 . LEU . 31070 1 151 . VAL . 31070 1 152 . PRO . 31070 1 153 . ARG . 31070 1 154 . GLY . 31070 1 155 . SER . 31070 1 156 . GLY . 31070 1 157 . GLY . 31070 1 158 . ILE . 31070 1 159 . GLU . 31070 1 160 . GLY . 31070 1 161 . MET . 31070 1 162 . ALA . 31070 1 163 . GLN . 31070 1 164 . HIS . 31070 1 165 . GLY . 31070 1 166 . ALA . 31070 1 167 . LEU . 31070 1 168 . GLU . 31070 1 169 . THR . 31070 1 170 . LEU . 31070 1 171 . LYS . 31070 1 172 . ASP . 31070 1 173 . LEU . 31070 1 174 . ALA . 31070 1 175 . GLU . 31070 1 176 . LYS . 31070 1 177 . GLU . 31070 1 178 . VAL . 31070 1 179 . ASP . 31070 1 180 . ASP . 31070 1 181 . ALA . 31070 1 182 . ALA . 31070 1 183 . ARG . 31070 1 184 . LEU . 31070 1 185 . LEU . 31070 1 186 . GLY . 31070 1 187 . GLU . 31070 1 188 . MET . 31070 1 189 . ARG . 31070 1 190 . ARG . 31070 1 191 . GLY . 31070 1 192 . CYS . 31070 1 193 . GLN . 31070 1 194 . GLN . 31070 1 195 . ALA . 31070 1 196 . GLU . 31070 1 197 . GLU . 31070 1 198 . GLN . 31070 1 199 . LEU . 31070 1 200 . LYS . 31070 1 201 . MET . 31070 1 202 . LEU . 31070 1 203 . ILE . 31070 1 204 . ASP . 31070 1 205 . TYR . 31070 1 206 . GLN . 31070 1 207 . ASN . 31070 1 208 . GLU . 31070 1 209 . TYR . 31070 1 210 . ARG . 31070 1 211 . SER . 31070 1 212 . ASN . 31070 1 213 . LEU . 31070 1 214 . ASN . 31070 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 31070 1 . THR 2 2 31070 1 . ARG 3 3 31070 1 . LEU 4 4 31070 1 . SER 5 5 31070 1 . GLU 6 6 31070 1 . ILE 7 7 31070 1 . LEU 8 8 31070 1 . ASP 9 9 31070 1 . GLN 10 10 31070 1 . MET 11 11 31070 1 . THR 12 12 31070 1 . THR 13 13 31070 1 . VAL 14 14 31070 1 . LEU 15 15 31070 1 . ASN 16 16 31070 1 . ASP 17 17 31070 1 . LEU 18 18 31070 1 . LYS 19 19 31070 1 . THR 20 20 31070 1 . VAL 21 21 31070 1 . MET 22 22 31070 1 . ASP 23 23 31070 1 . ALA 24 24 31070 1 . GLU 25 25 31070 1 . GLN 26 26 31070 1 . GLN 27 27 31070 1 . GLN 28 28 31070 1 . LEU 29 29 31070 1 . SER 30 30 31070 1 . VAL 31 31 31070 1 . GLY 32 32 31070 1 . GLN 33 33 31070 1 . ILE 34 34 31070 1 . ASN 35 35 31070 1 . GLY 36 36 31070 1 . SER 37 37 31070 1 . GLN 38 38 31070 1 . LEU 39 39 31070 1 . GLN 40 40 31070 1 . ARG 41 41 31070 1 . ILE 42 42 31070 1 . THR 43 43 31070 1 . GLU 44 44 31070 1 . GLU 45 45 31070 1 . LYS 46 46 31070 1 . SER 47 47 31070 1 . SER 48 48 31070 1 . LEU 49 49 31070 1 . LEU 50 50 31070 1 . ALA 51 51 31070 1 . THR 52 52 31070 1 . LEU 53 53 31070 1 . ASP 54 54 31070 1 . TYR 55 55 31070 1 . LEU 56 56 31070 1 . GLU 57 57 31070 1 . GLN 58 58 31070 1 . GLN 59 59 31070 1 . ARG 60 60 31070 1 . ARG 61 61 31070 1 . LEU 62 62 31070 1 . GLU 63 63 31070 1 . GLN 64 64 31070 1 . ASN 65 65 31070 1 . ALA 66 66 31070 1 . GLN 67 67 31070 1 . ARG 68 68 31070 1 . SER 69 69 31070 1 . ALA 70 70 31070 1 . ASN 71 71 31070 1 . ASP 72 72 31070 1 . ASP 73 73 31070 1 . ILE 74 74 31070 1 . ALA 75 75 31070 1 . GLU 76 76 31070 1 . ARG 77 77 31070 1 . TRP 78 78 31070 1 . GLN 79 79 31070 1 . ALA 80 80 31070 1 . ILE 81 81 31070 1 . THR 82 82 31070 1 . GLU 83 83 31070 1 . LYS 84 84 31070 1 . THR 85 85 31070 1 . GLN 86 86 31070 1 . HIS 87 87 31070 1 . LEU 88 88 31070 1 . ARG 89 89 31070 1 . ASP 90 90 31070 1 . LEU 91 91 31070 1 . ASN 92 92 31070 1 . GLN 93 93 31070 1 . HIS 94 94 31070 1 . ASN 95 95 31070 1 . GLY 96 96 31070 1 . TRP 97 97 31070 1 . LEU 98 98 31070 1 . LEU 99 99 31070 1 . GLU 100 100 31070 1 . GLY 101 101 31070 1 . GLN 102 102 31070 1 . ILE 103 103 31070 1 . GLU 104 104 31070 1 . ARG 105 105 31070 1 . ASN 106 106 31070 1 . GLN 107 107 31070 1 . GLN 108 108 31070 1 . ALA 109 109 31070 1 . LEU 110 110 31070 1 . GLU 111 111 31070 1 . VAL 112 112 31070 1 . LEU 113 113 31070 1 . LYS 114 114 31070 1 . PRO 115 115 31070 1 . HIS 116 116 31070 1 . GLN 117 117 31070 1 . GLU 118 118 31070 1 . PRO 119 119 31070 1 . THR 120 120 31070 1 . LEU 121 121 31070 1 . TYR 122 122 31070 1 . GLY 123 123 31070 1 . ALA 124 124 31070 1 . ASP 125 125 31070 1 . GLY 126 126 31070 1 . GLN 127 127 31070 1 . THR 128 128 31070 1 . SER 129 129 31070 1 . VAL 130 130 31070 1 . SER 131 131 31070 1 . HIS 132 132 31070 1 . ARG 133 133 31070 1 . GLY 134 134 31070 1 . GLY 135 135 31070 1 . LYS 136 136 31070 1 . LYS 137 137 31070 1 . ILE 138 138 31070 1 . SER 139 139 31070 1 . ILE 140 140 31070 1 . VAL 141 141 31070 1 . LEU 142 142 31070 1 . PHE 143 143 31070 1 . GLN 144 144 31070 1 . GLY 145 145 31070 1 . PRO 146 146 31070 1 . SER 147 147 31070 1 . ALA 148 148 31070 1 . GLY 149 149 31070 1 . LEU 150 150 31070 1 . VAL 151 151 31070 1 . PRO 152 152 31070 1 . ARG 153 153 31070 1 . GLY 154 154 31070 1 . SER 155 155 31070 1 . GLY 156 156 31070 1 . GLY 157 157 31070 1 . ILE 158 158 31070 1 . GLU 159 159 31070 1 . GLY 160 160 31070 1 . MET 161 161 31070 1 . ALA 162 162 31070 1 . GLN 163 163 31070 1 . HIS 164 164 31070 1 . GLY 165 165 31070 1 . ALA 166 166 31070 1 . LEU 167 167 31070 1 . GLU 168 168 31070 1 . THR 169 169 31070 1 . LEU 170 170 31070 1 . LYS 171 171 31070 1 . ASP 172 172 31070 1 . LEU 173 173 31070 1 . ALA 174 174 31070 1 . GLU 175 175 31070 1 . LYS 176 176 31070 1 . GLU 177 177 31070 1 . VAL 178 178 31070 1 . ASP 179 179 31070 1 . ASP 180 180 31070 1 . ALA 181 181 31070 1 . ALA 182 182 31070 1 . ARG 183 183 31070 1 . LEU 184 184 31070 1 . LEU 185 185 31070 1 . GLY 186 186 31070 1 . GLU 187 187 31070 1 . MET 188 188 31070 1 . ARG 189 189 31070 1 . ARG 190 190 31070 1 . GLY 191 191 31070 1 . CYS 192 192 31070 1 . GLN 193 193 31070 1 . GLN 194 194 31070 1 . ALA 195 195 31070 1 . GLU 196 196 31070 1 . GLU 197 197 31070 1 . GLN 198 198 31070 1 . LEU 199 199 31070 1 . LYS 200 200 31070 1 . MET 201 201 31070 1 . LEU 202 202 31070 1 . ILE 203 203 31070 1 . ASP 204 204 31070 1 . TYR 205 205 31070 1 . GLN 206 206 31070 1 . ASN 207 207 31070 1 . GLU 208 208 31070 1 . TYR 209 209 31070 1 . ARG 210 210 31070 1 . SER 211 211 31070 1 . ASN 212 212 31070 1 . LEU 213 213 31070 1 . ASN 214 214 31070 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31070 _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 . 90371 . . 'Salmonella enterica subsp. enterica serovar Typhimurium' 'Salmonella enterica subsp. enterica serovar Typhimurium' . . Bacteria . Salmonella enterica . . . . . . . . . . . 'flgN, fliJ' . 31070 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 31070 _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 . . . . . . . . . . 31070 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31070 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM [U-13C; U-15N; U-2H] FlgN_1-113_FliJ_1-54_fusion, 20 mM potassium phosphate, 100 mM potassium chloride, 0.05 % sodium azide, 5 mM beta-mercaptoethanol, 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 FlgN_1-113_FliJ_1-54_fusion '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 300 . . uM . . . . 31070 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 31070 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 31070 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 31070 1 5 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 31070 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31070 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 300 uM 15N_1H,13C_ILVMAT_CH3_U1H,13C_Tyr_Phe FlgN_1-113_FliJ_1-54_fusion, 20 mM potassium phosphate, 100 mM potassium chloride, 0.05 % sodium azide, 5 mM beta-mercaptoethanol, 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 FlgN_1-113_FliJ_1-54_fusion [15N_1H,13C_ILVMAT_CH3_U1H,13C_Tyr_Phe] . . 1 $entity_1 . . 300 . . uM . . . . 31070 2 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 31070 2 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 31070 2 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 31070 2 5 beta-mercaptoethanol 'natural abundance' . . . . . . 5 . . mM . . . . 31070 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 31070 _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' 120 . mM 31070 1 pH 7.0 . pH 31070 1 pressure 1 . atm 31070 1 temperature 298 . K 31070 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31070 _Software.ID 1 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 31070 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31070 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31070 _Software.ID 2 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 31070 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31070 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31070 _Software.ID 3 _Software.Type . _Software.Name PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bahrami, Markley, Assadi, and Eghbalnia' . . 31070 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31070 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31070 _Software.ID 4 _Software.Type . _Software.Name Sparky _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 31070 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'peak picking' . 31070 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 31070 _Software.ID 5 _Software.Type . _Software.Name TALOS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 31070 5 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'geometry optimization' . 31070 5 stop_ save_ save_software_6 _Software.Sf_category software _Software.Sf_framecode software_6 _Software.Entry_ID 31070 _Software.ID 6 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 31070 6 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 31070 6 stop_ save_ save_software_7 _Software.Sf_category software _Software.Sf_framecode software_7 _Software.Entry_ID 31070 _Software.ID 7 _Software.Type . _Software.Name PdbStat _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'tejero and montelione' . . 31070 7 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31070 7 stop_ save_ save_software_8 _Software.Sf_category software _Software.Sf_framecode software_8 _Software.Entry_ID 31070 _Software.ID 8 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31070 8 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31070 8 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 31070 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 31070 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 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 31070 _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 AVANCE . 700 . . . 31070 1 2 NMR_spectrometer_2 Bruker AVANCE . 850 . . . 31070 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 31070 _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-13C HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31070 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31070 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31070 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31070 1 5 '3D CCH_noesy' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31070 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31070 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31070 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 31070 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31070 1 10 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31070 1 11 '3D HN(COCA)CB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31070 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 31070 _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 0.000 internal indirect 0.251449530 . . . . . 31070 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31070 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31070 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 31070 _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-13C HSQC' . . . 31070 1 2 '2D 1H-15N HSQC' . . . 31070 1 3 '3D HNCACB' . . . 31070 1 4 '2D 1H-15N HSQC' . . . 31070 1 5 '3D CCH_noesy' . . . 31070 1 6 '3D 1H-15N NOESY' . . . 31070 1 7 '3D 1H-13C NOESY aromatic' . . . 31070 1 8 '3D 1H-13C NOESY' . . . 31070 1 9 '3D 1H-15N NOESY' . . . 31070 1 10 '3D HNCO' . . . 31070 1 11 '3D HN(COCA)CB' . . . 31070 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 1 1 MET HE1 H 1 2.055 0.00 . . . . . . A 1 MET HE1 . 31070 1 2 . 1 . 1 1 1 MET HE2 H 1 2.055 0.00 . . . . . . A 1 MET HE2 . 31070 1 3 . 1 . 1 1 1 MET HE3 H 1 2.055 0.00 . . . . . . A 1 MET HE3 . 31070 1 4 . 1 . 1 1 1 MET CE C 13 17.085 0.00 . . . . . . A 1 MET CE . 31070 1 5 . 1 . 1 2 2 THR HG21 H 1 1.158 0.00 . . . . . . A 2 THR HG21 . 31070 1 6 . 1 . 1 2 2 THR HG22 H 1 1.158 0.00 . . . . . . A 2 THR HG22 . 31070 1 7 . 1 . 1 2 2 THR HG23 H 1 1.158 0.00 . . . . . . A 2 THR HG23 . 31070 1 8 . 1 . 1 2 2 THR CG2 C 13 21.493 0.00 . . . . . . A 2 THR CG2 . 31070 1 9 . 1 . 1 3 3 ARG CA C 13 58.460 0.00 . . . . . . A 3 ARG CA . 31070 1 10 . 1 . 1 3 3 ARG CB C 13 29.193 0.01 . . . . . . A 3 ARG CB . 31070 1 11 . 1 . 1 4 4 LEU H H 1 8.462 0.00 . . . . . . A 4 LEU H . 31070 1 12 . 1 . 1 4 4 LEU HD11 H 1 0.849 0.00 . . . . . . A 4 LEU HD11 . 31070 1 13 . 1 . 1 4 4 LEU HD12 H 1 0.849 0.00 . . . . . . A 4 LEU HD12 . 31070 1 14 . 1 . 1 4 4 LEU HD13 H 1 0.849 0.00 . . . . . . A 4 LEU HD13 . 31070 1 15 . 1 . 1 4 4 LEU HD21 H 1 0.871 0.00 . . . . . . A 4 LEU HD21 . 31070 1 16 . 1 . 1 4 4 LEU HD22 H 1 0.871 0.00 . . . . . . A 4 LEU HD22 . 31070 1 17 . 1 . 1 4 4 LEU HD23 H 1 0.871 0.00 . . . . . . A 4 LEU HD23 . 31070 1 18 . 1 . 1 4 4 LEU C C 13 177.850 0.04 . . . . . . A 4 LEU C . 31070 1 19 . 1 . 1 4 4 LEU CA C 13 58.593 0.09 . . . . . . A 4 LEU CA . 31070 1 20 . 1 . 1 4 4 LEU CB C 13 41.068 0.02 . . . . . . A 4 LEU CB . 31070 1 21 . 1 . 1 4 4 LEU CD1 C 13 26.256 0.00 . . . . . . A 4 LEU CD1 . 31070 1 22 . 1 . 1 4 4 LEU CD2 C 13 23.241 0.00 . . . . . . A 4 LEU CD2 . 31070 1 23 . 1 . 1 4 4 LEU N N 15 118.989 0.00 . . . . . . A 4 LEU N . 31070 1 24 . 1 . 1 5 5 SER H H 1 8.080 0.00 . . . . . . A 5 SER H . 31070 1 25 . 1 . 1 5 5 SER C C 13 176.236 0.00 . . . . . . A 5 SER C . 31070 1 26 . 1 . 1 5 5 SER CA C 13 62.798 0.02 . . . . . . A 5 SER CA . 31070 1 27 . 1 . 1 5 5 SER CB C 13 61.806 0.00 . . . . . . A 5 SER CB . 31070 1 28 . 1 . 1 5 5 SER N N 15 112.756 0.00 . . . . . . A 5 SER N . 31070 1 29 . 1 . 1 6 6 GLU H H 1 7.732 0.00 . . . . . . A 6 GLU H . 31070 1 30 . 1 . 1 6 6 GLU C C 13 179.620 0.00 . . . . . . A 6 GLU C . 31070 1 31 . 1 . 1 6 6 GLU CA C 13 59.821 0.03 . . . . . . A 6 GLU CA . 31070 1 32 . 1 . 1 6 6 GLU CB C 13 29.733 0.02 . . . . . . A 6 GLU CB . 31070 1 33 . 1 . 1 6 6 GLU N N 15 120.909 0.00 . . . . . . A 6 GLU N . 31070 1 34 . 1 . 1 7 7 ILE H H 1 8.356 0.00 . . . . . . A 7 ILE H . 31070 1 35 . 1 . 1 7 7 ILE HD11 H 1 0.644 0.00 . . . . . . A 7 ILE HD11 . 31070 1 36 . 1 . 1 7 7 ILE HD12 H 1 0.644 0.00 . . . . . . A 7 ILE HD12 . 31070 1 37 . 1 . 1 7 7 ILE HD13 H 1 0.644 0.00 . . . . . . A 7 ILE HD13 . 31070 1 38 . 1 . 1 7 7 ILE C C 13 178.608 0.03 . . . . . . A 7 ILE C . 31070 1 39 . 1 . 1 7 7 ILE CA C 13 65.609 0.01 . . . . . . A 7 ILE CA . 31070 1 40 . 1 . 1 7 7 ILE CB C 13 38.040 0.04 . . . . . . A 7 ILE CB . 31070 1 41 . 1 . 1 7 7 ILE CD1 C 13 14.436 0.00 . . . . . . A 7 ILE CD1 . 31070 1 42 . 1 . 1 7 7 ILE N N 15 121.102 0.00 . . . . . . A 7 ILE N . 31070 1 43 . 1 . 1 8 8 LEU H H 1 8.462 0.00 . . . . . . A 8 LEU H . 31070 1 44 . 1 . 1 8 8 LEU HD11 H 1 0.916 0.00 . . . . . . A 8 LEU HD11 . 31070 1 45 . 1 . 1 8 8 LEU HD12 H 1 0.916 0.00 . . . . . . A 8 LEU HD12 . 31070 1 46 . 1 . 1 8 8 LEU HD13 H 1 0.916 0.00 . . . . . . A 8 LEU HD13 . 31070 1 47 . 1 . 1 8 8 LEU HD21 H 1 0.979 0.00 . . . . . . A 8 LEU HD21 . 31070 1 48 . 1 . 1 8 8 LEU HD22 H 1 0.979 0.00 . . . . . . A 8 LEU HD22 . 31070 1 49 . 1 . 1 8 8 LEU HD23 H 1 0.979 0.00 . . . . . . A 8 LEU HD23 . 31070 1 50 . 1 . 1 8 8 LEU C C 13 180.487 0.01 . . . . . . A 8 LEU C . 31070 1 51 . 1 . 1 8 8 LEU CA C 13 58.988 0.01 . . . . . . A 8 LEU CA . 31070 1 52 . 1 . 1 8 8 LEU CB C 13 40.468 0.00 . . . . . . A 8 LEU CB . 31070 1 53 . 1 . 1 8 8 LEU CD1 C 13 26.768 0.00 . . . . . . A 8 LEU CD1 . 31070 1 54 . 1 . 1 8 8 LEU CD2 C 13 23.252 0.00 . . . . . . A 8 LEU CD2 . 31070 1 55 . 1 . 1 8 8 LEU N N 15 118.544 0.00 . . . . . . A 8 LEU N . 31070 1 56 . 1 . 1 9 9 ASP H H 1 8.403 0.00 . . . . . . A 9 ASP H . 31070 1 57 . 1 . 1 9 9 ASP C C 13 179.153 0.01 . . . . . . A 9 ASP C . 31070 1 58 . 1 . 1 9 9 ASP CA C 13 58.388 0.12 . . . . . . A 9 ASP CA . 31070 1 59 . 1 . 1 9 9 ASP CB C 13 40.314 0.08 . . . . . . A 9 ASP CB . 31070 1 60 . 1 . 1 9 9 ASP N N 15 122.885 0.00 . . . . . . A 9 ASP N . 31070 1 61 . 1 . 1 10 10 GLN H H 1 8.291 0.00 . . . . . . A 10 GLN H . 31070 1 62 . 1 . 1 10 10 GLN C C 13 179.297 0.02 . . . . . . A 10 GLN C . 31070 1 63 . 1 . 1 10 10 GLN CA C 13 59.590 0.03 . . . . . . A 10 GLN CA . 31070 1 64 . 1 . 1 10 10 GLN CB C 13 28.686 0.01 . . . . . . A 10 GLN CB . 31070 1 65 . 1 . 1 10 10 GLN N N 15 120.914 0.00 . . . . . . A 10 GLN N . 31070 1 66 . 1 . 1 11 11 MET H H 1 9.191 0.00 . . . . . . A 11 MET H . 31070 1 67 . 1 . 1 11 11 MET HE1 H 1 2.316 0.00 . . . . . . A 11 MET HE1 . 31070 1 68 . 1 . 1 11 11 MET HE2 H 1 2.316 0.00 . . . . . . A 11 MET HE2 . 31070 1 69 . 1 . 1 11 11 MET HE3 H 1 2.316 0.00 . . . . . . A 11 MET HE3 . 31070 1 70 . 1 . 1 11 11 MET C C 13 177.354 0.07 . . . . . . A 11 MET C . 31070 1 71 . 1 . 1 11 11 MET CA C 13 60.840 0.03 . . . . . . A 11 MET CA . 31070 1 72 . 1 . 1 11 11 MET CB C 13 33.703 0.05 . . . . . . A 11 MET CB . 31070 1 73 . 1 . 1 11 11 MET CE C 13 17.273 0.00 . . . . . . A 11 MET CE . 31070 1 74 . 1 . 1 11 11 MET N N 15 119.586 0.00 . . . . . . A 11 MET N . 31070 1 75 . 1 . 1 12 12 THR H H 1 8.217 0.00 . . . . . . A 12 THR H . 31070 1 76 . 1 . 1 12 12 THR HG21 H 1 1.189 0.00 . . . . . . A 12 THR HG21 . 31070 1 77 . 1 . 1 12 12 THR HG22 H 1 1.189 0.00 . . . . . . A 12 THR HG22 . 31070 1 78 . 1 . 1 12 12 THR HG23 H 1 1.189 0.00 . . . . . . A 12 THR HG23 . 31070 1 79 . 1 . 1 12 12 THR C C 13 175.488 0.04 . . . . . . A 12 THR C . 31070 1 80 . 1 . 1 12 12 THR CA C 13 68.584 0.06 . . . . . . A 12 THR CA . 31070 1 81 . 1 . 1 12 12 THR CB C 13 69.094 0.04 . . . . . . A 12 THR CB . 31070 1 82 . 1 . 1 12 12 THR CG2 C 13 21.254 0.00 . . . . . . A 12 THR CG2 . 31070 1 83 . 1 . 1 12 12 THR N N 15 115.686 0.00 . . . . . . A 12 THR N . 31070 1 84 . 1 . 1 13 13 THR H H 1 7.710 0.00 . . . . . . A 13 THR H . 31070 1 85 . 1 . 1 13 13 THR HG21 H 1 1.268 0.00 . . . . . . A 13 THR HG21 . 31070 1 86 . 1 . 1 13 13 THR HG22 H 1 1.268 0.00 . . . . . . A 13 THR HG22 . 31070 1 87 . 1 . 1 13 13 THR HG23 H 1 1.268 0.00 . . . . . . A 13 THR HG23 . 31070 1 88 . 1 . 1 13 13 THR C C 13 177.008 0.01 . . . . . . A 13 THR C . 31070 1 89 . 1 . 1 13 13 THR CA C 13 67.371 0.09 . . . . . . A 13 THR CA . 31070 1 90 . 1 . 1 13 13 THR CB C 13 69.075 0.05 . . . . . . A 13 THR CB . 31070 1 91 . 1 . 1 13 13 THR CG2 C 13 21.953 0.00 . . . . . . A 13 THR CG2 . 31070 1 92 . 1 . 1 13 13 THR N N 15 118.018 0.00 . . . . . . A 13 THR N . 31070 1 93 . 1 . 1 14 14 VAL H H 1 7.969 0.00 . . . . . . A 14 VAL H . 31070 1 94 . 1 . 1 14 14 VAL HG11 H 1 1.098 0.00 . . . . . . A 14 VAL HG11 . 31070 1 95 . 1 . 1 14 14 VAL HG12 H 1 1.098 0.00 . . . . . . A 14 VAL HG12 . 31070 1 96 . 1 . 1 14 14 VAL HG13 H 1 1.098 0.00 . . . . . . A 14 VAL HG13 . 31070 1 97 . 1 . 1 14 14 VAL HG21 H 1 0.993 0.00 . . . . . . A 14 VAL HG21 . 31070 1 98 . 1 . 1 14 14 VAL HG22 H 1 0.993 0.00 . . . . . . A 14 VAL HG22 . 31070 1 99 . 1 . 1 14 14 VAL HG23 H 1 0.993 0.00 . . . . . . A 14 VAL HG23 . 31070 1 100 . 1 . 1 14 14 VAL C C 13 178.262 0.00 . . . . . . A 14 VAL C . 31070 1 101 . 1 . 1 14 14 VAL CA C 13 66.946 0.01 . . . . . . A 14 VAL CA . 31070 1 102 . 1 . 1 14 14 VAL CB C 13 31.166 0.01 . . . . . . A 14 VAL CB . 31070 1 103 . 1 . 1 14 14 VAL CG1 C 13 23.901 0.00 . . . . . . A 14 VAL CG1 . 31070 1 104 . 1 . 1 14 14 VAL CG2 C 13 22.971 0.00 . . . . . . A 14 VAL CG2 . 31070 1 105 . 1 . 1 14 14 VAL N N 15 122.035 0.00 . . . . . . A 14 VAL N . 31070 1 106 . 1 . 1 15 15 LEU H H 1 8.471 0.00 . . . . . . A 15 LEU H . 31070 1 107 . 1 . 1 15 15 LEU HD11 H 1 0.785 0.00 . . . . . . A 15 LEU HD11 . 31070 1 108 . 1 . 1 15 15 LEU HD12 H 1 0.785 0.00 . . . . . . A 15 LEU HD12 . 31070 1 109 . 1 . 1 15 15 LEU HD13 H 1 0.785 0.00 . . . . . . A 15 LEU HD13 . 31070 1 110 . 1 . 1 15 15 LEU HD21 H 1 0.714 0.00 . . . . . . A 15 LEU HD21 . 31070 1 111 . 1 . 1 15 15 LEU HD22 H 1 0.714 0.00 . . . . . . A 15 LEU HD22 . 31070 1 112 . 1 . 1 15 15 LEU HD23 H 1 0.714 0.00 . . . . . . A 15 LEU HD23 . 31070 1 113 . 1 . 1 15 15 LEU C C 13 180.061 0.04 . . . . . . A 15 LEU C . 31070 1 114 . 1 . 1 15 15 LEU CA C 13 58.679 0.12 . . . . . . A 15 LEU CA . 31070 1 115 . 1 . 1 15 15 LEU CB C 13 40.853 0.02 . . . . . . A 15 LEU CB . 31070 1 116 . 1 . 1 15 15 LEU CD1 C 13 28.051 0.00 . . . . . . A 15 LEU CD1 . 31070 1 117 . 1 . 1 15 15 LEU CD2 C 13 23.236 0.00 . . . . . . A 15 LEU CD2 . 31070 1 118 . 1 . 1 15 15 LEU N N 15 118.953 0.00 . . . . . . A 15 LEU N . 31070 1 119 . 1 . 1 16 16 ASN H H 1 8.276 0.00 . . . . . . A 16 ASN H . 31070 1 120 . 1 . 1 16 16 ASN C C 13 178.234 0.02 . . . . . . A 16 ASN C . 31070 1 121 . 1 . 1 16 16 ASN CA C 13 56.559 0.03 . . . . . . A 16 ASN CA . 31070 1 122 . 1 . 1 16 16 ASN CB C 13 37.427 0.00 . . . . . . A 16 ASN CB . 31070 1 123 . 1 . 1 16 16 ASN N N 15 120.677 0.00 . . . . . . A 16 ASN N . 31070 1 124 . 1 . 1 17 17 ASP H H 1 8.523 0.00 . . . . . . A 17 ASP H . 31070 1 125 . 1 . 1 17 17 ASP C C 13 179.368 0.02 . . . . . . A 17 ASP C . 31070 1 126 . 1 . 1 17 17 ASP CA C 13 57.969 0.06 . . . . . . A 17 ASP CA . 31070 1 127 . 1 . 1 17 17 ASP CB C 13 40.195 0.00 . . . . . . A 17 ASP CB . 31070 1 128 . 1 . 1 17 17 ASP N N 15 123.827 0.00 . . . . . . A 17 ASP N . 31070 1 129 . 1 . 1 18 18 LEU H H 1 9.127 0.00 . . . . . . A 18 LEU H . 31070 1 130 . 1 . 1 18 18 LEU HD11 H 1 0.827 0.00 . . . . . . A 18 LEU HD11 . 31070 1 131 . 1 . 1 18 18 LEU HD12 H 1 0.827 0.00 . . . . . . A 18 LEU HD12 . 31070 1 132 . 1 . 1 18 18 LEU HD13 H 1 0.827 0.00 . . . . . . A 18 LEU HD13 . 31070 1 133 . 1 . 1 18 18 LEU HD21 H 1 1.095 0.00 . . . . . . A 18 LEU HD21 . 31070 1 134 . 1 . 1 18 18 LEU HD22 H 1 1.095 0.00 . . . . . . A 18 LEU HD22 . 31070 1 135 . 1 . 1 18 18 LEU HD23 H 1 1.095 0.00 . . . . . . A 18 LEU HD23 . 31070 1 136 . 1 . 1 18 18 LEU C C 13 178.144 0.02 . . . . . . A 18 LEU C . 31070 1 137 . 1 . 1 18 18 LEU CA C 13 57.721 0.09 . . . . . . A 18 LEU CA . 31070 1 138 . 1 . 1 18 18 LEU CB C 13 42.003 0.10 . . . . . . A 18 LEU CB . 31070 1 139 . 1 . 1 18 18 LEU CD1 C 13 26.696 0.00 . . . . . . A 18 LEU CD1 . 31070 1 140 . 1 . 1 18 18 LEU CD2 C 13 23.509 0.00 . . . . . . A 18 LEU CD2 . 31070 1 141 . 1 . 1 18 18 LEU N N 15 122.938 0.00 . . . . . . A 18 LEU N . 31070 1 142 . 1 . 1 19 19 LYS H H 1 8.004 0.00 . . . . . . A 19 LYS H . 31070 1 143 . 1 . 1 19 19 LYS C C 13 177.269 0.02 . . . . . . A 19 LYS C . 31070 1 144 . 1 . 1 19 19 LYS CA C 13 60.561 0.06 . . . . . . A 19 LYS CA . 31070 1 145 . 1 . 1 19 19 LYS CB C 13 31.500 0.00 . . . . . . A 19 LYS CB . 31070 1 146 . 1 . 1 19 19 LYS N N 15 122.119 0.00 . . . . . . A 19 LYS N . 31070 1 147 . 1 . 1 20 20 THR H H 1 7.683 0.00 . . . . . . A 20 THR H . 31070 1 148 . 1 . 1 20 20 THR HG21 H 1 1.286 0.00 . . . . . . A 20 THR HG21 . 31070 1 149 . 1 . 1 20 20 THR HG22 H 1 1.286 0.00 . . . . . . A 20 THR HG22 . 31070 1 150 . 1 . 1 20 20 THR HG23 H 1 1.286 0.00 . . . . . . A 20 THR HG23 . 31070 1 151 . 1 . 1 20 20 THR C C 13 177.692 0.00 . . . . . . A 20 THR C . 31070 1 152 . 1 . 1 20 20 THR CA C 13 66.963 0.04 . . . . . . A 20 THR CA . 31070 1 153 . 1 . 1 20 20 THR CB C 13 68.783 0.05 . . . . . . A 20 THR CB . 31070 1 154 . 1 . 1 20 20 THR CG2 C 13 22.276 0.00 . . . . . . A 20 THR CG2 . 31070 1 155 . 1 . 1 20 20 THR N N 15 115.155 0.00 . . . . . . A 20 THR N . 31070 1 156 . 1 . 1 21 21 VAL H H 1 7.929 0.00 . . . . . . A 21 VAL H . 31070 1 157 . 1 . 1 21 21 VAL HG11 H 1 1.076 0.00 . . . . . . A 21 VAL HG11 . 31070 1 158 . 1 . 1 21 21 VAL HG12 H 1 1.076 0.00 . . . . . . A 21 VAL HG12 . 31070 1 159 . 1 . 1 21 21 VAL HG13 H 1 1.076 0.00 . . . . . . A 21 VAL HG13 . 31070 1 160 . 1 . 1 21 21 VAL HG21 H 1 0.960 0.00 . . . . . . A 21 VAL HG21 . 31070 1 161 . 1 . 1 21 21 VAL HG22 H 1 0.960 0.00 . . . . . . A 21 VAL HG22 . 31070 1 162 . 1 . 1 21 21 VAL HG23 H 1 0.960 0.00 . . . . . . A 21 VAL HG23 . 31070 1 163 . 1 . 1 21 21 VAL C C 13 177.414 0.01 . . . . . . A 21 VAL C . 31070 1 164 . 1 . 1 21 21 VAL CA C 13 66.468 0.04 . . . . . . A 21 VAL CA . 31070 1 165 . 1 . 1 21 21 VAL CB C 13 31.611 0.05 . . . . . . A 21 VAL CB . 31070 1 166 . 1 . 1 21 21 VAL CG1 C 13 24.121 0.00 . . . . . . A 21 VAL CG1 . 31070 1 167 . 1 . 1 21 21 VAL CG2 C 13 22.035 0.00 . . . . . . A 21 VAL CG2 . 31070 1 168 . 1 . 1 21 21 VAL N N 15 122.191 0.00 . . . . . . A 21 VAL N . 31070 1 169 . 1 . 1 22 22 MET H H 1 8.893 0.00 . . . . . . A 22 MET H . 31070 1 170 . 1 . 1 22 22 MET HE1 H 1 1.990 0.00 . . . . . . A 22 MET HE1 . 31070 1 171 . 1 . 1 22 22 MET HE2 H 1 1.990 0.00 . . . . . . A 22 MET HE2 . 31070 1 172 . 1 . 1 22 22 MET HE3 H 1 1.990 0.00 . . . . . . A 22 MET HE3 . 31070 1 173 . 1 . 1 22 22 MET C C 13 179.471 0.03 . . . . . . A 22 MET C . 31070 1 174 . 1 . 1 22 22 MET CA C 13 60.227 0.06 . . . . . . A 22 MET CA . 31070 1 175 . 1 . 1 22 22 MET CB C 13 32.458 0.01 . . . . . . A 22 MET CB . 31070 1 176 . 1 . 1 22 22 MET CE C 13 18.005 0.00 . . . . . . A 22 MET CE . 31070 1 177 . 1 . 1 22 22 MET N N 15 120.122 0.00 . . . . . . A 22 MET N . 31070 1 178 . 1 . 1 23 23 ASP H H 1 8.993 0.00 . . . . . . A 23 ASP H . 31070 1 179 . 1 . 1 23 23 ASP C C 13 179.138 0.07 . . . . . . A 23 ASP C . 31070 1 180 . 1 . 1 23 23 ASP CA C 13 57.886 0.04 . . . . . . A 23 ASP CA . 31070 1 181 . 1 . 1 23 23 ASP CB C 13 39.989 0.01 . . . . . . A 23 ASP CB . 31070 1 182 . 1 . 1 23 23 ASP N N 15 123.513 0.00 . . . . . . A 23 ASP N . 31070 1 183 . 1 . 1 24 24 ALA H H 1 7.732 0.00 . . . . . . A 24 ALA H . 31070 1 184 . 1 . 1 24 24 ALA HB1 H 1 1.569 0.00 . . . . . . A 24 ALA HB1 . 31070 1 185 . 1 . 1 24 24 ALA HB2 H 1 1.569 0.00 . . . . . . A 24 ALA HB2 . 31070 1 186 . 1 . 1 24 24 ALA HB3 H 1 1.569 0.00 . . . . . . A 24 ALA HB3 . 31070 1 187 . 1 . 1 24 24 ALA C C 13 180.109 0.01 . . . . . . A 24 ALA C . 31070 1 188 . 1 . 1 24 24 ALA CA C 13 55.654 0.08 . . . . . . A 24 ALA CA . 31070 1 189 . 1 . 1 24 24 ALA CB C 13 17.350 0.03 . . . . . . A 24 ALA CB . 31070 1 190 . 1 . 1 24 24 ALA N N 15 124.991 0.00 . . . . . . A 24 ALA N . 31070 1 191 . 1 . 1 25 25 GLU H H 1 8.819 0.00 . . . . . . A 25 GLU H . 31070 1 192 . 1 . 1 25 25 GLU C C 13 176.789 0.01 . . . . . . A 25 GLU C . 31070 1 193 . 1 . 1 25 25 GLU CA C 13 60.785 0.06 . . . . . . A 25 GLU CA . 31070 1 194 . 1 . 1 25 25 GLU CB C 13 30.809 0.02 . . . . . . A 25 GLU CB . 31070 1 195 . 1 . 1 25 25 GLU N N 15 120.792 0.00 . . . . . . A 25 GLU N . 31070 1 196 . 1 . 1 26 26 GLN H H 1 8.124 0.00 . . . . . . A 26 GLN H . 31070 1 197 . 1 . 1 26 26 GLN C C 13 179.257 0.02 . . . . . . A 26 GLN C . 31070 1 198 . 1 . 1 26 26 GLN CA C 13 60.757 0.02 . . . . . . A 26 GLN CA . 31070 1 199 . 1 . 1 26 26 GLN CB C 13 29.274 0.02 . . . . . . A 26 GLN CB . 31070 1 200 . 1 . 1 26 26 GLN N N 15 118.704 0.00 . . . . . . A 26 GLN N . 31070 1 201 . 1 . 1 27 27 GLN H H 1 8.070 0.00 . . . . . . A 27 GLN H . 31070 1 202 . 1 . 1 27 27 GLN C C 13 179.676 0.01 . . . . . . A 27 GLN C . 31070 1 203 . 1 . 1 27 27 GLN CA C 13 59.415 0.03 . . . . . . A 27 GLN CA . 31070 1 204 . 1 . 1 27 27 GLN CB C 13 28.034 0.10 . . . . . . A 27 GLN CB . 31070 1 205 . 1 . 1 27 27 GLN N N 15 118.869 0.00 . . . . . . A 27 GLN N . 31070 1 206 . 1 . 1 28 28 GLN H H 1 8.338 0.00 . . . . . . A 28 GLN H . 31070 1 207 . 1 . 1 28 28 GLN C C 13 177.821 0.01 . . . . . . A 28 GLN C . 31070 1 208 . 1 . 1 28 28 GLN CA C 13 57.920 0.05 . . . . . . A 28 GLN CA . 31070 1 209 . 1 . 1 28 28 GLN CB C 13 28.090 0.06 . . . . . . A 28 GLN CB . 31070 1 210 . 1 . 1 28 28 GLN N N 15 116.461 0.00 . . . . . . A 28 GLN N . 31070 1 211 . 1 . 1 29 29 LEU H H 1 7.924 0.00 . . . . . . A 29 LEU H . 31070 1 212 . 1 . 1 29 29 LEU HD11 H 1 0.802 0.00 . . . . . . A 29 LEU HD11 . 31070 1 213 . 1 . 1 29 29 LEU HD12 H 1 0.802 0.00 . . . . . . A 29 LEU HD12 . 31070 1 214 . 1 . 1 29 29 LEU HD13 H 1 0.802 0.00 . . . . . . A 29 LEU HD13 . 31070 1 215 . 1 . 1 29 29 LEU HD21 H 1 0.739 0.00 . . . . . . A 29 LEU HD21 . 31070 1 216 . 1 . 1 29 29 LEU HD22 H 1 0.739 0.00 . . . . . . A 29 LEU HD22 . 31070 1 217 . 1 . 1 29 29 LEU HD23 H 1 0.739 0.00 . . . . . . A 29 LEU HD23 . 31070 1 218 . 1 . 1 29 29 LEU C C 13 178.147 0.03 . . . . . . A 29 LEU C . 31070 1 219 . 1 . 1 29 29 LEU CA C 13 55.998 0.05 . . . . . . A 29 LEU CA . 31070 1 220 . 1 . 1 29 29 LEU CB C 13 43.615 0.03 . . . . . . A 29 LEU CB . 31070 1 221 . 1 . 1 29 29 LEU CD1 C 13 26.898 0.00 . . . . . . A 29 LEU CD1 . 31070 1 222 . 1 . 1 29 29 LEU CD2 C 13 22.819 0.00 . . . . . . A 29 LEU CD2 . 31070 1 223 . 1 . 1 29 29 LEU N N 15 115.973 0.00 . . . . . . A 29 LEU N . 31070 1 224 . 1 . 1 30 30 SER H H 1 7.750 0.00 . . . . . . A 30 SER H . 31070 1 225 . 1 . 1 30 30 SER C C 13 174.253 0.01 . . . . . . A 30 SER C . 31070 1 226 . 1 . 1 30 30 SER CA C 13 60.306 0.06 . . . . . . A 30 SER CA . 31070 1 227 . 1 . 1 30 30 SER CB C 13 63.915 0.01 . . . . . . A 30 SER CB . 31070 1 228 . 1 . 1 30 30 SER N N 15 114.317 0.00 . . . . . . A 30 SER N . 31070 1 229 . 1 . 1 31 31 VAL H H 1 6.980 0.00 . . . . . . A 31 VAL H . 31070 1 230 . 1 . 1 31 31 VAL HG11 H 1 0.979 0.00 . . . . . . A 31 VAL HG11 . 31070 1 231 . 1 . 1 31 31 VAL HG12 H 1 0.979 0.00 . . . . . . A 31 VAL HG12 . 31070 1 232 . 1 . 1 31 31 VAL HG13 H 1 0.979 0.00 . . . . . . A 31 VAL HG13 . 31070 1 233 . 1 . 1 31 31 VAL HG21 H 1 0.900 0.00 . . . . . . A 31 VAL HG21 . 31070 1 234 . 1 . 1 31 31 VAL HG22 H 1 0.900 0.00 . . . . . . A 31 VAL HG22 . 31070 1 235 . 1 . 1 31 31 VAL HG23 H 1 0.900 0.00 . . . . . . A 31 VAL HG23 . 31070 1 236 . 1 . 1 31 31 VAL C C 13 176.108 0.04 . . . . . . A 31 VAL C . 31070 1 237 . 1 . 1 31 31 VAL CA C 13 61.686 0.02 . . . . . . A 31 VAL CA . 31070 1 238 . 1 . 1 31 31 VAL CB C 13 32.820 0.02 . . . . . . A 31 VAL CB . 31070 1 239 . 1 . 1 31 31 VAL CG1 C 13 21.395 0.00 . . . . . . A 31 VAL CG1 . 31070 1 240 . 1 . 1 31 31 VAL CG2 C 13 19.304 0.00 . . . . . . A 31 VAL CG2 . 31070 1 241 . 1 . 1 31 31 VAL N N 15 114.773 0.00 . . . . . . A 31 VAL N . 31070 1 242 . 1 . 1 32 32 GLY H H 1 8.163 0.00 . . . . . . A 32 GLY H . 31070 1 243 . 1 . 1 32 32 GLY C C 13 174.086 0.00 . . . . . . A 32 GLY C . 31070 1 244 . 1 . 1 32 32 GLY CA C 13 46.534 0.03 . . . . . . A 32 GLY CA . 31070 1 245 . 1 . 1 32 32 GLY N N 15 107.857 0.00 . . . . . . A 32 GLY N . 31070 1 246 . 1 . 1 33 33 GLN H H 1 7.530 0.00 . . . . . . A 33 GLN H . 31070 1 247 . 1 . 1 33 33 GLN C C 13 174.938 0.02 . . . . . . A 33 GLN C . 31070 1 248 . 1 . 1 33 33 GLN CA C 13 54.885 0.00 . . . . . . A 33 GLN CA . 31070 1 249 . 1 . 1 33 33 GLN CB C 13 29.716 0.01 . . . . . . A 33 GLN CB . 31070 1 250 . 1 . 1 33 33 GLN N N 15 119.648 0.00 . . . . . . A 33 GLN N . 31070 1 251 . 1 . 1 34 34 ILE H H 1 8.287 0.00 . . . . . . A 34 ILE H . 31070 1 252 . 1 . 1 34 34 ILE HD11 H 1 0.691 0.00 . . . . . . A 34 ILE HD11 . 31070 1 253 . 1 . 1 34 34 ILE HD12 H 1 0.691 0.00 . . . . . . A 34 ILE HD12 . 31070 1 254 . 1 . 1 34 34 ILE HD13 H 1 0.691 0.00 . . . . . . A 34 ILE HD13 . 31070 1 255 . 1 . 1 34 34 ILE C C 13 175.198 0.00 . . . . . . A 34 ILE C . 31070 1 256 . 1 . 1 34 34 ILE CA C 13 61.584 0.03 . . . . . . A 34 ILE CA . 31070 1 257 . 1 . 1 34 34 ILE CB C 13 38.294 0.02 . . . . . . A 34 ILE CB . 31070 1 258 . 1 . 1 34 34 ILE CD1 C 13 12.673 0.00 . . . . . . A 34 ILE CD1 . 31070 1 259 . 1 . 1 34 34 ILE N N 15 121.148 0.00 . . . . . . A 34 ILE N . 31070 1 260 . 1 . 1 35 35 ASN H H 1 8.896 0.00 . . . . . . A 35 ASN H . 31070 1 261 . 1 . 1 35 35 ASN C C 13 175.487 0.02 . . . . . . A 35 ASN C . 31070 1 262 . 1 . 1 35 35 ASN CA C 13 52.267 0.02 . . . . . . A 35 ASN CA . 31070 1 263 . 1 . 1 35 35 ASN CB C 13 38.827 0.12 . . . . . . A 35 ASN CB . 31070 1 264 . 1 . 1 35 35 ASN N N 15 123.499 0.00 . . . . . . A 35 ASN N . 31070 1 265 . 1 . 1 36 36 GLY H H 1 8.882 0.00 . . . . . . A 36 GLY H . 31070 1 266 . 1 . 1 36 36 GLY C C 13 173.994 0.00 . . . . . . A 36 GLY C . 31070 1 267 . 1 . 1 36 36 GLY CA C 13 47.696 0.11 . . . . . . A 36 GLY CA . 31070 1 268 . 1 . 1 36 36 GLY N N 15 112.511 0.00 . . . . . . A 36 GLY N . 31070 1 269 . 1 . 1 37 37 SER C C 13 177.429 0.00 . . . . . . A 37 SER C . 31070 1 270 . 1 . 1 37 37 SER CA C 13 61.677 0.00 . . . . . . A 37 SER CA . 31070 1 271 . 1 . 1 37 37 SER CB C 13 62.671 0.00 . . . . . . A 37 SER CB . 31070 1 272 . 1 . 1 38 38 GLN H H 1 7.753 0.00 . . . . . . A 38 GLN H . 31070 1 273 . 1 . 1 38 38 GLN C C 13 178.776 0.03 . . . . . . A 38 GLN C . 31070 1 274 . 1 . 1 38 38 GLN CA C 13 58.407 0.07 . . . . . . A 38 GLN CA . 31070 1 275 . 1 . 1 38 38 GLN CB C 13 28.178 0.05 . . . . . . A 38 GLN CB . 31070 1 276 . 1 . 1 38 38 GLN N N 15 120.723 0.00 . . . . . . A 38 GLN N . 31070 1 277 . 1 . 1 39 39 LEU H H 1 8.138 0.00 . . . . . . A 39 LEU H . 31070 1 278 . 1 . 1 39 39 LEU HD11 H 1 0.821 0.00 . . . . . . A 39 LEU HD11 . 31070 1 279 . 1 . 1 39 39 LEU HD12 H 1 0.821 0.00 . . . . . . A 39 LEU HD12 . 31070 1 280 . 1 . 1 39 39 LEU HD13 H 1 0.821 0.00 . . . . . . A 39 LEU HD13 . 31070 1 281 . 1 . 1 39 39 LEU HD21 H 1 0.786 0.00 . . . . . . A 39 LEU HD21 . 31070 1 282 . 1 . 1 39 39 LEU HD22 H 1 0.786 0.00 . . . . . . A 39 LEU HD22 . 31070 1 283 . 1 . 1 39 39 LEU HD23 H 1 0.786 0.00 . . . . . . A 39 LEU HD23 . 31070 1 284 . 1 . 1 39 39 LEU C C 13 179.395 0.02 . . . . . . A 39 LEU C . 31070 1 285 . 1 . 1 39 39 LEU CA C 13 58.343 0.03 . . . . . . A 39 LEU CA . 31070 1 286 . 1 . 1 39 39 LEU CB C 13 40.868 0.03 . . . . . . A 39 LEU CB . 31070 1 287 . 1 . 1 39 39 LEU CD1 C 13 25.747 0.00 . . . . . . A 39 LEU CD1 . 31070 1 288 . 1 . 1 39 39 LEU CD2 C 13 23.158 0.00 . . . . . . A 39 LEU CD2 . 31070 1 289 . 1 . 1 39 39 LEU N N 15 118.568 0.00 . . . . . . A 39 LEU N . 31070 1 290 . 1 . 1 40 40 GLN H H 1 8.559 0.00 . . . . . . A 40 GLN H . 31070 1 291 . 1 . 1 40 40 GLN C C 13 177.727 0.01 . . . . . . A 40 GLN C . 31070 1 292 . 1 . 1 40 40 GLN CA C 13 59.680 0.03 . . . . . . A 40 GLN CA . 31070 1 293 . 1 . 1 40 40 GLN CB C 13 28.130 0.01 . . . . . . A 40 GLN CB . 31070 1 294 . 1 . 1 40 40 GLN N N 15 120.874 0.00 . . . . . . A 40 GLN N . 31070 1 295 . 1 . 1 41 41 ARG H H 1 7.333 0.00 . . . . . . A 41 ARG H . 31070 1 296 . 1 . 1 41 41 ARG C C 13 179.027 0.01 . . . . . . A 41 ARG C . 31070 1 297 . 1 . 1 41 41 ARG CA C 13 59.471 0.04 . . . . . . A 41 ARG CA . 31070 1 298 . 1 . 1 41 41 ARG CB C 13 29.359 0.08 . . . . . . A 41 ARG CB . 31070 1 299 . 1 . 1 41 41 ARG N N 15 118.877 0.00 . . . . . . A 41 ARG N . 31070 1 300 . 1 . 1 42 42 ILE H H 1 7.995 0.00 . . . . . . A 42 ILE H . 31070 1 301 . 1 . 1 42 42 ILE HD11 H 1 0.722 0.00 . . . . . . A 42 ILE HD11 . 31070 1 302 . 1 . 1 42 42 ILE HD12 H 1 0.722 0.00 . . . . . . A 42 ILE HD12 . 31070 1 303 . 1 . 1 42 42 ILE HD13 H 1 0.722 0.00 . . . . . . A 42 ILE HD13 . 31070 1 304 . 1 . 1 42 42 ILE C C 13 177.291 0.04 . . . . . . A 42 ILE C . 31070 1 305 . 1 . 1 42 42 ILE CA C 13 65.393 0.06 . . . . . . A 42 ILE CA . 31070 1 306 . 1 . 1 42 42 ILE CB C 13 38.444 0.04 . . . . . . A 42 ILE CB . 31070 1 307 . 1 . 1 42 42 ILE CD1 C 13 14.303 0.00 . . . . . . A 42 ILE CD1 . 31070 1 308 . 1 . 1 42 42 ILE N N 15 120.265 0.00 . . . . . . A 42 ILE N . 31070 1 309 . 1 . 1 43 43 THR H H 1 8.205 0.00 . . . . . . A 43 THR H . 31070 1 310 . 1 . 1 43 43 THR HG21 H 1 1.250 0.00 . . . . . . A 43 THR HG21 . 31070 1 311 . 1 . 1 43 43 THR HG22 H 1 1.250 0.00 . . . . . . A 43 THR HG22 . 31070 1 312 . 1 . 1 43 43 THR HG23 H 1 1.250 0.00 . . . . . . A 43 THR HG23 . 31070 1 313 . 1 . 1 43 43 THR C C 13 175.648 0.00 . . . . . . A 43 THR C . 31070 1 314 . 1 . 1 43 43 THR CA C 13 66.928 0.07 . . . . . . A 43 THR CA . 31070 1 315 . 1 . 1 43 43 THR CB C 13 69.114 0.12 . . . . . . A 43 THR CB . 31070 1 316 . 1 . 1 43 43 THR CG2 C 13 20.887 0.00 . . . . . . A 43 THR CG2 . 31070 1 317 . 1 . 1 43 43 THR N N 15 115.654 0.00 . . . . . . A 43 THR N . 31070 1 318 . 1 . 1 44 44 GLU H H 1 7.971 0.00 . . . . . . A 44 GLU H . 31070 1 319 . 1 . 1 44 44 GLU C C 13 179.534 0.00 . . . . . . A 44 GLU C . 31070 1 320 . 1 . 1 44 44 GLU CA C 13 59.819 0.00 . . . . . . A 44 GLU CA . 31070 1 321 . 1 . 1 44 44 GLU CB C 13 29.376 0.03 . . . . . . A 44 GLU CB . 31070 1 322 . 1 . 1 44 44 GLU N N 15 122.799 0.00 . . . . . . A 44 GLU N . 31070 1 323 . 1 . 1 45 45 GLU H H 1 8.270 0.00 . . . . . . A 45 GLU H . 31070 1 324 . 1 . 1 45 45 GLU C C 13 178.732 0.03 . . . . . . A 45 GLU C . 31070 1 325 . 1 . 1 45 45 GLU CA C 13 60.012 0.01 . . . . . . A 45 GLU CA . 31070 1 326 . 1 . 1 45 45 GLU CB C 13 29.549 0.00 . . . . . . A 45 GLU CB . 31070 1 327 . 1 . 1 45 45 GLU N N 15 121.689 0.00 . . . . . . A 45 GLU N . 31070 1 328 . 1 . 1 46 46 LYS H H 1 8.937 0.00 . . . . . . A 46 LYS H . 31070 1 329 . 1 . 1 46 46 LYS C C 13 177.898 0.02 . . . . . . A 46 LYS C . 31070 1 330 . 1 . 1 46 46 LYS CA C 13 61.011 0.05 . . . . . . A 46 LYS CA . 31070 1 331 . 1 . 1 46 46 LYS CB C 13 33.474 0.00 . . . . . . A 46 LYS CB . 31070 1 332 . 1 . 1 46 46 LYS N N 15 120.342 0.00 . . . . . . A 46 LYS N . 31070 1 333 . 1 . 1 47 47 SER H H 1 8.138 0.00 . . . . . . A 47 SER H . 31070 1 334 . 1 . 1 47 47 SER C C 13 177.820 0.04 . . . . . . A 47 SER C . 31070 1 335 . 1 . 1 47 47 SER CA C 13 61.907 0.01 . . . . . . A 47 SER CA . 31070 1 336 . 1 . 1 47 47 SER CB C 13 63.115 0.11 . . . . . . A 47 SER CB . 31070 1 337 . 1 . 1 47 47 SER N N 15 111.632 0.00 . . . . . . A 47 SER N . 31070 1 338 . 1 . 1 48 48 SER H H 1 8.209 0.00 . . . . . . A 48 SER H . 31070 1 339 . 1 . 1 48 48 SER C C 13 177.748 0.01 . . . . . . A 48 SER C . 31070 1 340 . 1 . 1 48 48 SER CA C 13 61.895 0.01 . . . . . . A 48 SER CA . 31070 1 341 . 1 . 1 48 48 SER CB C 13 62.935 0.02 . . . . . . A 48 SER CB . 31070 1 342 . 1 . 1 48 48 SER N N 15 118.377 0.00 . . . . . . A 48 SER N . 31070 1 343 . 1 . 1 49 49 LEU H H 1 8.472 0.00 . . . . . . A 49 LEU H . 31070 1 344 . 1 . 1 49 49 LEU C C 13 179.663 0.04 . . . . . . A 49 LEU C . 31070 1 345 . 1 . 1 49 49 LEU CA C 13 58.489 0.05 . . . . . . A 49 LEU CA . 31070 1 346 . 1 . 1 49 49 LEU CB C 13 42.433 0.10 . . . . . . A 49 LEU CB . 31070 1 347 . 1 . 1 49 49 LEU N N 15 123.235 0.00 . . . . . . A 49 LEU N . 31070 1 348 . 1 . 1 50 50 LEU H H 1 8.246 0.00 . . . . . . A 50 LEU H . 31070 1 349 . 1 . 1 50 50 LEU HD11 H 1 0.821 0.00 . . . . . . A 50 LEU HD11 . 31070 1 350 . 1 . 1 50 50 LEU HD12 H 1 0.821 0.00 . . . . . . A 50 LEU HD12 . 31070 1 351 . 1 . 1 50 50 LEU HD13 H 1 0.821 0.00 . . . . . . A 50 LEU HD13 . 31070 1 352 . 1 . 1 50 50 LEU HD21 H 1 0.722 0.00 . . . . . . A 50 LEU HD21 . 31070 1 353 . 1 . 1 50 50 LEU HD22 H 1 0.722 0.00 . . . . . . A 50 LEU HD22 . 31070 1 354 . 1 . 1 50 50 LEU HD23 H 1 0.722 0.00 . . . . . . A 50 LEU HD23 . 31070 1 355 . 1 . 1 50 50 LEU C C 13 179.620 0.01 . . . . . . A 50 LEU C . 31070 1 356 . 1 . 1 50 50 LEU CA C 13 58.466 0.00 . . . . . . A 50 LEU CA . 31070 1 357 . 1 . 1 50 50 LEU CB C 13 39.919 0.05 . . . . . . A 50 LEU CB . 31070 1 358 . 1 . 1 50 50 LEU CD1 C 13 26.400 0.00 . . . . . . A 50 LEU CD1 . 31070 1 359 . 1 . 1 50 50 LEU CD2 C 13 22.124 0.00 . . . . . . A 50 LEU CD2 . 31070 1 360 . 1 . 1 50 50 LEU N N 15 119.004 0.00 . . . . . . A 50 LEU N . 31070 1 361 . 1 . 1 51 51 ALA H H 1 8.022 0.00 . . . . . . A 51 ALA H . 31070 1 362 . 1 . 1 51 51 ALA HB1 H 1 1.580 0.00 . . . . . . A 51 ALA HB1 . 31070 1 363 . 1 . 1 51 51 ALA HB2 H 1 1.580 0.00 . . . . . . A 51 ALA HB2 . 31070 1 364 . 1 . 1 51 51 ALA HB3 H 1 1.580 0.00 . . . . . . A 51 ALA HB3 . 31070 1 365 . 1 . 1 51 51 ALA C C 13 181.500 0.03 . . . . . . A 51 ALA C . 31070 1 366 . 1 . 1 51 51 ALA CA C 13 55.604 0.05 . . . . . . A 51 ALA CA . 31070 1 367 . 1 . 1 51 51 ALA CB C 13 17.433 0.03 . . . . . . A 51 ALA CB . 31070 1 368 . 1 . 1 51 51 ALA N N 15 123.686 0.00 . . . . . . A 51 ALA N . 31070 1 369 . 1 . 1 52 52 THR H H 1 8.203 0.00 . . . . . . A 52 THR H . 31070 1 370 . 1 . 1 52 52 THR HG21 H 1 1.309 0.00 . . . . . . A 52 THR HG21 . 31070 1 371 . 1 . 1 52 52 THR HG22 H 1 1.309 0.00 . . . . . . A 52 THR HG22 . 31070 1 372 . 1 . 1 52 52 THR HG23 H 1 1.309 0.00 . . . . . . A 52 THR HG23 . 31070 1 373 . 1 . 1 52 52 THR C C 13 175.937 0.00 . . . . . . A 52 THR C . 31070 1 374 . 1 . 1 52 52 THR CA C 13 67.251 0.01 . . . . . . A 52 THR CA . 31070 1 375 . 1 . 1 52 52 THR CB C 13 68.543 0.01 . . . . . . A 52 THR CB . 31070 1 376 . 1 . 1 52 52 THR CG2 C 13 22.362 0.00 . . . . . . A 52 THR CG2 . 31070 1 377 . 1 . 1 52 52 THR N N 15 119.153 0.00 . . . . . . A 52 THR N . 31070 1 378 . 1 . 1 53 53 LEU H H 1 8.701 0.00 . . . . . . A 53 LEU H . 31070 1 379 . 1 . 1 53 53 LEU HD11 H 1 0.771 0.00 . . . . . . A 53 LEU HD11 . 31070 1 380 . 1 . 1 53 53 LEU HD12 H 1 0.771 0.00 . . . . . . A 53 LEU HD12 . 31070 1 381 . 1 . 1 53 53 LEU HD13 H 1 0.771 0.00 . . . . . . A 53 LEU HD13 . 31070 1 382 . 1 . 1 53 53 LEU HD21 H 1 0.923 0.00 . . . . . . A 53 LEU HD21 . 31070 1 383 . 1 . 1 53 53 LEU HD22 H 1 0.923 0.00 . . . . . . A 53 LEU HD22 . 31070 1 384 . 1 . 1 53 53 LEU HD23 H 1 0.923 0.00 . . . . . . A 53 LEU HD23 . 31070 1 385 . 1 . 1 53 53 LEU C C 13 177.432 0.01 . . . . . . A 53 LEU C . 31070 1 386 . 1 . 1 53 53 LEU CA C 13 58.614 0.00 . . . . . . A 53 LEU CA . 31070 1 387 . 1 . 1 53 53 LEU CB C 13 41.446 0.02 . . . . . . A 53 LEU CB . 31070 1 388 . 1 . 1 53 53 LEU CD1 C 13 25.867 0.00 . . . . . . A 53 LEU CD1 . 31070 1 389 . 1 . 1 53 53 LEU CD2 C 13 23.029 0.00 . . . . . . A 53 LEU CD2 . 31070 1 390 . 1 . 1 53 53 LEU N N 15 122.484 0.00 . . . . . . A 53 LEU N . 31070 1 391 . 1 . 1 54 54 ASP H H 1 7.971 0.00 . . . . . . A 54 ASP H . 31070 1 392 . 1 . 1 54 54 ASP C C 13 177.890 0.06 . . . . . . A 54 ASP C . 31070 1 393 . 1 . 1 54 54 ASP CA C 13 57.787 0.02 . . . . . . A 54 ASP CA . 31070 1 394 . 1 . 1 54 54 ASP CB C 13 42.044 0.11 . . . . . . A 54 ASP CB . 31070 1 395 . 1 . 1 54 54 ASP N N 15 117.453 0.00 . . . . . . A 54 ASP N . 31070 1 396 . 1 . 1 55 55 TYR H H 1 7.713 0.00 . . . . . . A 55 TYR H . 31070 1 397 . 1 . 1 55 55 TYR HD1 H 1 7.131 0.00 . . . . . . A 55 TYR HD1 . 31070 1 398 . 1 . 1 55 55 TYR HD2 H 1 7.131 0.00 . . . . . . A 55 TYR HD2 . 31070 1 399 . 1 . 1 55 55 TYR HE1 H 1 6.777 0.00 . . . . . . A 55 TYR HE1 . 31070 1 400 . 1 . 1 55 55 TYR HE2 H 1 6.777 0.00 . . . . . . A 55 TYR HE2 . 31070 1 401 . 1 . 1 55 55 TYR C C 13 178.403 0.01 . . . . . . A 55 TYR C . 31070 1 402 . 1 . 1 55 55 TYR CA C 13 61.664 0.02 . . . . . . A 55 TYR CA . 31070 1 403 . 1 . 1 55 55 TYR CB C 13 37.843 0.00 . . . . . . A 55 TYR CB . 31070 1 404 . 1 . 1 55 55 TYR CD1 C 13 133.388 0.00 . . . . . . A 55 TYR CD1 . 31070 1 405 . 1 . 1 55 55 TYR CD2 C 13 133.388 0.00 . . . . . . A 55 TYR CD2 . 31070 1 406 . 1 . 1 55 55 TYR CE1 C 13 118.213 0.00 . . . . . . A 55 TYR CE1 . 31070 1 407 . 1 . 1 55 55 TYR CE2 C 13 118.213 0.00 . . . . . . A 55 TYR CE2 . 31070 1 408 . 1 . 1 55 55 TYR N N 15 119.270 0.00 . . . . . . A 55 TYR N . 31070 1 409 . 1 . 1 56 56 LEU H H 1 8.543 0.00 . . . . . . A 56 LEU H . 31070 1 410 . 1 . 1 56 56 LEU HD11 H 1 0.843 0.00 . . . . . . A 56 LEU HD11 . 31070 1 411 . 1 . 1 56 56 LEU HD12 H 1 0.843 0.00 . . . . . . A 56 LEU HD12 . 31070 1 412 . 1 . 1 56 56 LEU HD13 H 1 0.843 0.00 . . . . . . A 56 LEU HD13 . 31070 1 413 . 1 . 1 56 56 LEU HD21 H 1 0.973 0.00 . . . . . . A 56 LEU HD21 . 31070 1 414 . 1 . 1 56 56 LEU HD22 H 1 0.973 0.00 . . . . . . A 56 LEU HD22 . 31070 1 415 . 1 . 1 56 56 LEU HD23 H 1 0.973 0.00 . . . . . . A 56 LEU HD23 . 31070 1 416 . 1 . 1 56 56 LEU C C 13 178.314 0.02 . . . . . . A 56 LEU C . 31070 1 417 . 1 . 1 56 56 LEU CA C 13 58.096 0.04 . . . . . . A 56 LEU CA . 31070 1 418 . 1 . 1 56 56 LEU CB C 13 42.697 0.09 . . . . . . A 56 LEU CB . 31070 1 419 . 1 . 1 56 56 LEU CD1 C 13 26.934 0.00 . . . . . . A 56 LEU CD1 . 31070 1 420 . 1 . 1 56 56 LEU CD2 C 13 22.308 0.00 . . . . . . A 56 LEU CD2 . 31070 1 421 . 1 . 1 56 56 LEU N N 15 119.685 0.00 . . . . . . A 56 LEU N . 31070 1 422 . 1 . 1 57 57 GLU H H 1 8.748 0.00 . . . . . . A 57 GLU H . 31070 1 423 . 1 . 1 57 57 GLU C C 13 179.076 0.02 . . . . . . A 57 GLU C . 31070 1 424 . 1 . 1 57 57 GLU CA C 13 58.033 0.02 . . . . . . A 57 GLU CA . 31070 1 425 . 1 . 1 57 57 GLU CB C 13 28.270 0.00 . . . . . . A 57 GLU CB . 31070 1 426 . 1 . 1 57 57 GLU N N 15 121.800 0.00 . . . . . . A 57 GLU N . 31070 1 427 . 1 . 1 58 58 GLN H H 1 8.081 0.00 . . . . . . A 58 GLN H . 31070 1 428 . 1 . 1 58 58 GLN C C 13 179.997 0.02 . . . . . . A 58 GLN C . 31070 1 429 . 1 . 1 58 58 GLN CA C 13 59.332 0.12 . . . . . . A 58 GLN CA . 31070 1 430 . 1 . 1 58 58 GLN CB C 13 27.470 0.05 . . . . . . A 58 GLN CB . 31070 1 431 . 1 . 1 58 58 GLN N N 15 118.018 0.00 . . . . . . A 58 GLN N . 31070 1 432 . 1 . 1 59 59 GLN H H 1 7.663 0.00 . . . . . . A 59 GLN H . 31070 1 433 . 1 . 1 59 59 GLN C C 13 178.567 0.00 . . . . . . A 59 GLN C . 31070 1 434 . 1 . 1 59 59 GLN CA C 13 58.382 0.02 . . . . . . A 59 GLN CA . 31070 1 435 . 1 . 1 59 59 GLN CB C 13 28.044 0.00 . . . . . . A 59 GLN CB . 31070 1 436 . 1 . 1 59 59 GLN N N 15 117.139 0.00 . . . . . . A 59 GLN N . 31070 1 437 . 1 . 1 60 60 ARG H H 1 9.098 0.00 . . . . . . A 60 ARG H . 31070 1 438 . 1 . 1 60 60 ARG C C 13 178.748 0.01 . . . . . . A 60 ARG C . 31070 1 439 . 1 . 1 60 60 ARG CA C 13 60.567 0.11 . . . . . . A 60 ARG CA . 31070 1 440 . 1 . 1 60 60 ARG CB C 13 29.536 0.07 . . . . . . A 60 ARG CB . 31070 1 441 . 1 . 1 60 60 ARG N N 15 122.502 0.00 . . . . . . A 60 ARG N . 31070 1 442 . 1 . 1 61 61 ARG H H 1 8.017 0.00 . . . . . . A 61 ARG H . 31070 1 443 . 1 . 1 61 61 ARG C C 13 178.700 0.01 . . . . . . A 61 ARG C . 31070 1 444 . 1 . 1 61 61 ARG CA C 13 59.779 0.04 . . . . . . A 61 ARG CA . 31070 1 445 . 1 . 1 61 61 ARG CB C 13 29.886 0.05 . . . . . . A 61 ARG CB . 31070 1 446 . 1 . 1 61 61 ARG N N 15 116.415 0.00 . . . . . . A 61 ARG N . 31070 1 447 . 1 . 1 62 62 LEU H H 1 7.276 0.00 . . . . . . A 62 LEU H . 31070 1 448 . 1 . 1 62 62 LEU HD11 H 1 0.866 0.00 . . . . . . A 62 LEU HD11 . 31070 1 449 . 1 . 1 62 62 LEU HD12 H 1 0.866 0.00 . . . . . . A 62 LEU HD12 . 31070 1 450 . 1 . 1 62 62 LEU HD13 H 1 0.866 0.00 . . . . . . A 62 LEU HD13 . 31070 1 451 . 1 . 1 62 62 LEU HD21 H 1 0.834 0.00 . . . . . . A 62 LEU HD21 . 31070 1 452 . 1 . 1 62 62 LEU HD22 H 1 0.834 0.00 . . . . . . A 62 LEU HD22 . 31070 1 453 . 1 . 1 62 62 LEU HD23 H 1 0.834 0.00 . . . . . . A 62 LEU HD23 . 31070 1 454 . 1 . 1 62 62 LEU C C 13 179.387 0.04 . . . . . . A 62 LEU C . 31070 1 455 . 1 . 1 62 62 LEU CA C 13 57.589 0.03 . . . . . . A 62 LEU CA . 31070 1 456 . 1 . 1 62 62 LEU CB C 13 41.748 0.02 . . . . . . A 62 LEU CB . 31070 1 457 . 1 . 1 62 62 LEU CD1 C 13 25.156 0.00 . . . . . . A 62 LEU CD1 . 31070 1 458 . 1 . 1 62 62 LEU CD2 C 13 22.911 0.00 . . . . . . A 62 LEU CD2 . 31070 1 459 . 1 . 1 62 62 LEU N N 15 118.208 0.00 . . . . . . A 62 LEU N . 31070 1 460 . 1 . 1 63 63 GLU H H 1 7.780 0.00 . . . . . . A 63 GLU H . 31070 1 461 . 1 . 1 63 63 GLU C C 13 178.102 0.03 . . . . . . A 63 GLU C . 31070 1 462 . 1 . 1 63 63 GLU CA C 13 57.298 0.07 . . . . . . A 63 GLU CA . 31070 1 463 . 1 . 1 63 63 GLU CB C 13 29.662 0.01 . . . . . . A 63 GLU CB . 31070 1 464 . 1 . 1 63 63 GLU N N 15 118.669 0.00 . . . . . . A 63 GLU N . 31070 1 465 . 1 . 1 64 64 GLN H H 1 8.271 0.00 . . . . . . A 64 GLN H . 31070 1 466 . 1 . 1 64 64 GLN C C 13 176.862 0.00 . . . . . . A 64 GLN C . 31070 1 467 . 1 . 1 64 64 GLN CA C 13 58.162 0.00 . . . . . . A 64 GLN CA . 31070 1 468 . 1 . 1 64 64 GLN CB C 13 28.569 0.00 . . . . . . A 64 GLN CB . 31070 1 469 . 1 . 1 64 64 GLN N N 15 119.280 0.00 . . . . . . A 64 GLN N . 31070 1 470 . 1 . 1 65 65 ASN C C 13 175.669 0.00 . . . . . . A 65 ASN C . 31070 1 471 . 1 . 1 65 65 ASN CA C 13 55.144 0.00 . . . . . . A 65 ASN CA . 31070 1 472 . 1 . 1 65 65 ASN CB C 13 38.646 0.00 . . . . . . A 65 ASN CB . 31070 1 473 . 1 . 1 66 66 ALA H H 1 7.742 0.00 . . . . . . A 66 ALA H . 31070 1 474 . 1 . 1 66 66 ALA HB1 H 1 1.443 0.00 . . . . . . A 66 ALA HB1 . 31070 1 475 . 1 . 1 66 66 ALA HB2 H 1 1.443 0.00 . . . . . . A 66 ALA HB2 . 31070 1 476 . 1 . 1 66 66 ALA HB3 H 1 1.443 0.00 . . . . . . A 66 ALA HB3 . 31070 1 477 . 1 . 1 66 66 ALA C C 13 177.895 0.02 . . . . . . A 66 ALA C . 31070 1 478 . 1 . 1 66 66 ALA CA C 13 53.507 0.04 . . . . . . A 66 ALA CA . 31070 1 479 . 1 . 1 66 66 ALA CB C 13 19.045 0.04 . . . . . . A 66 ALA CB . 31070 1 480 . 1 . 1 66 66 ALA N N 15 121.984 0.00 . . . . . . A 66 ALA N . 31070 1 481 . 1 . 1 67 67 GLN H H 1 7.986 0.00 . . . . . . A 67 GLN H . 31070 1 482 . 1 . 1 67 67 GLN C C 13 176.225 0.00 . . . . . . A 67 GLN C . 31070 1 483 . 1 . 1 67 67 GLN CA C 13 56.741 0.00 . . . . . . A 67 GLN CA . 31070 1 484 . 1 . 1 67 67 GLN CB C 13 28.727 0.00 . . . . . . A 67 GLN CB . 31070 1 485 . 1 . 1 67 67 GLN N N 15 117.893 0.00 . . . . . . A 67 GLN N . 31070 1 486 . 1 . 1 70 70 ALA HB1 H 1 1.621 0.00 . . . . . . A 70 ALA HB1 . 31070 1 487 . 1 . 1 70 70 ALA HB2 H 1 1.621 0.00 . . . . . . A 70 ALA HB2 . 31070 1 488 . 1 . 1 70 70 ALA HB3 H 1 1.621 0.00 . . . . . . A 70 ALA HB3 . 31070 1 489 . 1 . 1 70 70 ALA CB C 13 18.013 0.00 . . . . . . A 70 ALA CB . 31070 1 490 . 1 . 1 72 72 ASP C C 13 176.742 0.03 . . . . . . A 72 ASP C . 31070 1 491 . 1 . 1 72 72 ASP CA C 13 56.466 0.08 . . . . . . A 72 ASP CA . 31070 1 492 . 1 . 1 72 72 ASP CB C 13 41.163 0.00 . . . . . . A 72 ASP CB . 31070 1 493 . 1 . 1 73 73 ASP H H 1 8.268 0.00 . . . . . . A 73 ASP H . 31070 1 494 . 1 . 1 73 73 ASP C C 13 178.028 0.02 . . . . . . A 73 ASP C . 31070 1 495 . 1 . 1 73 73 ASP CA C 13 56.270 0.06 . . . . . . A 73 ASP CA . 31070 1 496 . 1 . 1 73 73 ASP CB C 13 40.792 0.05 . . . . . . A 73 ASP CB . 31070 1 497 . 1 . 1 73 73 ASP N N 15 119.439 0.00 . . . . . . A 73 ASP N . 31070 1 498 . 1 . 1 74 74 ILE H H 1 7.821 0.00 . . . . . . A 74 ILE H . 31070 1 499 . 1 . 1 74 74 ILE HD11 H 1 0.680 0.00 . . . . . . A 74 ILE HD11 . 31070 1 500 . 1 . 1 74 74 ILE HD12 H 1 0.680 0.00 . . . . . . A 74 ILE HD12 . 31070 1 501 . 1 . 1 74 74 ILE HD13 H 1 0.680 0.00 . . . . . . A 74 ILE HD13 . 31070 1 502 . 1 . 1 74 74 ILE C C 13 177.375 0.05 . . . . . . A 74 ILE C . 31070 1 503 . 1 . 1 74 74 ILE CA C 13 62.773 0.05 . . . . . . A 74 ILE CA . 31070 1 504 . 1 . 1 74 74 ILE CB C 13 36.690 0.07 . . . . . . A 74 ILE CB . 31070 1 505 . 1 . 1 74 74 ILE CD1 C 13 11.057 0.00 . . . . . . A 74 ILE CD1 . 31070 1 506 . 1 . 1 74 74 ILE N N 15 118.969 0.00 . . . . . . A 74 ILE N . 31070 1 507 . 1 . 1 75 75 ALA H H 1 8.171 0.00 . . . . . . A 75 ALA H . 31070 1 508 . 1 . 1 75 75 ALA HB1 H 1 1.517 0.00 . . . . . . A 75 ALA HB1 . 31070 1 509 . 1 . 1 75 75 ALA HB2 H 1 1.517 0.00 . . . . . . A 75 ALA HB2 . 31070 1 510 . 1 . 1 75 75 ALA HB3 H 1 1.517 0.00 . . . . . . A 75 ALA HB3 . 31070 1 511 . 1 . 1 75 75 ALA C C 13 180.918 0.03 . . . . . . A 75 ALA C . 31070 1 512 . 1 . 1 75 75 ALA CA C 13 56.338 0.01 . . . . . . A 75 ALA CA . 31070 1 513 . 1 . 1 75 75 ALA CB C 13 18.083 0.04 . . . . . . A 75 ALA CB . 31070 1 514 . 1 . 1 75 75 ALA N N 15 122.547 0.00 . . . . . . A 75 ALA N . 31070 1 515 . 1 . 1 76 76 GLU H H 1 8.443 0.00 . . . . . . A 76 GLU H . 31070 1 516 . 1 . 1 76 76 GLU C C 13 179.943 0.01 . . . . . . A 76 GLU C . 31070 1 517 . 1 . 1 76 76 GLU CA C 13 59.965 0.01 . . . . . . A 76 GLU CA . 31070 1 518 . 1 . 1 76 76 GLU CB C 13 29.351 0.04 . . . . . . A 76 GLU CB . 31070 1 519 . 1 . 1 76 76 GLU N N 15 118.681 0.00 . . . . . . A 76 GLU N . 31070 1 520 . 1 . 1 77 77 ARG H H 1 7.990 0.00 . . . . . . A 77 ARG H . 31070 1 521 . 1 . 1 77 77 ARG C C 13 179.636 0.01 . . . . . . A 77 ARG C . 31070 1 522 . 1 . 1 77 77 ARG CA C 13 59.526 0.07 . . . . . . A 77 ARG CA . 31070 1 523 . 1 . 1 77 77 ARG CB C 13 30.824 0.03 . . . . . . A 77 ARG CB . 31070 1 524 . 1 . 1 77 77 ARG N N 15 120.357 0.00 . . . . . . A 77 ARG N . 31070 1 525 . 1 . 1 78 78 TRP H H 1 9.013 0.00 . . . . . . A 78 TRP H . 31070 1 526 . 1 . 1 78 78 TRP HE1 H 1 10.125 0.00 . . . . . . A 78 TRP HE1 . 31070 1 527 . 1 . 1 78 78 TRP C C 13 177.724 0.01 . . . . . . A 78 TRP C . 31070 1 528 . 1 . 1 78 78 TRP CA C 13 59.647 0.01 . . . . . . A 78 TRP CA . 31070 1 529 . 1 . 1 78 78 TRP CB C 13 29.779 0.01 . . . . . . A 78 TRP CB . 31070 1 530 . 1 . 1 78 78 TRP N N 15 120.696 0.00 . . . . . . A 78 TRP N . 31070 1 531 . 1 . 1 78 78 TRP NE1 N 15 129.128 0.00 . . . . . . A 78 TRP NE1 . 31070 1 532 . 1 . 1 79 79 GLN H H 1 8.323 0.00 . . . . . . A 79 GLN H . 31070 1 533 . 1 . 1 79 79 GLN C C 13 178.277 0.02 . . . . . . A 79 GLN C . 31070 1 534 . 1 . 1 79 79 GLN CA C 13 59.299 0.03 . . . . . . A 79 GLN CA . 31070 1 535 . 1 . 1 79 79 GLN CB C 13 27.569 0.01 . . . . . . A 79 GLN CB . 31070 1 536 . 1 . 1 79 79 GLN N N 15 119.840 0.00 . . . . . . A 79 GLN N . 31070 1 537 . 1 . 1 80 80 ALA H H 1 7.543 0.00 . . . . . . A 80 ALA H . 31070 1 538 . 1 . 1 80 80 ALA HB1 H 1 1.515 0.00 . . . . . . A 80 ALA HB1 . 31070 1 539 . 1 . 1 80 80 ALA HB2 H 1 1.515 0.00 . . . . . . A 80 ALA HB2 . 31070 1 540 . 1 . 1 80 80 ALA HB3 H 1 1.515 0.00 . . . . . . A 80 ALA HB3 . 31070 1 541 . 1 . 1 80 80 ALA C C 13 180.883 0.01 . . . . . . A 80 ALA C . 31070 1 542 . 1 . 1 80 80 ALA CA C 13 55.331 0.05 . . . . . . A 80 ALA CA . 31070 1 543 . 1 . 1 80 80 ALA CB C 13 17.811 0.03 . . . . . . A 80 ALA CB . 31070 1 544 . 1 . 1 80 80 ALA N N 15 121.076 0.00 . . . . . . A 80 ALA N . 31070 1 545 . 1 . 1 81 81 ILE H H 1 7.746 0.00 . . . . . . A 81 ILE H . 31070 1 546 . 1 . 1 81 81 ILE HD11 H 1 1.015 0.00 . . . . . . A 81 ILE HD11 . 31070 1 547 . 1 . 1 81 81 ILE HD12 H 1 1.015 0.00 . . . . . . A 81 ILE HD12 . 31070 1 548 . 1 . 1 81 81 ILE HD13 H 1 1.015 0.00 . . . . . . A 81 ILE HD13 . 31070 1 549 . 1 . 1 81 81 ILE C C 13 179.313 0.04 . . . . . . A 81 ILE C . 31070 1 550 . 1 . 1 81 81 ILE CA C 13 65.875 0.02 . . . . . . A 81 ILE CA . 31070 1 551 . 1 . 1 81 81 ILE CB C 13 37.072 0.03 . . . . . . A 81 ILE CB . 31070 1 552 . 1 . 1 81 81 ILE CD1 C 13 14.819 0.00 . . . . . . A 81 ILE CD1 . 31070 1 553 . 1 . 1 81 81 ILE N N 15 120.131 0.00 . . . . . . A 81 ILE N . 31070 1 554 . 1 . 1 82 82 THR H H 1 8.465 0.00 . . . . . . A 82 THR H . 31070 1 555 . 1 . 1 82 82 THR HG21 H 1 0.745 0.00 . . . . . . A 82 THR HG21 . 31070 1 556 . 1 . 1 82 82 THR HG22 H 1 0.745 0.00 . . . . . . A 82 THR HG22 . 31070 1 557 . 1 . 1 82 82 THR HG23 H 1 0.745 0.00 . . . . . . A 82 THR HG23 . 31070 1 558 . 1 . 1 82 82 THR C C 13 176.642 0.00 . . . . . . A 82 THR C . 31070 1 559 . 1 . 1 82 82 THR CA C 13 66.941 0.05 . . . . . . A 82 THR CA . 31070 1 560 . 1 . 1 82 82 THR CB C 13 68.453 0.08 . . . . . . A 82 THR CB . 31070 1 561 . 1 . 1 82 82 THR CG2 C 13 21.382 0.00 . . . . . . A 82 THR CG2 . 31070 1 562 . 1 . 1 82 82 THR N N 15 117.763 0.00 . . . . . . A 82 THR N . 31070 1 563 . 1 . 1 83 83 GLU H H 1 7.977 0.00 . . . . . . A 83 GLU H . 31070 1 564 . 1 . 1 83 83 GLU C C 13 179.853 0.04 . . . . . . A 83 GLU C . 31070 1 565 . 1 . 1 83 83 GLU CA C 13 59.944 0.02 . . . . . . A 83 GLU CA . 31070 1 566 . 1 . 1 83 83 GLU CB C 13 29.439 0.07 . . . . . . A 83 GLU CB . 31070 1 567 . 1 . 1 83 83 GLU N N 15 123.115 0.00 . . . . . . A 83 GLU N . 31070 1 568 . 1 . 1 84 84 LYS H H 1 8.088 0.00 . . . . . . A 84 LYS H . 31070 1 569 . 1 . 1 84 84 LYS C C 13 179.686 0.04 . . . . . . A 84 LYS C . 31070 1 570 . 1 . 1 84 84 LYS CA C 13 59.844 0.01 . . . . . . A 84 LYS CA . 31070 1 571 . 1 . 1 84 84 LYS CB C 13 32.886 0.04 . . . . . . A 84 LYS CB . 31070 1 572 . 1 . 1 84 84 LYS N N 15 119.929 0.00 . . . . . . A 84 LYS N . 31070 1 573 . 1 . 1 85 85 THR H H 1 8.490 0.00 . . . . . . A 85 THR H . 31070 1 574 . 1 . 1 85 85 THR HG21 H 1 1.152 0.00 . . . . . . A 85 THR HG21 . 31070 1 575 . 1 . 1 85 85 THR HG22 H 1 1.152 0.00 . . . . . . A 85 THR HG22 . 31070 1 576 . 1 . 1 85 85 THR HG23 H 1 1.152 0.00 . . . . . . A 85 THR HG23 . 31070 1 577 . 1 . 1 85 85 THR C C 13 175.884 0.00 . . . . . . A 85 THR C . 31070 1 578 . 1 . 1 85 85 THR CA C 13 68.838 0.01 . . . . . . A 85 THR CA . 31070 1 579 . 1 . 1 85 85 THR CB C 13 67.779 0.02 . . . . . . A 85 THR CB . 31070 1 580 . 1 . 1 85 85 THR CG2 C 13 23.422 0.00 . . . . . . A 85 THR CG2 . 31070 1 581 . 1 . 1 85 85 THR N N 15 117.007 0.00 . . . . . . A 85 THR N . 31070 1 582 . 1 . 1 86 86 GLN H H 1 8.059 0.00 . . . . . . A 86 GLN H . 31070 1 583 . 1 . 1 86 86 GLN C C 13 178.292 0.03 . . . . . . A 86 GLN C . 31070 1 584 . 1 . 1 86 86 GLN CA C 13 59.309 0.02 . . . . . . A 86 GLN CA . 31070 1 585 . 1 . 1 86 86 GLN CB C 13 27.773 0.01 . . . . . . A 86 GLN CB . 31070 1 586 . 1 . 1 86 86 GLN N N 15 121.031 0.00 . . . . . . A 86 GLN N . 31070 1 587 . 1 . 1 87 87 HIS H H 1 7.613 0.00 . . . . . . A 87 HIS H . 31070 1 588 . 1 . 1 87 87 HIS C C 13 178.043 0.01 . . . . . . A 87 HIS C . 31070 1 589 . 1 . 1 87 87 HIS CA C 13 59.831 0.03 . . . . . . A 87 HIS CA . 31070 1 590 . 1 . 1 87 87 HIS CB C 13 29.228 0.08 . . . . . . A 87 HIS CB . 31070 1 591 . 1 . 1 87 87 HIS N N 15 117.990 0.00 . . . . . . A 87 HIS N . 31070 1 592 . 1 . 1 88 88 LEU H H 1 8.182 0.00 . . . . . . A 88 LEU H . 31070 1 593 . 1 . 1 88 88 LEU HD11 H 1 0.980 0.00 . . . . . . A 88 LEU HD11 . 31070 1 594 . 1 . 1 88 88 LEU HD12 H 1 0.980 0.00 . . . . . . A 88 LEU HD12 . 31070 1 595 . 1 . 1 88 88 LEU HD13 H 1 0.980 0.00 . . . . . . A 88 LEU HD13 . 31070 1 596 . 1 . 1 88 88 LEU HD21 H 1 0.896 0.00 . . . . . . A 88 LEU HD21 . 31070 1 597 . 1 . 1 88 88 LEU HD22 H 1 0.896 0.00 . . . . . . A 88 LEU HD22 . 31070 1 598 . 1 . 1 88 88 LEU HD23 H 1 0.896 0.00 . . . . . . A 88 LEU HD23 . 31070 1 599 . 1 . 1 88 88 LEU C C 13 178.983 0.01 . . . . . . A 88 LEU C . 31070 1 600 . 1 . 1 88 88 LEU CA C 13 58.031 0.09 . . . . . . A 88 LEU CA . 31070 1 601 . 1 . 1 88 88 LEU CB C 13 41.772 0.09 . . . . . . A 88 LEU CB . 31070 1 602 . 1 . 1 88 88 LEU CD1 C 13 27.885 0.00 . . . . . . A 88 LEU CD1 . 31070 1 603 . 1 . 1 88 88 LEU CD2 C 13 22.463 0.00 . . . . . . A 88 LEU CD2 . 31070 1 604 . 1 . 1 88 88 LEU N N 15 118.055 0.00 . . . . . . A 88 LEU N . 31070 1 605 . 1 . 1 89 89 ARG H H 1 8.506 0.00 . . . . . . A 89 ARG H . 31070 1 606 . 1 . 1 89 89 ARG C C 13 179.873 0.02 . . . . . . A 89 ARG C . 31070 1 607 . 1 . 1 89 89 ARG CA C 13 60.279 0.06 . . . . . . A 89 ARG CA . 31070 1 608 . 1 . 1 89 89 ARG CB C 13 30.000 0.05 . . . . . . A 89 ARG CB . 31070 1 609 . 1 . 1 89 89 ARG N N 15 119.862 0.00 . . . . . . A 89 ARG N . 31070 1 610 . 1 . 1 90 90 ASP H H 1 7.844 0.00 . . . . . . A 90 ASP H . 31070 1 611 . 1 . 1 90 90 ASP C C 13 178.811 0.03 . . . . . . A 90 ASP C . 31070 1 612 . 1 . 1 90 90 ASP CA C 13 58.055 0.11 . . . . . . A 90 ASP CA . 31070 1 613 . 1 . 1 90 90 ASP CB C 13 40.335 0.04 . . . . . . A 90 ASP CB . 31070 1 614 . 1 . 1 90 90 ASP N N 15 122.091 0.00 . . . . . . A 90 ASP N . 31070 1 615 . 1 . 1 91 91 LEU H H 1 8.250 0.00 . . . . . . A 91 LEU H . 31070 1 616 . 1 . 1 91 91 LEU HD11 H 1 0.878 0.00 . . . . . . A 91 LEU HD11 . 31070 1 617 . 1 . 1 91 91 LEU HD12 H 1 0.878 0.00 . . . . . . A 91 LEU HD12 . 31070 1 618 . 1 . 1 91 91 LEU HD13 H 1 0.878 0.00 . . . . . . A 91 LEU HD13 . 31070 1 619 . 1 . 1 91 91 LEU HD21 H 1 0.880 0.00 . . . . . . A 91 LEU HD21 . 31070 1 620 . 1 . 1 91 91 LEU HD22 H 1 0.880 0.00 . . . . . . A 91 LEU HD22 . 31070 1 621 . 1 . 1 91 91 LEU HD23 H 1 0.880 0.00 . . . . . . A 91 LEU HD23 . 31070 1 622 . 1 . 1 91 91 LEU C C 13 178.126 0.04 . . . . . . A 91 LEU C . 31070 1 623 . 1 . 1 91 91 LEU CA C 13 58.264 0.10 . . . . . . A 91 LEU CA . 31070 1 624 . 1 . 1 91 91 LEU CB C 13 42.429 0.03 . . . . . . A 91 LEU CB . 31070 1 625 . 1 . 1 91 91 LEU CD1 C 13 25.783 0.00 . . . . . . A 91 LEU CD1 . 31070 1 626 . 1 . 1 91 91 LEU CD2 C 13 24.174 0.00 . . . . . . A 91 LEU CD2 . 31070 1 627 . 1 . 1 91 91 LEU N N 15 123.807 0.00 . . . . . . A 91 LEU N . 31070 1 628 . 1 . 1 92 92 ASN H H 1 8.722 0.00 . . . . . . A 92 ASN H . 31070 1 629 . 1 . 1 92 92 ASN C C 13 177.449 0.02 . . . . . . A 92 ASN C . 31070 1 630 . 1 . 1 92 92 ASN CA C 13 58.230 0.06 . . . . . . A 92 ASN CA . 31070 1 631 . 1 . 1 92 92 ASN CB C 13 39.886 0.01 . . . . . . A 92 ASN CB . 31070 1 632 . 1 . 1 92 92 ASN N N 15 116.976 0.00 . . . . . . A 92 ASN N . 31070 1 633 . 1 . 1 93 93 GLN H H 1 8.056 0.00 . . . . . . A 93 GLN H . 31070 1 634 . 1 . 1 93 93 GLN C C 13 178.631 0.04 . . . . . . A 93 GLN C . 31070 1 635 . 1 . 1 93 93 GLN CA C 13 59.099 0.00 . . . . . . A 93 GLN CA . 31070 1 636 . 1 . 1 93 93 GLN CB C 13 28.312 0.09 . . . . . . A 93 GLN CB . 31070 1 637 . 1 . 1 93 93 GLN N N 15 118.580 0.00 . . . . . . A 93 GLN N . 31070 1 638 . 1 . 1 94 94 HIS H H 1 7.981 0.00 . . . . . . A 94 HIS H . 31070 1 639 . 1 . 1 94 94 HIS C C 13 177.685 0.01 . . . . . . A 94 HIS C . 31070 1 640 . 1 . 1 94 94 HIS CA C 13 60.071 0.01 . . . . . . A 94 HIS CA . 31070 1 641 . 1 . 1 94 94 HIS CB C 13 29.572 0.01 . . . . . . A 94 HIS CB . 31070 1 642 . 1 . 1 94 94 HIS N N 15 121.265 0.00 . . . . . . A 94 HIS N . 31070 1 643 . 1 . 1 95 95 ASN H H 1 8.824 0.00 . . . . . . A 95 ASN H . 31070 1 644 . 1 . 1 95 95 ASN C C 13 177.901 0.03 . . . . . . A 95 ASN C . 31070 1 645 . 1 . 1 95 95 ASN CA C 13 56.487 0.01 . . . . . . A 95 ASN CA . 31070 1 646 . 1 . 1 95 95 ASN CB C 13 36.029 0.03 . . . . . . A 95 ASN CB . 31070 1 647 . 1 . 1 95 95 ASN N N 15 121.617 0.00 . . . . . . A 95 ASN N . 31070 1 648 . 1 . 1 96 96 GLY H H 1 8.501 0.00 . . . . . . A 96 GLY H . 31070 1 649 . 1 . 1 96 96 GLY C C 13 176.204 0.02 . . . . . . A 96 GLY C . 31070 1 650 . 1 . 1 96 96 GLY CA C 13 48.052 0.01 . . . . . . A 96 GLY CA . 31070 1 651 . 1 . 1 96 96 GLY N N 15 108.451 0.00 . . . . . . A 96 GLY N . 31070 1 652 . 1 . 1 97 97 TRP H H 1 7.972 0.00 . . . . . . A 97 TRP H . 31070 1 653 . 1 . 1 97 97 TRP HE1 H 1 10.035 0.00 . . . . . . A 97 TRP HE1 . 31070 1 654 . 1 . 1 97 97 TRP C C 13 180.037 0.03 . . . . . . A 97 TRP C . 31070 1 655 . 1 . 1 97 97 TRP CA C 13 60.731 0.01 . . . . . . A 97 TRP CA . 31070 1 656 . 1 . 1 97 97 TRP CB C 13 28.214 0.02 . . . . . . A 97 TRP CB . 31070 1 657 . 1 . 1 97 97 TRP N N 15 124.487 0.00 . . . . . . A 97 TRP N . 31070 1 658 . 1 . 1 97 97 TRP NE1 N 15 128.379 0.00 . . . . . . A 97 TRP NE1 . 31070 1 659 . 1 . 1 98 98 LEU H H 1 8.482 0.00 . . . . . . A 98 LEU H . 31070 1 660 . 1 . 1 98 98 LEU HD11 H 1 0.934 0.00 . . . . . . A 98 LEU HD11 . 31070 1 661 . 1 . 1 98 98 LEU HD12 H 1 0.934 0.00 . . . . . . A 98 LEU HD12 . 31070 1 662 . 1 . 1 98 98 LEU HD13 H 1 0.934 0.00 . . . . . . A 98 LEU HD13 . 31070 1 663 . 1 . 1 98 98 LEU HD21 H 1 0.859 0.00 . . . . . . A 98 LEU HD21 . 31070 1 664 . 1 . 1 98 98 LEU HD22 H 1 0.859 0.00 . . . . . . A 98 LEU HD22 . 31070 1 665 . 1 . 1 98 98 LEU HD23 H 1 0.859 0.00 . . . . . . A 98 LEU HD23 . 31070 1 666 . 1 . 1 98 98 LEU C C 13 181.197 0.01 . . . . . . A 98 LEU C . 31070 1 667 . 1 . 1 98 98 LEU CA C 13 57.935 0.05 . . . . . . A 98 LEU CA . 31070 1 668 . 1 . 1 98 98 LEU CB C 13 42.549 0.06 . . . . . . A 98 LEU CB . 31070 1 669 . 1 . 1 98 98 LEU CD1 C 13 26.907 0.00 . . . . . . A 98 LEU CD1 . 31070 1 670 . 1 . 1 98 98 LEU CD2 C 13 22.749 0.00 . . . . . . A 98 LEU CD2 . 31070 1 671 . 1 . 1 98 98 LEU N N 15 121.695 0.00 . . . . . . A 98 LEU N . 31070 1 672 . 1 . 1 99 99 LEU H H 1 8.669 0.00 . . . . . . A 99 LEU H . 31070 1 673 . 1 . 1 99 99 LEU HD11 H 1 0.923 0.00 . . . . . . A 99 LEU HD11 . 31070 1 674 . 1 . 1 99 99 LEU HD12 H 1 0.923 0.00 . . . . . . A 99 LEU HD12 . 31070 1 675 . 1 . 1 99 99 LEU HD13 H 1 0.923 0.00 . . . . . . A 99 LEU HD13 . 31070 1 676 . 1 . 1 99 99 LEU HD21 H 1 0.966 0.00 . . . . . . A 99 LEU HD21 . 31070 1 677 . 1 . 1 99 99 LEU HD22 H 1 0.966 0.00 . . . . . . A 99 LEU HD22 . 31070 1 678 . 1 . 1 99 99 LEU HD23 H 1 0.966 0.00 . . . . . . A 99 LEU HD23 . 31070 1 679 . 1 . 1 99 99 LEU C C 13 178.383 0.03 . . . . . . A 99 LEU C . 31070 1 680 . 1 . 1 99 99 LEU CA C 13 58.694 0.00 . . . . . . A 99 LEU CA . 31070 1 681 . 1 . 1 99 99 LEU CB C 13 41.662 0.17 . . . . . . A 99 LEU CB . 31070 1 682 . 1 . 1 99 99 LEU CD1 C 13 25.401 0.00 . . . . . . A 99 LEU CD1 . 31070 1 683 . 1 . 1 99 99 LEU CD2 C 13 26.002 0.00 . . . . . . A 99 LEU CD2 . 31070 1 684 . 1 . 1 99 99 LEU N N 15 121.028 0.00 . . . . . . A 99 LEU N . 31070 1 685 . 1 . 1 100 100 GLU H H 1 8.048 0.00 . . . . . . A 100 GLU H . 31070 1 686 . 1 . 1 100 100 GLU C C 13 179.762 0.02 . . . . . . A 100 GLU C . 31070 1 687 . 1 . 1 100 100 GLU CA C 13 59.826 0.02 . . . . . . A 100 GLU CA . 31070 1 688 . 1 . 1 100 100 GLU CB C 13 28.644 0.03 . . . . . . A 100 GLU CB . 31070 1 689 . 1 . 1 100 100 GLU N N 15 118.670 0.00 . . . . . . A 100 GLU N . 31070 1 690 . 1 . 1 101 101 GLY H H 1 7.580 0.00 . . . . . . A 101 GLY H . 31070 1 691 . 1 . 1 101 101 GLY C C 13 176.392 0.01 . . . . . . A 101 GLY C . 31070 1 692 . 1 . 1 101 101 GLY CA C 13 47.321 0.01 . . . . . . A 101 GLY CA . 31070 1 693 . 1 . 1 101 101 GLY N N 15 105.896 0.00 . . . . . . A 101 GLY N . 31070 1 694 . 1 . 1 102 102 GLN H H 1 7.775 0.00 . . . . . . A 102 GLN H . 31070 1 695 . 1 . 1 102 102 GLN C C 13 179.028 0.05 . . . . . . A 102 GLN C . 31070 1 696 . 1 . 1 102 102 GLN CA C 13 58.433 0.03 . . . . . . A 102 GLN CA . 31070 1 697 . 1 . 1 102 102 GLN CB C 13 27.435 0.02 . . . . . . A 102 GLN CB . 31070 1 698 . 1 . 1 102 102 GLN N N 15 120.654 0.00 . . . . . . A 102 GLN N . 31070 1 699 . 1 . 1 103 103 ILE H H 1 8.644 0.00 . . . . . . A 103 ILE H . 31070 1 700 . 1 . 1 103 103 ILE HD11 H 1 0.711 0.00 . . . . . . A 103 ILE HD11 . 31070 1 701 . 1 . 1 103 103 ILE HD12 H 1 0.711 0.00 . . . . . . A 103 ILE HD12 . 31070 1 702 . 1 . 1 103 103 ILE HD13 H 1 0.711 0.00 . . . . . . A 103 ILE HD13 . 31070 1 703 . 1 . 1 103 103 ILE C C 13 178.177 0.04 . . . . . . A 103 ILE C . 31070 1 704 . 1 . 1 103 103 ILE CA C 13 66.039 0.04 . . . . . . A 103 ILE CA . 31070 1 705 . 1 . 1 103 103 ILE CB C 13 38.038 0.01 . . . . . . A 103 ILE CB . 31070 1 706 . 1 . 1 103 103 ILE CD1 C 13 12.984 0.00 . . . . . . A 103 ILE CD1 . 31070 1 707 . 1 . 1 103 103 ILE N N 15 122.229 0.00 . . . . . . A 103 ILE N . 31070 1 708 . 1 . 1 104 104 GLU H H 1 7.944 0.00 . . . . . . A 104 GLU H . 31070 1 709 . 1 . 1 104 104 GLU C C 13 178.794 0.04 . . . . . . A 104 GLU C . 31070 1 710 . 1 . 1 104 104 GLU CA C 13 59.585 0.06 . . . . . . A 104 GLU CA . 31070 1 711 . 1 . 1 104 104 GLU CB C 13 29.328 0.15 . . . . . . A 104 GLU CB . 31070 1 712 . 1 . 1 104 104 GLU N N 15 119.928 0.00 . . . . . . A 104 GLU N . 31070 1 713 . 1 . 1 105 105 ARG H H 1 7.825 0.00 . . . . . . A 105 ARG H . 31070 1 714 . 1 . 1 105 105 ARG C C 13 178.388 0.02 . . . . . . A 105 ARG C . 31070 1 715 . 1 . 1 105 105 ARG CA C 13 59.058 0.05 . . . . . . A 105 ARG CA . 31070 1 716 . 1 . 1 105 105 ARG CB C 13 29.996 0.06 . . . . . . A 105 ARG CB . 31070 1 717 . 1 . 1 105 105 ARG N N 15 118.067 0.00 . . . . . . A 105 ARG N . 31070 1 718 . 1 . 1 106 106 ASN H H 1 8.093 0.00 . . . . . . A 106 ASN H . 31070 1 719 . 1 . 1 106 106 ASN C C 13 175.993 0.00 . . . . . . A 106 ASN C . 31070 1 720 . 1 . 1 106 106 ASN CA C 13 56.300 0.04 . . . . . . A 106 ASN CA . 31070 1 721 . 1 . 1 106 106 ASN CB C 13 39.457 0.02 . . . . . . A 106 ASN CB . 31070 1 722 . 1 . 1 106 106 ASN N N 15 118.881 0.00 . . . . . . A 106 ASN N . 31070 1 723 . 1 . 1 107 107 GLN H H 1 8.210 0.00 . . . . . . A 107 GLN H . 31070 1 724 . 1 . 1 107 107 GLN CA C 13 58.322 0.00 . . . . . . A 107 GLN CA . 31070 1 725 . 1 . 1 107 107 GLN CB C 13 28.329 0.00 . . . . . . A 107 GLN CB . 31070 1 726 . 1 . 1 107 107 GLN N N 15 118.431 0.00 . . . . . . A 107 GLN N . 31070 1 727 . 1 . 1 108 108 GLN C C 13 177.296 0.02 . . . . . . A 108 GLN C . 31070 1 728 . 1 . 1 108 108 GLN CA C 13 58.011 0.00 . . . . . . A 108 GLN CA . 31070 1 729 . 1 . 1 108 108 GLN CB C 13 28.387 0.00 . . . . . . A 108 GLN CB . 31070 1 730 . 1 . 1 109 109 ALA H H 1 7.853 0.00 . . . . . . A 109 ALA H . 31070 1 731 . 1 . 1 109 109 ALA HB1 H 1 1.464 0.00 . . . . . . A 109 ALA HB1 . 31070 1 732 . 1 . 1 109 109 ALA HB2 H 1 1.464 0.00 . . . . . . A 109 ALA HB2 . 31070 1 733 . 1 . 1 109 109 ALA HB3 H 1 1.464 0.00 . . . . . . A 109 ALA HB3 . 31070 1 734 . 1 . 1 109 109 ALA C C 13 178.715 0.02 . . . . . . A 109 ALA C . 31070 1 735 . 1 . 1 109 109 ALA CA C 13 54.082 0.01 . . . . . . A 109 ALA CA . 31070 1 736 . 1 . 1 109 109 ALA CB C 13 18.406 0.06 . . . . . . A 109 ALA CB . 31070 1 737 . 1 . 1 109 109 ALA N N 15 122.313 0.00 . . . . . . A 109 ALA N . 31070 1 738 . 1 . 1 110 110 LEU H H 1 7.922 0.00 . . . . . . A 110 LEU H . 31070 1 739 . 1 . 1 110 110 LEU HD11 H 1 0.890 0.00 . . . . . . A 110 LEU HD11 . 31070 1 740 . 1 . 1 110 110 LEU HD12 H 1 0.890 0.00 . . . . . . A 110 LEU HD12 . 31070 1 741 . 1 . 1 110 110 LEU HD13 H 1 0.890 0.00 . . . . . . A 110 LEU HD13 . 31070 1 742 . 1 . 1 110 110 LEU HD21 H 1 0.853 0.00 . . . . . . A 110 LEU HD21 . 31070 1 743 . 1 . 1 110 110 LEU HD22 H 1 0.853 0.00 . . . . . . A 110 LEU HD22 . 31070 1 744 . 1 . 1 110 110 LEU HD23 H 1 0.853 0.00 . . . . . . A 110 LEU HD23 . 31070 1 745 . 1 . 1 110 110 LEU C C 13 178.344 0.04 . . . . . . A 110 LEU C . 31070 1 746 . 1 . 1 110 110 LEU CA C 13 56.760 0.07 . . . . . . A 110 LEU CA . 31070 1 747 . 1 . 1 110 110 LEU CB C 13 41.863 0.03 . . . . . . A 110 LEU CB . 31070 1 748 . 1 . 1 110 110 LEU CD1 C 13 24.951 0.00 . . . . . . A 110 LEU CD1 . 31070 1 749 . 1 . 1 110 110 LEU CD2 C 13 23.778 0.00 . . . . . . A 110 LEU CD2 . 31070 1 750 . 1 . 1 110 110 LEU N N 15 118.696 0.00 . . . . . . A 110 LEU N . 31070 1 751 . 1 . 1 111 111 GLU H H 1 7.961 0.00 . . . . . . A 111 GLU H . 31070 1 752 . 1 . 1 111 111 GLU C C 13 177.337 0.02 . . . . . . A 111 GLU C . 31070 1 753 . 1 . 1 111 111 GLU CA C 13 58.032 0.01 . . . . . . A 111 GLU CA . 31070 1 754 . 1 . 1 111 111 GLU CB C 13 29.860 0.03 . . . . . . A 111 GLU CB . 31070 1 755 . 1 . 1 111 111 GLU N N 15 119.207 0.00 . . . . . . A 111 GLU N . 31070 1 756 . 1 . 1 112 112 VAL H H 1 7.645 0.00 . . . . . . A 112 VAL H . 31070 1 757 . 1 . 1 112 112 VAL HG11 H 1 0.921 0.00 . . . . . . A 112 VAL HG11 . 31070 1 758 . 1 . 1 112 112 VAL HG12 H 1 0.921 0.00 . . . . . . A 112 VAL HG12 . 31070 1 759 . 1 . 1 112 112 VAL HG13 H 1 0.921 0.00 . . . . . . A 112 VAL HG13 . 31070 1 760 . 1 . 1 112 112 VAL HG21 H 1 0.972 0.00 . . . . . . A 112 VAL HG21 . 31070 1 761 . 1 . 1 112 112 VAL HG22 H 1 0.972 0.00 . . . . . . A 112 VAL HG22 . 31070 1 762 . 1 . 1 112 112 VAL HG23 H 1 0.972 0.00 . . . . . . A 112 VAL HG23 . 31070 1 763 . 1 . 1 112 112 VAL C C 13 176.436 0.01 . . . . . . A 112 VAL C . 31070 1 764 . 1 . 1 112 112 VAL CA C 13 63.337 0.00 . . . . . . A 112 VAL CA . 31070 1 765 . 1 . 1 112 112 VAL CB C 13 32.179 0.05 . . . . . . A 112 VAL CB . 31070 1 766 . 1 . 1 112 112 VAL CG1 C 13 21.164 0.00 . . . . . . A 112 VAL CG1 . 31070 1 767 . 1 . 1 112 112 VAL CG2 C 13 20.904 0.00 . . . . . . A 112 VAL CG2 . 31070 1 768 . 1 . 1 112 112 VAL N N 15 117.301 0.00 . . . . . . A 112 VAL N . 31070 1 769 . 1 . 1 113 113 LEU H H 1 7.861 0.00 . . . . . . A 113 LEU H . 31070 1 770 . 1 . 1 113 113 LEU C C 13 177.146 0.00 . . . . . . A 113 LEU C . 31070 1 771 . 1 . 1 113 113 LEU CA C 13 55.739 0.00 . . . . . . A 113 LEU CA . 31070 1 772 . 1 . 1 113 113 LEU CB C 13 42.256 0.00 . . . . . . A 113 LEU CB . 31070 1 773 . 1 . 1 113 113 LEU N N 15 122.137 0.00 . . . . . . A 113 LEU N . 31070 1 774 . 1 . 1 115 115 PRO CA C 13 63.417 0.00 . . . . . . A 115 PRO CA . 31070 1 775 . 1 . 1 115 115 PRO CB C 13 31.853 0.00 . . . . . . A 115 PRO CB . 31070 1 776 . 1 . 1 116 116 HIS H H 1 8.386 0.00 . . . . . . A 116 HIS H . 31070 1 777 . 1 . 1 116 116 HIS CA C 13 56.635 0.00 . . . . . . A 116 HIS CA . 31070 1 778 . 1 . 1 116 116 HIS CB C 13 30.646 0.00 . . . . . . A 116 HIS CB . 31070 1 779 . 1 . 1 116 116 HIS N N 15 121.472 0.00 . . . . . . A 116 HIS N . 31070 1 780 . 1 . 1 119 119 PRO C C 13 177.044 0.00 . . . . . . A 119 PRO C . 31070 1 781 . 1 . 1 119 119 PRO CA C 13 63.940 0.00 . . . . . . A 119 PRO CA . 31070 1 782 . 1 . 1 119 119 PRO CB C 13 31.879 0.00 . . . . . . A 119 PRO CB . 31070 1 783 . 1 . 1 120 120 THR H H 1 8.110 0.00 . . . . . . A 120 THR H . 31070 1 784 . 1 . 1 120 120 THR HG21 H 1 1.192 0.00 . . . . . . A 120 THR HG21 . 31070 1 785 . 1 . 1 120 120 THR HG22 H 1 1.192 0.00 . . . . . . A 120 THR HG22 . 31070 1 786 . 1 . 1 120 120 THR HG23 H 1 1.192 0.00 . . . . . . A 120 THR HG23 . 31070 1 787 . 1 . 1 120 120 THR C C 13 174.357 0.00 . . . . . . A 120 THR C . 31070 1 788 . 1 . 1 120 120 THR CA C 13 62.352 0.01 . . . . . . A 120 THR CA . 31070 1 789 . 1 . 1 120 120 THR CB C 13 70.043 0.04 . . . . . . A 120 THR CB . 31070 1 790 . 1 . 1 120 120 THR CG2 C 13 21.665 0.00 . . . . . . A 120 THR CG2 . 31070 1 791 . 1 . 1 120 120 THR N N 15 113.975 0.00 . . . . . . A 120 THR N . 31070 1 792 . 1 . 1 121 121 LEU H H 1 8.065 0.00 . . . . . . A 121 LEU H . 31070 1 793 . 1 . 1 121 121 LEU C C 13 176.788 0.02 . . . . . . A 121 LEU C . 31070 1 794 . 1 . 1 121 121 LEU CA C 13 55.531 0.02 . . . . . . A 121 LEU CA . 31070 1 795 . 1 . 1 121 121 LEU CB C 13 42.233 0.01 . . . . . . A 121 LEU CB . 31070 1 796 . 1 . 1 121 121 LEU N N 15 124.079 0.00 . . . . . . A 121 LEU N . 31070 1 797 . 1 . 1 122 122 TYR H H 1 8.057 0.00 . . . . . . A 122 TYR H . 31070 1 798 . 1 . 1 122 122 TYR C C 13 176.377 0.00 . . . . . . A 122 TYR C . 31070 1 799 . 1 . 1 122 122 TYR CA C 13 58.175 0.02 . . . . . . A 122 TYR CA . 31070 1 800 . 1 . 1 122 122 TYR CB C 13 38.755 0.02 . . . . . . A 122 TYR CB . 31070 1 801 . 1 . 1 122 122 TYR N N 15 119.936 0.00 . . . . . . A 122 TYR N . 31070 1 802 . 1 . 1 123 123 GLY H H 1 8.223 0.00 . . . . . . A 123 GLY H . 31070 1 803 . 1 . 1 123 123 GLY C C 13 174.087 0.00 . . . . . . A 123 GLY C . 31070 1 804 . 1 . 1 123 123 GLY CA C 13 45.584 0.07 . . . . . . A 123 GLY CA . 31070 1 805 . 1 . 1 123 123 GLY N N 15 109.924 0.00 . . . . . . A 123 GLY N . 31070 1 806 . 1 . 1 124 124 ALA H H 1 8.153 0.00 . . . . . . A 124 ALA H . 31070 1 807 . 1 . 1 124 124 ALA HB1 H 1 1.325 0.00 . . . . . . A 124 ALA HB1 . 31070 1 808 . 1 . 1 124 124 ALA HB2 H 1 1.325 0.00 . . . . . . A 124 ALA HB2 . 31070 1 809 . 1 . 1 124 124 ALA HB3 H 1 1.325 0.00 . . . . . . A 124 ALA HB3 . 31070 1 810 . 1 . 1 124 124 ALA C C 13 177.669 0.04 . . . . . . A 124 ALA C . 31070 1 811 . 1 . 1 124 124 ALA CA C 13 53.115 0.04 . . . . . . A 124 ALA CA . 31070 1 812 . 1 . 1 124 124 ALA CB C 13 19.041 0.01 . . . . . . A 124 ALA CB . 31070 1 813 . 1 . 1 124 124 ALA N N 15 123.570 0.00 . . . . . . A 124 ALA N . 31070 1 814 . 1 . 1 125 125 ASP H H 1 8.292 0.00 . . . . . . A 125 ASP H . 31070 1 815 . 1 . 1 125 125 ASP C C 13 176.947 0.00 . . . . . . A 125 ASP C . 31070 1 816 . 1 . 1 125 125 ASP CA C 13 54.838 0.05 . . . . . . A 125 ASP CA . 31070 1 817 . 1 . 1 125 125 ASP CB C 13 41.201 0.02 . . . . . . A 125 ASP CB . 31070 1 818 . 1 . 1 125 125 ASP N N 15 118.221 0.00 . . . . . . A 125 ASP N . 31070 1 819 . 1 . 1 126 126 GLY H H 1 8.218 0.00 . . . . . . A 126 GLY H . 31070 1 820 . 1 . 1 126 126 GLY C C 13 174.415 0.00 . . . . . . A 126 GLY C . 31070 1 821 . 1 . 1 126 126 GLY CA C 13 45.985 0.00 . . . . . . A 126 GLY CA . 31070 1 822 . 1 . 1 126 126 GLY N N 15 108.485 0.00 . . . . . . A 126 GLY N . 31070 1 823 . 1 . 1 131 131 SER CA C 13 63.665 0.00 . . . . . . A 131 SER CA . 31070 1 824 . 1 . 1 131 131 SER CB C 13 59.547 0.00 . . . . . . A 131 SER CB . 31070 1 825 . 1 . 1 132 132 HIS H H 1 8.317 0.00 . . . . . . A 132 HIS H . 31070 1 826 . 1 . 1 132 132 HIS CA C 13 56.520 0.00 . . . . . . A 132 HIS CA . 31070 1 827 . 1 . 1 132 132 HIS CB C 13 30.570 0.00 . . . . . . A 132 HIS CB . 31070 1 828 . 1 . 1 132 132 HIS N N 15 118.750 0.00 . . . . . . A 132 HIS N . 31070 1 829 . 1 . 1 135 135 GLY CA C 13 46.029 0.00 . . . . . . A 135 GLY CA . 31070 1 830 . 1 . 1 136 136 LYS H H 1 8.181 0.00 . . . . . . A 136 LYS H . 31070 1 831 . 1 . 1 136 136 LYS CA C 13 56.444 0.00 . . . . . . A 136 LYS CA . 31070 1 832 . 1 . 1 136 136 LYS CB C 13 29.319 0.00 . . . . . . A 136 LYS CB . 31070 1 833 . 1 . 1 136 136 LYS N N 15 119.226 0.00 . . . . . . A 136 LYS N . 31070 1 834 . 1 . 1 137 137 LYS C C 13 176.291 0.00 . . . . . . A 137 LYS C . 31070 1 835 . 1 . 1 137 137 LYS CA C 13 56.671 0.00 . . . . . . A 137 LYS CA . 31070 1 836 . 1 . 1 137 137 LYS CB C 13 32.705 0.00 . . . . . . A 137 LYS CB . 31070 1 837 . 1 . 1 138 138 ILE H H 1 8.142 0.00 . . . . . . A 138 ILE H . 31070 1 838 . 1 . 1 138 138 ILE HD11 H 1 0.776 0.00 . . . . . . A 138 ILE HD11 . 31070 1 839 . 1 . 1 138 138 ILE HD12 H 1 0.776 0.00 . . . . . . A 138 ILE HD12 . 31070 1 840 . 1 . 1 138 138 ILE HD13 H 1 0.776 0.00 . . . . . . A 138 ILE HD13 . 31070 1 841 . 1 . 1 138 138 ILE C C 13 175.897 0.00 . . . . . . A 138 ILE C . 31070 1 842 . 1 . 1 138 138 ILE CA C 13 61.211 0.00 . . . . . . A 138 ILE CA . 31070 1 843 . 1 . 1 138 138 ILE CB C 13 38.797 0.00 . . . . . . A 138 ILE CB . 31070 1 844 . 1 . 1 138 138 ILE CD1 C 13 12.798 0.00 . . . . . . A 138 ILE CD1 . 31070 1 845 . 1 . 1 138 138 ILE N N 15 122.094 0.00 . . . . . . A 138 ILE N . 31070 1 846 . 1 . 1 139 139 SER C C 13 174.179 0.03 . . . . . . A 139 SER C . 31070 1 847 . 1 . 1 139 139 SER CA C 13 58.366 0.00 . . . . . . A 139 SER CA . 31070 1 848 . 1 . 1 139 139 SER CB C 13 63.940 0.00 . . . . . . A 139 SER CB . 31070 1 849 . 1 . 1 140 140 ILE H H 1 8.088 0.00 . . . . . . A 140 ILE H . 31070 1 850 . 1 . 1 140 140 ILE HD11 H 1 0.783 0.00 . . . . . . A 140 ILE HD11 . 31070 1 851 . 1 . 1 140 140 ILE HD12 H 1 0.783 0.00 . . . . . . A 140 ILE HD12 . 31070 1 852 . 1 . 1 140 140 ILE HD13 H 1 0.783 0.00 . . . . . . A 140 ILE HD13 . 31070 1 853 . 1 . 1 140 140 ILE C C 13 175.757 0.00 . . . . . . A 140 ILE C . 31070 1 854 . 1 . 1 140 140 ILE CA C 13 61.477 0.01 . . . . . . A 140 ILE CA . 31070 1 855 . 1 . 1 140 140 ILE CB C 13 38.728 0.04 . . . . . . A 140 ILE CB . 31070 1 856 . 1 . 1 140 140 ILE CD1 C 13 12.901 0.00 . . . . . . A 140 ILE CD1 . 31070 1 857 . 1 . 1 140 140 ILE N N 15 122.494 0.00 . . . . . . A 140 ILE N . 31070 1 858 . 1 . 1 141 141 VAL H H 1 8.044 0.00 . . . . . . A 141 VAL H . 31070 1 859 . 1 . 1 141 141 VAL HG11 H 1 0.776 0.00 . . . . . . A 141 VAL HG11 . 31070 1 860 . 1 . 1 141 141 VAL HG12 H 1 0.776 0.00 . . . . . . A 141 VAL HG12 . 31070 1 861 . 1 . 1 141 141 VAL HG13 H 1 0.776 0.00 . . . . . . A 141 VAL HG13 . 31070 1 862 . 1 . 1 141 141 VAL HG21 H 1 0.845 0.00 . . . . . . A 141 VAL HG21 . 31070 1 863 . 1 . 1 141 141 VAL HG22 H 1 0.845 0.00 . . . . . . A 141 VAL HG22 . 31070 1 864 . 1 . 1 141 141 VAL HG23 H 1 0.845 0.00 . . . . . . A 141 VAL HG23 . 31070 1 865 . 1 . 1 141 141 VAL C C 13 175.656 0.01 . . . . . . A 141 VAL C . 31070 1 866 . 1 . 1 141 141 VAL CA C 13 62.693 0.01 . . . . . . A 141 VAL CA . 31070 1 867 . 1 . 1 141 141 VAL CB C 13 32.399 0.01 . . . . . . A 141 VAL CB . 31070 1 868 . 1 . 1 141 141 VAL CG1 C 13 21.192 0.00 . . . . . . A 141 VAL CG1 . 31070 1 869 . 1 . 1 141 141 VAL CG2 C 13 20.639 0.00 . . . . . . A 141 VAL CG2 . 31070 1 870 . 1 . 1 141 141 VAL N N 15 123.376 0.00 . . . . . . A 141 VAL N . 31070 1 871 . 1 . 1 142 142 LEU H H 1 8.122 0.00 . . . . . . A 142 LEU H . 31070 1 872 . 1 . 1 142 142 LEU HD11 H 1 0.816 0.00 . . . . . . A 142 LEU HD11 . 31070 1 873 . 1 . 1 142 142 LEU HD12 H 1 0.816 0.00 . . . . . . A 142 LEU HD12 . 31070 1 874 . 1 . 1 142 142 LEU HD13 H 1 0.816 0.00 . . . . . . A 142 LEU HD13 . 31070 1 875 . 1 . 1 142 142 LEU HD21 H 1 0.753 0.00 . . . . . . A 142 LEU HD21 . 31070 1 876 . 1 . 1 142 142 LEU HD22 H 1 0.753 0.00 . . . . . . A 142 LEU HD22 . 31070 1 877 . 1 . 1 142 142 LEU HD23 H 1 0.753 0.00 . . . . . . A 142 LEU HD23 . 31070 1 878 . 1 . 1 142 142 LEU C C 13 176.677 0.01 . . . . . . A 142 LEU C . 31070 1 879 . 1 . 1 142 142 LEU CA C 13 55.319 0.04 . . . . . . A 142 LEU CA . 31070 1 880 . 1 . 1 142 142 LEU CB C 13 42.361 0.00 . . . . . . A 142 LEU CB . 31070 1 881 . 1 . 1 142 142 LEU CD1 C 13 24.704 0.00 . . . . . . A 142 LEU CD1 . 31070 1 882 . 1 . 1 142 142 LEU CD2 C 13 23.460 0.00 . . . . . . A 142 LEU CD2 . 31070 1 883 . 1 . 1 142 142 LEU N N 15 125.129 0.00 . . . . . . A 142 LEU N . 31070 1 884 . 1 . 1 143 143 PHE H H 1 8.138 0.00 . . . . . . A 143 PHE H . 31070 1 885 . 1 . 1 143 143 PHE HD1 H 1 7.201 0.00 . . . . . . A 143 PHE HD1 . 31070 1 886 . 1 . 1 143 143 PHE HD2 H 1 7.201 0.00 . . . . . . A 143 PHE HD2 . 31070 1 887 . 1 . 1 143 143 PHE HE1 H 1 7.273 0.00 . . . . . . A 143 PHE HE1 . 31070 1 888 . 1 . 1 143 143 PHE HE2 H 1 7.273 0.00 . . . . . . A 143 PHE HE2 . 31070 1 889 . 1 . 1 143 143 PHE HZ H 1 7.218 0.00 . . . . . . A 143 PHE HZ . 31070 1 890 . 1 . 1 143 143 PHE C C 13 175.313 0.01 . . . . . . A 143 PHE C . 31070 1 891 . 1 . 1 143 143 PHE CA C 13 57.992 0.07 . . . . . . A 143 PHE CA . 31070 1 892 . 1 . 1 143 143 PHE CB C 13 39.438 0.02 . . . . . . A 143 PHE CB . 31070 1 893 . 1 . 1 143 143 PHE CD1 C 13 131.985 0.00 . . . . . . A 143 PHE CD1 . 31070 1 894 . 1 . 1 143 143 PHE CD2 C 13 131.985 0.00 . . . . . . A 143 PHE CD2 . 31070 1 895 . 1 . 1 143 143 PHE CE1 C 13 131.320 0.00 . . . . . . A 143 PHE CE1 . 31070 1 896 . 1 . 1 143 143 PHE CE2 C 13 131.320 0.00 . . . . . . A 143 PHE CE2 . 31070 1 897 . 1 . 1 143 143 PHE CZ C 13 129.700 0.00 . . . . . . A 143 PHE CZ . 31070 1 898 . 1 . 1 143 143 PHE N N 15 120.308 0.00 . . . . . . A 143 PHE N . 31070 1 899 . 1 . 1 144 144 GLN H H 1 8.211 0.00 . . . . . . A 144 GLN H . 31070 1 900 . 1 . 1 144 144 GLN C C 13 175.607 0.02 . . . . . . A 144 GLN C . 31070 1 901 . 1 . 1 144 144 GLN CA C 13 55.799 0.03 . . . . . . A 144 GLN CA . 31070 1 902 . 1 . 1 144 144 GLN CB C 13 29.888 0.02 . . . . . . A 144 GLN CB . 31070 1 903 . 1 . 1 144 144 GLN N N 15 121.563 0.00 . . . . . . A 144 GLN N . 31070 1 904 . 1 . 1 145 145 GLY H H 1 7.888 0.00 . . . . . . A 145 GLY H . 31070 1 905 . 1 . 1 145 145 GLY C C 13 171.905 0.00 . . . . . . A 145 GLY C . 31070 1 906 . 1 . 1 145 145 GLY CA C 13 44.866 0.00 . . . . . . A 145 GLY CA . 31070 1 907 . 1 . 1 145 145 GLY N N 15 109.499 0.00 . . . . . . A 145 GLY N . 31070 1 908 . 1 . 1 148 148 ALA HB1 H 1 1.360 0.00 . . . . . . A 148 ALA HB1 . 31070 1 909 . 1 . 1 148 148 ALA HB2 H 1 1.360 0.00 . . . . . . A 148 ALA HB2 . 31070 1 910 . 1 . 1 148 148 ALA HB3 H 1 1.360 0.00 . . . . . . A 148 ALA HB3 . 31070 1 911 . 1 . 1 148 148 ALA CA C 13 53.182 0.00 . . . . . . A 148 ALA CA . 31070 1 912 . 1 . 1 148 148 ALA CB C 13 19.105 0.08 . . . . . . A 148 ALA CB . 31070 1 913 . 1 . 1 149 149 GLY H H 1 8.200 0.00 . . . . . . A 149 GLY H . 31070 1 914 . 1 . 1 149 149 GLY C C 13 173.828 0.03 . . . . . . A 149 GLY C . 31070 1 915 . 1 . 1 149 149 GLY CA C 13 45.543 0.03 . . . . . . A 149 GLY CA . 31070 1 916 . 1 . 1 149 149 GLY N N 15 107.029 0.00 . . . . . . A 149 GLY N . 31070 1 917 . 1 . 1 150 150 LEU H H 1 7.926 0.00 . . . . . . A 150 LEU H . 31070 1 918 . 1 . 1 150 150 LEU C C 13 176.927 0.00 . . . . . . A 150 LEU C . 31070 1 919 . 1 . 1 150 150 LEU CA C 13 55.428 0.07 . . . . . . A 150 LEU CA . 31070 1 920 . 1 . 1 150 150 LEU CB C 13 42.132 0.02 . . . . . . A 150 LEU CB . 31070 1 921 . 1 . 1 150 150 LEU N N 15 121.120 0.00 . . . . . . A 150 LEU N . 31070 1 922 . 1 . 1 151 151 VAL H H 1 7.966 0.00 . . . . . . A 151 VAL H . 31070 1 923 . 1 . 1 151 151 VAL HG11 H 1 0.880 0.00 . . . . . . A 151 VAL HG11 . 31070 1 924 . 1 . 1 151 151 VAL HG12 H 1 0.880 0.00 . . . . . . A 151 VAL HG12 . 31070 1 925 . 1 . 1 151 151 VAL HG13 H 1 0.880 0.00 . . . . . . A 151 VAL HG13 . 31070 1 926 . 1 . 1 151 151 VAL HG21 H 1 0.908 0.00 . . . . . . A 151 VAL HG21 . 31070 1 927 . 1 . 1 151 151 VAL HG22 H 1 0.908 0.00 . . . . . . A 151 VAL HG22 . 31070 1 928 . 1 . 1 151 151 VAL HG23 H 1 0.908 0.00 . . . . . . A 151 VAL HG23 . 31070 1 929 . 1 . 1 151 151 VAL CA C 13 60.115 0.00 . . . . . . A 151 VAL CA . 31070 1 930 . 1 . 1 151 151 VAL CB C 13 32.492 0.00 . . . . . . A 151 VAL CB . 31070 1 931 . 1 . 1 151 151 VAL CG1 C 13 20.255 0.00 . . . . . . A 151 VAL CG1 . 31070 1 932 . 1 . 1 151 151 VAL CG2 C 13 20.972 0.00 . . . . . . A 151 VAL CG2 . 31070 1 933 . 1 . 1 151 151 VAL N N 15 121.488 0.00 . . . . . . A 151 VAL N . 31070 1 934 . 1 . 1 152 152 PRO C C 13 178.246 0.00 . . . . . . A 152 PRO C . 31070 1 935 . 1 . 1 152 152 PRO CA C 13 66.915 0.00 . . . . . . A 152 PRO CA . 31070 1 936 . 1 . 1 152 152 PRO CB C 13 29.231 0.05 . . . . . . A 152 PRO CB . 31070 1 937 . 1 . 1 153 153 ARG H H 1 8.483 0.00 . . . . . . A 153 ARG H . 31070 1 938 . 1 . 1 153 153 ARG C C 13 180.050 0.00 . . . . . . A 153 ARG C . 31070 1 939 . 1 . 1 153 153 ARG CA C 13 58.752 0.00 . . . . . . A 153 ARG CA . 31070 1 940 . 1 . 1 153 153 ARG CB C 13 31.094 0.00 . . . . . . A 153 ARG CB . 31070 1 941 . 1 . 1 153 153 ARG N N 15 119.246 0.00 . . . . . . A 153 ARG N . 31070 1 942 . 1 . 1 157 157 GLY CA C 13 45.522 0.00 . . . . . . A 157 GLY CA . 31070 1 943 . 1 . 1 158 158 ILE H H 1 8.003 0.00 . . . . . . A 158 ILE H . 31070 1 944 . 1 . 1 158 158 ILE HD11 H 1 0.807 0.00 . . . . . . A 158 ILE HD11 . 31070 1 945 . 1 . 1 158 158 ILE HD12 H 1 0.807 0.00 . . . . . . A 158 ILE HD12 . 31070 1 946 . 1 . 1 158 158 ILE HD13 H 1 0.807 0.00 . . . . . . A 158 ILE HD13 . 31070 1 947 . 1 . 1 158 158 ILE C C 13 176.550 0.01 . . . . . . A 158 ILE C . 31070 1 948 . 1 . 1 158 158 ILE CA C 13 61.836 0.05 . . . . . . A 158 ILE CA . 31070 1 949 . 1 . 1 158 158 ILE CB C 13 38.528 0.02 . . . . . . A 158 ILE CB . 31070 1 950 . 1 . 1 158 158 ILE CD1 C 13 12.904 0.00 . . . . . . A 158 ILE CD1 . 31070 1 951 . 1 . 1 158 158 ILE N N 15 119.595 0.00 . . . . . . A 158 ILE N . 31070 1 952 . 1 . 1 159 159 GLU H H 1 8.569 0.00 . . . . . . A 159 GLU H . 31070 1 953 . 1 . 1 159 159 GLU C C 13 177.116 0.01 . . . . . . A 159 GLU C . 31070 1 954 . 1 . 1 159 159 GLU CA C 13 57.577 0.03 . . . . . . A 159 GLU CA . 31070 1 955 . 1 . 1 159 159 GLU CB C 13 29.885 0.08 . . . . . . A 159 GLU CB . 31070 1 956 . 1 . 1 159 159 GLU N N 15 124.261 0.00 . . . . . . A 159 GLU N . 31070 1 957 . 1 . 1 160 160 GLY H H 1 8.301 0.00 . . . . . . A 160 GLY H . 31070 1 958 . 1 . 1 160 160 GLY C C 13 174.317 0.03 . . . . . . A 160 GLY C . 31070 1 959 . 1 . 1 160 160 GLY CA C 13 45.802 0.07 . . . . . . A 160 GLY CA . 31070 1 960 . 1 . 1 160 160 GLY N N 15 109.391 0.00 . . . . . . A 160 GLY N . 31070 1 961 . 1 . 1 161 161 MET H H 1 8.033 0.00 . . . . . . A 161 MET H . 31070 1 962 . 1 . 1 161 161 MET HE1 H 1 2.076 0.00 . . . . . . A 161 MET HE1 . 31070 1 963 . 1 . 1 161 161 MET HE2 H 1 2.076 0.00 . . . . . . A 161 MET HE2 . 31070 1 964 . 1 . 1 161 161 MET HE3 H 1 2.076 0.00 . . . . . . A 161 MET HE3 . 31070 1 965 . 1 . 1 161 161 MET C C 13 176.140 0.02 . . . . . . A 161 MET C . 31070 1 966 . 1 . 1 161 161 MET CA C 13 55.916 0.01 . . . . . . A 161 MET CA . 31070 1 967 . 1 . 1 161 161 MET CB C 13 32.913 0.01 . . . . . . A 161 MET CB . 31070 1 968 . 1 . 1 161 161 MET CE C 13 17.182 0.00 . . . . . . A 161 MET CE . 31070 1 969 . 1 . 1 161 161 MET N N 15 119.387 0.00 . . . . . . A 161 MET N . 31070 1 970 . 1 . 1 162 162 ALA H H 1 8.244 0.00 . . . . . . A 162 ALA H . 31070 1 971 . 1 . 1 162 162 ALA C C 13 177.661 0.00 . . . . . . A 162 ALA C . 31070 1 972 . 1 . 1 162 162 ALA CA C 13 53.028 0.00 . . . . . . A 162 ALA CA . 31070 1 973 . 1 . 1 162 162 ALA CB C 13 18.971 0.00 . . . . . . A 162 ALA CB . 31070 1 974 . 1 . 1 162 162 ALA N N 15 124.572 0.00 . . . . . . A 162 ALA N . 31070 1 975 . 1 . 1 166 166 ALA HB1 H 1 1.377 0.00 . . . . . . A 166 ALA HB1 . 31070 1 976 . 1 . 1 166 166 ALA HB2 H 1 1.377 0.00 . . . . . . A 166 ALA HB2 . 31070 1 977 . 1 . 1 166 166 ALA HB3 H 1 1.377 0.00 . . . . . . A 166 ALA HB3 . 31070 1 978 . 1 . 1 166 166 ALA CA C 13 53.014 0.00 . . . . . . A 166 ALA CA . 31070 1 979 . 1 . 1 166 166 ALA CB C 13 19.169 0.04 . . . . . . A 166 ALA CB . 31070 1 980 . 1 . 1 167 167 LEU H H 1 8.181 0.00 . . . . . . A 167 LEU H . 31070 1 981 . 1 . 1 167 167 LEU C C 13 177.812 0.06 . . . . . . A 167 LEU C . 31070 1 982 . 1 . 1 167 167 LEU CA C 13 56.085 0.02 . . . . . . A 167 LEU CA . 31070 1 983 . 1 . 1 167 167 LEU CB C 13 41.986 0.06 . . . . . . A 167 LEU CB . 31070 1 984 . 1 . 1 167 167 LEU N N 15 120.531 0.00 . . . . . . A 167 LEU N . 31070 1 985 . 1 . 1 168 168 GLU H H 1 8.396 0.00 . . . . . . A 168 GLU H . 31070 1 986 . 1 . 1 168 168 GLU C C 13 176.878 0.00 . . . . . . A 168 GLU C . 31070 1 987 . 1 . 1 168 168 GLU CA C 13 57.637 0.02 . . . . . . A 168 GLU CA . 31070 1 988 . 1 . 1 168 168 GLU CB C 13 30.002 0.04 . . . . . . A 168 GLU CB . 31070 1 989 . 1 . 1 168 168 GLU N N 15 120.722 0.00 . . . . . . A 168 GLU N . 31070 1 990 . 1 . 1 169 169 THR H H 1 8.020 0.00 . . . . . . A 169 THR H . 31070 1 991 . 1 . 1 169 169 THR HG21 H 1 1.090 0.00 . . . . . . A 169 THR HG21 . 31070 1 992 . 1 . 1 169 169 THR HG22 H 1 1.090 0.00 . . . . . . A 169 THR HG22 . 31070 1 993 . 1 . 1 169 169 THR HG23 H 1 1.090 0.00 . . . . . . A 169 THR HG23 . 31070 1 994 . 1 . 1 169 169 THR C C 13 174.792 0.02 . . . . . . A 169 THR C . 31070 1 995 . 1 . 1 169 169 THR CA C 13 62.756 0.01 . . . . . . A 169 THR CA . 31070 1 996 . 1 . 1 169 169 THR CB C 13 69.987 0.01 . . . . . . A 169 THR CB . 31070 1 997 . 1 . 1 169 169 THR CG2 C 13 21.547 0.00 . . . . . . A 169 THR CG2 . 31070 1 998 . 1 . 1 169 169 THR N N 15 113.932 0.00 . . . . . . A 169 THR N . 31070 1 999 . 1 . 1 170 170 LEU H H 1 8.084 0.00 . . . . . . A 170 LEU H . 31070 1 1000 . 1 . 1 170 170 LEU C C 13 177.623 0.05 . . . . . . A 170 LEU C . 31070 1 1001 . 1 . 1 170 170 LEU CA C 13 56.237 0.03 . . . . . . A 170 LEU CA . 31070 1 1002 . 1 . 1 170 170 LEU CB C 13 41.684 0.03 . . . . . . A 170 LEU CB . 31070 1 1003 . 1 . 1 170 170 LEU N N 15 123.327 0.00 . . . . . . A 170 LEU N . 31070 1 1004 . 1 . 1 171 171 LYS H H 1 8.082 0.00 . . . . . . A 171 LYS H . 31070 1 1005 . 1 . 1 171 171 LYS C C 13 176.600 0.00 . . . . . . A 171 LYS C . 31070 1 1006 . 1 . 1 171 171 LYS CA C 13 57.523 0.00 . . . . . . A 171 LYS CA . 31070 1 1007 . 1 . 1 171 171 LYS CB C 13 32.670 0.00 . . . . . . A 171 LYS CB . 31070 1 1008 . 1 . 1 171 171 LYS N N 15 121.073 0.00 . . . . . . A 171 LYS N . 31070 1 1009 . 1 . 1 173 173 LEU C C 13 177.709 0.00 . . . . . . A 173 LEU C . 31070 1 1010 . 1 . 1 173 173 LEU CA C 13 56.433 0.00 . . . . . . A 173 LEU CA . 31070 1 1011 . 1 . 1 173 173 LEU CB C 13 41.848 0.00 . . . . . . A 173 LEU CB . 31070 1 1012 . 1 . 1 174 174 ALA H H 1 8.208 0.00 . . . . . . A 174 ALA H . 31070 1 1013 . 1 . 1 174 174 ALA HB1 H 1 1.419 0.00 . . . . . . A 174 ALA HB1 . 31070 1 1014 . 1 . 1 174 174 ALA HB2 H 1 1.419 0.00 . . . . . . A 174 ALA HB2 . 31070 1 1015 . 1 . 1 174 174 ALA HB3 H 1 1.419 0.00 . . . . . . A 174 ALA HB3 . 31070 1 1016 . 1 . 1 174 174 ALA C C 13 178.611 0.01 . . . . . . A 174 ALA C . 31070 1 1017 . 1 . 1 174 174 ALA CA C 13 53.675 0.00 . . . . . . A 174 ALA CA . 31070 1 1018 . 1 . 1 174 174 ALA CB C 13 18.938 0.01 . . . . . . A 174 ALA CB . 31070 1 1019 . 1 . 1 174 174 ALA N N 15 123.266 0.00 . . . . . . A 174 ALA N . 31070 1 1020 . 1 . 1 175 175 GLU H H 1 8.225 0.00 . . . . . . A 175 GLU H . 31070 1 1021 . 1 . 1 175 175 GLU C C 13 177.203 0.00 . . . . . . A 175 GLU C . 31070 1 1022 . 1 . 1 175 175 GLU N N 15 118.773 0.00 . . . . . . A 175 GLU N . 31070 1 1023 . 1 . 1 177 177 GLU C C 13 177.918 0.02 . . . . . . A 177 GLU C . 31070 1 1024 . 1 . 1 177 177 GLU CA C 13 58.091 0.00 . . . . . . A 177 GLU CA . 31070 1 1025 . 1 . 1 177 177 GLU CB C 13 29.652 0.00 . . . . . . A 177 GLU CB . 31070 1 1026 . 1 . 1 178 178 VAL H H 1 7.949 0.00 . . . . . . A 178 VAL H . 31070 1 1027 . 1 . 1 178 178 VAL C C 13 176.906 0.03 . . . . . . A 178 VAL C . 31070 1 1028 . 1 . 1 178 178 VAL CA C 13 64.245 0.01 . . . . . . A 178 VAL CA . 31070 1 1029 . 1 . 1 178 178 VAL CB C 13 32.189 0.05 . . . . . . A 178 VAL CB . 31070 1 1030 . 1 . 1 178 178 VAL N N 15 120.084 0.00 . . . . . . A 178 VAL N . 31070 1 1031 . 1 . 1 179 179 ASP H H 1 8.234 0.00 . . . . . . A 179 ASP H . 31070 1 1032 . 1 . 1 179 179 ASP C C 13 177.374 0.03 . . . . . . A 179 ASP C . 31070 1 1033 . 1 . 1 179 179 ASP CA C 13 56.103 0.07 . . . . . . A 179 ASP CA . 31070 1 1034 . 1 . 1 179 179 ASP CB C 13 41.581 0.00 . . . . . . A 179 ASP CB . 31070 1 1035 . 1 . 1 179 179 ASP N N 15 123.255 0.00 . . . . . . A 179 ASP N . 31070 1 1036 . 1 . 1 180 180 ASP H H 1 8.475 0.00 . . . . . . A 180 ASP H . 31070 1 1037 . 1 . 1 180 180 ASP C C 13 178.215 0.01 . . . . . . A 180 ASP C . 31070 1 1038 . 1 . 1 180 180 ASP CA C 13 56.564 0.07 . . . . . . A 180 ASP CA . 31070 1 1039 . 1 . 1 180 180 ASP CB C 13 41.084 0.07 . . . . . . A 180 ASP CB . 31070 1 1040 . 1 . 1 180 180 ASP N N 15 121.015 0.00 . . . . . . A 180 ASP N . 31070 1 1041 . 1 . 1 181 181 ALA H H 1 8.228 0.00 . . . . . . A 181 ALA H . 31070 1 1042 . 1 . 1 181 181 ALA HB1 H 1 1.430 0.00 . . . . . . A 181 ALA HB1 . 31070 1 1043 . 1 . 1 181 181 ALA HB2 H 1 1.430 0.00 . . . . . . A 181 ALA HB2 . 31070 1 1044 . 1 . 1 181 181 ALA HB3 H 1 1.430 0.00 . . . . . . A 181 ALA HB3 . 31070 1 1045 . 1 . 1 181 181 ALA C C 13 178.693 0.03 . . . . . . A 181 ALA C . 31070 1 1046 . 1 . 1 181 181 ALA CA C 13 55.550 0.05 . . . . . . A 181 ALA CA . 31070 1 1047 . 1 . 1 181 181 ALA CB C 13 17.942 0.04 . . . . . . A 181 ALA CB . 31070 1 1048 . 1 . 1 181 181 ALA N N 15 123.259 0.00 . . . . . . A 181 ALA N . 31070 1 1049 . 1 . 1 182 182 ALA H H 1 8.207 0.00 . . . . . . A 182 ALA H . 31070 1 1050 . 1 . 1 182 182 ALA HB1 H 1 1.364 0.00 . . . . . . A 182 ALA HB1 . 31070 1 1051 . 1 . 1 182 182 ALA HB2 H 1 1.364 0.00 . . . . . . A 182 ALA HB2 . 31070 1 1052 . 1 . 1 182 182 ALA HB3 H 1 1.364 0.00 . . . . . . A 182 ALA HB3 . 31070 1 1053 . 1 . 1 182 182 ALA C C 13 181.224 0.03 . . . . . . A 182 ALA C . 31070 1 1054 . 1 . 1 182 182 ALA CA C 13 55.620 0.02 . . . . . . A 182 ALA CA . 31070 1 1055 . 1 . 1 182 182 ALA CB C 13 18.025 0.03 . . . . . . A 182 ALA CB . 31070 1 1056 . 1 . 1 182 182 ALA N N 15 119.800 0.00 . . . . . . A 182 ALA N . 31070 1 1057 . 1 . 1 183 183 ARG H H 1 7.963 0.00 . . . . . . A 183 ARG H . 31070 1 1058 . 1 . 1 183 183 ARG C C 13 179.221 0.02 . . . . . . A 183 ARG C . 31070 1 1059 . 1 . 1 183 183 ARG CA C 13 59.546 0.11 . . . . . . A 183 ARG CA . 31070 1 1060 . 1 . 1 183 183 ARG CB C 13 29.562 0.09 . . . . . . A 183 ARG CB . 31070 1 1061 . 1 . 1 183 183 ARG N N 15 119.012 0.00 . . . . . . A 183 ARG N . 31070 1 1062 . 1 . 1 184 184 LEU H H 1 7.910 0.00 . . . . . . A 184 LEU H . 31070 1 1063 . 1 . 1 184 184 LEU HD11 H 1 0.883 0.00 . . . . . . A 184 LEU HD11 . 31070 1 1064 . 1 . 1 184 184 LEU HD12 H 1 0.883 0.00 . . . . . . A 184 LEU HD12 . 31070 1 1065 . 1 . 1 184 184 LEU HD13 H 1 0.883 0.00 . . . . . . A 184 LEU HD13 . 31070 1 1066 . 1 . 1 184 184 LEU HD21 H 1 0.866 0.00 . . . . . . A 184 LEU HD21 . 31070 1 1067 . 1 . 1 184 184 LEU HD22 H 1 0.866 0.00 . . . . . . A 184 LEU HD22 . 31070 1 1068 . 1 . 1 184 184 LEU HD23 H 1 0.866 0.00 . . . . . . A 184 LEU HD23 . 31070 1 1069 . 1 . 1 184 184 LEU C C 13 179.182 0.04 . . . . . . A 184 LEU C . 31070 1 1070 . 1 . 1 184 184 LEU CA C 13 58.388 0.02 . . . . . . A 184 LEU CA . 31070 1 1071 . 1 . 1 184 184 LEU CB C 13 41.555 0.10 . . . . . . A 184 LEU CB . 31070 1 1072 . 1 . 1 184 184 LEU CD1 C 13 25.865 0.00 . . . . . . A 184 LEU CD1 . 31070 1 1073 . 1 . 1 184 184 LEU CD2 C 13 23.568 0.00 . . . . . . A 184 LEU CD2 . 31070 1 1074 . 1 . 1 184 184 LEU N N 15 121.506 0.00 . . . . . . A 184 LEU N . 31070 1 1075 . 1 . 1 185 185 LEU H H 1 8.690 0.00 . . . . . . A 185 LEU H . 31070 1 1076 . 1 . 1 185 185 LEU HD11 H 1 0.710 0.00 . . . . . . A 185 LEU HD11 . 31070 1 1077 . 1 . 1 185 185 LEU HD12 H 1 0.710 0.00 . . . . . . A 185 LEU HD12 . 31070 1 1078 . 1 . 1 185 185 LEU HD13 H 1 0.710 0.00 . . . . . . A 185 LEU HD13 . 31070 1 1079 . 1 . 1 185 185 LEU HD21 H 1 0.716 0.00 . . . . . . A 185 LEU HD21 . 31070 1 1080 . 1 . 1 185 185 LEU HD22 H 1 0.716 0.00 . . . . . . A 185 LEU HD22 . 31070 1 1081 . 1 . 1 185 185 LEU HD23 H 1 0.716 0.00 . . . . . . A 185 LEU HD23 . 31070 1 1082 . 1 . 1 185 185 LEU C C 13 179.769 0.01 . . . . . . A 185 LEU C . 31070 1 1083 . 1 . 1 185 185 LEU CA C 13 58.487 0.03 . . . . . . A 185 LEU CA . 31070 1 1084 . 1 . 1 185 185 LEU CB C 13 40.795 0.01 . . . . . . A 185 LEU CB . 31070 1 1085 . 1 . 1 185 185 LEU CD1 C 13 25.443 0.00 . . . . . . A 185 LEU CD1 . 31070 1 1086 . 1 . 1 185 185 LEU CD2 C 13 22.177 0.00 . . . . . . A 185 LEU CD2 . 31070 1 1087 . 1 . 1 185 185 LEU N N 15 118.444 0.00 . . . . . . A 185 LEU N . 31070 1 1088 . 1 . 1 186 186 GLY H H 1 8.013 0.00 . . . . . . A 186 GLY H . 31070 1 1089 . 1 . 1 186 186 GLY C C 13 177.261 0.02 . . . . . . A 186 GLY C . 31070 1 1090 . 1 . 1 186 186 GLY CA C 13 47.543 0.00 . . . . . . A 186 GLY CA . 31070 1 1091 . 1 . 1 186 186 GLY N N 15 105.528 0.00 . . . . . . A 186 GLY N . 31070 1 1092 . 1 . 1 187 187 GLU H H 1 8.082 0.00 . . . . . . A 187 GLU H . 31070 1 1093 . 1 . 1 187 187 GLU C C 13 180.289 0.02 . . . . . . A 187 GLU C . 31070 1 1094 . 1 . 1 187 187 GLU CA C 13 59.463 0.02 . . . . . . A 187 GLU CA . 31070 1 1095 . 1 . 1 187 187 GLU CB C 13 29.003 0.01 . . . . . . A 187 GLU CB . 31070 1 1096 . 1 . 1 187 187 GLU N N 15 123.854 0.00 . . . . . . A 187 GLU N . 31070 1 1097 . 1 . 1 188 188 MET H H 1 8.613 0.00 . . . . . . A 188 MET H . 31070 1 1098 . 1 . 1 188 188 MET HE1 H 1 2.107 0.00 . . . . . . A 188 MET HE1 . 31070 1 1099 . 1 . 1 188 188 MET HE2 H 1 2.107 0.00 . . . . . . A 188 MET HE2 . 31070 1 1100 . 1 . 1 188 188 MET HE3 H 1 2.107 0.00 . . . . . . A 188 MET HE3 . 31070 1 1101 . 1 . 1 188 188 MET C C 13 179.378 0.01 . . . . . . A 188 MET C . 31070 1 1102 . 1 . 1 188 188 MET CA C 13 59.660 0.11 . . . . . . A 188 MET CA . 31070 1 1103 . 1 . 1 188 188 MET CB C 13 33.288 0.05 . . . . . . A 188 MET CB . 31070 1 1104 . 1 . 1 188 188 MET CE C 13 17.584 0.00 . . . . . . A 188 MET CE . 31070 1 1105 . 1 . 1 188 188 MET N N 15 120.661 0.00 . . . . . . A 188 MET N . 31070 1 1106 . 1 . 1 189 189 ARG H H 1 8.479 0.00 . . . . . . A 189 ARG H . 31070 1 1107 . 1 . 1 189 189 ARG C C 13 179.077 0.05 . . . . . . A 189 ARG C . 31070 1 1108 . 1 . 1 189 189 ARG CA C 13 60.554 0.03 . . . . . . A 189 ARG CA . 31070 1 1109 . 1 . 1 189 189 ARG CB C 13 29.786 0.07 . . . . . . A 189 ARG CB . 31070 1 1110 . 1 . 1 189 189 ARG N N 15 123.083 0.00 . . . . . . A 189 ARG N . 31070 1 1111 . 1 . 1 190 190 ARG H H 1 7.839 0.00 . . . . . . A 190 ARG H . 31070 1 1112 . 1 . 1 190 190 ARG C C 13 179.324 0.01 . . . . . . A 190 ARG C . 31070 1 1113 . 1 . 1 190 190 ARG CA C 13 59.826 0.01 . . . . . . A 190 ARG CA . 31070 1 1114 . 1 . 1 190 190 ARG CB C 13 29.297 0.07 . . . . . . A 190 ARG CB . 31070 1 1115 . 1 . 1 190 190 ARG N N 15 121.033 0.00 . . . . . . A 190 ARG N . 31070 1 1116 . 1 . 1 191 191 GLY H H 1 8.394 0.00 . . . . . . A 191 GLY H . 31070 1 1117 . 1 . 1 191 191 GLY C C 13 177.070 0.04 . . . . . . A 191 GLY C . 31070 1 1118 . 1 . 1 191 191 GLY CA C 13 47.556 0.01 . . . . . . A 191 GLY CA . 31070 1 1119 . 1 . 1 191 191 GLY N N 15 107.907 0.00 . . . . . . A 191 GLY N . 31070 1 1120 . 1 . 1 192 192 CYS H H 1 8.143 0.00 . . . . . . A 192 CYS H . 31070 1 1121 . 1 . 1 192 192 CYS C C 13 178.485 0.00 . . . . . . A 192 CYS C . 31070 1 1122 . 1 . 1 192 192 CYS CA C 13 63.123 0.06 . . . . . . A 192 CYS CA . 31070 1 1123 . 1 . 1 192 192 CYS CB C 13 26.438 0.07 . . . . . . A 192 CYS CB . 31070 1 1124 . 1 . 1 192 192 CYS N N 15 121.302 0.00 . . . . . . A 192 CYS N . 31070 1 1125 . 1 . 1 193 193 GLN H H 1 7.950 0.00 . . . . . . A 193 GLN H . 31070 1 1126 . 1 . 1 193 193 GLN C C 13 178.548 0.03 . . . . . . A 193 GLN C . 31070 1 1127 . 1 . 1 193 193 GLN CA C 13 59.502 0.04 . . . . . . A 193 GLN CA . 31070 1 1128 . 1 . 1 193 193 GLN CB C 13 27.586 0.04 . . . . . . A 193 GLN CB . 31070 1 1129 . 1 . 1 193 193 GLN N N 15 121.942 0.00 . . . . . . A 193 GLN N . 31070 1 1130 . 1 . 1 194 194 GLN H H 1 8.659 0.00 . . . . . . A 194 GLN H . 31070 1 1131 . 1 . 1 194 194 GLN C C 13 178.406 0.01 . . . . . . A 194 GLN C . 31070 1 1132 . 1 . 1 194 194 GLN CA C 13 59.137 0.03 . . . . . . A 194 GLN CA . 31070 1 1133 . 1 . 1 194 194 GLN CB C 13 28.144 0.05 . . . . . . A 194 GLN CB . 31070 1 1134 . 1 . 1 194 194 GLN N N 15 119.815 0.00 . . . . . . A 194 GLN N . 31070 1 1135 . 1 . 1 195 195 ALA H H 1 8.227 0.00 . . . . . . A 195 ALA H . 31070 1 1136 . 1 . 1 195 195 ALA HB1 H 1 1.550 0.00 . . . . . . A 195 ALA HB1 . 31070 1 1137 . 1 . 1 195 195 ALA HB2 H 1 1.550 0.00 . . . . . . A 195 ALA HB2 . 31070 1 1138 . 1 . 1 195 195 ALA HB3 H 1 1.550 0.00 . . . . . . A 195 ALA HB3 . 31070 1 1139 . 1 . 1 195 195 ALA C C 13 178.269 0.01 . . . . . . A 195 ALA C . 31070 1 1140 . 1 . 1 195 195 ALA CA C 13 55.628 0.04 . . . . . . A 195 ALA CA . 31070 1 1141 . 1 . 1 195 195 ALA CB C 13 17.873 0.05 . . . . . . A 195 ALA CB . 31070 1 1142 . 1 . 1 195 195 ALA N N 15 120.074 0.00 . . . . . . A 195 ALA N . 31070 1 1143 . 1 . 1 196 196 GLU H H 1 7.512 0.00 . . . . . . A 196 GLU H . 31070 1 1144 . 1 . 1 196 196 GLU C C 13 177.067 0.00 . . . . . . A 196 GLU C . 31070 1 1145 . 1 . 1 196 196 GLU CA C 13 58.614 0.07 . . . . . . A 196 GLU CA . 31070 1 1146 . 1 . 1 196 196 GLU CB C 13 27.330 0.04 . . . . . . A 196 GLU CB . 31070 1 1147 . 1 . 1 196 196 GLU N N 15 118.068 0.00 . . . . . . A 196 GLU N . 31070 1 1148 . 1 . 1 197 197 GLU H H 1 7.706 0.00 . . . . . . A 197 GLU H . 31070 1 1149 . 1 . 1 197 197 GLU C C 13 179.324 0.02 . . . . . . A 197 GLU C . 31070 1 1150 . 1 . 1 197 197 GLU CA C 13 59.696 0.13 . . . . . . A 197 GLU CA . 31070 1 1151 . 1 . 1 197 197 GLU CB C 13 29.383 0.02 . . . . . . A 197 GLU CB . 31070 1 1152 . 1 . 1 197 197 GLU N N 15 116.809 0.00 . . . . . . A 197 GLU N . 31070 1 1153 . 1 . 1 198 198 GLN H H 1 8.293 0.00 . . . . . . A 198 GLN H . 31070 1 1154 . 1 . 1 198 198 GLN C C 13 179.077 0.04 . . . . . . A 198 GLN C . 31070 1 1155 . 1 . 1 198 198 GLN CA C 13 59.519 0.05 . . . . . . A 198 GLN CA . 31070 1 1156 . 1 . 1 198 198 GLN CB C 13 29.773 0.02 . . . . . . A 198 GLN CB . 31070 1 1157 . 1 . 1 198 198 GLN N N 15 117.408 0.00 . . . . . . A 198 GLN N . 31070 1 1158 . 1 . 1 199 199 LEU H H 1 8.744 0.00 . . . . . . A 199 LEU H . 31070 1 1159 . 1 . 1 199 199 LEU HD11 H 1 0.673 0.00 . . . . . . A 199 LEU HD11 . 31070 1 1160 . 1 . 1 199 199 LEU HD12 H 1 0.673 0.00 . . . . . . A 199 LEU HD12 . 31070 1 1161 . 1 . 1 199 199 LEU HD13 H 1 0.673 0.00 . . . . . . A 199 LEU HD13 . 31070 1 1162 . 1 . 1 199 199 LEU HD21 H 1 0.736 0.00 . . . . . . A 199 LEU HD21 . 31070 1 1163 . 1 . 1 199 199 LEU HD22 H 1 0.736 0.00 . . . . . . A 199 LEU HD22 . 31070 1 1164 . 1 . 1 199 199 LEU HD23 H 1 0.736 0.00 . . . . . . A 199 LEU HD23 . 31070 1 1165 . 1 . 1 199 199 LEU C C 13 178.788 0.05 . . . . . . A 199 LEU C . 31070 1 1166 . 1 . 1 199 199 LEU CA C 13 58.171 0.02 . . . . . . A 199 LEU CA . 31070 1 1167 . 1 . 1 199 199 LEU CB C 13 40.633 0.02 . . . . . . A 199 LEU CB . 31070 1 1168 . 1 . 1 199 199 LEU CD1 C 13 25.328 0.00 . . . . . . A 199 LEU CD1 . 31070 1 1169 . 1 . 1 199 199 LEU CD2 C 13 21.829 0.00 . . . . . . A 199 LEU CD2 . 31070 1 1170 . 1 . 1 199 199 LEU N N 15 118.527 0.00 . . . . . . A 199 LEU N . 31070 1 1171 . 1 . 1 200 200 LYS H H 1 8.509 0.00 . . . . . . A 200 LYS H . 31070 1 1172 . 1 . 1 200 200 LYS C C 13 178.191 0.05 . . . . . . A 200 LYS C . 31070 1 1173 . 1 . 1 200 200 LYS CA C 13 60.439 0.01 . . . . . . A 200 LYS CA . 31070 1 1174 . 1 . 1 200 200 LYS CB C 13 31.737 0.07 . . . . . . A 200 LYS CB . 31070 1 1175 . 1 . 1 200 200 LYS N N 15 118.644 0.00 . . . . . . A 200 LYS N . 31070 1 1176 . 1 . 1 201 201 MET H H 1 7.427 0.00 . . . . . . A 201 MET H . 31070 1 1177 . 1 . 1 201 201 MET HE1 H 1 2.133 0.00 . . . . . . A 201 MET HE1 . 31070 1 1178 . 1 . 1 201 201 MET HE2 H 1 2.133 0.00 . . . . . . A 201 MET HE2 . 31070 1 1179 . 1 . 1 201 201 MET HE3 H 1 2.133 0.00 . . . . . . A 201 MET HE3 . 31070 1 1180 . 1 . 1 201 201 MET C C 13 178.441 0.02 . . . . . . A 201 MET C . 31070 1 1181 . 1 . 1 201 201 MET CA C 13 58.950 0.10 . . . . . . A 201 MET CA . 31070 1 1182 . 1 . 1 201 201 MET CB C 13 32.205 0.04 . . . . . . A 201 MET CB . 31070 1 1183 . 1 . 1 201 201 MET CE C 13 16.970 0.00 . . . . . . A 201 MET CE . 31070 1 1184 . 1 . 1 201 201 MET N N 15 115.688 0.00 . . . . . . A 201 MET N . 31070 1 1185 . 1 . 1 202 202 LEU H H 1 7.434 0.00 . . . . . . A 202 LEU H . 31070 1 1186 . 1 . 1 202 202 LEU HD11 H 1 0.932 0.00 . . . . . . A 202 LEU HD11 . 31070 1 1187 . 1 . 1 202 202 LEU HD12 H 1 0.932 0.00 . . . . . . A 202 LEU HD12 . 31070 1 1188 . 1 . 1 202 202 LEU HD13 H 1 0.932 0.00 . . . . . . A 202 LEU HD13 . 31070 1 1189 . 1 . 1 202 202 LEU HD21 H 1 0.852 0.00 . . . . . . A 202 LEU HD21 . 31070 1 1190 . 1 . 1 202 202 LEU HD22 H 1 0.852 0.00 . . . . . . A 202 LEU HD22 . 31070 1 1191 . 1 . 1 202 202 LEU HD23 H 1 0.852 0.00 . . . . . . A 202 LEU HD23 . 31070 1 1192 . 1 . 1 202 202 LEU C C 13 178.480 0.01 . . . . . . A 202 LEU C . 31070 1 1193 . 1 . 1 202 202 LEU CA C 13 59.198 0.01 . . . . . . A 202 LEU CA . 31070 1 1194 . 1 . 1 202 202 LEU CB C 13 41.860 0.01 . . . . . . A 202 LEU CB . 31070 1 1195 . 1 . 1 202 202 LEU CD1 C 13 25.337 0.00 . . . . . . A 202 LEU CD1 . 31070 1 1196 . 1 . 1 202 202 LEU CD2 C 13 24.904 0.00 . . . . . . A 202 LEU CD2 . 31070 1 1197 . 1 . 1 202 202 LEU N N 15 119.555 0.00 . . . . . . A 202 LEU N . 31070 1 1198 . 1 . 1 203 203 ILE H H 1 7.317 0.00 . . . . . . A 203 ILE H . 31070 1 1199 . 1 . 1 203 203 ILE HD11 H 1 0.747 0.00 . . . . . . A 203 ILE HD11 . 31070 1 1200 . 1 . 1 203 203 ILE HD12 H 1 0.747 0.00 . . . . . . A 203 ILE HD12 . 31070 1 1201 . 1 . 1 203 203 ILE HD13 H 1 0.747 0.00 . . . . . . A 203 ILE HD13 . 31070 1 1202 . 1 . 1 203 203 ILE C C 13 178.235 0.00 . . . . . . A 203 ILE C . 31070 1 1203 . 1 . 1 203 203 ILE CA C 13 62.841 0.03 . . . . . . A 203 ILE CA . 31070 1 1204 . 1 . 1 203 203 ILE CB C 13 37.169 0.02 . . . . . . A 203 ILE CB . 31070 1 1205 . 1 . 1 203 203 ILE CD1 C 13 12.402 0.00 . . . . . . A 203 ILE CD1 . 31070 1 1206 . 1 . 1 203 203 ILE N N 15 116.366 0.00 . . . . . . A 203 ILE N . 31070 1 1207 . 1 . 1 204 204 ASP H H 1 8.351 0.00 . . . . . . A 204 ASP H . 31070 1 1208 . 1 . 1 204 204 ASP C C 13 177.801 0.07 . . . . . . A 204 ASP C . 31070 1 1209 . 1 . 1 204 204 ASP CA C 13 56.531 0.00 . . . . . . A 204 ASP CA . 31070 1 1210 . 1 . 1 204 204 ASP CB C 13 40.618 0.04 . . . . . . A 204 ASP CB . 31070 1 1211 . 1 . 1 204 204 ASP N N 15 120.436 0.00 . . . . . . A 204 ASP N . 31070 1 1212 . 1 . 1 205 205 TYR H H 1 7.841 0.00 . . . . . . A 205 TYR H . 31070 1 1213 . 1 . 1 205 205 TYR HD1 H 1 7.064 0.00 . . . . . . A 205 TYR HD1 . 31070 1 1214 . 1 . 1 205 205 TYR HD2 H 1 7.064 0.00 . . . . . . A 205 TYR HD2 . 31070 1 1215 . 1 . 1 205 205 TYR HE1 H 1 6.535 0.00 . . . . . . A 205 TYR HE1 . 31070 1 1216 . 1 . 1 205 205 TYR HE2 H 1 6.535 0.00 . . . . . . A 205 TYR HE2 . 31070 1 1217 . 1 . 1 205 205 TYR C C 13 176.921 0.07 . . . . . . A 205 TYR C . 31070 1 1218 . 1 . 1 205 205 TYR CA C 13 60.608 0.00 . . . . . . A 205 TYR CA . 31070 1 1219 . 1 . 1 205 205 TYR CB C 13 38.079 0.08 . . . . . . A 205 TYR CB . 31070 1 1220 . 1 . 1 205 205 TYR CD1 C 13 133.202 0.00 . . . . . . A 205 TYR CD1 . 31070 1 1221 . 1 . 1 205 205 TYR CD2 C 13 133.202 0.00 . . . . . . A 205 TYR CD2 . 31070 1 1222 . 1 . 1 205 205 TYR CE1 C 13 117.978 0.00 . . . . . . A 205 TYR CE1 . 31070 1 1223 . 1 . 1 205 205 TYR CE2 C 13 117.978 0.00 . . . . . . A 205 TYR CE2 . 31070 1 1224 . 1 . 1 205 205 TYR N N 15 120.429 0.00 . . . . . . A 205 TYR N . 31070 1 1225 . 1 . 1 206 206 GLN H H 1 8.033 0.00 . . . . . . A 206 GLN H . 31070 1 1226 . 1 . 1 206 206 GLN C C 13 176.149 0.00 . . . . . . A 206 GLN C . 31070 1 1227 . 1 . 1 206 206 GLN CA C 13 57.310 0.00 . . . . . . A 206 GLN CA . 31070 1 1228 . 1 . 1 206 206 GLN CB C 13 28.764 0.00 . . . . . . A 206 GLN CB . 31070 1 1229 . 1 . 1 206 206 GLN N N 15 121.118 0.00 . . . . . . A 206 GLN N . 31070 1 1230 . 1 . 1 209 209 TYR H H 1 8.059 0.00 . . . . . . A 209 TYR H . 31070 1 1231 . 1 . 1 209 209 TYR HD1 H 1 6.923 0.00 . . . . . . A 209 TYR HD1 . 31070 1 1232 . 1 . 1 209 209 TYR HD2 H 1 6.923 0.00 . . . . . . A 209 TYR HD2 . 31070 1 1233 . 1 . 1 209 209 TYR HE1 H 1 6.690 0.00 . . . . . . A 209 TYR HE1 . 31070 1 1234 . 1 . 1 209 209 TYR HE2 H 1 6.690 0.00 . . . . . . A 209 TYR HE2 . 31070 1 1235 . 1 . 1 209 209 TYR CA C 13 58.552 0.14 . . . . . . A 209 TYR CA . 31070 1 1236 . 1 . 1 209 209 TYR CB C 13 38.089 0.00 . . . . . . A 209 TYR CB . 31070 1 1237 . 1 . 1 209 209 TYR CD1 C 13 132.978 0.00 . . . . . . A 209 TYR CD1 . 31070 1 1238 . 1 . 1 209 209 TYR CD2 C 13 132.978 0.00 . . . . . . A 209 TYR CD2 . 31070 1 1239 . 1 . 1 209 209 TYR CE1 C 13 118.072 0.00 . . . . . . A 209 TYR CE1 . 31070 1 1240 . 1 . 1 209 209 TYR CE2 C 13 118.072 0.00 . . . . . . A 209 TYR CE2 . 31070 1 1241 . 1 . 1 209 209 TYR N N 15 119.138 0.00 . . . . . . A 209 TYR N . 31070 1 1242 . 1 . 1 211 211 SER CA C 13 58.579 0.00 . . . . . . A 211 SER CA . 31070 1 1243 . 1 . 1 211 211 SER CB C 13 60.212 0.00 . . . . . . A 211 SER CB . 31070 1 1244 . 1 . 1 212 212 ASN H H 1 8.033 0.00 . . . . . . A 212 ASN H . 31070 1 1245 . 1 . 1 212 212 ASN C C 13 174.760 0.02 . . . . . . A 212 ASN C . 31070 1 1246 . 1 . 1 212 212 ASN CA C 13 54.535 0.03 . . . . . . A 212 ASN CA . 31070 1 1247 . 1 . 1 212 212 ASN CB C 13 38.986 0.16 . . . . . . A 212 ASN CB . 31070 1 1248 . 1 . 1 212 212 ASN N N 15 117.194 0.00 . . . . . . A 212 ASN N . 31070 1 1249 . 1 . 1 213 213 LEU H H 1 7.999 0.00 . . . . . . A 213 LEU H . 31070 1 1250 . 1 . 1 213 213 LEU C C 13 176.171 0.05 . . . . . . A 213 LEU C . 31070 1 1251 . 1 . 1 213 213 LEU CA C 13 55.392 0.06 . . . . . . A 213 LEU CA . 31070 1 1252 . 1 . 1 213 213 LEU CB C 13 42.108 0.01 . . . . . . A 213 LEU CB . 31070 1 1253 . 1 . 1 213 213 LEU N N 15 121.614 0.00 . . . . . . A 213 LEU N . 31070 1 1254 . 1 . 1 214 214 ASN H H 1 7.847 0.00 . . . . . . A 214 ASN H . 31070 1 1255 . 1 . 1 214 214 ASN C C 13 179.364 0.00 . . . . . . A 214 ASN C . 31070 1 1256 . 1 . 1 214 214 ASN CA C 13 55.336 0.00 . . . . . . A 214 ASN CA . 31070 1 1257 . 1 . 1 214 214 ASN CB C 13 40.729 0.00 . . . . . . A 214 ASN CB . 31070 1 1258 . 1 . 1 214 214 ASN N N 15 123.997 0.00 . . . . . . A 214 ASN N . 31070 1 stop_ save_