data_19239 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19239 _Entry.Title ; 2C TCR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-05-14 _Entry.Accession_date 2013-05-14 _Entry.Last_release_date 2013-07-23 _Entry.Original_release_date 2013-07-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bill Hawse . . . 19239 2 Brian Baker . . . 19239 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19239 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 543 19239 '15N chemical shifts' 188 19239 '1H chemical shifts' 188 19239 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 . . 2013-07-23 2013-05-14 original author . 19239 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19239 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Assigned Chemical Shifts for the mini 2C TCR' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 WIlliam Hawse . . . 19239 1 2 Brian Baker . . . 19239 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19239 _Assembly.ID 1 _Assembly.Name '2c TCR' _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 2c_TCR 1 $2c_TCR A . yes native no no . . . 19239 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_2c_TCR _Entity.Sf_category entity _Entity.Sf_framecode 2c_TCR _Entity.Entry_ID 19239 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 2c_TCR _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; EAAVTQSPRNKVAVTGEKVT LSCNQTNNHNNMYWYRQDTG HELRLIHYSYGAGSTEKGDI PDGYKASRPSQENFSLTLES ATPSQTSVYFCASGGGGTLY FGAGTRLSVLSSADDAKKDA AKKDDAKKDDAKKDAQSVTQ PDARVTVSEGASLQLRCKYS YSATPYLFWYVQYPRQGPQL LLKYYSGDPVVQGVNGFEAE FSKSNSSFHLRKASVHRSDS AVYFCAVSGFASALTFGSGT KVIVLPYN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 248 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLU . 19239 1 2 . ALA . 19239 1 3 . ALA . 19239 1 4 . VAL . 19239 1 5 . THR . 19239 1 6 . GLN . 19239 1 7 . SER . 19239 1 8 . PRO . 19239 1 9 . ARG . 19239 1 10 . ASN . 19239 1 11 . LYS . 19239 1 12 . VAL . 19239 1 13 . ALA . 19239 1 14 . VAL . 19239 1 15 . THR . 19239 1 16 . GLY . 19239 1 17 . GLU . 19239 1 18 . LYS . 19239 1 19 . VAL . 19239 1 20 . THR . 19239 1 21 . LEU . 19239 1 22 . SER . 19239 1 23 . CYS . 19239 1 24 . ASN . 19239 1 25 . GLN . 19239 1 26 . THR . 19239 1 27 . ASN . 19239 1 28 . ASN . 19239 1 29 . HIS . 19239 1 30 . ASN . 19239 1 31 . ASN . 19239 1 32 . MET . 19239 1 33 . TYR . 19239 1 34 . TRP . 19239 1 35 . TYR . 19239 1 36 . ARG . 19239 1 37 . GLN . 19239 1 38 . ASP . 19239 1 39 . THR . 19239 1 40 . GLY . 19239 1 41 . HIS . 19239 1 42 . GLU . 19239 1 43 . LEU . 19239 1 44 . ARG . 19239 1 45 . LEU . 19239 1 46 . ILE . 19239 1 47 . HIS . 19239 1 48 . TYR . 19239 1 49 . SER . 19239 1 50 . TYR . 19239 1 51 . GLY . 19239 1 52 . ALA . 19239 1 53 . GLY . 19239 1 54 . SER . 19239 1 55 . THR . 19239 1 56 . GLU . 19239 1 57 . LYS . 19239 1 58 . GLY . 19239 1 59 . ASP . 19239 1 60 . ILE . 19239 1 61 . PRO . 19239 1 62 . ASP . 19239 1 63 . GLY . 19239 1 64 . TYR . 19239 1 65 . LYS . 19239 1 66 . ALA . 19239 1 67 . SER . 19239 1 68 . ARG . 19239 1 69 . PRO . 19239 1 70 . SER . 19239 1 71 . GLN . 19239 1 72 . GLU . 19239 1 73 . ASN . 19239 1 74 . PHE . 19239 1 75 . SER . 19239 1 76 . LEU . 19239 1 77 . THR . 19239 1 78 . LEU . 19239 1 79 . GLU . 19239 1 80 . SER . 19239 1 81 . ALA . 19239 1 82 . THR . 19239 1 83 . PRO . 19239 1 84 . SER . 19239 1 85 . GLN . 19239 1 86 . THR . 19239 1 87 . SER . 19239 1 88 . VAL . 19239 1 89 . TYR . 19239 1 90 . PHE . 19239 1 91 . CYS . 19239 1 92 . ALA . 19239 1 93 . SER . 19239 1 94 . GLY . 19239 1 95 . GLY . 19239 1 96 . GLY . 19239 1 97 . GLY . 19239 1 98 . THR . 19239 1 99 . LEU . 19239 1 100 . TYR . 19239 1 101 . PHE . 19239 1 102 . GLY . 19239 1 103 . ALA . 19239 1 104 . GLY . 19239 1 105 . THR . 19239 1 106 . ARG . 19239 1 107 . LEU . 19239 1 108 . SER . 19239 1 109 . VAL . 19239 1 110 . LEU . 19239 1 111 . SER . 19239 1 112 . SER . 19239 1 113 . ALA . 19239 1 114 . ASP . 19239 1 115 . ASP . 19239 1 116 . ALA . 19239 1 117 . LYS . 19239 1 118 . LYS . 19239 1 119 . ASP . 19239 1 120 . ALA . 19239 1 121 . ALA . 19239 1 122 . LYS . 19239 1 123 . LYS . 19239 1 124 . ASP . 19239 1 125 . ASP . 19239 1 126 . ALA . 19239 1 127 . LYS . 19239 1 128 . LYS . 19239 1 129 . ASP . 19239 1 130 . ASP . 19239 1 131 . ALA . 19239 1 132 . LYS . 19239 1 133 . LYS . 19239 1 134 . ASP . 19239 1 135 . ALA . 19239 1 136 . GLN . 19239 1 137 . SER . 19239 1 138 . VAL . 19239 1 139 . THR . 19239 1 140 . GLN . 19239 1 141 . PRO . 19239 1 142 . ASP . 19239 1 143 . ALA . 19239 1 144 . ARG . 19239 1 145 . VAL . 19239 1 146 . THR . 19239 1 147 . VAL . 19239 1 148 . SER . 19239 1 149 . GLU . 19239 1 150 . GLY . 19239 1 151 . ALA . 19239 1 152 . SER . 19239 1 153 . LEU . 19239 1 154 . GLN . 19239 1 155 . LEU . 19239 1 156 . ARG . 19239 1 157 . CYS . 19239 1 158 . LYS . 19239 1 159 . TYR . 19239 1 160 . SER . 19239 1 161 . TYR . 19239 1 162 . SER . 19239 1 163 . ALA . 19239 1 164 . THR . 19239 1 165 . PRO . 19239 1 166 . TYR . 19239 1 167 . LEU . 19239 1 168 . PHE . 19239 1 169 . TRP . 19239 1 170 . TYR . 19239 1 171 . VAL . 19239 1 172 . GLN . 19239 1 173 . TYR . 19239 1 174 . PRO . 19239 1 175 . ARG . 19239 1 176 . GLN . 19239 1 177 . GLY . 19239 1 178 . PRO . 19239 1 179 . GLN . 19239 1 180 . LEU . 19239 1 181 . LEU . 19239 1 182 . LEU . 19239 1 183 . LYS . 19239 1 184 . TYR . 19239 1 185 . TYR . 19239 1 186 . SER . 19239 1 187 . GLY . 19239 1 188 . ASP . 19239 1 189 . PRO . 19239 1 190 . VAL . 19239 1 191 . VAL . 19239 1 192 . GLN . 19239 1 193 . GLY . 19239 1 194 . VAL . 19239 1 195 . ASN . 19239 1 196 . GLY . 19239 1 197 . PHE . 19239 1 198 . GLU . 19239 1 199 . ALA . 19239 1 200 . GLU . 19239 1 201 . PHE . 19239 1 202 . SER . 19239 1 203 . LYS . 19239 1 204 . SER . 19239 1 205 . ASN . 19239 1 206 . SER . 19239 1 207 . SER . 19239 1 208 . PHE . 19239 1 209 . HIS . 19239 1 210 . LEU . 19239 1 211 . ARG . 19239 1 212 . LYS . 19239 1 213 . ALA . 19239 1 214 . SER . 19239 1 215 . VAL . 19239 1 216 . HIS . 19239 1 217 . ARG . 19239 1 218 . SER . 19239 1 219 . ASP . 19239 1 220 . SER . 19239 1 221 . ALA . 19239 1 222 . VAL . 19239 1 223 . TYR . 19239 1 224 . PHE . 19239 1 225 . CYS . 19239 1 226 . ALA . 19239 1 227 . VAL . 19239 1 228 . SER . 19239 1 229 . GLY . 19239 1 230 . PHE . 19239 1 231 . ALA . 19239 1 232 . SER . 19239 1 233 . ALA . 19239 1 234 . LEU . 19239 1 235 . THR . 19239 1 236 . PHE . 19239 1 237 . GLY . 19239 1 238 . SER . 19239 1 239 . GLY . 19239 1 240 . THR . 19239 1 241 . LYS . 19239 1 242 . VAL . 19239 1 243 . ILE . 19239 1 244 . VAL . 19239 1 245 . LEU . 19239 1 246 . PRO . 19239 1 247 . TYR . 19239 1 248 . ASN . 19239 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 . GLU 1 1 19239 1 . ALA 2 2 19239 1 . ALA 3 3 19239 1 . VAL 4 4 19239 1 . THR 5 5 19239 1 . GLN 6 6 19239 1 . SER 7 7 19239 1 . PRO 8 8 19239 1 . ARG 9 9 19239 1 . ASN 10 10 19239 1 . LYS 11 11 19239 1 . VAL 12 12 19239 1 . ALA 13 13 19239 1 . VAL 14 14 19239 1 . THR 15 15 19239 1 . GLY 16 16 19239 1 . GLU 17 17 19239 1 . LYS 18 18 19239 1 . VAL 19 19 19239 1 . THR 20 20 19239 1 . LEU 21 21 19239 1 . SER 22 22 19239 1 . CYS 23 23 19239 1 . ASN 24 24 19239 1 . GLN 25 25 19239 1 . THR 26 26 19239 1 . ASN 27 27 19239 1 . ASN 28 28 19239 1 . HIS 29 29 19239 1 . ASN 30 30 19239 1 . ASN 31 31 19239 1 . MET 32 32 19239 1 . TYR 33 33 19239 1 . TRP 34 34 19239 1 . TYR 35 35 19239 1 . ARG 36 36 19239 1 . GLN 37 37 19239 1 . ASP 38 38 19239 1 . THR 39 39 19239 1 . GLY 40 40 19239 1 . HIS 41 41 19239 1 . GLU 42 42 19239 1 . LEU 43 43 19239 1 . ARG 44 44 19239 1 . LEU 45 45 19239 1 . ILE 46 46 19239 1 . HIS 47 47 19239 1 . TYR 48 48 19239 1 . SER 49 49 19239 1 . TYR 50 50 19239 1 . GLY 51 51 19239 1 . ALA 52 52 19239 1 . GLY 53 53 19239 1 . SER 54 54 19239 1 . THR 55 55 19239 1 . GLU 56 56 19239 1 . LYS 57 57 19239 1 . GLY 58 58 19239 1 . ASP 59 59 19239 1 . ILE 60 60 19239 1 . PRO 61 61 19239 1 . ASP 62 62 19239 1 . GLY 63 63 19239 1 . TYR 64 64 19239 1 . LYS 65 65 19239 1 . ALA 66 66 19239 1 . SER 67 67 19239 1 . ARG 68 68 19239 1 . PRO 69 69 19239 1 . SER 70 70 19239 1 . GLN 71 71 19239 1 . GLU 72 72 19239 1 . ASN 73 73 19239 1 . PHE 74 74 19239 1 . SER 75 75 19239 1 . LEU 76 76 19239 1 . THR 77 77 19239 1 . LEU 78 78 19239 1 . GLU 79 79 19239 1 . SER 80 80 19239 1 . ALA 81 81 19239 1 . THR 82 82 19239 1 . PRO 83 83 19239 1 . SER 84 84 19239 1 . GLN 85 85 19239 1 . THR 86 86 19239 1 . SER 87 87 19239 1 . VAL 88 88 19239 1 . TYR 89 89 19239 1 . PHE 90 90 19239 1 . CYS 91 91 19239 1 . ALA 92 92 19239 1 . SER 93 93 19239 1 . GLY 94 94 19239 1 . GLY 95 95 19239 1 . GLY 96 96 19239 1 . GLY 97 97 19239 1 . THR 98 98 19239 1 . LEU 99 99 19239 1 . TYR 100 100 19239 1 . PHE 101 101 19239 1 . GLY 102 102 19239 1 . ALA 103 103 19239 1 . GLY 104 104 19239 1 . THR 105 105 19239 1 . ARG 106 106 19239 1 . LEU 107 107 19239 1 . SER 108 108 19239 1 . VAL 109 109 19239 1 . LEU 110 110 19239 1 . SER 111 111 19239 1 . SER 112 112 19239 1 . ALA 113 113 19239 1 . ASP 114 114 19239 1 . ASP 115 115 19239 1 . ALA 116 116 19239 1 . LYS 117 117 19239 1 . LYS 118 118 19239 1 . ASP 119 119 19239 1 . ALA 120 120 19239 1 . ALA 121 121 19239 1 . LYS 122 122 19239 1 . LYS 123 123 19239 1 . ASP 124 124 19239 1 . ASP 125 125 19239 1 . ALA 126 126 19239 1 . LYS 127 127 19239 1 . LYS 128 128 19239 1 . ASP 129 129 19239 1 . ASP 130 130 19239 1 . ALA 131 131 19239 1 . LYS 132 132 19239 1 . LYS 133 133 19239 1 . ASP 134 134 19239 1 . ALA 135 135 19239 1 . GLN 136 136 19239 1 . SER 137 137 19239 1 . VAL 138 138 19239 1 . THR 139 139 19239 1 . GLN 140 140 19239 1 . PRO 141 141 19239 1 . ASP 142 142 19239 1 . ALA 143 143 19239 1 . ARG 144 144 19239 1 . VAL 145 145 19239 1 . THR 146 146 19239 1 . VAL 147 147 19239 1 . SER 148 148 19239 1 . GLU 149 149 19239 1 . GLY 150 150 19239 1 . ALA 151 151 19239 1 . SER 152 152 19239 1 . LEU 153 153 19239 1 . GLN 154 154 19239 1 . LEU 155 155 19239 1 . ARG 156 156 19239 1 . CYS 157 157 19239 1 . LYS 158 158 19239 1 . TYR 159 159 19239 1 . SER 160 160 19239 1 . TYR 161 161 19239 1 . SER 162 162 19239 1 . ALA 163 163 19239 1 . THR 164 164 19239 1 . PRO 165 165 19239 1 . TYR 166 166 19239 1 . LEU 167 167 19239 1 . PHE 168 168 19239 1 . TRP 169 169 19239 1 . TYR 170 170 19239 1 . VAL 171 171 19239 1 . GLN 172 172 19239 1 . TYR 173 173 19239 1 . PRO 174 174 19239 1 . ARG 175 175 19239 1 . GLN 176 176 19239 1 . GLY 177 177 19239 1 . PRO 178 178 19239 1 . GLN 179 179 19239 1 . LEU 180 180 19239 1 . LEU 181 181 19239 1 . LEU 182 182 19239 1 . LYS 183 183 19239 1 . TYR 184 184 19239 1 . TYR 185 185 19239 1 . SER 186 186 19239 1 . GLY 187 187 19239 1 . ASP 188 188 19239 1 . PRO 189 189 19239 1 . VAL 190 190 19239 1 . VAL 191 191 19239 1 . GLN 192 192 19239 1 . GLY 193 193 19239 1 . VAL 194 194 19239 1 . ASN 195 195 19239 1 . GLY 196 196 19239 1 . PHE 197 197 19239 1 . GLU 198 198 19239 1 . ALA 199 199 19239 1 . GLU 200 200 19239 1 . PHE 201 201 19239 1 . SER 202 202 19239 1 . LYS 203 203 19239 1 . SER 204 204 19239 1 . ASN 205 205 19239 1 . SER 206 206 19239 1 . SER 207 207 19239 1 . PHE 208 208 19239 1 . HIS 209 209 19239 1 . LEU 210 210 19239 1 . ARG 211 211 19239 1 . LYS 212 212 19239 1 . ALA 213 213 19239 1 . SER 214 214 19239 1 . VAL 215 215 19239 1 . HIS 216 216 19239 1 . ARG 217 217 19239 1 . SER 218 218 19239 1 . ASP 219 219 19239 1 . SER 220 220 19239 1 . ALA 221 221 19239 1 . VAL 222 222 19239 1 . TYR 223 223 19239 1 . PHE 224 224 19239 1 . CYS 225 225 19239 1 . ALA 226 226 19239 1 . VAL 227 227 19239 1 . SER 228 228 19239 1 . GLY 229 229 19239 1 . PHE 230 230 19239 1 . ALA 231 231 19239 1 . SER 232 232 19239 1 . ALA 233 233 19239 1 . LEU 234 234 19239 1 . THR 235 235 19239 1 . PHE 236 236 19239 1 . GLY 237 237 19239 1 . SER 238 238 19239 1 . GLY 239 239 19239 1 . THR 240 240 19239 1 . LYS 241 241 19239 1 . VAL 242 242 19239 1 . ILE 243 243 19239 1 . VAL 244 244 19239 1 . LEU 245 245 19239 1 . PRO 246 246 19239 1 . TYR 247 247 19239 1 . ASN 248 248 19239 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 19239 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $2c_TCR . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 19239 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 19239 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $2c_TCR . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pet28a . . . . . . 19239 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19239 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '2c TCR' '[U-99% 13C; U-99% 15N]' . . 1 $2c_TCR . . 0.6 . . mM . . . . 19239 1 2 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 19239 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 19239 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19239 1 5 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19239 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19239 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 19239 1 pH 7.5 . pH 19239 1 pressure 1 . atm 19239 1 temperature 298 . K 19239 1 stop_ save_ ############################ # Computer software used # ############################ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 19239 _Software.ID 1 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 19239 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19239 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19239 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19239 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19239 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19239 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19239 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19239 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19239 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19239 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19239 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 19239 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19239 1 2 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19239 1 3 '3D HNCA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19239 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19239 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19239 1 6 '3D HN(CO)CA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19239 1 7 '3D HCACO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19239 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19239 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode ref _Chem_shift_reference.Entry_ID 19239 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19239 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19239 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19239 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19239 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $ref _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19239 1 2 '3D HNCO' . . . 19239 1 3 '3D HNCA' . . . 19239 1 4 '3D CBCA(CO)NH' . . . 19239 1 5 '3D HNCACB' . . . 19239 1 6 '3D HN(CO)CA' . . . 19239 1 7 '3D HCACO' . . . 19239 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ALA H H 1 8.066 0.02 . 1 . . . . 3 ALA H . 19239 1 2 . 1 1 3 3 ALA C C 13 173.532 0.3 . 1 . . . . 3 ALA C . 19239 1 3 . 1 1 3 3 ALA CA C 13 49.553 0.3 . 1 . . . . 3 ALA CA . 19239 1 4 . 1 1 3 3 ALA CB C 13 16.652 0.3 . 1 . . . . 3 ALA CB . 19239 1 5 . 1 1 3 3 ALA N N 15 125.579 0.3 . 1 . . . . 3 ALA N . 19239 1 6 . 1 1 4 4 VAL H H 1 7.771 0.02 . 1 . . . . 4 VAL H . 19239 1 7 . 1 1 4 4 VAL C C 13 173.556 0.3 . 1 . . . . 4 VAL C . 19239 1 8 . 1 1 4 4 VAL CA C 13 58.214 0.3 . 1 . . . . 4 VAL CA . 19239 1 9 . 1 1 4 4 VAL CB C 13 34.897 0.3 . 1 . . . . 4 VAL CB . 19239 1 10 . 1 1 4 4 VAL N N 15 129.277 0.3 . 1 . . . . 4 VAL N . 19239 1 11 . 1 1 5 5 THR H H 1 9.277 0.02 . 1 . . . . 5 THR H . 19239 1 12 . 1 1 5 5 THR C C 13 171.61 0.3 . 1 . . . . 5 THR C . 19239 1 13 . 1 1 5 5 THR CA C 13 59.293 0.3 . 1 . . . . 5 THR CA . 19239 1 14 . 1 1 5 5 THR CB C 13 67.017 0.3 . 1 . . . . 5 THR CB . 19239 1 15 . 1 1 5 5 THR N N 15 120.914 0.3 . 1 . . . . 5 THR N . 19239 1 16 . 1 1 6 6 GLN H H 1 8.356 0.02 . 1 . . . . 6 GLN H . 19239 1 17 . 1 1 6 6 GLN C C 13 171.345 0.3 . 1 . . . . 6 GLN C . 19239 1 18 . 1 1 6 6 GLN CA C 13 50.86 0.3 . 1 . . . . 6 GLN CA . 19239 1 19 . 1 1 6 6 GLN CB C 13 27.902 0.3 . 1 . . . . 6 GLN CB . 19239 1 20 . 1 1 6 6 GLN N N 15 124.008 0.3 . 1 . . . . 6 GLN N . 19239 1 21 . 1 1 7 7 SER H H 1 8.694 0.02 . 1 . . . . 7 SER H . 19239 1 22 . 1 1 7 7 SER C C 13 168.852 0.3 . 1 . . . . 7 SER C . 19239 1 23 . 1 1 7 7 SER CA C 13 52.847 0.3 . 1 . . . . 7 SER CA . 19239 1 24 . 1 1 7 7 SER CB C 13 61.585 0.3 . 1 . . . . 7 SER CB . 19239 1 25 . 1 1 7 7 SER N N 15 116.338 0.3 . 1 . . . . 7 SER N . 19239 1 26 . 1 1 9 9 ARG H H 1 8.745 0.02 . 1 . . . . 9 ARG H . 19239 1 27 . 1 1 9 9 ARG C C 13 173.607 0.3 . 1 . . . . 9 ARG C . 19239 1 28 . 1 1 9 9 ARG CA C 13 58.403 0.3 . 1 . . . . 9 ARG CA . 19239 1 29 . 1 1 9 9 ARG CB C 13 34.501 0.3 . 1 . . . . 9 ARG CB . 19239 1 30 . 1 1 9 9 ARG N N 15 120.907 0.3 . 1 . . . . 9 ARG N . 19239 1 31 . 1 1 10 10 ASN H H 1 7.602 0.02 . 1 . . . . 10 ASN H . 19239 1 32 . 1 1 10 10 ASN C C 13 171.405 0.3 . 1 . . . . 10 ASN C . 19239 1 33 . 1 1 10 10 ASN CA C 13 55.621 0.3 . 1 . . . . 10 ASN CA . 19239 1 34 . 1 1 10 10 ASN CB C 13 39.622 0.3 . 1 . . . . 10 ASN CB . 19239 1 35 . 1 1 10 10 ASN N N 15 117.231 0.3 . 1 . . . . 10 ASN N . 19239 1 36 . 1 1 11 11 LYS H H 1 8.729 0.02 . 1 . . . . 11 LYS H . 19239 1 37 . 1 1 11 11 LYS C C 13 173.652 0.3 . 1 . . . . 11 LYS C . 19239 1 38 . 1 1 11 11 LYS CA C 13 54.821 0.3 . 1 . . . . 11 LYS CA . 19239 1 39 . 1 1 11 11 LYS CB C 13 35.55 0.3 . 1 . . . . 11 LYS CB . 19239 1 40 . 1 1 11 11 LYS N N 15 123.52 0.3 . 1 . . . . 11 LYS N . 19239 1 41 . 1 1 12 12 VAL H H 1 8.786 0.02 . 1 . . . . 12 VAL H . 19239 1 42 . 1 1 12 12 VAL C C 13 170.94 0.3 . 1 . . . . 12 VAL C . 19239 1 43 . 1 1 12 12 VAL CA C 13 58.31 0.3 . 1 . . . . 12 VAL CA . 19239 1 44 . 1 1 12 12 VAL CB C 13 31.93 0.3 . 1 . . . . 12 VAL CB . 19239 1 45 . 1 1 12 12 VAL N N 15 129.789 0.3 . 1 . . . . 12 VAL N . 19239 1 46 . 1 1 13 13 ALA H H 1 9.229 0.02 . 1 . . . . 13 ALA H . 19239 1 47 . 1 1 13 13 ALA C C 13 172.23 0.3 . 1 . . . . 13 ALA C . 19239 1 48 . 1 1 13 13 ALA CA C 13 50.21 0.3 . 1 . . . . 13 ALA CA . 19239 1 49 . 1 1 13 13 ALA CB C 13 20.76 0.3 . 1 . . . . 13 ALA CB . 19239 1 50 . 1 1 13 13 ALA N N 15 131 0.3 . 1 . . . . 13 ALA N . 19239 1 51 . 1 1 14 14 VAL H H 1 8.18 0.02 . 1 . . . . 14 VAL H . 19239 1 52 . 1 1 14 14 VAL C C 13 172.95 0.3 . 1 . . . . 14 VAL C . 19239 1 53 . 1 1 14 14 VAL CA C 13 57.12 0.3 . 1 . . . . 14 VAL CA . 19239 1 54 . 1 1 14 14 VAL CB C 13 31.31 0.3 . 1 . . . . 14 VAL CB . 19239 1 55 . 1 1 14 14 VAL N N 15 116.2 0.3 . 1 . . . . 14 VAL N . 19239 1 56 . 1 1 15 15 THR H H 1 7.815 0.02 . 1 . . . . 15 THR H . 19239 1 57 . 1 1 15 15 THR C C 13 171.93 0.3 . 1 . . . . 15 THR C . 19239 1 58 . 1 1 15 15 THR CA C 13 62.36 0.3 . 1 . . . . 15 THR CA . 19239 1 59 . 1 1 15 15 THR CB C 13 31.57 0.3 . 1 . . . . 15 THR CB . 19239 1 60 . 1 1 15 15 THR N N 15 118.554 0.3 . 1 . . . . 15 THR N . 19239 1 61 . 1 1 16 16 GLY H H 1 9.69 0.02 . 1 . . . . 16 GLY H . 19239 1 62 . 1 1 16 16 GLY C C 13 170.82 0.3 . 1 . . . . 16 GLY C . 19239 1 63 . 1 1 16 16 GLY CA C 13 42.58 0.3 . 1 . . . . 16 GLY CA . 19239 1 64 . 1 1 16 16 GLY N N 15 116.43 0.3 . 1 . . . . 16 GLY N . 19239 1 65 . 1 1 17 17 GLU H H 1 7.938 0.02 . 1 . . . . 17 GLU H . 19239 1 66 . 1 1 17 17 GLU C C 13 171.38 0.3 . 1 . . . . 17 GLU C . 19239 1 67 . 1 1 17 17 GLU CA C 13 54.34 0.3 . 1 . . . . 17 GLU CA . 19239 1 68 . 1 1 17 17 GLU CB C 13 30.24 0.3 . 1 . . . . 17 GLU CB . 19239 1 69 . 1 1 17 17 GLU N N 15 121.35 0.3 . 1 . . . . 17 GLU N . 19239 1 70 . 1 1 18 18 LYS H H 1 8.314 0.02 . 1 . . . . 18 LYS H . 19239 1 71 . 1 1 18 18 LYS C C 13 170.35 0.3 . 1 . . . . 18 LYS C . 19239 1 72 . 1 1 18 18 LYS CA C 13 50.96 0.3 . 1 . . . . 18 LYS CA . 19239 1 73 . 1 1 18 18 LYS CB C 13 229.2 0.3 . 1 . . . . 18 LYS CB . 19239 1 74 . 1 1 18 18 LYS N N 15 123.51 0.3 . 1 . . . . 18 LYS N . 19239 1 75 . 1 1 19 19 VAL H H 1 8.207 0.02 . 1 . . . . 19 VAL H . 19239 1 76 . 1 1 19 19 VAL C C 13 171.363 0.3 . 1 . . . . 19 VAL C . 19239 1 77 . 1 1 19 19 VAL CA C 13 52.166 0.3 . 1 . . . . 19 VAL CA . 19239 1 78 . 1 1 19 19 VAL CB C 13 34.063 0.3 . 1 . . . . 19 VAL CB . 19239 1 79 . 1 1 19 19 VAL N N 15 126.021 0.3 . 1 . . . . 19 VAL N . 19239 1 80 . 1 1 20 20 THR H H 1 8.916 0.02 . 1 . . . . 20 THR H . 19239 1 81 . 1 1 20 20 THR C C 13 170.462 0.3 . 1 . . . . 20 THR C . 19239 1 82 . 1 1 20 20 THR CA C 13 58.524 0.3 . 1 . . . . 20 THR CA . 19239 1 83 . 1 1 20 20 THR CB C 13 66.549 0.3 . 1 . . . . 20 THR CB . 19239 1 84 . 1 1 20 20 THR N N 15 116.201 0.3 . 1 . . . . 20 THR N . 19239 1 85 . 1 1 21 21 LEU H H 1 9.102 0.02 . 1 . . . . 21 LEU H . 19239 1 86 . 1 1 21 21 LEU C C 13 172.682 0.3 . 1 . . . . 21 LEU C . 19239 1 87 . 1 1 21 21 LEU CA C 13 57.85 0.3 . 1 . . . . 21 LEU CA . 19239 1 88 . 1 1 21 21 LEU CB C 13 40.98 0.3 . 1 . . . . 21 LEU CB . 19239 1 89 . 1 1 21 21 LEU N N 15 129.177 0.3 . 1 . . . . 21 LEU N . 19239 1 90 . 1 1 22 22 SER H H 1 9.342 0.02 . 1 . . . . 22 SER H . 19239 1 91 . 1 1 22 22 SER C C 13 173.154 0.3 . 1 . . . . 22 SER C . 19239 1 92 . 1 1 22 22 SER CA C 13 55.66 0.3 . 1 . . . . 22 SER CA . 19239 1 93 . 1 1 22 22 SER CB C 13 62.678 0.3 . 1 . . . . 22 SER CB . 19239 1 94 . 1 1 22 22 SER N N 15 119.327 0.3 . 1 . . . . 22 SER N . 19239 1 95 . 1 1 24 24 ASN H H 1 9.061 0.02 . 1 . . . . 24 ASN H . 19239 1 96 . 1 1 24 24 ASN C C 13 172.092 0.3 . 1 . . . . 24 ASN C . 19239 1 97 . 1 1 24 24 ASN CA C 13 52.044 0.3 . 1 . . . . 24 ASN CA . 19239 1 98 . 1 1 24 24 ASN CB C 13 39.605 0.3 . 1 . . . . 24 ASN CB . 19239 1 99 . 1 1 24 24 ASN N N 15 125.865 0.3 . 1 . . . . 24 ASN N . 19239 1 100 . 1 1 25 25 GLN H H 1 8.73 0.02 . 1 . . . . 25 GLN H . 19239 1 101 . 1 1 25 25 GLN C C 13 173.691 0.3 . 1 . . . . 25 GLN C . 19239 1 102 . 1 1 25 25 GLN CA C 13 54.77 0.3 . 1 . . . . 25 GLN CA . 19239 1 103 . 1 1 25 25 GLN CB C 13 30.622 0.3 . 1 . . . . 25 GLN CB . 19239 1 104 . 1 1 25 25 GLN N N 15 123.543 0.3 . 1 . . . . 25 GLN N . 19239 1 105 . 1 1 26 26 THR H H 1 8.656 0.02 . 1 . . . . 26 THR H . 19239 1 106 . 1 1 26 26 THR C C 13 172.521 0.3 . 1 . . . . 26 THR C . 19239 1 107 . 1 1 26 26 THR CA C 13 62.123 0.3 . 1 . . . . 26 THR CA . 19239 1 108 . 1 1 26 26 THR CB C 13 66.681 0.3 . 1 . . . . 26 THR CB . 19239 1 109 . 1 1 26 26 THR N N 15 115.805 0.3 . 1 . . . . 26 THR N . 19239 1 110 . 1 1 27 27 ASN H H 1 7.916 0.02 . 1 . . . . 27 ASN H . 19239 1 111 . 1 1 27 27 ASN C C 13 174.732 0.3 . 1 . . . . 27 ASN C . 19239 1 112 . 1 1 27 27 ASN CA C 13 52.376 0.3 . 1 . . . . 27 ASN CA . 19239 1 113 . 1 1 27 27 ASN CB C 13 38.255 0.3 . 1 . . . . 27 ASN CB . 19239 1 114 . 1 1 27 27 ASN N N 15 118.657 0.3 . 1 . . . . 27 ASN N . 19239 1 115 . 1 1 28 28 ASN H H 1 8.554 0.02 . 1 . . . . 28 ASN H . 19239 1 116 . 1 1 28 28 ASN C C 13 173.936 0.3 . 1 . . . . 28 ASN C . 19239 1 117 . 1 1 28 28 ASN CA C 13 55.011 0.3 . 1 . . . . 28 ASN CA . 19239 1 118 . 1 1 28 28 ASN CB C 13 37.414 0.3 . 1 . . . . 28 ASN CB . 19239 1 119 . 1 1 28 28 ASN N N 15 116.352 0.3 . 1 . . . . 28 ASN N . 19239 1 120 . 1 1 29 29 HIS H H 1 7.502 0.02 . 1 . . . . 29 HIS H . 19239 1 121 . 1 1 29 29 HIS C C 13 170.454 0.3 . 1 . . . . 29 HIS C . 19239 1 122 . 1 1 29 29 HIS CA C 13 53.604 0.3 . 1 . . . . 29 HIS CA . 19239 1 123 . 1 1 29 29 HIS CB C 13 29.415 0.3 . 1 . . . . 29 HIS CB . 19239 1 124 . 1 1 29 29 HIS N N 15 115.372 0.3 . 1 . . . . 29 HIS N . 19239 1 125 . 1 1 30 30 ASN H H 1 8.462 0.02 . 1 . . . . 30 ASN H . 19239 1 126 . 1 1 30 30 ASN C C 13 174.243 0.3 . 1 . . . . 30 ASN C . 19239 1 127 . 1 1 30 30 ASN CA C 13 57.184 0.3 . 1 . . . . 30 ASN CA . 19239 1 128 . 1 1 30 30 ASN CB C 13 42.018 0.3 . 1 . . . . 30 ASN CB . 19239 1 129 . 1 1 30 30 ASN N N 15 122.1 0.3 . 1 . . . . 30 ASN N . 19239 1 130 . 1 1 31 31 ASN H H 1 7.891 0.02 . 1 . . . . 31 ASN H . 19239 1 131 . 1 1 31 31 ASN C C 13 171.092 0.3 . 1 . . . . 31 ASN C . 19239 1 132 . 1 1 31 31 ASN CA C 13 54.744 0.3 . 1 . . . . 31 ASN CA . 19239 1 133 . 1 1 31 31 ASN CB C 13 36.109 0.3 . 1 . . . . 31 ASN CB . 19239 1 134 . 1 1 31 31 ASN N N 15 114.507 0.3 . 1 . . . . 31 ASN N . 19239 1 135 . 1 1 32 32 MET H H 1 7.926 0.02 . 1 . . . . 32 MET H . 19239 1 136 . 1 1 32 32 MET C C 13 171.113 0.3 . 1 . . . . 32 MET C . 19239 1 137 . 1 1 32 32 MET CA C 13 59.282 0.3 . 1 . . . . 32 MET CA . 19239 1 138 . 1 1 32 32 MET CB C 13 34.477 0.3 . 1 . . . . 32 MET CB . 19239 1 139 . 1 1 32 32 MET N N 15 120.976 0.3 . 1 . . . . 32 MET N . 19239 1 140 . 1 1 33 33 TYR H H 1 9.302 0.02 . 1 . . . . 33 TYR H . 19239 1 141 . 1 1 33 33 TYR C C 13 174.024 0.3 . 1 . . . . 33 TYR C . 19239 1 142 . 1 1 33 33 TYR CA C 13 51.732 0.3 . 1 . . . . 33 TYR CA . 19239 1 143 . 1 1 33 33 TYR CB C 13 38.482 0.3 . 1 . . . . 33 TYR CB . 19239 1 144 . 1 1 33 33 TYR N N 15 117.478 0.3 . 1 . . . . 33 TYR N . 19239 1 145 . 1 1 34 34 TRP H H 1 9.809 0.02 . 1 . . . . 34 TRP H . 19239 1 146 . 1 1 34 34 TRP C C 13 172.803 0.3 . 1 . . . . 34 TRP C . 19239 1 147 . 1 1 34 34 TRP CA C 13 54.211 0.3 . 1 . . . . 34 TRP CA . 19239 1 148 . 1 1 34 34 TRP CB C 13 32.555 0.3 . 1 . . . . 34 TRP CB . 19239 1 149 . 1 1 34 34 TRP N N 15 122.492 0.3 . 1 . . . . 34 TRP N . 19239 1 150 . 1 1 35 35 TYR H H 1 10.253 0.02 . 1 . . . . 35 TYR H . 19239 1 151 . 1 1 35 35 TYR C C 13 171.404 0.3 . 1 . . . . 35 TYR C . 19239 1 152 . 1 1 35 35 TYR CA C 13 54.276 0.3 . 1 . . . . 35 TYR CA . 19239 1 153 . 1 1 35 35 TYR CB C 13 42.519 0.3 . 1 . . . . 35 TYR CB . 19239 1 154 . 1 1 35 35 TYR N N 15 122.754 0.3 . 1 . . . . 35 TYR N . 19239 1 155 . 1 1 36 36 ARG H H 1 8.971 0.02 . 1 . . . . 36 ARG H . 19239 1 156 . 1 1 36 36 ARG C C 13 170.394 0.3 . 1 . . . . 36 ARG C . 19239 1 157 . 1 1 36 36 ARG CA C 13 55.437 0.3 . 1 . . . . 36 ARG CA . 19239 1 158 . 1 1 36 36 ARG CB C 13 34.303 0.3 . 1 . . . . 36 ARG CB . 19239 1 159 . 1 1 36 36 ARG N N 15 116.927 0.3 . 1 . . . . 36 ARG N . 19239 1 160 . 1 1 37 37 GLN H H 1 9.032 0.02 . 1 . . . . 37 GLN H . 19239 1 161 . 1 1 37 37 GLN C C 13 170.519 0.3 . 1 . . . . 37 GLN C . 19239 1 162 . 1 1 37 37 GLN CA C 13 54.288 0.3 . 1 . . . . 37 GLN CA . 19239 1 163 . 1 1 37 37 GLN CB C 13 32.841 0.3 . 1 . . . . 37 GLN CB . 19239 1 164 . 1 1 37 37 GLN N N 15 122.839 0.3 . 1 . . . . 37 GLN N . 19239 1 165 . 1 1 38 38 ASP H H 1 8.716 0.02 . 1 . . . . 38 ASP H . 19239 1 166 . 1 1 38 38 ASP C C 13 171.943 0.3 . 1 . . . . 38 ASP C . 19239 1 167 . 1 1 38 38 ASP CA C 13 58.829 0.3 . 1 . . . . 38 ASP CA . 19239 1 168 . 1 1 38 38 ASP CB C 13 39.835 0.3 . 1 . . . . 38 ASP CB . 19239 1 169 . 1 1 38 38 ASP N N 15 129.804 0.3 . 1 . . . . 38 ASP N . 19239 1 170 . 1 1 39 39 THR H H 1 7.995 0.02 . 1 . . . . 39 THR H . 19239 1 171 . 1 1 39 39 THR C C 13 175.307 0.3 . 1 . . . . 39 THR C . 19239 1 172 . 1 1 39 39 THR CA C 13 62.888 0.3 . 1 . . . . 39 THR CA . 19239 1 173 . 1 1 39 39 THR CB C 13 70.074 0.3 . 1 . . . . 39 THR CB . 19239 1 174 . 1 1 39 39 THR N N 15 107.737 0.3 . 1 . . . . 39 THR N . 19239 1 175 . 1 1 40 40 GLY H H 1 8.522 0.02 . 1 . . . . 40 GLY H . 19239 1 176 . 1 1 40 40 GLY C C 13 171.93 0.3 . 1 . . . . 40 GLY C . 19239 1 177 . 1 1 40 40 GLY CA C 13 42.519 0.3 . 1 . . . . 40 GLY CA . 19239 1 178 . 1 1 40 40 GLY N N 15 110.267 0.3 . 1 . . . . 40 GLY N . 19239 1 179 . 1 1 41 41 HIS H H 1 7.957 0.02 . 1 . . . . 41 HIS H . 19239 1 180 . 1 1 41 41 HIS C C 13 171.933 0.3 . 1 . . . . 41 HIS C . 19239 1 181 . 1 1 41 41 HIS CA C 13 54.064 0.3 . 1 . . . . 41 HIS CA . 19239 1 182 . 1 1 41 41 HIS CB C 13 32.128 0.3 . 1 . . . . 41 HIS CB . 19239 1 183 . 1 1 41 41 HIS N N 15 114.583 0.3 . 1 . . . . 41 HIS N . 19239 1 184 . 1 1 42 42 GLU H H 1 8.862 0.02 . 1 . . . . 42 GLU H . 19239 1 185 . 1 1 42 42 GLU C C 13 170.971 0.3 . 1 . . . . 42 GLU C . 19239 1 186 . 1 1 42 42 GLU CA C 13 53.957 0.3 . 1 . . . . 42 GLU CA . 19239 1 187 . 1 1 42 42 GLU CB C 13 30.451 0.3 . 1 . . . . 42 GLU CB . 19239 1 188 . 1 1 42 42 GLU N N 15 120.838 0.3 . 1 . . . . 42 GLU N . 19239 1 189 . 1 1 43 43 LEU H H 1 7.792 0.02 . 1 . . . . 43 LEU H . 19239 1 190 . 1 1 43 43 LEU C C 13 169.847 0.3 . 1 . . . . 43 LEU C . 19239 1 191 . 1 1 43 43 LEU CA C 13 53.073 0.3 . 1 . . . . 43 LEU CA . 19239 1 192 . 1 1 43 43 LEU CB C 13 42.776 0.3 . 1 . . . . 43 LEU CB . 19239 1 193 . 1 1 43 43 LEU N N 15 126.012 0.3 . 1 . . . . 43 LEU N . 19239 1 194 . 1 1 44 44 ARG H H 1 8.923 0.02 . 1 . . . . 44 ARG H . 19239 1 195 . 1 1 44 44 ARG C C 13 171.487 0.3 . 1 . . . . 44 ARG C . 19239 1 196 . 1 1 44 44 ARG CA C 13 53.838 0.3 . 1 . . . . 44 ARG CA . 19239 1 197 . 1 1 44 44 ARG CB C 13 28.403 0.3 . 1 . . . . 44 ARG CB . 19239 1 198 . 1 1 44 44 ARG N N 15 122.113 0.3 . 1 . . . . 44 ARG N . 19239 1 199 . 1 1 45 45 LEU H H 1 8.923 0.02 . 1 . . . . 45 LEU H . 19239 1 200 . 1 1 45 45 LEU C C 13 170.011 0.3 . 1 . . . . 45 LEU C . 19239 1 201 . 1 1 45 45 LEU CA C 13 51.249 0.3 . 1 . . . . 45 LEU CA . 19239 1 202 . 1 1 45 45 LEU CB C 13 45.063 0.3 . 1 . . . . 45 LEU CB . 19239 1 203 . 1 1 45 45 LEU N N 15 127.117 0.3 . 1 . . . . 45 LEU N . 19239 1 204 . 1 1 46 46 ILE H H 1 9.094 0.02 . 1 . . . . 46 ILE H . 19239 1 205 . 1 1 46 46 ILE C C 13 172.578 0.3 . 1 . . . . 46 ILE C . 19239 1 206 . 1 1 46 46 ILE CA C 13 52.542 0.3 . 1 . . . . 46 ILE CA . 19239 1 207 . 1 1 46 46 ILE CB C 13 36.032 0.3 . 1 . . . . 46 ILE CB . 19239 1 208 . 1 1 46 46 ILE N N 15 125.807 0.3 . 1 . . . . 46 ILE N . 19239 1 209 . 1 1 47 47 HIS H H 1 7.719 0.02 . 1 . . . . 47 HIS H . 19239 1 210 . 1 1 47 47 HIS C C 13 174.756 0.3 . 1 . . . . 47 HIS C . 19239 1 211 . 1 1 47 47 HIS CA C 13 58.862 0.3 . 1 . . . . 47 HIS CA . 19239 1 212 . 1 1 47 47 HIS CB C 13 30.076 0.3 . 1 . . . . 47 HIS CB . 19239 1 213 . 1 1 47 47 HIS N N 15 117.439 0.3 . 1 . . . . 47 HIS N . 19239 1 214 . 1 1 48 48 TYR H H 1 8.827 0.02 . 1 . . . . 48 TYR H . 19239 1 215 . 1 1 48 48 TYR C C 13 171.829 0.3 . 1 . . . . 48 TYR C . 19239 1 216 . 1 1 48 48 TYR CA C 13 55.941 0.3 . 1 . . . . 48 TYR CA . 19239 1 217 . 1 1 48 48 TYR CB C 13 41.308 0.3 . 1 . . . . 48 TYR CB . 19239 1 218 . 1 1 48 48 TYR N N 15 116.274 0.3 . 1 . . . . 48 TYR N . 19239 1 219 . 1 1 49 49 SER H H 1 8.298 0.02 . 1 . . . . 49 SER H . 19239 1 220 . 1 1 49 49 SER C C 13 173.806 0.3 . 1 . . . . 49 SER C . 19239 1 221 . 1 1 49 49 SER CA C 13 58.282 0.3 . 1 . . . . 49 SER CA . 19239 1 222 . 1 1 49 49 SER CB C 13 57.585 0.3 . 1 . . . . 49 SER CB . 19239 1 223 . 1 1 49 49 SER N N 15 113.201 0.3 . 1 . . . . 49 SER N . 19239 1 224 . 1 1 50 50 TYR H H 1 8.828 0.02 . 1 . . . . 50 TYR H . 19239 1 225 . 1 1 50 50 TYR C C 13 172.591 0.3 . 1 . . . . 50 TYR C . 19239 1 226 . 1 1 50 50 TYR CA C 13 52.873 0.3 . 1 . . . . 50 TYR CA . 19239 1 227 . 1 1 50 50 TYR CB C 13 35.246 0.3 . 1 . . . . 50 TYR CB . 19239 1 228 . 1 1 50 50 TYR N N 15 117.307 0.3 . 1 . . . . 50 TYR N . 19239 1 229 . 1 1 51 51 GLY H H 1 7.446 0.02 . 1 . . . . 51 GLY H . 19239 1 230 . 1 1 51 51 GLY C C 13 168.936 0.3 . 1 . . . . 51 GLY C . 19239 1 231 . 1 1 51 51 GLY CA C 13 42.549 0.3 . 1 . . . . 51 GLY CA . 19239 1 232 . 1 1 51 51 GLY N N 15 105.778 0.3 . 1 . . . . 51 GLY N . 19239 1 233 . 1 1 52 52 ALA H H 1 8.634 0.02 . 1 . . . . 52 ALA H . 19239 1 234 . 1 1 52 52 ALA C C 13 176.082 0.3 . 1 . . . . 52 ALA C . 19239 1 235 . 1 1 52 52 ALA CA C 13 51.078 0.3 . 1 . . . . 52 ALA CA . 19239 1 236 . 1 1 52 52 ALA CB C 13 15.051 0.3 . 1 . . . . 52 ALA CB . 19239 1 237 . 1 1 52 52 ALA N N 15 121.457 0.3 . 1 . . . . 52 ALA N . 19239 1 238 . 1 1 53 53 GLY H H 1 8.833 0.02 . 1 . . . . 53 GLY H . 19239 1 239 . 1 1 53 53 GLY C C 13 171.077 0.3 . 1 . . . . 53 GLY C . 19239 1 240 . 1 1 53 53 GLY CA C 13 42.965 0.3 . 1 . . . . 53 GLY CA . 19239 1 241 . 1 1 53 53 GLY N N 15 110.672 0.3 . 1 . . . . 53 GLY N . 19239 1 242 . 1 1 54 54 SER H H 1 7.974 0.02 . 1 . . . . 54 SER H . 19239 1 243 . 1 1 54 54 SER C C 13 170.395 0.3 . 1 . . . . 54 SER C . 19239 1 244 . 1 1 54 54 SER CA C 13 53.997 0.3 . 1 . . . . 54 SER CA . 19239 1 245 . 1 1 54 54 SER CB C 13 62.151 0.3 . 1 . . . . 54 SER CB . 19239 1 246 . 1 1 54 54 SER N N 15 114.581 0.3 . 1 . . . . 54 SER N . 19239 1 247 . 1 1 55 55 THR H H 1 8.325 0.02 . 1 . . . . 55 THR H . 19239 1 248 . 1 1 55 55 THR C C 13 168.882 0.3 . 1 . . . . 55 THR C . 19239 1 249 . 1 1 55 55 THR CA C 13 57.986 0.3 . 1 . . . . 55 THR CA . 19239 1 250 . 1 1 55 55 THR N N 15 116.219 0.3 . 1 . . . . 55 THR N . 19239 1 251 . 1 1 56 56 GLU H H 1 8.78 0.02 . 1 . . . . 56 GLU H . 19239 1 252 . 1 1 56 56 GLU C C 13 172.213 0.3 . 1 . . . . 56 GLU C . 19239 1 253 . 1 1 56 56 GLU CA C 13 50.863 0.3 . 1 . . . . 56 GLU CA . 19239 1 254 . 1 1 56 56 GLU CB C 13 29.156 0.3 . 1 . . . . 56 GLU CB . 19239 1 255 . 1 1 56 56 GLU N N 15 121.419 0.3 . 1 . . . . 56 GLU N . 19239 1 256 . 1 1 57 57 LYS H H 1 8.167 0.02 . 1 . . . . 57 LYS H . 19239 1 257 . 1 1 57 57 LYS C C 13 171.452 0.3 . 1 . . . . 57 LYS C . 19239 1 258 . 1 1 57 57 LYS CA C 13 49.879 0.3 . 1 . . . . 57 LYS CA . 19239 1 259 . 1 1 57 57 LYS CB C 13 33.739 0.3 . 1 . . . . 57 LYS CB . 19239 1 260 . 1 1 57 57 LYS N N 15 181.007 0.3 . 1 . . . . 57 LYS N . 19239 1 261 . 1 1 58 58 GLY H H 1 8.451 0.02 . 1 . . . . 58 GLY H . 19239 1 262 . 1 1 58 58 GLY C C 13 172.723 0.3 . 1 . . . . 58 GLY C . 19239 1 263 . 1 1 58 58 GLY CA C 13 44.809 0.3 . 1 . . . . 58 GLY CA . 19239 1 264 . 1 1 58 58 GLY N N 15 113.009 0.3 . 1 . . . . 58 GLY N . 19239 1 265 . 1 1 59 59 ASP H H 1 8.669 0.02 . 1 . . . . 59 ASP H . 19239 1 266 . 1 1 59 59 ASP C C 13 173.407 0.3 . 1 . . . . 59 ASP C . 19239 1 267 . 1 1 59 59 ASP CA C 13 55.055 0.3 . 1 . . . . 59 ASP CA . 19239 1 268 . 1 1 59 59 ASP CB C 13 39.727 0.3 . 1 . . . . 59 ASP CB . 19239 1 269 . 1 1 59 59 ASP N N 15 124.405 0.3 . 1 . . . . 59 ASP N . 19239 1 270 . 1 1 60 60 ILE H H 1 7.924 0.02 . 1 . . . . 60 ILE H . 19239 1 271 . 1 1 60 60 ILE C C 13 174.156 0.3 . 1 . . . . 60 ILE C . 19239 1 272 . 1 1 60 60 ILE CA C 13 54.888 0.3 . 1 . . . . 60 ILE CA . 19239 1 273 . 1 1 60 60 ILE CB C 13 38.215 0.3 . 1 . . . . 60 ILE CB . 19239 1 274 . 1 1 60 60 ILE N N 15 112.602 0.3 . 1 . . . . 60 ILE N . 19239 1 275 . 1 1 62 62 ASP H H 1 8.477 0.02 . 1 . . . . 62 ASP H . 19239 1 276 . 1 1 62 62 ASP C C 13 173.436 0.3 . 1 . . . . 62 ASP C . 19239 1 277 . 1 1 62 62 ASP CA C 13 52.869 0.3 . 1 . . . . 62 ASP CA . 19239 1 278 . 1 1 62 62 ASP CB C 13 39.504 0.3 . 1 . . . . 62 ASP CB . 19239 1 279 . 1 1 62 62 ASP N N 15 119.804 0.3 . 1 . . . . 62 ASP N . 19239 1 280 . 1 1 63 63 GLY H H 1 8.555 0.02 . 1 . . . . 63 GLY H . 19239 1 281 . 1 1 63 63 GLY C C 13 168.943 0.3 . 1 . . . . 63 GLY C . 19239 1 282 . 1 1 63 63 GLY CA C 13 52.862 0.3 . 1 . . . . 63 GLY CA . 19239 1 283 . 1 1 63 63 GLY N N 15 111.747 0.3 . 1 . . . . 63 GLY N . 19239 1 284 . 1 1 64 64 TYR H H 1 8.965 0.02 . 1 . . . . 64 TYR H . 19239 1 285 . 1 1 64 64 TYR C C 13 172.433 0.3 . 1 . . . . 64 TYR C . 19239 1 286 . 1 1 64 64 TYR CA C 13 55.595 0.3 . 1 . . . . 64 TYR CA . 19239 1 287 . 1 1 64 64 TYR CB C 13 35.791 0.3 . 1 . . . . 64 TYR CB . 19239 1 288 . 1 1 64 64 TYR N N 15 115.304 0.3 . 1 . . . . 64 TYR N . 19239 1 289 . 1 1 65 65 LYS H H 1 7.988 0.02 . 1 . . . . 65 LYS H . 19239 1 290 . 1 1 65 65 LYS C C 13 174.606 0.3 . 1 . . . . 65 LYS C . 19239 1 291 . 1 1 65 65 LYS CA C 13 49.709 0.3 . 1 . . . . 65 LYS CA . 19239 1 292 . 1 1 65 65 LYS CB C 13 38.207 0.3 . 1 . . . . 65 LYS CB . 19239 1 293 . 1 1 65 65 LYS N N 15 124.985 0.3 . 1 . . . . 65 LYS N . 19239 1 294 . 1 1 66 66 ALA H H 1 8.164 0.02 . 1 . . . . 66 ALA H . 19239 1 295 . 1 1 66 66 ALA C C 13 173.306 0.3 . 1 . . . . 66 ALA C . 19239 1 296 . 1 1 66 66 ALA CA C 13 47.487 0.3 . 1 . . . . 66 ALA CA . 19239 1 297 . 1 1 66 66 ALA CB C 13 19.864 0.3 . 1 . . . . 66 ALA CB . 19239 1 298 . 1 1 66 66 ALA N N 15 122.944 0.3 . 1 . . . . 66 ALA N . 19239 1 299 . 1 1 67 67 SER H H 1 8.209 0.02 . 1 . . . . 67 SER H . 19239 1 300 . 1 1 67 67 SER C C 13 171.297 0.3 . 1 . . . . 67 SER C . 19239 1 301 . 1 1 67 67 SER CA C 13 54.006 0.3 . 1 . . . . 67 SER CA . 19239 1 302 . 1 1 67 67 SER CB C 13 62.189 0.3 . 1 . . . . 67 SER CB . 19239 1 303 . 1 1 67 67 SER N N 15 113.131 0.3 . 1 . . . . 67 SER N . 19239 1 304 . 1 1 68 68 ARG H H 1 8.216 0.02 . 1 . . . . 68 ARG H . 19239 1 305 . 1 1 68 68 ARG C C 13 172.524 0.3 . 1 . . . . 68 ARG C . 19239 1 306 . 1 1 68 68 ARG CA C 13 51.427 0.3 . 1 . . . . 68 ARG CA . 19239 1 307 . 1 1 68 68 ARG CB C 13 29.545 0.3 . 1 . . . . 68 ARG CB . 19239 1 308 . 1 1 68 68 ARG N N 15 125.209 0.3 . 1 . . . . 68 ARG N . 19239 1 309 . 1 1 71 71 GLN H H 1 8.43 0.02 . 1 . . . . 71 GLN H . 19239 1 310 . 1 1 71 71 GLN C C 13 171.219 0.3 . 1 . . . . 71 GLN C . 19239 1 311 . 1 1 71 71 GLN CA C 13 61.766 0.3 . 1 . . . . 71 GLN CA . 19239 1 312 . 1 1 71 71 GLN CB C 13 27.481 0.3 . 1 . . . . 71 GLN CB . 19239 1 313 . 1 1 71 71 GLN N N 15 119.205 0.3 . 1 . . . . 71 GLN N . 19239 1 314 . 1 1 72 72 GLU H H 1 8.564 0.02 . 1 . . . . 72 GLU H . 19239 1 315 . 1 1 72 72 GLU C C 13 174.439 0.3 . 1 . . . . 72 GLU C . 19239 1 316 . 1 1 72 72 GLU CA C 13 59.292 0.3 . 1 . . . . 72 GLU CA . 19239 1 317 . 1 1 72 72 GLU CB C 13 27.485 0.3 . 1 . . . . 72 GLU CB . 19239 1 318 . 1 1 72 72 GLU N N 15 114.343 0.3 . 1 . . . . 72 GLU N . 19239 1 319 . 1 1 73 73 ASN H H 1 7.419 0.02 . 1 . . . . 73 ASN H . 19239 1 320 . 1 1 73 73 ASN C C 13 168.589 0.3 . 1 . . . . 73 ASN C . 19239 1 321 . 1 1 73 73 ASN CA C 13 57.936 0.3 . 1 . . . . 73 ASN CA . 19239 1 322 . 1 1 73 73 ASN CB C 13 40.254 0.3 . 1 . . . . 73 ASN CB . 19239 1 323 . 1 1 73 73 ASN N N 15 117.67 0.3 . 1 . . . . 73 ASN N . 19239 1 324 . 1 1 74 74 PHE H H 1 8.586 0.02 . 1 . . . . 74 PHE H . 19239 1 325 . 1 1 74 74 PHE C C 13 174.226 0.3 . 1 . . . . 74 PHE C . 19239 1 326 . 1 1 74 74 PHE CA C 13 55.234 0.3 . 1 . . . . 74 PHE CA . 19239 1 327 . 1 1 74 74 PHE CB C 13 39.034 0.3 . 1 . . . . 74 PHE CB . 19239 1 328 . 1 1 74 74 PHE N N 15 125.204 0.3 . 1 . . . . 74 PHE N . 19239 1 329 . 1 1 75 75 SER H H 1 9.603 0.02 . 1 . . . . 75 SER H . 19239 1 330 . 1 1 75 75 SER C C 13 174.229 0.3 . 1 . . . . 75 SER C . 19239 1 331 . 1 1 75 75 SER CA C 13 54.149 0.3 . 1 . . . . 75 SER CA . 19239 1 332 . 1 1 75 75 SER CB C 13 62.756 0.3 . 1 . . . . 75 SER CB . 19239 1 333 . 1 1 75 75 SER N N 15 122.146 0.3 . 1 . . . . 75 SER N . 19239 1 334 . 1 1 76 76 LEU H H 1 8.826 0.02 . 1 . . . . 76 LEU H . 19239 1 335 . 1 1 76 76 LEU C C 13 172.642 0.3 . 1 . . . . 76 LEU C . 19239 1 336 . 1 1 76 76 LEU CA C 13 54.349 0.3 . 1 . . . . 76 LEU CA . 19239 1 337 . 1 1 76 76 LEU CB C 13 42.841 0.3 . 1 . . . . 76 LEU CB . 19239 1 338 . 1 1 76 76 LEU N N 15 123.389 0.3 . 1 . . . . 76 LEU N . 19239 1 339 . 1 1 77 77 THR H H 1 8.841 0.02 . 1 . . . . 77 THR H . 19239 1 340 . 1 1 77 77 THR C C 13 171.522 0.3 . 1 . . . . 77 THR C . 19239 1 341 . 1 1 77 77 THR CA C 13 58.331 0.3 . 1 . . . . 77 THR CA . 19239 1 342 . 1 1 77 77 THR CB C 13 70.523 0.3 . 1 . . . . 77 THR CB . 19239 1 343 . 1 1 77 77 THR N N 15 121.819 0.3 . 1 . . . . 77 THR N . 19239 1 344 . 1 1 78 78 LEU H H 1 8.954 0.02 . 1 . . . . 78 LEU H . 19239 1 345 . 1 1 78 78 LEU C C 13 172.267 0.3 . 1 . . . . 78 LEU C . 19239 1 346 . 1 1 78 78 LEU CA C 13 53.093 0.3 . 1 . . . . 78 LEU CA . 19239 1 347 . 1 1 78 78 LEU CB C 13 42.427 0.3 . 1 . . . . 78 LEU CB . 19239 1 348 . 1 1 78 78 LEU N N 15 129.863 0.3 . 1 . . . . 78 LEU N . 19239 1 349 . 1 1 79 79 GLU H H 1 8.203 0.02 . 1 . . . . 79 GLU H . 19239 1 350 . 1 1 79 79 GLU C C 13 173.522 0.3 . 1 . . . . 79 GLU C . 19239 1 351 . 1 1 79 79 GLU CA C 13 57.025 0.3 . 1 . . . . 79 GLU CA . 19239 1 352 . 1 1 79 79 GLU CB C 13 27.508 0.3 . 1 . . . . 79 GLU CB . 19239 1 353 . 1 1 79 79 GLU N N 15 120.938 0.3 . 1 . . . . 79 GLU N . 19239 1 354 . 1 1 80 80 SER H H 1 7.847 0.02 . 1 . . . . 80 SER H . 19239 1 355 . 1 1 80 80 SER C C 13 170.447 0.3 . 1 . . . . 80 SER C . 19239 1 356 . 1 1 80 80 SER CA C 13 53.436 0.3 . 1 . . . . 80 SER CA . 19239 1 357 . 1 1 80 80 SER CB C 13 59.256 0.3 . 1 . . . . 80 SER CB . 19239 1 358 . 1 1 80 80 SER N N 15 110.671 0.3 . 1 . . . . 80 SER N . 19239 1 359 . 1 1 81 81 ALA H H 1 8.614 0.02 . 1 . . . . 81 ALA H . 19239 1 360 . 1 1 81 81 ALA C C 13 175.689 0.3 . 1 . . . . 81 ALA C . 19239 1 361 . 1 1 81 81 ALA CA C 13 50.634 0.3 . 1 . . . . 81 ALA CA . 19239 1 362 . 1 1 81 81 ALA CB C 13 15.961 0.3 . 1 . . . . 81 ALA CB . 19239 1 363 . 1 1 81 81 ALA N N 15 127.859 0.3 . 1 . . . . 81 ALA N . 19239 1 364 . 1 1 82 82 THR H H 1 8.553 0.02 . 1 . . . . 82 THR H . 19239 1 365 . 1 1 82 82 THR C C 13 171.356 0.3 . 1 . . . . 82 THR C . 19239 1 366 . 1 1 82 82 THR CA C 13 55.957 0.3 . 1 . . . . 82 THR CA . 19239 1 367 . 1 1 82 82 THR CB C 13 65.546 0.3 . 1 . . . . 82 THR CB . 19239 1 368 . 1 1 82 82 THR N N 15 113.506 0.3 . 1 . . . . 82 THR N . 19239 1 369 . 1 1 86 86 THR H H 1 7.284 0.02 . 1 . . . . 86 THR H . 19239 1 370 . 1 1 86 86 THR C C 13 171.675 0.3 . 1 . . . . 86 THR C . 19239 1 371 . 1 1 86 86 THR CA C 13 59.155 0.3 . 1 . . . . 86 THR CA . 19239 1 372 . 1 1 86 86 THR CB C 13 67.188 0.3 . 1 . . . . 86 THR CB . 19239 1 373 . 1 1 86 86 THR N N 15 122.909 0.3 . 1 . . . . 86 THR N . 19239 1 374 . 1 1 87 87 SER H H 1 8.172 0.02 . 1 . . . . 87 SER H . 19239 1 375 . 1 1 87 87 SER C C 13 170.325 0.3 . 1 . . . . 87 SER C . 19239 1 376 . 1 1 87 87 SER CA C 13 57.177 0.3 . 1 . . . . 87 SER CA . 19239 1 377 . 1 1 87 87 SER CB C 13 61.105 0.3 . 1 . . . . 87 SER CB . 19239 1 378 . 1 1 87 87 SER N N 15 122.906 0.3 . 1 . . . . 87 SER N . 19239 1 379 . 1 1 88 88 VAL H H 1 8.319 0.02 . 1 . . . . 88 VAL H . 19239 1 380 . 1 1 88 88 VAL C C 13 170.324 0.3 . 1 . . . . 88 VAL C . 19239 1 381 . 1 1 88 88 VAL CA C 13 60.972 0.3 . 1 . . . . 88 VAL CA . 19239 1 382 . 1 1 88 88 VAL CB C 13 29.958 0.3 . 1 . . . . 88 VAL CB . 19239 1 383 . 1 1 88 88 VAL N N 15 118.049 0.3 . 1 . . . . 88 VAL N . 19239 1 384 . 1 1 89 89 TYR H H 1 9.174 0.02 . 1 . . . . 89 TYR H . 19239 1 385 . 1 1 89 89 TYR C C 13 171.401 0.3 . 1 . . . . 89 TYR C . 19239 1 386 . 1 1 89 89 TYR CA C 13 56.167 0.3 . 1 . . . . 89 TYR CA . 19239 1 387 . 1 1 89 89 TYR CB C 13 41.535 0.3 . 1 . . . . 89 TYR CB . 19239 1 388 . 1 1 89 89 TYR N N 15 127.703 0.3 . 1 . . . . 89 TYR N . 19239 1 389 . 1 1 90 90 PHE H H 1 9.559 0.02 . 1 . . . . 90 PHE H . 19239 1 390 . 1 1 90 90 PHE C C 13 171.229 0.3 . 1 . . . . 90 PHE C . 19239 1 391 . 1 1 90 90 PHE CA C 13 58.945 0.3 . 1 . . . . 90 PHE CA . 19239 1 392 . 1 1 90 90 PHE CB C 13 39.471 0.3 . 1 . . . . 90 PHE CB . 19239 1 393 . 1 1 90 90 PHE N N 15 120.509 0.3 . 1 . . . . 90 PHE N . 19239 1 394 . 1 1 91 91 CYS H H 1 8.313 0.02 . 1 . . . . 91 CYS H . 19239 1 395 . 1 1 91 91 CYS C C 13 170.453 0.3 . 1 . . . . 91 CYS C . 19239 1 396 . 1 1 91 91 CYS CA C 13 53.876 0.3 . 1 . . . . 91 CYS CA . 19239 1 397 . 1 1 91 91 CYS CB C 13 27.243 0.3 . 1 . . . . 91 CYS CB . 19239 1 398 . 1 1 91 91 CYS N N 15 128.907 0.3 . 1 . . . . 91 CYS N . 19239 1 399 . 1 1 92 92 ALA H H 1 8.71 0.02 . 1 . . . . 92 ALA H . 19239 1 400 . 1 1 92 92 ALA C C 13 173.217 0.3 . 1 . . . . 92 ALA C . 19239 1 401 . 1 1 92 92 ALA CA C 13 47.301 0.3 . 1 . . . . 92 ALA CA . 19239 1 402 . 1 1 92 92 ALA CB C 13 19.364 0.3 . 1 . . . . 92 ALA CB . 19239 1 403 . 1 1 92 92 ALA N N 15 129.677 0.3 . 1 . . . . 92 ALA N . 19239 1 404 . 1 1 93 93 SER H H 1 9.063 0.02 . 1 . . . . 93 SER H . 19239 1 405 . 1 1 93 93 SER C C 13 169.913 0.3 . 1 . . . . 93 SER C . 19239 1 406 . 1 1 93 93 SER CA C 13 54.458 0.3 . 1 . . . . 93 SER CA . 19239 1 407 . 1 1 93 93 SER CB C 13 62.292 0.3 . 1 . . . . 93 SER CB . 19239 1 408 . 1 1 93 93 SER N N 15 116.025 0.3 . 1 . . . . 93 SER N . 19239 1 409 . 1 1 94 94 GLY H H 1 8.562 0.02 . 1 . . . . 94 GLY H . 19239 1 410 . 1 1 94 94 GLY C C 13 169.021 0.3 . 1 . . . . 94 GLY C . 19239 1 411 . 1 1 94 94 GLY CA C 13 42.479 0.3 . 1 . . . . 94 GLY CA . 19239 1 412 . 1 1 94 94 GLY N N 15 106.848 0.3 . 1 . . . . 94 GLY N . 19239 1 413 . 1 1 95 95 GLY H H 1 8.178 0.02 . 1 . . . . 95 GLY H . 19239 1 414 . 1 1 95 95 GLY C C 13 169.671 0.3 . 1 . . . . 95 GLY C . 19239 1 415 . 1 1 95 95 GLY CA C 13 42.228 0.3 . 1 . . . . 95 GLY CA . 19239 1 416 . 1 1 95 95 GLY N N 15 108.506 0.3 . 1 . . . . 95 GLY N . 19239 1 417 . 1 1 96 96 GLY H H 1 7.492 0.02 . 1 . . . . 96 GLY H . 19239 1 418 . 1 1 96 96 GLY C C 13 170.035 0.3 . 1 . . . . 96 GLY C . 19239 1 419 . 1 1 96 96 GLY CA C 13 40.822 0.3 . 1 . . . . 96 GLY CA . 19239 1 420 . 1 1 96 96 GLY N N 15 108.305 0.3 . 1 . . . . 96 GLY N . 19239 1 421 . 1 1 97 97 GLY H H 1 7.092 0.02 . 1 . . . . 97 GLY H . 19239 1 422 . 1 1 97 97 GLY C C 13 170.057 0.3 . 1 . . . . 97 GLY C . 19239 1 423 . 1 1 97 97 GLY CA C 13 42.312 0.3 . 1 . . . . 97 GLY CA . 19239 1 424 . 1 1 97 97 GLY N N 15 108.208 0.3 . 1 . . . . 97 GLY N . 19239 1 425 . 1 1 98 98 THR H H 1 8.345 0.02 . 1 . . . . 98 THR H . 19239 1 426 . 1 1 98 98 THR C C 13 171.254 0.3 . 1 . . . . 98 THR C . 19239 1 427 . 1 1 98 98 THR CA C 13 59.106 0.3 . 1 . . . . 98 THR CA . 19239 1 428 . 1 1 98 98 THR N N 15 118.906 0.3 . 1 . . . . 98 THR N . 19239 1 429 . 1 1 99 99 LEU H H 1 6.942 0.02 . 1 . . . . 99 LEU H . 19239 1 430 . 1 1 99 99 LEU C C 13 170.343 0.3 . 1 . . . . 99 LEU C . 19239 1 431 . 1 1 99 99 LEU CA C 13 55.037 0.3 . 1 . . . . 99 LEU CA . 19239 1 432 . 1 1 99 99 LEU CB C 13 42.631 0.3 . 1 . . . . 99 LEU CB . 19239 1 433 . 1 1 99 99 LEU N N 15 124.647 0.3 . 1 . . . . 99 LEU N . 19239 1 434 . 1 1 100 100 TYR H H 1 8.339 0.02 . 1 . . . . 100 TYR H . 19239 1 435 . 1 1 100 100 TYR C C 13 172.459 0.3 . 1 . . . . 100 TYR C . 19239 1 436 . 1 1 100 100 TYR CA C 13 57.766 0.3 . 1 . . . . 100 TYR CA . 19239 1 437 . 1 1 100 100 TYR CB C 13 35.838 0.3 . 1 . . . . 100 TYR CB . 19239 1 438 . 1 1 100 100 TYR N N 15 118.921 0.3 . 1 . . . . 100 TYR N . 19239 1 439 . 1 1 101 101 PHE H H 1 8.624 0.02 . 1 . . . . 101 PHE H . 19239 1 440 . 1 1 101 101 PHE C C 13 173.539 0.3 . 1 . . . . 101 PHE C . 19239 1 441 . 1 1 101 101 PHE CA C 13 51.767 0.3 . 1 . . . . 101 PHE CA . 19239 1 442 . 1 1 101 101 PHE CB C 13 42.596 0.3 . 1 . . . . 101 PHE CB . 19239 1 443 . 1 1 101 101 PHE N N 15 123.207 0.3 . 1 . . . . 101 PHE N . 19239 1 444 . 1 1 102 102 GLY H H 1 8.728 0.02 . 1 . . . . 102 GLY H . 19239 1 445 . 1 1 102 102 GLY C C 13 173.672 0.3 . 1 . . . . 102 GLY C . 19239 1 446 . 1 1 102 102 GLY CA C 13 42.808 0.3 . 1 . . . . 102 GLY CA . 19239 1 447 . 1 1 102 102 GLY N N 15 106.404 0.3 . 1 . . . . 102 GLY N . 19239 1 448 . 1 1 103 103 ALA H H 1 8.558 0.02 . 1 . . . . 103 ALA H . 19239 1 449 . 1 1 103 103 ALA C C 13 175.868 0.3 . 1 . . . . 103 ALA C . 19239 1 450 . 1 1 103 103 ALA CA C 13 50.634 0.3 . 1 . . . . 103 ALA CA . 19239 1 451 . 1 1 103 103 ALA CB C 13 16.728 0.3 . 1 . . . . 103 ALA CB . 19239 1 452 . 1 1 103 103 ALA N N 15 121.005 0.3 . 1 . . . . 103 ALA N . 19239 1 453 . 1 1 104 104 GLY H H 1 6.901 0.02 . 1 . . . . 104 GLY H . 19239 1 454 . 1 1 104 104 GLY C C 13 174.156 0.3 . 1 . . . . 104 GLY C . 19239 1 455 . 1 1 104 104 GLY CA C 13 42.341 0.3 . 1 . . . . 104 GLY CA . 19239 1 456 . 1 1 104 104 GLY N N 15 102.796 0.3 . 1 . . . . 104 GLY N . 19239 1 457 . 1 1 105 105 THR H H 1 8.393 0.02 . 1 . . . . 105 THR H . 19239 1 458 . 1 1 105 105 THR C C 13 170.878 0.3 . 1 . . . . 105 THR C . 19239 1 459 . 1 1 105 105 THR CA C 13 62.063 0.3 . 1 . . . . 105 THR CA . 19239 1 460 . 1 1 105 105 THR CB C 13 70.567 0.3 . 1 . . . . 105 THR CB . 19239 1 461 . 1 1 105 105 THR N N 15 116.903 0.3 . 1 . . . . 105 THR N . 19239 1 462 . 1 1 106 106 ARG H H 1 8.781 0.02 . 1 . . . . 106 ARG H . 19239 1 463 . 1 1 106 106 ARG C C 13 170.191 0.3 . 1 . . . . 106 ARG C . 19239 1 464 . 1 1 106 106 ARG CA C 13 52.948 0.3 . 1 . . . . 106 ARG CA . 19239 1 465 . 1 1 106 106 ARG CB C 13 29.214 0.3 . 1 . . . . 106 ARG CB . 19239 1 466 . 1 1 106 106 ARG N N 15 126.032 0.3 . 1 . . . . 106 ARG N . 19239 1 467 . 1 1 107 107 LEU H H 1 8.88 0.02 . 1 . . . . 107 LEU H . 19239 1 468 . 1 1 107 107 LEU C C 13 172.157 0.3 . 1 . . . . 107 LEU C . 19239 1 469 . 1 1 107 107 LEU CA C 13 57.172 0.3 . 1 . . . . 107 LEU CA . 19239 1 470 . 1 1 107 107 LEU CB C 13 40.939 0.3 . 1 . . . . 107 LEU CB . 19239 1 471 . 1 1 107 107 LEU N N 15 125.021 0.3 . 1 . . . . 107 LEU N . 19239 1 472 . 1 1 144 144 ARG H H 1 8.171 0.02 . 1 . . . . 144 ARG H . 19239 1 473 . 1 1 144 144 ARG C C 13 54.691 0.3 . 1 . . . . 144 ARG C . 19239 1 474 . 1 1 144 144 ARG CA C 13 57.169 0.3 . 1 . . . . 144 ARG CA . 19239 1 475 . 1 1 144 144 ARG CB C 13 34.255 0.3 . 1 . . . . 144 ARG CB . 19239 1 476 . 1 1 144 144 ARG N N 15 115.279 0.3 . 1 . . . . 144 ARG N . 19239 1 477 . 1 1 145 145 VAL H H 1 9.076 0.02 . 1 . . . . 145 VAL H . 19239 1 478 . 1 1 145 145 VAL C C 13 170.382 0.3 . 1 . . . . 145 VAL C . 19239 1 479 . 1 1 145 145 VAL CA C 13 54.177 0.3 . 1 . . . . 145 VAL CA . 19239 1 480 . 1 1 145 145 VAL CB C 13 32.159 0.3 . 1 . . . . 145 VAL CB . 19239 1 481 . 1 1 145 145 VAL N N 15 122.882 0.3 . 1 . . . . 145 VAL N . 19239 1 482 . 1 1 146 146 THR H H 1 8.223 0.02 . 1 . . . . 146 THR H . 19239 1 483 . 1 1 146 146 THR C C 13 168.819 0.3 . 1 . . . . 146 THR C . 19239 1 484 . 1 1 146 146 THR CA C 13 58.039 0.3 . 1 . . . . 146 THR CA . 19239 1 485 . 1 1 146 146 THR CB C 13 68.625 0.3 . 1 . . . . 146 THR CB . 19239 1 486 . 1 1 146 146 THR N N 15 125.287 0.3 . 1 . . . . 146 THR N . 19239 1 487 . 1 1 147 147 VAL H H 1 8.775 0.02 . 1 . . . . 147 VAL H . 19239 1 488 . 1 1 147 147 VAL C C 13 172.306 0.3 . 1 . . . . 147 VAL C . 19239 1 489 . 1 1 147 147 VAL CA C 13 59.179 0.3 . 1 . . . . 147 VAL CA . 19239 1 490 . 1 1 147 147 VAL CB C 13 34.086 0.3 . 1 . . . . 147 VAL CB . 19239 1 491 . 1 1 147 147 VAL N N 15 121.383 0.3 . 1 . . . . 147 VAL N . 19239 1 492 . 1 1 148 148 SER H H 1 8.918 0.02 . 1 . . . . 148 SER H . 19239 1 493 . 1 1 148 148 SER C C 13 173.602 0.3 . 1 . . . . 148 SER C . 19239 1 494 . 1 1 148 148 SER CA C 13 55.493 0.3 . 1 . . . . 148 SER CA . 19239 1 495 . 1 1 148 148 SER CB C 13 61.156 0.3 . 1 . . . . 148 SER CB . 19239 1 496 . 1 1 148 148 SER N N 15 116.795 0.3 . 1 . . . . 148 SER N . 19239 1 497 . 1 1 149 149 GLU H H 1 8.445 0.02 . 1 . . . . 149 GLU H . 19239 1 498 . 1 1 149 149 GLU C C 13 173.623 0.3 . 1 . . . . 149 GLU C . 19239 1 499 . 1 1 149 149 GLU CA C 13 54.168 0.3 . 1 . . . . 149 GLU CA . 19239 1 500 . 1 1 149 149 GLU CB C 13 30.023 0.3 . 1 . . . . 149 GLU CB . 19239 1 501 . 1 1 149 149 GLU N N 15 123.456 0.3 . 1 . . . . 149 GLU N . 19239 1 502 . 1 1 150 150 GLY H H 1 8.749 0.02 . 1 . . . . 150 GLY H . 19239 1 503 . 1 1 150 150 GLY C C 13 171.173 0.3 . 1 . . . . 150 GLY C . 19239 1 504 . 1 1 150 150 GLY CA C 13 42.049 0.3 . 1 . . . . 150 GLY CA . 19239 1 505 . 1 1 150 150 GLY N N 15 114.388 0.3 . 1 . . . . 150 GLY N . 19239 1 506 . 1 1 151 151 ALA H H 1 8.878 0.02 . 1 . . . . 151 ALA H . 19239 1 507 . 1 1 151 151 ALA C C 13 173.144 0.3 . 1 . . . . 151 ALA C . 19239 1 508 . 1 1 151 151 ALA CA C 13 48.545 0.3 . 1 . . . . 151 ALA CA . 19239 1 509 . 1 1 151 151 ALA CB C 13 19.926 0.3 . 1 . . . . 151 ALA CB . 19239 1 510 . 1 1 151 151 ALA N N 15 124.067 0.3 . 1 . . . . 151 ALA N . 19239 1 511 . 1 1 152 152 SER H H 1 8.224 0.02 . 1 . . . . 152 SER H . 19239 1 512 . 1 1 152 152 SER C C 13 171.357 0.3 . 1 . . . . 152 SER C . 19239 1 513 . 1 1 152 152 SER CA C 13 54.652 0.3 . 1 . . . . 152 SER CA . 19239 1 514 . 1 1 152 152 SER CB C 13 62.467 0.3 . 1 . . . . 152 SER CB . 19239 1 515 . 1 1 152 152 SER N N 15 113.107 0.3 . 1 . . . . 152 SER N . 19239 1 516 . 1 1 154 154 GLN H H 1 8.165 0.02 . 1 . . . . 154 GLN H . 19239 1 517 . 1 1 154 154 GLN C C 13 171.434 0.3 . 1 . . . . 154 GLN C . 19239 1 518 . 1 1 154 154 GLN CA C 13 50.075 0.3 . 1 . . . . 154 GLN CA . 19239 1 519 . 1 1 154 154 GLN CB C 13 32.041 0.3 . 1 . . . . 154 GLN CB . 19239 1 520 . 1 1 154 154 GLN N N 15 123.975 0.3 . 1 . . . . 154 GLN N . 19239 1 521 . 1 1 155 155 LEU H H 1 8.905 0.02 . 1 . . . . 155 LEU H . 19239 1 522 . 1 1 155 155 LEU C C 13 171.411 0.3 . 1 . . . . 155 LEU C . 19239 1 523 . 1 1 155 155 LEU CA C 13 53.088 0.3 . 1 . . . . 155 LEU CA . 19239 1 524 . 1 1 155 155 LEU CB C 13 42.751 0.3 . 1 . . . . 155 LEU CB . 19239 1 525 . 1 1 155 155 LEU N N 15 126.268 0.3 . 1 . . . . 155 LEU N . 19239 1 526 . 1 1 156 156 ARG H H 1 8.632 0.02 . 1 . . . . 156 ARG H . 19239 1 527 . 1 1 156 156 ARG C C 13 169.213 0.3 . 1 . . . . 156 ARG C . 19239 1 528 . 1 1 156 156 ARG CA C 13 54.166 0.3 . 1 . . . . 156 ARG CA . 19239 1 529 . 1 1 156 156 ARG CB C 13 31.115 0.3 . 1 . . . . 156 ARG CB . 19239 1 530 . 1 1 156 156 ARG N N 15 122.308 0.3 . 1 . . . . 156 ARG N . 19239 1 531 . 1 1 157 157 CYS H H 1 9.089 0.02 . 1 . . . . 157 CYS H . 19239 1 532 . 1 1 157 157 CYS C C 13 171.186 0.3 . 1 . . . . 157 CYS C . 19239 1 533 . 1 1 157 157 CYS CA C 13 52.104 0.3 . 1 . . . . 157 CYS CA . 19239 1 534 . 1 1 157 157 CYS CB C 13 42.517 0.3 . 1 . . . . 157 CYS CB . 19239 1 535 . 1 1 157 157 CYS N N 15 119.948 0.3 . 1 . . . . 157 CYS N . 19239 1 536 . 1 1 158 158 LYS H H 1 9.185 0.02 . 1 . . . . 158 LYS H . 19239 1 537 . 1 1 158 158 LYS C C 13 171.218 0.3 . 1 . . . . 158 LYS C . 19239 1 538 . 1 1 158 158 LYS CA C 13 52.964 0.3 . 1 . . . . 158 LYS CA . 19239 1 539 . 1 1 158 158 LYS CB C 13 36.043 0.3 . 1 . . . . 158 LYS CB . 19239 1 540 . 1 1 158 158 LYS N N 15 126.306 0.3 . 1 . . . . 158 LYS N . 19239 1 541 . 1 1 159 159 TYR H H 1 8.409 0.02 . 1 . . . . 159 TYR H . 19239 1 542 . 1 1 159 159 TYR C C 13 172.059 0.3 . 1 . . . . 159 TYR C . 19239 1 543 . 1 1 159 159 TYR CA C 13 54.388 0.3 . 1 . . . . 159 TYR CA . 19239 1 544 . 1 1 159 159 TYR CB C 13 39.887 0.3 . 1 . . . . 159 TYR CB . 19239 1 545 . 1 1 159 159 TYR N N 15 120.209 0.3 . 1 . . . . 159 TYR N . 19239 1 546 . 1 1 160 160 SER H H 1 8.638 0.02 . 1 . . . . 160 SER H . 19239 1 547 . 1 1 160 160 SER C C 13 171.088 0.3 . 1 . . . . 160 SER C . 19239 1 548 . 1 1 160 160 SER CA C 13 56.144 0.3 . 1 . . . . 160 SER CA . 19239 1 549 . 1 1 160 160 SER CB C 13 62.298 0.3 . 1 . . . . 160 SER CB . 19239 1 550 . 1 1 160 160 SER N N 15 116.069 0.3 . 1 . . . . 160 SER N . 19239 1 551 . 1 1 161 161 TYR H H 1 8.68 0.02 . 1 . . . . 161 TYR H . 19239 1 552 . 1 1 161 161 TYR C C 13 172.103 0.3 . 1 . . . . 161 TYR C . 19239 1 553 . 1 1 161 161 TYR CA C 13 61.368 0.3 . 1 . . . . 161 TYR CA . 19239 1 554 . 1 1 161 161 TYR CB C 13 39.602 0.3 . 1 . . . . 161 TYR CB . 19239 1 555 . 1 1 161 161 TYR N N 15 127.872 0.3 . 1 . . . . 161 TYR N . 19239 1 556 . 1 1 162 162 SER H H 1 8.727 0.02 . 1 . . . . 162 SER H . 19239 1 557 . 1 1 162 162 SER C C 13 172.366 0.3 . 1 . . . . 162 SER C . 19239 1 558 . 1 1 162 162 SER CA C 13 55.405 0.3 . 1 . . . . 162 SER CA . 19239 1 559 . 1 1 162 162 SER CB C 13 63.526 0.3 . 1 . . . . 162 SER CB . 19239 1 560 . 1 1 162 162 SER N N 15 123.716 0.3 . 1 . . . . 162 SER N . 19239 1 561 . 1 1 163 163 ALA H H 1 6.068 0.02 . 1 . . . . 163 ALA H . 19239 1 562 . 1 1 163 163 ALA C C 13 172.202 0.3 . 1 . . . . 163 ALA C . 19239 1 563 . 1 1 163 163 ALA CA C 13 50.018 0.3 . 1 . . . . 163 ALA CA . 19239 1 564 . 1 1 163 163 ALA CB C 13 20.752 0.3 . 1 . . . . 163 ALA CB . 19239 1 565 . 1 1 163 163 ALA N N 15 121.803 0.3 . 1 . . . . 163 ALA N . 19239 1 566 . 1 1 164 164 THR H H 1 8.169 0.02 . 1 . . . . 164 THR H . 19239 1 567 . 1 1 164 164 THR C C 13 172.943 0.3 . 1 . . . . 164 THR C . 19239 1 568 . 1 1 164 164 THR CA C 13 57.465 0.3 . 1 . . . . 164 THR CA . 19239 1 569 . 1 1 164 164 THR CB C 13 68.642 0.3 . 1 . . . . 164 THR CB . 19239 1 570 . 1 1 164 164 THR N N 15 116.171 0.3 . 1 . . . . 164 THR N . 19239 1 571 . 1 1 167 167 LEU H H 1 7.332 0.02 . 1 . . . . 167 LEU H . 19239 1 572 . 1 1 167 167 LEU C C 13 169.582 0.3 . 1 . . . . 167 LEU C . 19239 1 573 . 1 1 167 167 LEU CA C 13 53.209 0.3 . 1 . . . . 167 LEU CA . 19239 1 574 . 1 1 167 167 LEU CB C 13 41.422 0.3 . 1 . . . . 167 LEU CB . 19239 1 575 . 1 1 167 167 LEU N N 15 124.407 0.3 . 1 . . . . 167 LEU N . 19239 1 576 . 1 1 168 168 PHE H H 1 9.396 0.02 . 1 . . . . 168 PHE H . 19239 1 577 . 1 1 168 168 PHE C C 13 169.581 0.3 . 1 . . . . 168 PHE C . 19239 1 578 . 1 1 168 168 PHE CA C 13 53.495 0.3 . 1 . . . . 168 PHE CA . 19239 1 579 . 1 1 168 168 PHE CB C 13 42.903 0.3 . 1 . . . . 168 PHE CB . 19239 1 580 . 1 1 168 168 PHE N N 15 117.017 0.3 . 1 . . . . 168 PHE N . 19239 1 581 . 1 1 169 169 TRP H H 1 8.687 0.02 . 1 . . . . 169 TRP H . 19239 1 582 . 1 1 169 169 TRP C C 13 174.077 0.3 . 1 . . . . 169 TRP C . 19239 1 583 . 1 1 169 169 TRP CA C 13 55.171 0.3 . 1 . . . . 169 TRP CA . 19239 1 584 . 1 1 169 169 TRP CB C 13 33.159 0.3 . 1 . . . . 169 TRP CB . 19239 1 585 . 1 1 169 169 TRP N N 15 120.037 0.3 . 1 . . . . 169 TRP N . 19239 1 586 . 1 1 170 170 TYR H H 1 9.895 0.02 . 1 . . . . 170 TYR H . 19239 1 587 . 1 1 170 170 TYR C C 13 173.678 0.3 . 1 . . . . 170 TYR C . 19239 1 588 . 1 1 170 170 TYR CA C 13 53.038 0.3 . 1 . . . . 170 TYR CA . 19239 1 589 . 1 1 170 170 TYR CB C 13 39.542 0.3 . 1 . . . . 170 TYR CB . 19239 1 590 . 1 1 170 170 TYR N N 15 121.565 0.3 . 1 . . . . 170 TYR N . 19239 1 591 . 1 1 171 171 VAL H H 1 9.148 0.02 . 1 . . . . 171 VAL H . 19239 1 592 . 1 1 171 171 VAL C C 13 170.644 0.3 . 1 . . . . 171 VAL C . 19239 1 593 . 1 1 171 171 VAL CA C 13 52.046 0.3 . 1 . . . . 171 VAL CA . 19239 1 594 . 1 1 171 171 VAL CB C 13 30.548 0.3 . 1 . . . . 171 VAL CB . 19239 1 595 . 1 1 171 171 VAL N N 15 116.401 0.3 . 1 . . . . 171 VAL N . 19239 1 596 . 1 1 172 172 GLN H H 1 8.263 0.02 . 1 . . . . 172 GLN H . 19239 1 597 . 1 1 172 172 GLN C C 13 173.515 0.3 . 1 . . . . 172 GLN C . 19239 1 598 . 1 1 172 172 GLN CA C 13 50.265 0.3 . 1 . . . . 172 GLN CA . 19239 1 599 . 1 1 172 172 GLN CB C 13 31.913 0.3 . 1 . . . . 172 GLN CB . 19239 1 600 . 1 1 172 172 GLN N N 15 123.186 0.3 . 1 . . . . 172 GLN N . 19239 1 601 . 1 1 173 173 TYR H H 1 7.972 0.02 . 1 . . . . 173 TYR H . 19239 1 602 . 1 1 173 173 TYR C C 13 170.976 0.3 . 1 . . . . 173 TYR C . 19239 1 603 . 1 1 173 173 TYR CA C 13 53.857 0.3 . 1 . . . . 173 TYR CA . 19239 1 604 . 1 1 173 173 TYR CB C 13 130.377 0.3 . 1 . . . . 173 TYR CB . 19239 1 605 . 1 1 173 173 TYR N N 15 130.372 0.3 . 1 . . . . 173 TYR N . 19239 1 606 . 1 1 181 181 LEU H H 1 8.871 0.02 . 1 . . . . 181 LEU H . 19239 1 607 . 1 1 181 181 LEU C C 13 173.802 0.3 . 1 . . . . 181 LEU C . 19239 1 608 . 1 1 181 181 LEU CA C 13 58.434 0.3 . 1 . . . . 181 LEU CA . 19239 1 609 . 1 1 181 181 LEU CB C 13 39.707 0.3 . 1 . . . . 181 LEU CB . 19239 1 610 . 1 1 181 181 LEU N N 15 127.479 0.3 . 1 . . . . 181 LEU N . 19239 1 611 . 1 1 182 182 LEU H H 1 7.671 0.02 . 1 . . . . 182 LEU H . 19239 1 612 . 1 1 182 182 LEU C C 13 171.194 0.3 . 1 . . . . 182 LEU C . 19239 1 613 . 1 1 182 182 LEU CA C 13 52.622 0.3 . 1 . . . . 182 LEU CA . 19239 1 614 . 1 1 182 182 LEU CB C 13 41.676 0.3 . 1 . . . . 182 LEU CB . 19239 1 615 . 1 1 182 182 LEU N N 15 114.513 0.3 . 1 . . . . 182 LEU N . 19239 1 616 . 1 1 183 183 LYS H H 1 8.471 0.02 . 1 . . . . 183 LYS H . 19239 1 617 . 1 1 183 183 LYS C C 13 173.863 0.3 . 1 . . . . 183 LYS C . 19239 1 618 . 1 1 183 183 LYS CA C 13 59.414 0.3 . 1 . . . . 183 LYS CA . 19239 1 619 . 1 1 183 183 LYS CB C 13 29.353 0.3 . 1 . . . . 183 LYS CB . 19239 1 620 . 1 1 183 183 LYS N N 15 117.034 0.3 . 1 . . . . 183 LYS N . 19239 1 621 . 1 1 184 184 TYR H H 1 8.326 0.02 . 1 . . . . 184 TYR H . 19239 1 622 . 1 1 184 184 TYR C C 13 173.837 0.3 . 1 . . . . 184 TYR C . 19239 1 623 . 1 1 184 184 TYR CA C 13 57.148 0.3 . 1 . . . . 184 TYR CA . 19239 1 624 . 1 1 184 184 TYR CB C 13 43.616 0.3 . 1 . . . . 184 TYR CB . 19239 1 625 . 1 1 184 184 TYR N N 15 119.985 0.3 . 1 . . . . 184 TYR N . 19239 1 626 . 1 1 185 185 TYR H H 1 7.608 0.02 . 1 . . . . 185 TYR H . 19239 1 627 . 1 1 185 185 TYR C C 13 172.552 0.3 . 1 . . . . 185 TYR C . 19239 1 628 . 1 1 185 185 TYR CA C 13 55.203 0.3 . 1 . . . . 185 TYR CA . 19239 1 629 . 1 1 185 185 TYR CB C 13 39.092 0.3 . 1 . . . . 185 TYR CB . 19239 1 630 . 1 1 185 185 TYR N N 15 123.805 0.3 . 1 . . . . 185 TYR N . 19239 1 631 . 1 1 186 186 SER H H 1 7.9 0.02 . 1 . . . . 186 SER H . 19239 1 632 . 1 1 186 186 SER C C 13 173.537 0.3 . 1 . . . . 186 SER C . 19239 1 633 . 1 1 186 186 SER CA C 13 56.402 0.3 . 1 . . . . 186 SER CA . 19239 1 634 . 1 1 186 186 SER CB C 13 61.634 0.3 . 1 . . . . 186 SER CB . 19239 1 635 . 1 1 186 186 SER N N 15 117.517 0.3 . 1 . . . . 186 SER N . 19239 1 636 . 1 1 187 187 GLY H H 1 8.74 0.02 . 1 . . . . 187 GLY H . 19239 1 637 . 1 1 187 187 GLY C C 13 173.659 0.3 . 1 . . . . 187 GLY C . 19239 1 638 . 1 1 187 187 GLY CA C 13 41.955 0.3 . 1 . . . . 187 GLY CA . 19239 1 639 . 1 1 187 187 GLY N N 15 106.323 0.3 . 1 . . . . 187 GLY N . 19239 1 640 . 1 1 188 188 ASP H H 1 8.273 0.02 . 1 . . . . 188 ASP H . 19239 1 641 . 1 1 188 188 ASP C C 13 173.024 0.3 . 1 . . . . 188 ASP C . 19239 1 642 . 1 1 188 188 ASP CA C 13 50.615 0.3 . 1 . . . . 188 ASP CA . 19239 1 643 . 1 1 188 188 ASP CB C 13 39.865 0.3 . 1 . . . . 188 ASP CB . 19239 1 644 . 1 1 188 188 ASP N N 15 117.649 0.3 . 1 . . . . 188 ASP N . 19239 1 645 . 1 1 190 190 VAL H H 1 7.937 0.02 . 1 . . . . 190 VAL H . 19239 1 646 . 1 1 190 190 VAL C C 13 173.411 0.3 . 1 . . . . 190 VAL C . 19239 1 647 . 1 1 190 190 VAL CA C 13 62.054 0.3 . 1 . . . . 190 VAL CA . 19239 1 648 . 1 1 190 190 VAL CB C 13 30.406 0.3 . 1 . . . . 190 VAL CB . 19239 1 649 . 1 1 190 190 VAL N N 15 119.368 0.3 . 1 . . . . 190 VAL N . 19239 1 650 . 1 1 191 191 VAL H H 1 8.229 0.02 . 1 . . . . 191 VAL H . 19239 1 651 . 1 1 191 191 VAL C C 13 171.043 0.3 . 1 . . . . 191 VAL C . 19239 1 652 . 1 1 191 191 VAL CA C 13 59.072 0.3 . 1 . . . . 191 VAL CA . 19239 1 653 . 1 1 191 191 VAL CB C 13 32.604 0.3 . 1 . . . . 191 VAL CB . 19239 1 654 . 1 1 191 191 VAL N N 15 125.205 0.3 . 1 . . . . 191 VAL N . 19239 1 655 . 1 1 192 192 GLN H H 1 8.486 0.02 . 1 . . . . 192 GLN H . 19239 1 656 . 1 1 192 192 GLN C C 13 171.066 0.3 . 1 . . . . 192 GLN C . 19239 1 657 . 1 1 192 192 GLN CA C 13 54.289 0.3 . 1 . . . . 192 GLN CA . 19239 1 658 . 1 1 192 192 GLN CB C 13 29.222 0.3 . 1 . . . . 192 GLN CB . 19239 1 659 . 1 1 192 192 GLN N N 15 124.764 0.3 . 1 . . . . 192 GLN N . 19239 1 660 . 1 1 193 193 GLY H H 1 9.075 0.02 . 1 . . . . 193 GLY H . 19239 1 661 . 1 1 193 193 GLY C C 13 172.723 0.3 . 1 . . . . 193 GLY C . 19239 1 662 . 1 1 193 193 GLY CA C 13 42.476 0.3 . 1 . . . . 193 GLY CA . 19239 1 663 . 1 1 193 193 GLY N N 15 109.801 0.3 . 1 . . . . 193 GLY N . 19239 1 664 . 1 1 194 194 VAL H H 1 8.487 0.02 . 1 . . . . 194 VAL H . 19239 1 665 . 1 1 194 194 VAL C C 13 172.779 0.3 . 1 . . . . 194 VAL C . 19239 1 666 . 1 1 194 194 VAL CA C 13 59.788 0.3 . 1 . . . . 194 VAL CA . 19239 1 667 . 1 1 194 194 VAL CB C 13 31.158 0.3 . 1 . . . . 194 VAL CB . 19239 1 668 . 1 1 194 194 VAL N N 15 117.303 0.3 . 1 . . . . 194 VAL N . 19239 1 669 . 1 1 195 195 ASN H H 1 9.196 0.02 . 1 . . . . 195 ASN H . 19239 1 670 . 1 1 195 195 ASN C C 13 175.563 0.3 . 1 . . . . 195 ASN C . 19239 1 671 . 1 1 195 195 ASN CA C 13 55.584 0.3 . 1 . . . . 195 ASN CA . 19239 1 672 . 1 1 195 195 ASN CB C 13 39.192 0.3 . 1 . . . . 195 ASN CB . 19239 1 673 . 1 1 195 195 ASN N N 15 121.504 0.3 . 1 . . . . 195 ASN N . 19239 1 674 . 1 1 196 196 GLY H H 1 8.715 0.02 . 1 . . . . 196 GLY H . 19239 1 675 . 1 1 196 196 GLY C C 13 173.705 0.3 . 1 . . . . 196 GLY C . 19239 1 676 . 1 1 196 196 GLY CA C 13 42.342 0.3 . 1 . . . . 196 GLY CA . 19239 1 677 . 1 1 196 196 GLY N N 15 110.098 0.3 . 1 . . . . 196 GLY N . 19239 1 678 . 1 1 197 197 PHE H H 1 7.234 0.02 . 1 . . . . 197 PHE H . 19239 1 679 . 1 1 197 197 PHE C C 13 175.442 0.3 . 1 . . . . 197 PHE C . 19239 1 680 . 1 1 197 197 PHE CA C 13 54.248 0.3 . 1 . . . . 197 PHE CA . 19239 1 681 . 1 1 197 197 PHE CB C 13 29.976 0.3 . 1 . . . . 197 PHE CB . 19239 1 682 . 1 1 197 197 PHE N N 15 121.058 0.3 . 1 . . . . 197 PHE N . 19239 1 683 . 1 1 198 198 GLU H H 1 8.158 0.02 . 1 . . . . 198 GLU H . 19239 1 684 . 1 1 198 198 GLU C C 13 173.853 0.3 . 1 . . . . 198 GLU C . 19239 1 685 . 1 1 198 198 GLU CA C 13 52.383 0.3 . 1 . . . . 198 GLU CA . 19239 1 686 . 1 1 198 198 GLU CB C 13 38.442 0.3 . 1 . . . . 198 GLU CB . 19239 1 687 . 1 1 198 198 GLU N N 15 118.218 0.3 . 1 . . . . 198 GLU N . 19239 1 688 . 1 1 199 199 ALA H H 1 8.048 0.02 . 1 . . . . 199 ALA H . 19239 1 689 . 1 1 199 199 ALA C C 13 175.207 0.3 . 1 . . . . 199 ALA C . 19239 1 690 . 1 1 199 199 ALA CA C 13 50.349 0.3 . 1 . . . . 199 ALA CA . 19239 1 691 . 1 1 199 199 ALA CB C 13 16.408 0.3 . 1 . . . . 199 ALA CB . 19239 1 692 . 1 1 199 199 ALA N N 15 124.104 0.3 . 1 . . . . 199 ALA N . 19239 1 693 . 1 1 200 200 GLU H H 1 8.116 0.02 . 1 . . . . 200 GLU H . 19239 1 694 . 1 1 200 200 GLU C C 13 174.059 0.3 . 1 . . . . 200 GLU C . 19239 1 695 . 1 1 200 200 GLU CA C 13 52.321 0.3 . 1 . . . . 200 GLU CA . 19239 1 696 . 1 1 200 200 GLU CB C 13 38.417 0.3 . 1 . . . . 200 GLU CB . 19239 1 697 . 1 1 200 200 GLU N N 15 118.904 0.3 . 1 . . . . 200 GLU N . 19239 1 698 . 1 1 201 201 PHE H H 1 7.932 0.02 . 1 . . . . 201 PHE H . 19239 1 699 . 1 1 201 201 PHE C C 13 172.835 0.3 . 1 . . . . 201 PHE C . 19239 1 700 . 1 1 201 201 PHE CA C 13 57.166 0.3 . 1 . . . . 201 PHE CA . 19239 1 701 . 1 1 201 201 PHE CB C 13 42.575 0.3 . 1 . . . . 201 PHE CB . 19239 1 702 . 1 1 201 201 PHE N N 15 120.901 0.3 . 1 . . . . 201 PHE N . 19239 1 703 . 1 1 202 202 SER H H 1 7.835 0.02 . 1 . . . . 202 SER H . 19239 1 704 . 1 1 202 202 SER C C 13 170.857 0.3 . 1 . . . . 202 SER C . 19239 1 705 . 1 1 202 202 SER CA C 13 59.182 0.3 . 1 . . . . 202 SER CA . 19239 1 706 . 1 1 202 202 SER CB C 13 65.017 0.3 . 1 . . . . 202 SER CB . 19239 1 707 . 1 1 202 202 SER N N 15 120.946 0.3 . 1 . . . . 202 SER N . 19239 1 708 . 1 1 203 203 LYS H H 1 7.972 0.02 . 1 . . . . 203 LYS H . 19239 1 709 . 1 1 203 203 LYS C C 13 171.811 0.3 . 1 . . . . 203 LYS C . 19239 1 710 . 1 1 203 203 LYS CA C 13 55.403 0.3 . 1 . . . . 203 LYS CA . 19239 1 711 . 1 1 203 203 LYS CB C 13 34.233 0.3 . 1 . . . . 203 LYS CB . 19239 1 712 . 1 1 203 203 LYS N N 15 127.809 0.3 . 1 . . . . 203 LYS N . 19239 1 713 . 1 1 204 204 SER H H 1 8.298 0.02 . 1 . . . . 204 SER H . 19239 1 714 . 1 1 204 204 SER C C 13 171.729 0.3 . 1 . . . . 204 SER C . 19239 1 715 . 1 1 204 204 SER CA C 13 53.709 0.3 . 1 . . . . 204 SER CA . 19239 1 716 . 1 1 204 204 SER CB C 13 66.347 0.3 . 1 . . . . 204 SER CB . 19239 1 717 . 1 1 204 204 SER N N 15 111.986 0.3 . 1 . . . . 204 SER N . 19239 1 718 . 1 1 205 205 ASN H H 1 7.495 0.02 . 1 . . . . 205 ASN H . 19239 1 719 . 1 1 205 205 ASN C C 13 173.421 0.3 . 1 . . . . 205 ASN C . 19239 1 720 . 1 1 205 205 ASN CA C 13 53.706 0.3 . 1 . . . . 205 ASN CA . 19239 1 721 . 1 1 205 205 ASN CB C 13 39.541 0.3 . 1 . . . . 205 ASN CB . 19239 1 722 . 1 1 205 205 ASN N N 15 118.309 0.3 . 1 . . . . 205 ASN N . 19239 1 723 . 1 1 206 206 SER H H 1 7.431 0.02 . 1 . . . . 206 SER H . 19239 1 724 . 1 1 206 206 SER C C 13 175.211 0.3 . 1 . . . . 206 SER C . 19239 1 725 . 1 1 206 206 SER CA C 13 56.761 0.3 . 1 . . . . 206 SER CA . 19239 1 726 . 1 1 206 206 SER CB C 13 64.332 0.3 . 1 . . . . 206 SER CB . 19239 1 727 . 1 1 206 206 SER N N 15 113.456 0.3 . 1 . . . . 206 SER N . 19239 1 728 . 1 1 207 207 SER H H 1 7.549 0.02 . 1 . . . . 207 SER H . 19239 1 729 . 1 1 207 207 SER C C 13 170.806 0.3 . 1 . . . . 207 SER C . 19239 1 730 . 1 1 207 207 SER CA C 13 61.387 0.3 . 1 . . . . 207 SER CA . 19239 1 731 . 1 1 207 207 SER CB C 13 65.455 0.3 . 1 . . . . 207 SER CB . 19239 1 732 . 1 1 207 207 SER N N 15 111.847 0.3 . 1 . . . . 207 SER N . 19239 1 733 . 1 1 208 208 PHE H H 1 8.704 0.02 . 1 . . . . 208 PHE H . 19239 1 734 . 1 1 208 208 PHE C C 13 171.687 0.3 . 1 . . . . 208 PHE C . 19239 1 735 . 1 1 208 208 PHE CA C 13 57.404 0.3 . 1 . . . . 208 PHE CA . 19239 1 736 . 1 1 208 208 PHE CB C 13 42.255 0.3 . 1 . . . . 208 PHE CB . 19239 1 737 . 1 1 208 208 PHE N N 15 122.612 0.3 . 1 . . . . 208 PHE N . 19239 1 738 . 1 1 209 209 HIS H H 1 7.488 0.02 . 1 . . . . 209 HIS H . 19239 1 739 . 1 1 209 209 HIS C C 13 172.233 0.3 . 1 . . . . 209 HIS C . 19239 1 740 . 1 1 209 209 HIS CA C 13 58.716 0.3 . 1 . . . . 209 HIS CA . 19239 1 741 . 1 1 209 209 HIS CB C 13 30.936 0.3 . 1 . . . . 209 HIS CB . 19239 1 742 . 1 1 209 209 HIS N N 15 117.306 0.3 . 1 . . . . 209 HIS N . 19239 1 743 . 1 1 210 210 LEU H H 1 8.853 0.02 . 1 . . . . 210 LEU H . 19239 1 744 . 1 1 210 210 LEU C C 13 171.471 0.3 . 1 . . . . 210 LEU C . 19239 1 745 . 1 1 210 210 LEU CA C 13 51.979 0.3 . 1 . . . . 210 LEU CA . 19239 1 746 . 1 1 210 210 LEU CB C 13 42.492 0.3 . 1 . . . . 210 LEU CB . 19239 1 747 . 1 1 210 210 LEU N N 15 125.036 0.3 . 1 . . . . 210 LEU N . 19239 1 748 . 1 1 211 211 ARG H H 1 8.829 0.02 . 1 . . . . 211 ARG H . 19239 1 749 . 1 1 211 211 ARG C C 13 169.553 0.3 . 1 . . . . 211 ARG C . 19239 1 750 . 1 1 211 211 ARG CA C 13 56.034 0.3 . 1 . . . . 211 ARG CA . 19239 1 751 . 1 1 211 211 ARG CB C 13 38.404 0.3 . 1 . . . . 211 ARG CB . 19239 1 752 . 1 1 211 211 ARG N N 15 122.727 0.3 . 1 . . . . 211 ARG N . 19239 1 753 . 1 1 212 212 LYS H H 1 7.994 0.02 . 1 . . . . 212 LYS H . 19239 1 754 . 1 1 212 212 LYS C C 13 171.641 0.3 . 1 . . . . 212 LYS C . 19239 1 755 . 1 1 212 212 LYS CA C 13 54.121 0.3 . 1 . . . . 212 LYS CA . 19239 1 756 . 1 1 212 212 LYS CB C 13 33.703 0.3 . 1 . . . . 212 LYS CB . 19239 1 757 . 1 1 212 212 LYS N N 15 123.414 0.3 . 1 . . . . 212 LYS N . 19239 1 758 . 1 1 213 213 ALA H H 1 8.568 0.02 . 1 . . . . 213 ALA H . 19239 1 759 . 1 1 213 213 ALA C C 13 174.812 0.3 . 1 . . . . 213 ALA C . 19239 1 760 . 1 1 213 213 ALA CA C 13 52.467 0.3 . 1 . . . . 213 ALA CA . 19239 1 761 . 1 1 213 213 ALA CB C 13 17.685 0.3 . 1 . . . . 213 ALA CB . 19239 1 762 . 1 1 213 213 ALA N N 15 129.145 0.3 . 1 . . . . 213 ALA N . 19239 1 763 . 1 1 214 214 SER H H 1 7.869 0.02 . 1 . . . . 214 SER H . 19239 1 764 . 1 1 214 214 SER C C 13 170.546 0.3 . 1 . . . . 214 SER C . 19239 1 765 . 1 1 214 214 SER CA C 13 54.989 0.3 . 1 . . . . 214 SER CA . 19239 1 766 . 1 1 214 214 SER CB C 13 65.469 0.3 . 1 . . . . 214 SER CB . 19239 1 767 . 1 1 214 214 SER N N 15 112.214 0.3 . 1 . . . . 214 SER N . 19239 1 768 . 1 1 215 215 VAL H H 1 8.577 0.02 . 1 . . . . 215 VAL H . 19239 1 769 . 1 1 215 215 VAL C C 13 171.293 0.3 . 1 . . . . 215 VAL C . 19239 1 770 . 1 1 215 215 VAL CA C 13 63.053 0.3 . 1 . . . . 215 VAL CA . 19239 1 771 . 1 1 215 215 VAL CB C 13 30.415 0.3 . 1 . . . . 215 VAL CB . 19239 1 772 . 1 1 215 215 VAL N N 15 126.508 0.3 . 1 . . . . 215 VAL N . 19239 1 773 . 1 1 216 216 HIS H H 1 9.001 0.02 . 1 . . . . 216 HIS H . 19239 1 774 . 1 1 216 216 HIS C C 13 173.176 0.3 . 1 . . . . 216 HIS C . 19239 1 775 . 1 1 216 216 HIS CA C 13 54.599 0.3 . 1 . . . . 216 HIS CA . 19239 1 776 . 1 1 216 216 HIS CB C 13 30.416 0.3 . 1 . . . . 216 HIS CB . 19239 1 777 . 1 1 216 216 HIS N N 15 126.104 0.3 . 1 . . . . 216 HIS N . 19239 1 778 . 1 1 217 217 ARG H H 1 9.347 0.02 . 1 . . . . 217 ARG H . 19239 1 779 . 1 1 217 217 ARG C C 13 172.013 0.3 . 1 . . . . 217 ARG C . 19239 1 780 . 1 1 217 217 ARG CA C 13 54.354 0.3 . 1 . . . . 217 ARG CA . 19239 1 781 . 1 1 217 217 ARG CB C 13 33.262 0.3 . 1 . . . . 217 ARG CB . 19239 1 782 . 1 1 217 217 ARG N N 15 119.206 0.3 . 1 . . . . 217 ARG N . 19239 1 783 . 1 1 218 218 SER H H 1 8.46 0.02 . 1 . . . . 218 SER H . 19239 1 784 . 1 1 218 218 SER C C 13 171.962 0.3 . 1 . . . . 218 SER C . 19239 1 785 . 1 1 218 218 SER CA C 13 57.468 0.3 . 1 . . . . 218 SER CA . 19239 1 786 . 1 1 218 218 SER CB C 13 64.756 0.3 . 1 . . . . 218 SER CB . 19239 1 787 . 1 1 218 218 SER N N 15 108.064 0.3 . 1 . . . . 218 SER N . 19239 1 788 . 1 1 219 219 ASP H H 1 7.33 0.02 . 1 . . . . 219 ASP H . 19239 1 789 . 1 1 219 219 ASP C C 13 171.661 0.3 . 1 . . . . 219 ASP C . 19239 1 790 . 1 1 219 219 ASP CA C 13 51.305 0.3 . 1 . . . . 219 ASP CA . 19239 1 791 . 1 1 219 219 ASP CB C 13 39.719 0.3 . 1 . . . . 219 ASP CB . 19239 1 792 . 1 1 219 219 ASP N N 15 117.309 0.3 . 1 . . . . 219 ASP N . 19239 1 793 . 1 1 220 220 SER H H 1 8.688 0.02 . 1 . . . . 220 SER H . 19239 1 794 . 1 1 220 220 SER C C 13 172.485 0.3 . 1 . . . . 220 SER C . 19239 1 795 . 1 1 220 220 SER CA C 13 55.696 0.3 . 1 . . . . 220 SER CA . 19239 1 796 . 1 1 220 220 SER CB C 13 61.209 0.3 . 1 . . . . 220 SER CB . 19239 1 797 . 1 1 220 220 SER N N 15 115.322 0.3 . 1 . . . . 220 SER N . 19239 1 798 . 1 1 221 221 ALA H H 1 8.125 0.02 . 1 . . . . 221 ALA H . 19239 1 799 . 1 1 221 221 ALA C C 13 171.919 0.3 . 1 . . . . 221 ALA C . 19239 1 800 . 1 1 221 221 ALA CA C 13 49.283 0.3 . 1 . . . . 221 ALA CA . 19239 1 801 . 1 1 221 221 ALA CB C 13 18.188 0.3 . 1 . . . . 221 ALA CB . 19239 1 802 . 1 1 221 221 ALA N N 15 126.704 0.3 . 1 . . . . 221 ALA N . 19239 1 803 . 1 1 222 222 VAL H H 1 7.296 0.02 . 1 . . . . 222 VAL H . 19239 1 804 . 1 1 222 222 VAL C C 13 173.125 0.3 . 1 . . . . 222 VAL C . 19239 1 805 . 1 1 222 222 VAL CA C 13 59.106 0.3 . 1 . . . . 222 VAL CA . 19239 1 806 . 1 1 222 222 VAL CB C 13 33.593 0.3 . 1 . . . . 222 VAL CB . 19239 1 807 . 1 1 222 222 VAL N N 15 117.829 0.3 . 1 . . . . 222 VAL N . 19239 1 808 . 1 1 223 223 TYR H H 1 8.237 0.02 . 1 . . . . 223 TYR H . 19239 1 809 . 1 1 223 223 TYR C C 13 172.732 0.3 . 1 . . . . 223 TYR C . 19239 1 810 . 1 1 223 223 TYR CA C 13 52.334 0.3 . 1 . . . . 223 TYR CA . 19239 1 811 . 1 1 223 223 TYR CB C 13 36.766 0.3 . 1 . . . . 223 TYR CB . 19239 1 812 . 1 1 223 223 TYR N N 15 127.382 0.3 . 1 . . . . 223 TYR N . 19239 1 813 . 1 1 224 224 PHE H H 1 9.366 0.02 . 1 . . . . 224 PHE H . 19239 1 814 . 1 1 224 224 PHE C C 13 173.885 0.3 . 1 . . . . 224 PHE C . 19239 1 815 . 1 1 224 224 PHE CA C 13 59.055 0.3 . 1 . . . . 224 PHE CA . 19239 1 816 . 1 1 224 224 PHE CB C 13 38.581 0.3 . 1 . . . . 224 PHE CB . 19239 1 817 . 1 1 224 224 PHE N N 15 121.105 0.3 . 1 . . . . 224 PHE N . 19239 1 818 . 1 1 225 225 CYS H H 1 8.353 0.02 . 1 . . . . 225 CYS H . 19239 1 819 . 1 1 225 225 CYS C C 13 174.282 0.3 . 1 . . . . 225 CYS C . 19239 1 820 . 1 1 225 225 CYS CA C 13 54.462 0.3 . 1 . . . . 225 CYS CA . 19239 1 821 . 1 1 225 225 CYS CB C 13 45.532 0.3 . 1 . . . . 225 CYS CB . 19239 1 822 . 1 1 225 225 CYS N N 15 121.204 0.3 . 1 . . . . 225 CYS N . 19239 1 823 . 1 1 226 226 ALA H H 1 8.916 0.02 . 1 . . . . 226 ALA H . 19239 1 824 . 1 1 226 226 ALA C C 13 171.883 0.3 . 1 . . . . 226 ALA C . 19239 1 825 . 1 1 226 226 ALA CA C 13 49.334 0.3 . 1 . . . . 226 ALA CA . 19239 1 826 . 1 1 226 226 ALA CB C 13 18.111 0.3 . 1 . . . . 226 ALA CB . 19239 1 827 . 1 1 226 226 ALA N N 15 123.512 0.3 . 1 . . . . 226 ALA N . 19239 1 828 . 1 1 227 227 VAL H H 1 7.305 0.02 . 1 . . . . 227 VAL H . 19239 1 829 . 1 1 227 227 VAL C C 13 172.816 0.3 . 1 . . . . 227 VAL C . 19239 1 830 . 1 1 227 227 VAL CA C 13 59.113 0.3 . 1 . . . . 227 VAL CA . 19239 1 831 . 1 1 227 227 VAL CB C 13 31.425 0.3 . 1 . . . . 227 VAL CB . 19239 1 832 . 1 1 227 227 VAL N N 15 117.927 0.3 . 1 . . . . 227 VAL N . 19239 1 833 . 1 1 228 228 SER H H 1 7.018 0.02 . 1 . . . . 228 SER H . 19239 1 834 . 1 1 228 228 SER C C 13 171.198 0.3 . 1 . . . . 228 SER C . 19239 1 835 . 1 1 228 228 SER CA C 13 55.585 0.3 . 1 . . . . 228 SER CA . 19239 1 836 . 1 1 228 228 SER CB C 13 61.313 0.3 . 1 . . . . 228 SER CB . 19239 1 837 . 1 1 228 228 SER N N 15 115.054 0.3 . 1 . . . . 228 SER N . 19239 1 838 . 1 1 229 229 GLY H H 1 7.982 0.02 . 1 . . . . 229 GLY H . 19239 1 839 . 1 1 229 229 GLY C C 13 171.885 0.3 . 1 . . . . 229 GLY C . 19239 1 840 . 1 1 229 229 GLY CA C 13 43.927 0.3 . 1 . . . . 229 GLY CA . 19239 1 841 . 1 1 229 229 GLY N N 15 116.659 0.3 . 1 . . . . 229 GLY N . 19239 1 842 . 1 1 230 230 PHE H H 1 9.042 0.02 . 1 . . . . 230 PHE H . 19239 1 843 . 1 1 230 230 PHE C C 13 170.813 0.3 . 1 . . . . 230 PHE C . 19239 1 844 . 1 1 230 230 PHE CA C 13 57.202 0.3 . 1 . . . . 230 PHE CA . 19239 1 845 . 1 1 230 230 PHE CB C 13 40.413 0.3 . 1 . . . . 230 PHE CB . 19239 1 846 . 1 1 230 230 PHE N N 15 123.086 0.3 . 1 . . . . 230 PHE N . 19239 1 847 . 1 1 231 231 ALA H H 1 8.019 0.02 . 1 . . . . 231 ALA H . 19239 1 848 . 1 1 231 231 ALA C C 13 173.064 0.3 . 1 . . . . 231 ALA C . 19239 1 849 . 1 1 231 231 ALA CA C 13 50.532 0.3 . 1 . . . . 231 ALA CA . 19239 1 850 . 1 1 231 231 ALA CB C 13 22.418 0.3 . 1 . . . . 231 ALA CB . 19239 1 851 . 1 1 231 231 ALA N N 15 128.409 0.3 . 1 . . . . 231 ALA N . 19239 1 852 . 1 1 232 232 SER H H 1 8.283 0.02 . 1 . . . . 232 SER H . 19239 1 853 . 1 1 232 232 SER C C 13 170.051 0.3 . 1 . . . . 232 SER C . 19239 1 854 . 1 1 232 232 SER CA C 13 57.259 0.3 . 1 . . . . 232 SER CA . 19239 1 855 . 1 1 232 232 SER CB C 13 61.187 0.3 . 1 . . . . 232 SER CB . 19239 1 856 . 1 1 232 232 SER N N 15 111.102 0.3 . 1 . . . . 232 SER N . 19239 1 857 . 1 1 233 233 ALA H H 1 8.07 0.02 . 1 . . . . 233 ALA H . 19239 1 858 . 1 1 233 233 ALA C C 13 174.551 0.3 . 1 . . . . 233 ALA C . 19239 1 859 . 1 1 233 233 ALA CA C 13 52.386 0.3 . 1 . . . . 233 ALA CA . 19239 1 860 . 1 1 233 233 ALA CB C 13 16.396 0.3 . 1 . . . . 233 ALA CB . 19239 1 861 . 1 1 233 233 ALA N N 15 120.926 0.3 . 1 . . . . 233 ALA N . 19239 1 862 . 1 1 234 234 LEU H H 1 7.857 0.02 . 1 . . . . 234 LEU H . 19239 1 863 . 1 1 234 234 LEU C C 13 176.069 0.3 . 1 . . . . 234 LEU C . 19239 1 864 . 1 1 234 234 LEU CA C 13 52.373 0.3 . 1 . . . . 234 LEU CA . 19239 1 865 . 1 1 234 234 LEU CB C 13 39.721 0.3 . 1 . . . . 234 LEU CB . 19239 1 866 . 1 1 234 234 LEU N N 15 121.001 0.3 . 1 . . . . 234 LEU N . 19239 1 867 . 1 1 235 235 THR H H 1 8.171 0.02 . 1 . . . . 235 THR H . 19239 1 868 . 1 1 235 235 THR C C 13 173.461 0.3 . 1 . . . . 235 THR C . 19239 1 869 . 1 1 235 235 THR CA C 13 59.377 0.3 . 1 . . . . 235 THR CA . 19239 1 870 . 1 1 235 235 THR CB C 13 71.495 0.3 . 1 . . . . 235 THR CB . 19239 1 871 . 1 1 235 235 THR N N 15 119.173 0.3 . 1 . . . . 235 THR N . 19239 1 872 . 1 1 236 236 PHE H H 1 8.631 0.02 . 1 . . . . 236 PHE H . 19239 1 873 . 1 1 236 236 PHE C C 13 169.883 0.3 . 1 . . . . 236 PHE C . 19239 1 874 . 1 1 236 236 PHE CA C 13 54.396 0.3 . 1 . . . . 236 PHE CA . 19239 1 875 . 1 1 236 236 PHE CB C 13 42.723 0.3 . 1 . . . . 236 PHE CB . 19239 1 876 . 1 1 236 236 PHE N N 15 125.127 0.3 . 1 . . . . 236 PHE N . 19239 1 877 . 1 1 237 237 GLY H H 1 8.515 0.02 . 1 . . . . 237 GLY H . 19239 1 878 . 1 1 237 237 GLY C C 13 169.202 0.3 . 1 . . . . 237 GLY C . 19239 1 879 . 1 1 237 237 GLY CA C 13 42.729 0.3 . 1 . . . . 237 GLY CA . 19239 1 880 . 1 1 237 237 GLY N N 15 106.857 0.3 . 1 . . . . 237 GLY N . 19239 1 881 . 1 1 238 238 SER H H 1 8.495 0.02 . 1 . . . . 238 SER H . 19239 1 882 . 1 1 238 238 SER C C 13 171.179 0.3 . 1 . . . . 238 SER C . 19239 1 883 . 1 1 238 238 SER CA C 13 55.766 0.3 . 1 . . . . 238 SER CA . 19239 1 884 . 1 1 238 238 SER CB C 13 61.315 0.3 . 1 . . . . 238 SER CB . 19239 1 885 . 1 1 238 238 SER N N 15 114.388 0.3 . 1 . . . . 238 SER N . 19239 1 886 . 1 1 239 239 GLY H H 1 7.99 0.02 . 1 . . . . 239 GLY H . 19239 1 887 . 1 1 239 239 GLY C C 13 176.231 0.3 . 1 . . . . 239 GLY C . 19239 1 888 . 1 1 239 239 GLY CA C 13 43.528 0.3 . 1 . . . . 239 GLY CA . 19239 1 889 . 1 1 239 239 GLY N N 15 116.702 0.3 . 1 . . . . 239 GLY N . 19239 1 890 . 1 1 240 240 THR H H 1 8.184 0.02 . 1 . . . . 240 THR H . 19239 1 891 . 1 1 240 240 THR C C 13 171.575 0.3 . 1 . . . . 240 THR C . 19239 1 892 . 1 1 240 240 THR CA C 13 57.117 0.3 . 1 . . . . 240 THR CA . 19239 1 893 . 1 1 240 240 THR CB C 13 67.317 0.3 . 1 . . . . 240 THR CB . 19239 1 894 . 1 1 240 240 THR N N 15 115.319 0.3 . 1 . . . . 240 THR N . 19239 1 895 . 1 1 241 241 LYS H H 1 8.666 0.02 . 1 . . . . 241 LYS H . 19239 1 896 . 1 1 241 241 LYS C C 13 171.373 0.3 . 1 . . . . 241 LYS C . 19239 1 897 . 1 1 241 241 LYS CA C 13 53.934 0.3 . 1 . . . . 241 LYS CA . 19239 1 898 . 1 1 241 241 LYS CB C 13 32.409 0.3 . 1 . . . . 241 LYS CB . 19239 1 899 . 1 1 241 241 LYS N N 15 130.075 0.3 . 1 . . . . 241 LYS N . 19239 1 900 . 1 1 242 242 VAL H H 1 8.909 0.02 . 1 . . . . 242 VAL H . 19239 1 901 . 1 1 242 242 VAL C C 13 171.803 0.3 . 1 . . . . 242 VAL C . 19239 1 902 . 1 1 242 242 VAL CA C 13 59.094 0.3 . 1 . . . . 242 VAL CA . 19239 1 903 . 1 1 242 242 VAL CB C 13 30.563 0.3 . 1 . . . . 242 VAL CB . 19239 1 904 . 1 1 242 242 VAL N N 15 126.255 0.3 . 1 . . . . 242 VAL N . 19239 1 905 . 1 1 243 243 ILE H H 1 7.803 0.02 . 1 . . . . 243 ILE H . 19239 1 906 . 1 1 243 243 ILE C C 13 173.314 0.3 . 1 . . . . 243 ILE C . 19239 1 907 . 1 1 243 243 ILE CA C 13 61.664 0.3 . 1 . . . . 243 ILE CA . 19239 1 908 . 1 1 243 243 ILE CB C 13 38.698 0.3 . 1 . . . . 243 ILE CB . 19239 1 909 . 1 1 243 243 ILE N N 15 126.729 0.3 . 1 . . . . 243 ILE N . 19239 1 910 . 1 1 244 244 VAL H H 1 8.295 0.02 . 1 . . . . 244 VAL H . 19239 1 911 . 1 1 244 244 VAL C C 13 170.169 0.3 . 1 . . . . 244 VAL C . 19239 1 912 . 1 1 244 244 VAL CA C 13 60.738 0.3 . 1 . . . . 244 VAL CA . 19239 1 913 . 1 1 244 244 VAL CB C 13 35.258 0.3 . 1 . . . . 244 VAL CB . 19239 1 914 . 1 1 244 244 VAL N N 15 125.838 0.3 . 1 . . . . 244 VAL N . 19239 1 915 . 1 1 245 245 LEU H H 1 8.336 0.02 . 1 . . . . 245 LEU H . 19239 1 916 . 1 1 245 245 LEU C C 13 173.993 0.3 . 1 . . . . 245 LEU C . 19239 1 917 . 1 1 245 245 LEU CA C 13 56.629 0.3 . 1 . . . . 245 LEU CA . 19239 1 918 . 1 1 245 245 LEU CB C 13 42.817 0.3 . 1 . . . . 245 LEU CB . 19239 1 919 . 1 1 245 245 LEU N N 15 126.913 0.3 . 1 . . . . 245 LEU N . 19239 1 stop_ save_