data_25410 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25410 _Entry.Title ; Backbone assignments of a construct of the Sigma-1 receptor spanning residues 35-223 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-01-04 _Entry.Accession_date 2015-01-04 _Entry.Last_release_date 2016-06-30 _Entry.Original_release_date 2016-06-30 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _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.ORCID _Entry_author.Entry_ID 1 'Jose L.' Ortega-Roldan . . . . 25410 2 Jason Schnell . . . . 25410 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25410 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 429 25410 '15N chemical shifts' 169 25410 '1H chemical shifts' 168 25410 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 . . 2016-06-30 . original BMRB . 25410 stop_ save_ ############### # Citations # ############### save_S1ch _Citation.Sf_category citations _Citation.Sf_framecode S1ch _Citation.Entry_ID 25410 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25647032 _Citation.Full_citation . _Citation.Title ; Solution NMR studies reveal the location of the second transmembrane domain of the human sigma-1 receptor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 589 _Citation.Journal_issue 5 _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 659 _Citation.Page_last 665 _Citation.Year 2015 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Jose Luis' Ortega-Roldan . . . . 25410 1 2 Felipe Ossa . . . . 25410 1 3 Nader Amin . . . . 25410 1 4 Jason Schnell . . . . 25410 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25410 _Assembly.ID 1 _Assembly.Name 'Sigma-1 receptor delta 35 construct' _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 'Sigma-1 receptor delta 35 construct' 1 $Sigma-1_Receptor_delta35 A . yes native no no . . . 25410 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sigma-1_Receptor_delta35 _Entity.Sf_category entity _Entity.Sf_framecode Sigma-1_Receptor_delta35 _Entity.Entry_ID 25410 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Sigma-1_Receptor_delta35 _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 ; MNHKVHHHHHHIEGRHMFVF QREEIAQLARQYAGLDHELA FSRLIVELRRLHPGHVLPDE ELQWVFVNAGGWMGAMALLH ASLSEYVLLFGTALGSRGHS GRYWAEISDTIISGTFHQWR EGTTKSEVFYPGETVVHGPG EATAVEWGPNTWMVEYGRGV IPSTLAFALADTVFSTQDFL TLFYTLRSYARGLRLELTTY LFGQDPGPGEATAVEWGPNT WMVEYGRGVIPSTLAFALAD TVFSTQDFLTLFYTLRSYAR GLRLELTTYLFGQDP ; _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 275 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 18 MET . 25410 1 2 19 ASN . 25410 1 3 20 HIS . 25410 1 4 21 LYS . 25410 1 5 22 VAL . 25410 1 6 23 HIS . 25410 1 7 24 HIS . 25410 1 8 25 HIS . 25410 1 9 26 HIS . 25410 1 10 27 HIS . 25410 1 11 28 HIS . 25410 1 12 29 ILE . 25410 1 13 30 GLU . 25410 1 14 31 GLY . 25410 1 15 32 ARG . 25410 1 16 33 HIS . 25410 1 17 34 MET . 25410 1 18 35 PHE . 25410 1 19 36 VAL . 25410 1 20 37 PHE . 25410 1 21 38 GLN . 25410 1 22 39 ARG . 25410 1 23 40 GLU . 25410 1 24 41 GLU . 25410 1 25 42 ILE . 25410 1 26 43 ALA . 25410 1 27 44 GLN . 25410 1 28 45 LEU . 25410 1 29 46 ALA . 25410 1 30 47 ARG . 25410 1 31 48 GLN . 25410 1 32 49 TYR . 25410 1 33 50 ALA . 25410 1 34 51 GLY . 25410 1 35 52 LEU . 25410 1 36 53 ASP . 25410 1 37 54 HIS . 25410 1 38 55 GLU . 25410 1 39 56 LEU . 25410 1 40 57 ALA . 25410 1 41 58 PHE . 25410 1 42 59 SER . 25410 1 43 60 ARG . 25410 1 44 61 LEU . 25410 1 45 62 ILE . 25410 1 46 63 VAL . 25410 1 47 64 GLU . 25410 1 48 65 LEU . 25410 1 49 66 ARG . 25410 1 50 67 ARG . 25410 1 51 68 LEU . 25410 1 52 69 HIS . 25410 1 53 70 PRO . 25410 1 54 71 GLY . 25410 1 55 72 HIS . 25410 1 56 73 VAL . 25410 1 57 74 LEU . 25410 1 58 75 PRO . 25410 1 59 76 ASP . 25410 1 60 77 GLU . 25410 1 61 78 GLU . 25410 1 62 79 LEU . 25410 1 63 80 GLN . 25410 1 64 81 TRP . 25410 1 65 82 VAL . 25410 1 66 83 PHE . 25410 1 67 84 VAL . 25410 1 68 85 ASN . 25410 1 69 86 ALA . 25410 1 70 87 GLY . 25410 1 71 88 GLY . 25410 1 72 89 TRP . 25410 1 73 90 MET . 25410 1 74 91 GLY . 25410 1 75 92 ALA . 25410 1 76 93 MET . 25410 1 77 94 ALA . 25410 1 78 95 LEU . 25410 1 79 96 LEU . 25410 1 80 97 HIS . 25410 1 81 98 ALA . 25410 1 82 99 SER . 25410 1 83 100 LEU . 25410 1 84 101 SER . 25410 1 85 102 GLU . 25410 1 86 103 TYR . 25410 1 87 104 VAL . 25410 1 88 105 LEU . 25410 1 89 106 LEU . 25410 1 90 107 PHE . 25410 1 91 108 GLY . 25410 1 92 109 THR . 25410 1 93 110 ALA . 25410 1 94 111 LEU . 25410 1 95 112 GLY . 25410 1 96 113 SER . 25410 1 97 114 ARG . 25410 1 98 115 GLY . 25410 1 99 116 HIS . 25410 1 100 117 SER . 25410 1 101 118 GLY . 25410 1 102 119 ARG . 25410 1 103 120 TYR . 25410 1 104 121 TRP . 25410 1 105 122 ALA . 25410 1 106 123 GLU . 25410 1 107 124 ILE . 25410 1 108 125 SER . 25410 1 109 126 ASP . 25410 1 110 127 THR . 25410 1 111 128 ILE . 25410 1 112 129 ILE . 25410 1 113 130 SER . 25410 1 114 131 GLY . 25410 1 115 132 THR . 25410 1 116 133 PHE . 25410 1 117 134 HIS . 25410 1 118 135 GLN . 25410 1 119 136 TRP . 25410 1 120 137 ARG . 25410 1 121 138 GLU . 25410 1 122 139 GLY . 25410 1 123 140 THR . 25410 1 124 141 THR . 25410 1 125 142 LYS . 25410 1 126 143 SER . 25410 1 127 144 GLU . 25410 1 128 145 VAL . 25410 1 129 146 PHE . 25410 1 130 147 TYR . 25410 1 131 148 PRO . 25410 1 132 149 GLY . 25410 1 133 150 GLU . 25410 1 134 151 THR . 25410 1 135 152 VAL . 25410 1 136 153 VAL . 25410 1 137 154 HIS . 25410 1 138 155 GLY . 25410 1 139 156 PRO . 25410 1 140 157 GLY . 25410 1 141 158 GLU . 25410 1 142 159 ALA . 25410 1 143 160 THR . 25410 1 144 161 ALA . 25410 1 145 162 VAL . 25410 1 146 163 GLU . 25410 1 147 164 TRP . 25410 1 148 165 GLY . 25410 1 149 166 PRO . 25410 1 150 167 ASN . 25410 1 151 168 THR . 25410 1 152 169 TRP . 25410 1 153 170 MET . 25410 1 154 171 VAL . 25410 1 155 172 GLU . 25410 1 156 173 TYR . 25410 1 157 174 GLY . 25410 1 158 175 ARG . 25410 1 159 176 GLY . 25410 1 160 177 VAL . 25410 1 161 178 ILE . 25410 1 162 179 PRO . 25410 1 163 180 SER . 25410 1 164 181 THR . 25410 1 165 182 LEU . 25410 1 166 183 ALA . 25410 1 167 184 PHE . 25410 1 168 185 ALA . 25410 1 169 186 LEU . 25410 1 170 187 ALA . 25410 1 171 188 ASP . 25410 1 172 189 THR . 25410 1 173 190 VAL . 25410 1 174 191 PHE . 25410 1 175 192 SER . 25410 1 176 193 THR . 25410 1 177 194 GLN . 25410 1 178 195 ASP . 25410 1 179 196 PHE . 25410 1 180 197 LEU . 25410 1 181 198 THR . 25410 1 182 199 LEU . 25410 1 183 200 PHE . 25410 1 184 201 TYR . 25410 1 185 202 THR . 25410 1 186 203 LEU . 25410 1 187 204 ARG . 25410 1 188 205 SER . 25410 1 189 206 TYR . 25410 1 190 207 ALA . 25410 1 191 208 ARG . 25410 1 192 209 GLY . 25410 1 193 210 LEU . 25410 1 194 211 ARG . 25410 1 195 212 LEU . 25410 1 196 213 GLU . 25410 1 197 214 LEU . 25410 1 198 215 THR . 25410 1 199 216 THR . 25410 1 200 217 TYR . 25410 1 201 218 LEU . 25410 1 202 219 PHE . 25410 1 203 220 GLY . 25410 1 204 221 GLN . 25410 1 205 222 ASP . 25410 1 206 223 PRO . 25410 1 207 224 GLY . 25410 1 208 225 PRO . 25410 1 209 226 GLY . 25410 1 210 227 GLU . 25410 1 211 228 ALA . 25410 1 212 229 THR . 25410 1 213 230 ALA . 25410 1 214 231 VAL . 25410 1 215 232 GLU . 25410 1 216 233 TRP . 25410 1 217 234 GLY . 25410 1 218 235 PRO . 25410 1 219 236 ASN . 25410 1 220 237 THR . 25410 1 221 238 TRP . 25410 1 222 239 MET . 25410 1 223 240 VAL . 25410 1 224 241 GLU . 25410 1 225 242 TYR . 25410 1 226 243 GLY . 25410 1 227 244 ARG . 25410 1 228 245 GLY . 25410 1 229 246 VAL . 25410 1 230 247 ILE . 25410 1 231 248 PRO . 25410 1 232 249 SER . 25410 1 233 250 THR . 25410 1 234 251 LEU . 25410 1 235 252 ALA . 25410 1 236 253 PHE . 25410 1 237 254 ALA . 25410 1 238 255 LEU . 25410 1 239 256 ALA . 25410 1 240 257 ASP . 25410 1 241 258 THR . 25410 1 242 259 VAL . 25410 1 243 260 PHE . 25410 1 244 261 SER . 25410 1 245 262 THR . 25410 1 246 263 GLN . 25410 1 247 264 ASP . 25410 1 248 265 PHE . 25410 1 249 266 LEU . 25410 1 250 267 THR . 25410 1 251 268 LEU . 25410 1 252 269 PHE . 25410 1 253 270 TYR . 25410 1 254 271 THR . 25410 1 255 272 LEU . 25410 1 256 273 ARG . 25410 1 257 274 SER . 25410 1 258 275 TYR . 25410 1 259 276 ALA . 25410 1 260 277 ARG . 25410 1 261 278 GLY . 25410 1 262 279 LEU . 25410 1 263 280 ARG . 25410 1 264 281 LEU . 25410 1 265 282 GLU . 25410 1 266 283 LEU . 25410 1 267 284 THR . 25410 1 268 285 THR . 25410 1 269 286 TYR . 25410 1 270 287 LEU . 25410 1 271 288 PHE . 25410 1 272 289 GLY . 25410 1 273 290 GLN . 25410 1 274 291 ASP . 25410 1 275 292 PRO . 25410 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25410 1 . ASN 2 2 25410 1 . HIS 3 3 25410 1 . LYS 4 4 25410 1 . VAL 5 5 25410 1 . HIS 6 6 25410 1 . HIS 7 7 25410 1 . HIS 8 8 25410 1 . HIS 9 9 25410 1 . HIS 10 10 25410 1 . HIS 11 11 25410 1 . ILE 12 12 25410 1 . GLU 13 13 25410 1 . GLY 14 14 25410 1 . ARG 15 15 25410 1 . HIS 16 16 25410 1 . MET 17 17 25410 1 . PHE 18 18 25410 1 . VAL 19 19 25410 1 . PHE 20 20 25410 1 . GLN 21 21 25410 1 . ARG 22 22 25410 1 . GLU 23 23 25410 1 . GLU 24 24 25410 1 . ILE 25 25 25410 1 . ALA 26 26 25410 1 . GLN 27 27 25410 1 . LEU 28 28 25410 1 . ALA 29 29 25410 1 . ARG 30 30 25410 1 . GLN 31 31 25410 1 . TYR 32 32 25410 1 . ALA 33 33 25410 1 . GLY 34 34 25410 1 . LEU 35 35 25410 1 . ASP 36 36 25410 1 . HIS 37 37 25410 1 . GLU 38 38 25410 1 . LEU 39 39 25410 1 . ALA 40 40 25410 1 . PHE 41 41 25410 1 . SER 42 42 25410 1 . ARG 43 43 25410 1 . LEU 44 44 25410 1 . ILE 45 45 25410 1 . VAL 46 46 25410 1 . GLU 47 47 25410 1 . LEU 48 48 25410 1 . ARG 49 49 25410 1 . ARG 50 50 25410 1 . LEU 51 51 25410 1 . HIS 52 52 25410 1 . PRO 53 53 25410 1 . GLY 54 54 25410 1 . HIS 55 55 25410 1 . VAL 56 56 25410 1 . LEU 57 57 25410 1 . PRO 58 58 25410 1 . ASP 59 59 25410 1 . GLU 60 60 25410 1 . GLU 61 61 25410 1 . LEU 62 62 25410 1 . GLN 63 63 25410 1 . TRP 64 64 25410 1 . VAL 65 65 25410 1 . PHE 66 66 25410 1 . VAL 67 67 25410 1 . ASN 68 68 25410 1 . ALA 69 69 25410 1 . GLY 70 70 25410 1 . GLY 71 71 25410 1 . TRP 72 72 25410 1 . MET 73 73 25410 1 . GLY 74 74 25410 1 . ALA 75 75 25410 1 . MET 76 76 25410 1 . ALA 77 77 25410 1 . LEU 78 78 25410 1 . LEU 79 79 25410 1 . HIS 80 80 25410 1 . ALA 81 81 25410 1 . SER 82 82 25410 1 . LEU 83 83 25410 1 . SER 84 84 25410 1 . GLU 85 85 25410 1 . TYR 86 86 25410 1 . VAL 87 87 25410 1 . LEU 88 88 25410 1 . LEU 89 89 25410 1 . PHE 90 90 25410 1 . GLY 91 91 25410 1 . THR 92 92 25410 1 . ALA 93 93 25410 1 . LEU 94 94 25410 1 . GLY 95 95 25410 1 . SER 96 96 25410 1 . ARG 97 97 25410 1 . GLY 98 98 25410 1 . HIS 99 99 25410 1 . SER 100 100 25410 1 . GLY 101 101 25410 1 . ARG 102 102 25410 1 . TYR 103 103 25410 1 . TRP 104 104 25410 1 . ALA 105 105 25410 1 . GLU 106 106 25410 1 . ILE 107 107 25410 1 . SER 108 108 25410 1 . ASP 109 109 25410 1 . THR 110 110 25410 1 . ILE 111 111 25410 1 . ILE 112 112 25410 1 . SER 113 113 25410 1 . GLY 114 114 25410 1 . THR 115 115 25410 1 . PHE 116 116 25410 1 . HIS 117 117 25410 1 . GLN 118 118 25410 1 . TRP 119 119 25410 1 . ARG 120 120 25410 1 . GLU 121 121 25410 1 . GLY 122 122 25410 1 . THR 123 123 25410 1 . THR 124 124 25410 1 . LYS 125 125 25410 1 . SER 126 126 25410 1 . GLU 127 127 25410 1 . VAL 128 128 25410 1 . PHE 129 129 25410 1 . TYR 130 130 25410 1 . PRO 131 131 25410 1 . GLY 132 132 25410 1 . GLU 133 133 25410 1 . THR 134 134 25410 1 . VAL 135 135 25410 1 . VAL 136 136 25410 1 . HIS 137 137 25410 1 . GLY 138 138 25410 1 . PRO 139 139 25410 1 . GLY 140 140 25410 1 . GLU 141 141 25410 1 . ALA 142 142 25410 1 . THR 143 143 25410 1 . ALA 144 144 25410 1 . VAL 145 145 25410 1 . GLU 146 146 25410 1 . TRP 147 147 25410 1 . GLY 148 148 25410 1 . PRO 149 149 25410 1 . ASN 150 150 25410 1 . THR 151 151 25410 1 . TRP 152 152 25410 1 . MET 153 153 25410 1 . VAL 154 154 25410 1 . GLU 155 155 25410 1 . TYR 156 156 25410 1 . GLY 157 157 25410 1 . ARG 158 158 25410 1 . GLY 159 159 25410 1 . VAL 160 160 25410 1 . ILE 161 161 25410 1 . PRO 162 162 25410 1 . SER 163 163 25410 1 . THR 164 164 25410 1 . LEU 165 165 25410 1 . ALA 166 166 25410 1 . PHE 167 167 25410 1 . ALA 168 168 25410 1 . LEU 169 169 25410 1 . ALA 170 170 25410 1 . ASP 171 171 25410 1 . THR 172 172 25410 1 . VAL 173 173 25410 1 . PHE 174 174 25410 1 . SER 175 175 25410 1 . THR 176 176 25410 1 . GLN 177 177 25410 1 . ASP 178 178 25410 1 . PHE 179 179 25410 1 . LEU 180 180 25410 1 . THR 181 181 25410 1 . LEU 182 182 25410 1 . PHE 183 183 25410 1 . TYR 184 184 25410 1 . THR 185 185 25410 1 . LEU 186 186 25410 1 . ARG 187 187 25410 1 . SER 188 188 25410 1 . TYR 189 189 25410 1 . ALA 190 190 25410 1 . ARG 191 191 25410 1 . GLY 192 192 25410 1 . LEU 193 193 25410 1 . ARG 194 194 25410 1 . LEU 195 195 25410 1 . GLU 196 196 25410 1 . LEU 197 197 25410 1 . THR 198 198 25410 1 . THR 199 199 25410 1 . TYR 200 200 25410 1 . LEU 201 201 25410 1 . PHE 202 202 25410 1 . GLY 203 203 25410 1 . GLN 204 204 25410 1 . ASP 205 205 25410 1 . PRO 206 206 25410 1 . GLY 207 207 25410 1 . PRO 208 208 25410 1 . GLY 209 209 25410 1 . GLU 210 210 25410 1 . ALA 211 211 25410 1 . THR 212 212 25410 1 . ALA 213 213 25410 1 . VAL 214 214 25410 1 . GLU 215 215 25410 1 . TRP 216 216 25410 1 . GLY 217 217 25410 1 . PRO 218 218 25410 1 . ASN 219 219 25410 1 . THR 220 220 25410 1 . TRP 221 221 25410 1 . MET 222 222 25410 1 . VAL 223 223 25410 1 . GLU 224 224 25410 1 . TYR 225 225 25410 1 . GLY 226 226 25410 1 . ARG 227 227 25410 1 . GLY 228 228 25410 1 . VAL 229 229 25410 1 . ILE 230 230 25410 1 . PRO 231 231 25410 1 . SER 232 232 25410 1 . THR 233 233 25410 1 . LEU 234 234 25410 1 . ALA 235 235 25410 1 . PHE 236 236 25410 1 . ALA 237 237 25410 1 . LEU 238 238 25410 1 . ALA 239 239 25410 1 . ASP 240 240 25410 1 . THR 241 241 25410 1 . VAL 242 242 25410 1 . PHE 243 243 25410 1 . SER 244 244 25410 1 . THR 245 245 25410 1 . GLN 246 246 25410 1 . ASP 247 247 25410 1 . PHE 248 248 25410 1 . LEU 249 249 25410 1 . THR 250 250 25410 1 . LEU 251 251 25410 1 . PHE 252 252 25410 1 . TYR 253 253 25410 1 . THR 254 254 25410 1 . LEU 255 255 25410 1 . ARG 256 256 25410 1 . SER 257 257 25410 1 . TYR 258 258 25410 1 . ALA 259 259 25410 1 . ARG 260 260 25410 1 . GLY 261 261 25410 1 . LEU 262 262 25410 1 . ARG 263 263 25410 1 . LEU 264 264 25410 1 . GLU 265 265 25410 1 . LEU 266 266 25410 1 . THR 267 267 25410 1 . THR 268 268 25410 1 . TYR 269 269 25410 1 . LEU 270 270 25410 1 . PHE 271 271 25410 1 . GLY 272 272 25410 1 . GLN 273 273 25410 1 . ASP 274 274 25410 1 . PRO 275 275 25410 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 25410 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Sigma-1_Receptor_delta35 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25410 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 25410 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Sigma-1_Receptor_delta35 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pCold-I . . . 25410 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_S1chtriple _Sample.Sf_category sample _Sample.Sf_framecode S1chtriple _Sample.Entry_ID 25410 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sigma-1 Receptor delta35' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $Sigma-1_Receptor_delta35 . . 0.27 . . mM . . . . 25410 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25410 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25410 1 stop_ save_ save_S1chdoble _Sample.Sf_category sample _Sample.Sf_framecode S1chdoble _Sample.Entry_ID 25410 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Sigma-1 Receptor delta35' '[U-100% 13C; U-100% 15N]' . . 1 $Sigma-1_Receptor_delta35 . . 0.27 . . mM . . . . 25410 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25410 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25410 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25410 _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' 0 . M 25410 1 pH 6.5 . pH 25410 1 pressure 1 . atm 25410 1 temperature 273 . K 25410 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25410 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25410 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25410 1 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 25410 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25410 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 25410 _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 DRX . 600 . . . 25410 1 2 spectrometer_2 Bruker DRX . 500 . . . 25410 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 25410 _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 $S1chtriple isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25410 1 2 '3D HNCA' no . . . . . . . . . . 1 $S1chtriple isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25410 1 3 '3D HNCACB' no . . . . . . . . . . 1 $S1chtriple isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25410 1 4 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $S1chdoble isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25410 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $S1chdoble isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25410 1 6 '3D HNCO' no . . . . . . . . . . 1 $S1chtriple isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25410 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $S1chtriple isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 25410 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25410 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0 . . . . . 25410 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 25410 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0 . . . . . 25410 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 25410 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '3D HNCA' . . . 25410 1 3 '3D HNCACB' . . . 25410 1 4 '3D 1H-15N TOCSY' . . . 25410 1 5 '3D 1H-15N NOESY' . . . 25410 1 6 '3D HNCO' . . . 25410 1 7 '3D CBCA(CO)NH' . . . 25410 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 22 22 ARG H H 1 8.593 0.0 . 1 . . . . 39 ARG H . 25410 1 2 . 1 1 22 22 ARG N N 15 123.902 0.0 . 1 . . . . 39 ARG N . 25410 1 3 . 1 1 23 23 GLU H H 1 8.977 0.0 . 1 . . . . 40 GLU H . 25410 1 4 . 1 1 23 23 GLU N N 15 120.479 0.0 . 1 . . . . 40 GLU N . 25410 1 5 . 1 1 24 24 GLU H H 1 7.736 0.0 . 1 . . . . 41 GLU H . 25410 1 6 . 1 1 24 24 GLU C C 13 176.494 0.0 . 1 . . . . 41 GLU C . 25410 1 7 . 1 1 24 24 GLU CA C 13 56.002 0.0 . 1 . . . . 41 GLU CA . 25410 1 8 . 1 1 24 24 GLU CB C 13 26.188 0.0 . 1 . . . . 41 GLU CB . 25410 1 9 . 1 1 24 24 GLU N N 15 119.823 0.0 . 1 . . . . 41 GLU N . 25410 1 10 . 1 1 25 25 ILE H H 1 7.562 0.0 . 1 . . . . 42 ILE H . 25410 1 11 . 1 1 25 25 ILE C C 13 174.624 0.0 . 1 . . . . 42 ILE C . 25410 1 12 . 1 1 25 25 ILE CA C 13 61.282 0.0 . 1 . . . . 42 ILE CA . 25410 1 13 . 1 1 25 25 ILE CB C 13 33.7 0.0 . 1 . . . . 42 ILE CB . 25410 1 14 . 1 1 25 25 ILE N N 15 119.915 0.0 . 1 . . . . 42 ILE N . 25410 1 15 . 1 1 26 26 ALA H H 1 8.024 0.0 . 1 . . . . 43 ALA H . 25410 1 16 . 1 1 26 26 ALA C C 13 177.204 0.0 . 1 . . . . 43 ALA C . 25410 1 17 . 1 1 26 26 ALA CA C 13 52.476 0.0 . 1 . . . . 43 ALA CA . 25410 1 18 . 1 1 26 26 ALA CB C 13 14.967 0.0 . 1 . . . . 43 ALA CB . 25410 1 19 . 1 1 26 26 ALA N N 15 122.756 0.0 . 1 . . . . 43 ALA N . 25410 1 20 . 1 1 27 27 GLN H H 1 7.665 0.0 . 1 . . . . 44 GLN H . 25410 1 21 . 1 1 27 27 GLN C C 13 176.145 0.0 . 1 . . . . 44 GLN C . 25410 1 22 . 1 1 27 27 GLN CA C 13 40.473 0.0 . 1 . . . . 44 GLN CA . 25410 1 23 . 1 1 27 27 GLN CB C 13 24.94 0.0 . 1 . . . . 44 GLN CB . 25410 1 24 . 1 1 27 27 GLN N N 15 117.149 0.0 . 1 . . . . 44 GLN N . 25410 1 25 . 1 1 28 28 LEU H H 1 7.663 0.0 . 1 . . . . 45 LEU H . 25410 1 26 . 1 1 28 28 LEU C C 13 176.236 0.0 . 1 . . . . 45 LEU C . 25410 1 27 . 1 1 28 28 LEU CA C 13 55.072 0.0 . 1 . . . . 45 LEU CA . 25410 1 28 . 1 1 28 28 LEU CB C 13 38.37 0.0 . 1 . . . . 45 LEU CB . 25410 1 29 . 1 1 28 28 LEU N N 15 121.641 0.0 . 1 . . . . 45 LEU N . 25410 1 30 . 1 1 29 29 ALA H H 1 8.186 0.0 . 1 . . . . 46 ALA H . 25410 1 31 . 1 1 29 29 ALA C C 13 176.71 0.0 . 1 . . . . 46 ALA C . 25410 1 32 . 1 1 29 29 ALA CA C 13 52.38 0.0 . 1 . . . . 46 ALA CA . 25410 1 33 . 1 1 29 29 ALA CB C 13 14.834 0.0 . 1 . . . . 46 ALA CB . 25410 1 34 . 1 1 29 29 ALA N N 15 120.927 0.0 . 1 . . . . 46 ALA N . 25410 1 35 . 1 1 30 30 ARG H H 1 7.751 0.0 . 1 . . . . 47 ARG H . 25410 1 36 . 1 1 30 30 ARG C C 13 176.123 0.0 . 1 . . . . 47 ARG C . 25410 1 37 . 1 1 30 30 ARG CA C 13 56.374 0.0 . 1 . . . . 47 ARG CA . 25410 1 38 . 1 1 30 30 ARG CB C 13 26.697 0.0 . 1 . . . . 47 ARG CB . 25410 1 39 . 1 1 30 30 ARG N N 15 117.045 0.0 . 1 . . . . 47 ARG N . 25410 1 40 . 1 1 31 31 GLN H H 1 7.796 0.0 . 1 . . . . 48 GLN H . 25410 1 41 . 1 1 31 31 GLN C C 13 175.215 0.0 . 1 . . . . 48 GLN C . 25410 1 42 . 1 1 31 31 GLN CA C 13 55.383 0.0 . 1 . . . . 48 GLN CA . 25410 1 43 . 1 1 31 31 GLN CB C 13 25.478 0.0 . 1 . . . . 48 GLN CB . 25410 1 44 . 1 1 31 31 GLN N N 15 118.78 0.0 . 1 . . . . 48 GLN N . 25410 1 45 . 1 1 32 32 TYR H H 1 7.893 0.0 . 1 . . . . 49 TYR H . 25410 1 46 . 1 1 32 32 TYR CA C 13 57.142 0.0 . 1 . . . . 49 TYR CA . 25410 1 47 . 1 1 32 32 TYR CB C 13 35.617 0.0 . 1 . . . . 49 TYR CB . 25410 1 48 . 1 1 32 32 TYR N N 15 118.067 0.0 . 1 . . . . 49 TYR N . 25410 1 49 . 1 1 33 33 ALA H H 1 7.638 0.0 . 1 . . . . 50 ALA H . 25410 1 50 . 1 1 33 33 ALA C C 13 174.954 0.0 . 1 . . . . 50 ALA C . 25410 1 51 . 1 1 33 33 ALA CA C 13 50.54 0.0 . 1 . . . . 50 ALA CA . 25410 1 52 . 1 1 33 33 ALA CB C 13 16.126 0.0 . 1 . . . . 50 ALA CB . 25410 1 53 . 1 1 33 33 ALA N N 15 120.566 0.0 . 1 . . . . 50 ALA N . 25410 1 54 . 1 1 34 34 GLY H H 1 7.734 0.0 . 1 . . . . 51 GLY H . 25410 1 55 . 1 1 34 34 GLY C C 13 171.829 0.0 . 1 . . . . 51 GLY C . 25410 1 56 . 1 1 34 34 GLY CA C 13 42.537 0.0 . 1 . . . . 51 GLY CA . 25410 1 57 . 1 1 34 34 GLY N N 15 106.099 0.0 . 1 . . . . 51 GLY N . 25410 1 58 . 1 1 35 35 LEU H H 1 7.468 0.0 . 1 . . . . 52 LEU H . 25410 1 59 . 1 1 35 35 LEU CA C 13 52.358 0.0 . 1 . . . . 52 LEU CA . 25410 1 60 . 1 1 35 35 LEU CB C 13 39.406 0.0 . 1 . . . . 52 LEU CB . 25410 1 61 . 1 1 35 35 LEU N N 15 121.229 0.0 . 1 . . . . 52 LEU N . 25410 1 62 . 1 1 36 36 ASP H H 1 8.07 0.0 . 1 . . . . 53 ASP H . 25410 1 63 . 1 1 36 36 ASP CA C 13 51.064 0.0 . 1 . . . . 53 ASP CA . 25410 1 64 . 1 1 36 36 ASP CB C 13 38.065 0.0 . 1 . . . . 53 ASP CB . 25410 1 65 . 1 1 36 36 ASP N N 15 121.144 0.0 . 1 . . . . 53 ASP N . 25410 1 66 . 1 1 38 38 GLU H H 1 7.875 0.0 . 1 . . . . 55 GLU H . 25410 1 67 . 1 1 38 38 GLU C C 13 175.656 0.0 . 1 . . . . 55 GLU C . 25410 1 68 . 1 1 38 38 GLU CA C 13 56.015 0.0 . 1 . . . . 55 GLU CA . 25410 1 69 . 1 1 38 38 GLU CB C 13 26.11 0.0 . 1 . . . . 55 GLU CB . 25410 1 70 . 1 1 38 38 GLU N N 15 120.301 0.0 . 1 . . . . 55 GLU N . 25410 1 71 . 1 1 39 39 LEU H H 1 7.968 0.0 . 1 . . . . 56 LEU H . 25410 1 72 . 1 1 39 39 LEU C C 13 175.62 0.0 . 1 . . . . 56 LEU C . 25410 1 73 . 1 1 39 39 LEU CA C 13 53.653 0.0 . 1 . . . . 56 LEU CA . 25410 1 74 . 1 1 39 39 LEU CB C 13 38.412 0.0 . 1 . . . . 56 LEU CB . 25410 1 75 . 1 1 39 39 LEU N N 15 122.741 0.0 . 1 . . . . 56 LEU N . 25410 1 76 . 1 1 40 40 ALA H H 1 7.879 0.0 . 1 . . . . 57 ALA H . 25410 1 77 . 1 1 40 40 ALA C C 13 176.117 0.0 . 1 . . . . 57 ALA C . 25410 1 78 . 1 1 40 40 ALA CA C 13 51.311 0.0 . 1 . . . . 57 ALA CA . 25410 1 79 . 1 1 40 40 ALA CB C 13 15.551 0.0 . 1 . . . . 57 ALA CB . 25410 1 80 . 1 1 40 40 ALA N N 15 122.967 0.0 . 1 . . . . 57 ALA N . 25410 1 81 . 1 1 41 41 PHE H H 1 8.365 0.0 . 1 . . . . 58 PHE H . 25410 1 82 . 1 1 41 41 PHE C C 13 174.624 0.0 . 1 . . . . 58 PHE C . 25410 1 83 . 1 1 41 41 PHE CA C 13 58.18 0.0 . 1 . . . . 58 PHE CA . 25410 1 84 . 1 1 41 41 PHE CB C 13 36.03 0.0 . 1 . . . . 58 PHE CB . 25410 1 85 . 1 1 41 41 PHE N N 15 119.124 0.0 . 1 . . . . 58 PHE N . 25410 1 86 . 1 1 42 42 SER H H 1 8.187 0.0 . 1 . . . . 59 SER H . 25410 1 87 . 1 1 42 42 SER C C 13 173.262 0.0 . 1 . . . . 59 SER C . 25410 1 88 . 1 1 42 42 SER CA C 13 59.009 0.0 . 1 . . . . 59 SER CA . 25410 1 89 . 1 1 42 42 SER N N 15 114.515 0.0 . 1 . . . . 59 SER N . 25410 1 90 . 1 1 43 43 ARG C C 13 175.682 0.0 . 1 . . . . 60 ARG C . 25410 1 91 . 1 1 44 44 LEU H H 1 7.782 0.0 . 1 . . . . 61 LEU H . 25410 1 92 . 1 1 44 44 LEU C C 13 175.524 0.0 . 1 . . . . 61 LEU C . 25410 1 93 . 1 1 44 44 LEU CA C 13 55.42 0.0 . 1 . . . . 61 LEU CA . 25410 1 94 . 1 1 44 44 LEU CB C 13 38.011 0.0 . 1 . . . . 61 LEU CB . 25410 1 95 . 1 1 44 44 LEU N N 15 120.863 0.0 . 1 . . . . 61 LEU N . 25410 1 96 . 1 1 45 45 ILE H H 1 7.635 0.0 . 1 . . . . 62 ILE H . 25410 1 97 . 1 1 45 45 ILE C C 13 174.981 0.0 . 1 . . . . 62 ILE C . 25410 1 98 . 1 1 45 45 ILE CA C 13 61.268 0.0 . 1 . . . . 62 ILE CA . 25410 1 99 . 1 1 45 45 ILE CB C 13 33.149 0.0 . 1 . . . . 62 ILE CB . 25410 1 100 . 1 1 45 45 ILE N N 15 117.826 0.0 . 1 . . . . 62 ILE N . 25410 1 101 . 1 1 46 46 VAL H H 1 7.302 0.0 . 1 . . . . 63 VAL H . 25410 1 102 . 1 1 46 46 VAL C C 13 176.224 0.0 . 1 . . . . 63 VAL C . 25410 1 103 . 1 1 46 46 VAL CA C 13 63.603 0.0 . 1 . . . . 63 VAL CA . 25410 1 104 . 1 1 46 46 VAL CB C 13 28.437 0.0 . 1 . . . . 63 VAL CB . 25410 1 105 . 1 1 46 46 VAL N N 15 119.918 0.0 . 1 . . . . 63 VAL N . 25410 1 106 . 1 1 47 47 GLU H H 1 7.622 0.0 . 1 . . . . 64 GLU H . 25410 1 107 . 1 1 47 47 GLU C C 13 176.807 0.0 . 1 . . . . 64 GLU C . 25410 1 108 . 1 1 47 47 GLU CA C 13 55.355 0.0 . 1 . . . . 64 GLU CA . 25410 1 109 . 1 1 47 47 GLU CB C 13 25.512 0.0 . 1 . . . . 64 GLU CB . 25410 1 110 . 1 1 47 47 GLU N N 15 119.204 0.0 . 1 . . . . 64 GLU N . 25410 1 111 . 1 1 48 48 LEU H H 1 8.166 0.0 . 1 . . . . 65 LEU H . 25410 1 112 . 1 1 48 48 LEU C C 13 175.137 0.0 . 1 . . . . 65 LEU C . 25410 1 113 . 1 1 48 48 LEU CA C 13 54.843 0.0 . 1 . . . . 65 LEU CA . 25410 1 114 . 1 1 48 48 LEU CB C 13 37.336 0.0 . 1 . . . . 65 LEU CB . 25410 1 115 . 1 1 48 48 LEU N N 15 119.897 0.0 . 1 . . . . 65 LEU N . 25410 1 116 . 1 1 49 49 ARG H H 1 7.817 0.0 . 1 . . . . 66 ARG H . 25410 1 117 . 1 1 49 49 ARG C C 13 175.341 0.0 . 1 . . . . 66 ARG C . 25410 1 118 . 1 1 49 49 ARG CA C 13 55.799 0.0 . 1 . . . . 66 ARG CA . 25410 1 119 . 1 1 49 49 ARG CB C 13 26.635 0.0 . 1 . . . . 66 ARG CB . 25410 1 120 . 1 1 49 49 ARG N N 15 117.259 0.0 . 1 . . . . 66 ARG N . 25410 1 121 . 1 1 50 50 ARG H H 1 7.419 0.0 . 1 . . . . 67 ARG H . 25410 1 122 . 1 1 50 50 ARG C C 13 174.804 0.0 . 1 . . . . 67 ARG C . 25410 1 123 . 1 1 50 50 ARG CA C 13 54.871 0.0 . 1 . . . . 67 ARG CA . 25410 1 124 . 1 1 50 50 ARG CB C 13 27.184 0.0 . 1 . . . . 67 ARG CB . 25410 1 125 . 1 1 50 50 ARG N N 15 118.301 0.0 . 1 . . . . 67 ARG N . 25410 1 126 . 1 1 51 51 LEU H H 1 7.404 0.0 . 1 . . . . 68 LEU H . 25410 1 127 . 1 1 51 51 LEU C C 13 173.557 0.0 . 1 . . . . 68 LEU C . 25410 1 128 . 1 1 51 51 LEU CA C 13 52.69 0.0 . 1 . . . . 68 LEU CA . 25410 1 129 . 1 1 51 51 LEU CB C 13 39.286 0.0 . 1 . . . . 68 LEU CB . 25410 1 130 . 1 1 51 51 LEU N N 15 118.942 0.0 . 1 . . . . 68 LEU N . 25410 1 131 . 1 1 52 52 HIS H H 1 7.687 0.0 . 1 . . . . 69 HIS H . 25410 1 132 . 1 1 52 52 HIS CA C 13 51.549 0.0 . 1 . . . . 69 HIS CA . 25410 1 133 . 1 1 52 52 HIS CB C 13 27.317 0.0 . 1 . . . . 69 HIS CB . 25410 1 134 . 1 1 52 52 HIS N N 15 118.53 0.0 . 1 . . . . 69 HIS N . 25410 1 135 . 1 1 53 53 PRO C C 13 174.921 0.0 . 1 . . . . 70 PRO C . 25410 1 136 . 1 1 53 53 PRO CA C 13 61.307 0.0 . 1 . . . . 70 PRO CA . 25410 1 137 . 1 1 54 54 GLY H H 1 8.674 0.0 . 1 . . . . 71 GLY H . 25410 1 138 . 1 1 54 54 GLY C C 13 170.638 0.0 . 1 . . . . 71 GLY C . 25410 1 139 . 1 1 54 54 GLY CA C 13 42.321 0.0 . 1 . . . . 71 GLY CA . 25410 1 140 . 1 1 54 54 GLY N N 15 109.32 0.0 . 1 . . . . 71 GLY N . 25410 1 141 . 1 1 55 55 HIS H H 1 8.01 0.0 . 1 . . . . 72 HIS H . 25410 1 142 . 1 1 55 55 HIS CA C 13 39.916 0.0 . 1 . . . . 72 HIS CA . 25410 1 143 . 1 1 55 55 HIS N N 15 119.893 0.0 . 1 . . . . 72 HIS N . 25410 1 144 . 1 1 56 56 VAL H H 1 8.013 0.0 . 1 . . . . 73 VAL H . 25410 1 145 . 1 1 56 56 VAL N N 15 120.318 0.0 . 1 . . . . 73 VAL N . 25410 1 146 . 1 1 57 57 LEU H H 1 7.975 0.0 . 1 . . . . 74 LEU H . 25410 1 147 . 1 1 57 57 LEU N N 15 123.458 0.0 . 1 . . . . 74 LEU N . 25410 1 148 . 1 1 58 58 PRO C C 13 174.117 0.0 . 1 . . . . 75 PRO C . 25410 1 149 . 1 1 58 58 PRO CA C 13 60.024 0.0 . 1 . . . . 75 PRO CA . 25410 1 150 . 1 1 58 58 PRO CB C 13 28.339 0.0 . 1 . . . . 75 PRO CB . 25410 1 151 . 1 1 59 59 ASP H H 1 8.312 0.0 . 1 . . . . 76 ASP H . 25410 1 152 . 1 1 59 59 ASP C C 13 175.142 0.0 . 1 . . . . 76 ASP C . 25410 1 153 . 1 1 59 59 ASP CA C 13 53.67 0.0 . 1 . . . . 76 ASP CA . 25410 1 154 . 1 1 59 59 ASP CB C 13 37.856 0.0 . 1 . . . . 76 ASP CB . 25410 1 155 . 1 1 59 59 ASP N N 15 121.762 0.0 . 1 . . . . 76 ASP N . 25410 1 156 . 1 1 60 60 GLU H H 1 8.592 0.0 . 1 . . . . 77 GLU H . 25410 1 157 . 1 1 60 60 GLU CA C 13 56.024 0.0 . 1 . . . . 77 GLU CA . 25410 1 158 . 1 1 60 60 GLU N N 15 119.905 0.0 . 1 . . . . 77 GLU N . 25410 1 159 . 1 1 61 61 GLU H H 1 8.088 0.0 . 1 . . . . 78 GLU H . 25410 1 160 . 1 1 61 61 GLU C C 13 173.48 0.0 . 1 . . . . 78 GLU C . 25410 1 161 . 1 1 61 61 GLU CA C 13 55.799 0.0 . 1 . . . . 78 GLU CA . 25410 1 162 . 1 1 61 61 GLU CB C 13 25.273 0.0 . 1 . . . . 78 GLU CB . 25410 1 163 . 1 1 61 61 GLU N N 15 121.216 0.0 . 1 . . . . 78 GLU N . 25410 1 164 . 1 1 62 62 LEU H H 1 7.881 0.0 . 1 . . . . 79 LEU H . 25410 1 165 . 1 1 62 62 LEU C C 13 174.72 0.0 . 1 . . . . 79 LEU C . 25410 1 166 . 1 1 62 62 LEU CA C 13 54.194 0.0 . 1 . . . . 79 LEU CA . 25410 1 167 . 1 1 62 62 LEU CB C 13 43.104 0.0 . 1 . . . . 79 LEU CB . 25410 1 168 . 1 1 62 62 LEU N N 15 121.761 0.0 . 1 . . . . 79 LEU N . 25410 1 169 . 1 1 63 63 GLN H H 1 7.968 0.0 . 1 . . . . 80 GLN H . 25410 1 170 . 1 1 63 63 GLN C C 13 176.987 0.0 . 1 . . . . 80 GLN C . 25410 1 171 . 1 1 63 63 GLN CA C 13 54.563 0.0 . 1 . . . . 80 GLN CA . 25410 1 172 . 1 1 63 63 GLN CB C 13 28.947 0.0 . 1 . . . . 80 GLN CB . 25410 1 173 . 1 1 63 63 GLN N N 15 121.495 0.0 . 1 . . . . 80 GLN N . 25410 1 174 . 1 1 64 64 TRP H H 1 8.003 0.0 . 1 . . . . 81 TRP H . 25410 1 175 . 1 1 64 64 TRP C C 13 175.4 0.0 . 1 . . . . 81 TRP C . 25410 1 176 . 1 1 64 64 TRP CA C 13 56.024 0.0 . 1 . . . . 81 TRP CA . 25410 1 177 . 1 1 64 64 TRP CB C 13 24.984 0.0 . 1 . . . . 81 TRP CB . 25410 1 178 . 1 1 64 64 TRP N N 15 118.404 0.0 . 1 . . . . 81 TRP N . 25410 1 179 . 1 1 65 65 VAL H H 1 7.777 0.0 . 1 . . . . 82 VAL H . 25410 1 180 . 1 1 65 65 VAL C C 13 174.825 0.0 . 1 . . . . 82 VAL C . 25410 1 181 . 1 1 65 65 VAL CA C 13 62.987 0.0 . 1 . . . . 82 VAL CA . 25410 1 182 . 1 1 65 65 VAL N N 15 118.882 0.0 . 1 . . . . 82 VAL N . 25410 1 183 . 1 1 66 66 PHE H H 1 7.545 0.0 . 1 . . . . 83 PHE H . 25410 1 184 . 1 1 66 66 PHE CA C 13 57.785 0.0 . 1 . . . . 83 PHE CA . 25410 1 185 . 1 1 66 66 PHE N N 15 122.026 0.0 . 1 . . . . 83 PHE N . 25410 1 186 . 1 1 67 67 VAL H H 1 7.676 0.0 . 1 . . . . 84 VAL H . 25410 1 187 . 1 1 67 67 VAL C C 13 175.903 0.0 . 1 . . . . 84 VAL C . 25410 1 188 . 1 1 67 67 VAL CA C 13 62.969 0.0 . 1 . . . . 84 VAL CA . 25410 1 189 . 1 1 67 67 VAL N N 15 119.877 0.0 . 1 . . . . 84 VAL N . 25410 1 190 . 1 1 68 68 ASN H H 1 7.774 0.0 . 1 . . . . 85 ASN H . 25410 1 191 . 1 1 68 68 ASN C C 13 172.911 0.0 . 1 . . . . 85 ASN C . 25410 1 192 . 1 1 68 68 ASN CB C 13 36.058 0.0 . 1 . . . . 85 ASN CB . 25410 1 193 . 1 1 68 68 ASN N N 15 116.986 0.0 . 1 . . . . 85 ASN N . 25410 1 194 . 1 1 69 69 ALA H H 1 7.795 0.0 . 1 . . . . 86 ALA H . 25410 1 195 . 1 1 69 69 ALA C C 13 175.144 0.0 . 1 . . . . 86 ALA C . 25410 1 196 . 1 1 69 69 ALA CA C 13 50.759 0.0 . 1 . . . . 86 ALA CA . 25410 1 197 . 1 1 69 69 ALA CB C 13 15.604 0.0 . 1 . . . . 86 ALA CB . 25410 1 198 . 1 1 69 69 ALA N N 15 122.558 0.0 . 1 . . . . 86 ALA N . 25410 1 199 . 1 1 70 70 GLY H H 1 7.842 0.0 . 1 . . . . 87 GLY H . 25410 1 200 . 1 1 70 70 GLY C C 13 173.37 0.0 . 1 . . . . 87 GLY C . 25410 1 201 . 1 1 70 70 GLY CA C 13 43.168 0.0 . 1 . . . . 87 GLY CA . 25410 1 202 . 1 1 70 70 GLY N N 15 105.498 0.0 . 1 . . . . 87 GLY N . 25410 1 203 . 1 1 71 71 GLY H H 1 7.915 0.0 . 1 . . . . 88 GLY H . 25410 1 204 . 1 1 71 71 GLY C C 13 172.291 0.0 . 1 . . . . 88 GLY C . 25410 1 205 . 1 1 71 71 GLY CA C 13 42.514 0.0 . 1 . . . . 88 GLY CA . 25410 1 206 . 1 1 71 71 GLY N N 15 109.89 0.0 . 1 . . . . 88 GLY N . 25410 1 207 . 1 1 72 72 TRP H H 1 8.095 0.0 . 1 . . . . 89 TRP H . 25410 1 208 . 1 1 72 72 TRP C C 13 175.393 0.0 . 1 . . . . 89 TRP C . 25410 1 209 . 1 1 72 72 TRP CA C 13 56.809 0.0 . 1 . . . . 89 TRP CA . 25410 1 210 . 1 1 72 72 TRP CB C 13 26.653 0.0 . 1 . . . . 89 TRP CB . 25410 1 211 . 1 1 72 72 TRP N N 15 122.689 0.0 . 1 . . . . 89 TRP N . 25410 1 212 . 1 1 73 73 MET H H 1 8.178 0.0 . 1 . . . . 90 MET H . 25410 1 213 . 1 1 73 73 MET C C 13 176.511 0.0 . 1 . . . . 90 MET C . 25410 1 214 . 1 1 73 73 MET CA C 13 55.416 0.0 . 1 . . . . 90 MET CA . 25410 1 215 . 1 1 73 73 MET N N 15 118.777 0.0 . 1 . . . . 90 MET N . 25410 1 216 . 1 1 74 74 GLY H H 1 7.789 0.0 . 1 . . . . 91 GLY H . 25410 1 217 . 1 1 74 74 GLY C C 13 173.764 0.0 . 1 . . . . 91 GLY C . 25410 1 218 . 1 1 74 74 GLY CA C 13 43.692 0.0 . 1 . . . . 91 GLY CA . 25410 1 219 . 1 1 74 74 GLY N N 15 109.016 0.0 . 1 . . . . 91 GLY N . 25410 1 220 . 1 1 75 75 ALA H H 1 7.857 0.0 . 1 . . . . 92 ALA H . 25410 1 221 . 1 1 75 75 ALA C C 13 176.708 0.0 . 1 . . . . 92 ALA C . 25410 1 222 . 1 1 75 75 ALA CA C 13 51.919 0.0 . 1 . . . . 92 ALA CA . 25410 1 223 . 1 1 75 75 ALA CB C 13 14.959 0.0 . 1 . . . . 92 ALA CB . 25410 1 224 . 1 1 75 75 ALA N N 15 124.826 0.0 . 1 . . . . 92 ALA N . 25410 1 225 . 1 1 76 76 MET H H 1 7.996 0.0 . 1 . . . . 93 MET H . 25410 1 226 . 1 1 76 76 MET C C 13 175.568 0.0 . 1 . . . . 93 MET C . 25410 1 227 . 1 1 76 76 MET CA C 13 55.406 0.0 . 1 . . . . 93 MET CA . 25410 1 228 . 1 1 76 76 MET CB C 13 25.564 0.0 . 1 . . . . 93 MET CB . 25410 1 229 . 1 1 76 76 MET N N 15 116.995 0.0 . 1 . . . . 93 MET N . 25410 1 230 . 1 1 77 77 ALA H H 1 7.88 0.0 . 1 . . . . 94 CYS H . 25410 1 231 . 1 1 77 77 ALA C C 13 177.89 0.0 . 1 . . . . 94 CYS C . 25410 1 232 . 1 1 77 77 ALA CA C 13 52.315 0.0 . 1 . . . . 94 CYS CA . 25410 1 233 . 1 1 77 77 ALA CB C 13 14.734 0.0 . 1 . . . . 94 CYS CB . 25410 1 234 . 1 1 77 77 ALA N N 15 122.324 0.0 . 1 . . . . 94 CYS N . 25410 1 235 . 1 1 78 78 LEU H H 1 7.626 0.0 . 1 . . . . 95 LEU H . 25410 1 236 . 1 1 78 78 LEU C C 13 176.028 0.0 . 1 . . . . 95 LEU C . 25410 1 237 . 1 1 78 78 LEU CA C 13 54.515 0.0 . 1 . . . . 95 LEU CA . 25410 1 238 . 1 1 78 78 LEU CB C 13 38.577 0.0 . 1 . . . . 95 LEU CB . 25410 1 239 . 1 1 78 78 LEU N N 15 120.315 0.0 . 1 . . . . 95 LEU N . 25410 1 240 . 1 1 79 79 LEU H H 1 8.016 0.0 . 1 . . . . 96 LEU H . 25410 1 241 . 1 1 79 79 LEU C C 13 175.79 0.0 . 1 . . . . 96 LEU C . 25410 1 242 . 1 1 79 79 LEU CA C 13 55.037 0.0 . 1 . . . . 96 LEU CA . 25410 1 243 . 1 1 79 79 LEU CB C 13 38.015 0.0 . 1 . . . . 96 LEU CB . 25410 1 244 . 1 1 79 79 LEU N N 15 114.893 0.0 . 1 . . . . 96 LEU N . 25410 1 245 . 1 1 80 80 HIS C C 13 174.594 0.0 . 1 . . . . 97 HIS C . 25410 1 246 . 1 1 80 80 HIS CA C 13 56.637 0.0 . 1 . . . . 97 HIS CA . 25410 1 247 . 1 1 80 80 HIS CB C 13 27.853 0.0 . 1 . . . . 97 HIS CB . 25410 1 248 . 1 1 80 80 HIS N N 15 119.008 0.0 . 1 . . . . 97 HIS N . 25410 1 249 . 1 1 81 81 ALA H H 1 7.941 0.0 . 1 . . . . 98 ALA H . 25410 1 250 . 1 1 81 81 ALA C C 13 177.386 0.0 . 1 . . . . 98 ALA C . 25410 1 251 . 1 1 81 81 ALA CA C 13 51.907 0.0 . 1 . . . . 98 ALA CA . 25410 1 252 . 1 1 81 81 ALA CB C 13 15.53 0.0 . 1 . . . . 98 ALA CB . 25410 1 253 . 1 1 81 81 ALA N N 15 122.261 0.0 . 1 . . . . 98 ALA N . 25410 1 254 . 1 1 82 82 SER H H 1 7.934 0.0 . 1 . . . . 99 SER H . 25410 1 255 . 1 1 82 82 SER C C 13 173.215 0.0 . 1 . . . . 99 SER C . 25410 1 256 . 1 1 82 82 SER CA C 13 58.369 0.0 . 1 . . . . 99 SER CA . 25410 1 257 . 1 1 82 82 SER CB C 13 60.372 0.0 . 1 . . . . 99 SER CB . 25410 1 258 . 1 1 82 82 SER N N 15 114.382 0.0 . 1 . . . . 99 SER N . 25410 1 259 . 1 1 83 83 LEU H H 1 8.122 0.0 . 1 . . . . 100 LEU H . 25410 1 260 . 1 1 83 83 LEU CA C 13 54.982 0.0 . 1 . . . . 100 LEU CA . 25410 1 261 . 1 1 83 83 LEU CB C 13 38.751 0.0 . 1 . . . . 100 LEU CB . 25410 1 262 . 1 1 83 83 LEU N N 15 121.291 0.0 . 1 . . . . 100 LEU N . 25410 1 263 . 1 1 85 85 GLU H H 1 8.096 0.0 . 1 . . . . 102 GLU H . 25410 1 264 . 1 1 85 85 GLU C C 13 175.135 0.0 . 1 . . . . 102 GLU C . 25410 1 265 . 1 1 85 85 GLU CA C 13 56.0 0.0 . 1 . . . . 102 GLU CA . 25410 1 266 . 1 1 85 85 GLU CB C 13 26.105 0.0 . 1 . . . . 102 GLU CB . 25410 1 267 . 1 1 85 85 GLU N N 15 121.584 0.0 . 1 . . . . 102 GLU N . 25410 1 268 . 1 1 86 86 TYR H H 1 7.616 0.0 . 1 . . . . 103 TYR H . 25410 1 269 . 1 1 86 86 TYR C C 13 175.115 0.0 . 1 . . . . 103 TYR C . 25410 1 270 . 1 1 86 86 TYR CA C 13 58.321 0.0 . 1 . . . . 103 TYR CA . 25410 1 271 . 1 1 86 86 TYR CB C 13 34.884 0.0 . 1 . . . . 103 TYR CB . 25410 1 272 . 1 1 86 86 TYR N N 15 118.68 0.0 . 1 . . . . 103 TYR N . 25410 1 273 . 1 1 87 87 VAL H H 1 7.942 0.0 . 1 . . . . 104 VAL H . 25410 1 274 . 1 1 87 87 VAL C C 13 175.39 0.0 . 1 . . . . 104 VAL C . 25410 1 275 . 1 1 87 87 VAL CA C 13 63.53 0.0 . 1 . . . . 104 VAL CA . 25410 1 276 . 1 1 87 87 VAL CB C 13 28.08 0.0 . 1 . . . . 104 VAL CB . 25410 1 277 . 1 1 87 87 VAL N N 15 119.466 0.0 . 1 . . . . 104 VAL N . 25410 1 278 . 1 1 88 88 LEU H H 1 7.603 0.0 . 1 . . . . 105 LEU H . 25410 1 279 . 1 1 88 88 LEU C C 13 177.073 0.0 . 1 . . . . 105 LEU C . 25410 1 280 . 1 1 88 88 LEU CA C 13 55.045 0.0 . 1 . . . . 105 LEU CA . 25410 1 281 . 1 1 88 88 LEU CB C 13 37.86 0.0 . 1 . . . . 105 LEU CB . 25410 1 282 . 1 1 88 88 LEU N N 15 120.704 0.0 . 1 . . . . 105 LEU N . 25410 1 283 . 1 1 89 89 LEU H H 1 7.669 0.0 . 1 . . . . 106 LEU H . 25410 1 284 . 1 1 89 89 LEU C C 13 176.493 0.0 . 1 . . . . 106 LEU C . 25410 1 285 . 1 1 89 89 LEU CB C 13 38.474 0.0 . 1 . . . . 106 LEU CB . 25410 1 286 . 1 1 89 89 LEU N N 15 121.297 0.0 . 1 . . . . 106 LEU N . 25410 1 287 . 1 1 90 90 PHE H H 1 8.095 0.0 . 1 . . . . 107 PHE H . 25410 1 288 . 1 1 90 90 PHE C C 13 174.694 0.0 . 1 . . . . 107 PHE C . 25410 1 289 . 1 1 90 90 PHE CA C 13 57.168 0.0 . 1 . . . . 107 PHE CA . 25410 1 290 . 1 1 90 90 PHE CB C 13 35.949 0.0 . 1 . . . . 107 PHE CB . 25410 1 291 . 1 1 90 90 PHE N N 15 119.07 0.0 . 1 . . . . 107 PHE N . 25410 1 292 . 1 1 91 91 GLY H H 1 8.272 0.0 . 1 . . . . 108 GLY H . 25410 1 293 . 1 1 91 91 GLY C C 13 173.214 0.0 . 1 . . . . 108 GLY C . 25410 1 294 . 1 1 91 91 GLY CA C 13 44.252 0.0 . 1 . . . . 108 GLY CA . 25410 1 295 . 1 1 91 91 GLY N N 15 107.006 0.0 . 1 . . . . 108 GLY N . 25410 1 296 . 1 1 92 92 THR H H 1 7.9 0.0 . 1 . . . . 109 THR H . 25410 1 297 . 1 1 92 92 THR C C 13 173.591 0.0 . 1 . . . . 109 THR C . 25410 1 298 . 1 1 92 92 THR CA C 13 61.939 0.0 . 1 . . . . 109 THR CA . 25410 1 299 . 1 1 92 92 THR CB C 13 65.948 0.0 . 1 . . . . 109 THR CB . 25410 1 300 . 1 1 92 92 THR N N 15 116.292 0.0 . 1 . . . . 109 THR N . 25410 1 301 . 1 1 93 93 ALA H H 1 7.853 0.0 . 1 . . . . 110 ALA H . 25410 1 302 . 1 1 93 93 ALA CA C 13 51.311 0.0 . 1 . . . . 110 ALA CA . 25410 1 303 . 1 1 93 93 ALA CB C 13 22.097 0.0 . 1 . . . . 110 ALA CB . 25410 1 304 . 1 1 93 93 ALA N N 15 125.653 0.0 . 1 . . . . 110 ALA N . 25410 1 305 . 1 1 94 94 LEU H H 1 7.73 0.0 . 1 . . . . 111 LEU H . 25410 1 306 . 1 1 94 94 LEU C C 13 175.622 0.0 . 1 . . . . 111 LEU C . 25410 1 307 . 1 1 94 94 LEU CA C 13 53.432 0.0 . 1 . . . . 111 LEU CA . 25410 1 308 . 1 1 94 94 LEU CB C 13 38.459 0.0 . 1 . . . . 111 LEU CB . 25410 1 309 . 1 1 94 94 LEU N N 15 118.02 0.0 . 1 . . . . 111 LEU N . 25410 1 310 . 1 1 95 95 GLY H H 1 7.794 0.0 . 1 . . . . 112 GLY H . 25410 1 311 . 1 1 95 95 GLY CA C 13 43.09 0.0 . 1 . . . . 112 GLY CA . 25410 1 312 . 1 1 95 95 GLY N N 15 107.146 0.0 . 1 . . . . 112 GLY N . 25410 1 313 . 1 1 96 96 SER H H 1 7.869 0.0 . 1 . . . . 113 SER H . 25410 1 314 . 1 1 96 96 SER C C 13 171.674 0.0 . 1 . . . . 113 SER C . 25410 1 315 . 1 1 96 96 SER N N 15 116.286 0.0 . 1 . . . . 113 SER N . 25410 1 316 . 1 1 97 97 ARG H H 1 7.886 0.0 . 1 . . . . 114 ARG H . 25410 1 317 . 1 1 97 97 ARG C C 13 172.729 0.0 . 1 . . . . 114 ARG C . 25410 1 318 . 1 1 97 97 ARG CA C 13 56.001 0.0 . 1 . . . . 114 ARG CA . 25410 1 319 . 1 1 97 97 ARG CB C 13 27.829 0.0 . 1 . . . . 114 ARG CB . 25410 1 320 . 1 1 97 97 ARG N N 15 122.322 0.0 . 1 . . . . 114 ARG N . 25410 1 321 . 1 1 98 98 GLY H H 1 8.409 0.0 . 1 . . . . 115 GLY H . 25410 1 322 . 1 1 98 98 GLY CA C 13 43.114 0.0 . 1 . . . . 115 GLY CA . 25410 1 323 . 1 1 98 98 GLY N N 15 111.53 0.0 . 1 . . . . 115 GLY N . 25410 1 324 . 1 1 99 99 HIS H H 1 7.54 0.0 . 1 . . . . 116 HIS H . 25410 1 325 . 1 1 99 99 HIS N N 15 126.611 0.0 . 1 . . . . 116 HIS N . 25410 1 326 . 1 1 101 101 GLY H H 1 8.205 0.0 . 1 . . . . 118 GLY H . 25410 1 327 . 1 1 101 101 GLY N N 15 110.762 0.0 . 1 . . . . 118 GLY N . 25410 1 328 . 1 1 102 102 ARG H H 1 7.993 0.0 . 1 . . . . 119 ARG H . 25410 1 329 . 1 1 102 102 ARG N N 15 121.3 0.0 . 1 . . . . 119 ARG N . 25410 1 330 . 1 1 105 105 ALA H H 1 7.864 0.0 . 1 . . . . 122 ALA H . 25410 1 331 . 1 1 105 105 ALA C C 13 176.649 0.0 . 1 . . . . 122 ALA C . 25410 1 332 . 1 1 105 105 ALA CA C 13 51.965 0.0 . 1 . . . . 122 ALA CA . 25410 1 333 . 1 1 105 105 ALA CB C 13 15.063 0.0 . 1 . . . . 122 ALA CB . 25410 1 334 . 1 1 105 105 ALA N N 15 123.254 0.0 . 1 . . . . 122 ALA N . 25410 1 335 . 1 1 106 106 GLU H H 1 7.785 0.0 . 1 . . . . 123 GLU H . 25410 1 336 . 1 1 106 106 GLU C C 13 176.687 0.0 . 1 . . . . 123 GLU C . 25410 1 337 . 1 1 106 106 GLU CA C 13 55.891 0.0 . 1 . . . . 123 GLU CA . 25410 1 338 . 1 1 106 106 GLU CB C 13 26.352 0.0 . 1 . . . . 123 GLU CB . 25410 1 339 . 1 1 106 106 GLU N N 15 118.148 0.0 . 1 . . . . 123 GLU N . 25410 1 340 . 1 1 107 107 ILE H H 1 7.829 0.0 . 1 . . . . 124 ILE H . 25410 1 341 . 1 1 107 107 ILE CA C 13 60.783 0.0 . 1 . . . . 124 ILE CA . 25410 1 342 . 1 1 107 107 ILE CB C 13 34.311 0.0 . 1 . . . . 124 ILE CB . 25410 1 343 . 1 1 107 107 ILE N N 15 120.452 0.0 . 1 . . . . 124 ILE N . 25410 1 344 . 1 1 108 108 SER H H 1 7.95 0.0 . 1 . . . . 125 SER H . 25410 1 345 . 1 1 108 108 SER CA C 13 58.884 0.0 . 1 . . . . 125 SER CA . 25410 1 346 . 1 1 108 108 SER N N 15 117.056 0.0 . 1 . . . . 125 SER N . 25410 1 347 . 1 1 109 109 ASP C C 13 175.846 0.0 . 1 . . . . 126 ASP C . 25410 1 348 . 1 1 109 109 ASP CA C 13 54.34 0.0 . 1 . . . . 126 ASP CA . 25410 1 349 . 1 1 109 109 ASP CB C 13 38.052 0.0 . 1 . . . . 126 ASP CB . 25410 1 350 . 1 1 110 110 THR H H 1 7.713 0.0 . 1 . . . . 127 THR H . 25410 1 351 . 1 1 110 110 THR C C 13 173.652 0.0 . 1 . . . . 127 THR C . 25410 1 352 . 1 1 110 110 THR CA C 13 63.043 0.0 . 1 . . . . 127 THR CA . 25410 1 353 . 1 1 110 110 THR CB C 13 65.95 0.0 . 1 . . . . 127 THR CB . 25410 1 354 . 1 1 110 110 THR N N 15 115.724 0.0 . 1 . . . . 127 THR N . 25410 1 355 . 1 1 111 111 ILE H H 1 7.779 0.0 . 1 . . . . 128 ILE H . 25410 1 356 . 1 1 111 111 ILE C C 13 174.781 0.0 . 1 . . . . 128 ILE C . 25410 1 357 . 1 1 111 111 ILE CA C 13 61.273 0.0 . 1 . . . . 128 ILE CA . 25410 1 358 . 1 1 111 111 ILE CB C 13 34.301 0.0 . 1 . . . . 128 ILE CB . 25410 1 359 . 1 1 111 111 ILE N N 15 121.559 0.0 . 1 . . . . 128 ILE N . 25410 1 360 . 1 1 112 112 ILE H H 1 8.061 0.0 . 1 . . . . 129 ILE H . 25410 1 361 . 1 1 112 112 ILE C C 13 174.792 0.0 . 1 . . . . 129 ILE C . 25410 1 362 . 1 1 112 112 ILE CA C 13 61.275 0.0 . 1 . . . . 129 ILE CA . 25410 1 363 . 1 1 112 112 ILE CB C 13 34.241 0.0 . 1 . . . . 129 ILE CB . 25410 1 364 . 1 1 112 112 ILE N N 15 120.049 0.0 . 1 . . . . 129 ILE N . 25410 1 365 . 1 1 113 113 SER H H 1 8.014 0.0 . 1 . . . . 130 SER H . 25410 1 366 . 1 1 113 113 SER C C 13 173.664 0.0 . 1 . . . . 130 SER C . 25410 1 367 . 1 1 113 113 SER CA C 13 57.864 0.0 . 1 . . . . 130 SER CA . 25410 1 368 . 1 1 113 113 SER CB C 13 60.663 0.0 . 1 . . . . 130 SER CB . 25410 1 369 . 1 1 113 113 SER N N 15 115.411 0.0 . 1 . . . . 130 SER N . 25410 1 370 . 1 1 114 114 GLY H H 1 7.854 0.0 . 1 . . . . 131 GLY H . 25410 1 371 . 1 1 114 114 GLY C C 13 172.268 0.0 . 1 . . . . 131 GLY C . 25410 1 372 . 1 1 114 114 GLY CA C 13 43.363 0.0 . 1 . . . . 131 GLY CA . 25410 1 373 . 1 1 114 114 GLY N N 15 109.78 0.0 . 1 . . . . 131 GLY N . 25410 1 374 . 1 1 115 115 THR H H 1 7.693 0.0 . 1 . . . . 132 THR H . 25410 1 375 . 1 1 115 115 THR C C 13 172.586 0.0 . 1 . . . . 132 THR C . 25410 1 376 . 1 1 115 115 THR CA C 13 61.677 0.0 . 1 . . . . 132 THR CA . 25410 1 377 . 1 1 115 115 THR CB C 13 65.968 0.0 . 1 . . . . 132 THR CB . 25410 1 378 . 1 1 115 115 THR N N 15 115.629 0.0 . 1 . . . . 132 THR N . 25410 1 379 . 1 1 116 116 PHE H H 1 7.976 0.0 . 1 . . . . 133 PHE H . 25410 1 380 . 1 1 116 116 PHE CA C 13 56.618 0.0 . 1 . . . . 133 PHE CA . 25410 1 381 . 1 1 116 116 PHE CB C 13 35.829 0.0 . 1 . . . . 133 PHE CB . 25410 1 382 . 1 1 116 116 PHE N N 15 121.058 0.0 . 1 . . . . 133 PHE N . 25410 1 383 . 1 1 117 117 HIS H H 1 7.94 0.0 . 1 . . . . 134 HIS H . 25410 1 384 . 1 1 117 117 HIS N N 15 119.104 0.0 . 1 . . . . 134 HIS N . 25410 1 385 . 1 1 118 118 GLN H H 1 7.842 0.0 . 1 . . . . 135 GLN H . 25410 1 386 . 1 1 118 118 GLN CA C 13 54.448 0.0 . 1 . . . . 135 GLN CA . 25410 1 387 . 1 1 118 118 GLN CB C 13 36.226 0.0 . 1 . . . . 135 GLN CB . 25410 1 388 . 1 1 118 118 GLN N N 15 119.538 0.0 . 1 . . . . 135 GLN N . 25410 1 389 . 1 1 119 119 TRP H H 1 7.875 0.0 . 1 . . . . 136 TRP H . 25410 1 390 . 1 1 119 119 TRP C C 13 174.059 0.0 . 1 . . . . 136 TRP C . 25410 1 391 . 1 1 119 119 TRP CA C 13 55.647 0.0 . 1 . . . . 136 TRP CA . 25410 1 392 . 1 1 119 119 TRP CB C 13 25.698 0.0 . 1 . . . . 136 TRP CB . 25410 1 393 . 1 1 119 119 TRP N N 15 121.769 0.0 . 1 . . . . 136 TRP N . 25410 1 394 . 1 1 120 120 ARG H H 1 7.767 0.0 . 1 . . . . 137 ARG H . 25410 1 395 . 1 1 120 120 ARG C C 13 174.748 0.0 . 1 . . . . 137 ARG C . 25410 1 396 . 1 1 120 120 ARG CA C 13 54.081 0.0 . 1 . . . . 137 ARG CA . 25410 1 397 . 1 1 120 120 ARG CB C 13 27.294 0.0 . 1 . . . . 137 ARG CB . 25410 1 398 . 1 1 120 120 ARG N N 15 120.155 0.0 . 1 . . . . 137 ARG N . 25410 1 399 . 1 1 121 121 GLU H H 1 7.785 0.0 . 1 . . . . 138 GLU H . 25410 1 400 . 1 1 121 121 GLU C C 13 174.689 0.0 . 1 . . . . 138 GLU C . 25410 1 401 . 1 1 121 121 GLU CA C 13 54.242 0.0 . 1 . . . . 138 GLU CA . 25410 1 402 . 1 1 121 121 GLU CB C 13 26.687 0.0 . 1 . . . . 138 GLU CB . 25410 1 403 . 1 1 121 121 GLU N N 15 120.532 0.0 . 1 . . . . 138 GLU N . 25410 1 404 . 1 1 122 122 GLY H H 1 8.012 0.0 . 1 . . . . 139 GLY H . 25410 1 405 . 1 1 122 122 GLY C C 13 171.823 0.0 . 1 . . . . 139 GLY C . 25410 1 406 . 1 1 122 122 GLY CA C 13 42.514 0.0 . 1 . . . . 139 GLY CA . 25410 1 407 . 1 1 122 122 GLY N N 15 109.756 0.0 . 1 . . . . 139 GLY N . 25410 1 408 . 1 1 123 123 THR H H 1 7.79 0.0 . 1 . . . . 140 THR H . 25410 1 409 . 1 1 123 123 THR CA C 13 59.082 0.0 . 1 . . . . 140 THR CA . 25410 1 410 . 1 1 123 123 THR CB C 13 66.877 0.0 . 1 . . . . 140 THR CB . 25410 1 411 . 1 1 123 123 THR N N 15 114.036 0.0 . 1 . . . . 140 THR N . 25410 1 412 . 1 1 124 124 THR H H 1 7.955 0.0 . 1 . . . . 141 THR H . 25410 1 413 . 1 1 124 124 THR CA C 13 58.884 0.0 . 1 . . . . 141 THR CA . 25410 1 414 . 1 1 124 124 THR N N 15 117.026 0.0 . 1 . . . . 141 THR N . 25410 1 415 . 1 1 125 125 LYS H H 1 8.096 0.0 . 1 . . . . 142 LYS H . 25410 1 416 . 1 1 125 125 LYS N N 15 124.592 0.0 . 1 . . . . 142 LYS N . 25410 1 417 . 1 1 126 126 SER H H 1 8.066 0.0 . 1 . . . . 143 SER H . 25410 1 418 . 1 1 126 126 SER C C 13 171.854 0.0 . 1 . . . . 143 SER C . 25410 1 419 . 1 1 126 126 SER CA C 13 55.92 0.0 . 1 . . . . 143 SER CA . 25410 1 420 . 1 1 126 126 SER CB C 13 60.749 0.0 . 1 . . . . 143 SER CB . 25410 1 421 . 1 1 126 126 SER N N 15 117.955 0.0 . 1 . . . . 143 SER N . 25410 1 422 . 1 1 127 127 GLU H H 1 8.214 0.0 . 1 . . . . 144 GLU H . 25410 1 423 . 1 1 127 127 GLU C C 13 173.467 0.0 . 1 . . . . 144 GLU C . 25410 1 424 . 1 1 127 127 GLU CA C 13 53.803 0.0 . 1 . . . . 144 GLU CA . 25410 1 425 . 1 1 127 127 GLU CB C 13 26.876 0.0 . 1 . . . . 144 GLU CB . 25410 1 426 . 1 1 127 127 GLU N N 15 123.867 0.0 . 1 . . . . 144 GLU N . 25410 1 427 . 1 1 128 128 VAL H H 1 7.742 0.0 . 1 . . . . 145 VAL H . 25410 1 428 . 1 1 128 128 VAL C C 13 172.558 0.0 . 1 . . . . 145 VAL C . 25410 1 429 . 1 1 128 128 VAL CA C 13 59.438 0.0 . 1 . . . . 145 VAL CA . 25410 1 430 . 1 1 128 128 VAL CB C 13 29.339 0.0 . 1 . . . . 145 VAL CB . 25410 1 431 . 1 1 128 128 VAL N N 15 120.888 0.0 . 1 . . . . 145 VAL N . 25410 1 432 . 1 1 129 129 PHE H H 1 7.859 0.0 . 1 . . . . 146 PHE H . 25410 1 433 . 1 1 129 129 PHE C C 13 171.929 0.0 . 1 . . . . 146 PHE C . 25410 1 434 . 1 1 129 129 PHE CA C 13 54.582 0.0 . 1 . . . . 146 PHE CA . 25410 1 435 . 1 1 129 129 PHE CB C 13 36.805 0.0 . 1 . . . . 146 PHE CB . 25410 1 436 . 1 1 129 129 PHE N N 15 123.615 0.0 . 1 . . . . 146 PHE N . 25410 1 437 . 1 1 130 130 TYR H H 1 7.912 0.0 . 1 . . . . 147 TYR H . 25410 1 438 . 1 1 130 130 TYR CA C 13 52.475 0.0 . 1 . . . . 147 TYR CA . 25410 1 439 . 1 1 130 130 TYR CB C 13 35.498 0.0 . 1 . . . . 147 TYR CB . 25410 1 440 . 1 1 130 130 TYR N N 15 123.936 0.0 . 1 . . . . 147 TYR N . 25410 1 441 . 1 1 131 131 PRO C C 13 175.237 0.0 . 1 . . . . 148 PRO C . 25410 1 442 . 1 1 132 132 GLY H H 1 8.279 0.0 . 1 . . . . 149 GLY H . 25410 1 443 . 1 1 132 132 GLY C C 13 171.629 0.0 . 1 . . . . 149 GLY C . 25410 1 444 . 1 1 132 132 GLY CA C 13 42.333 0.0 . 1 . . . . 149 GLY CA . 25410 1 445 . 1 1 132 132 GLY N N 15 110.17 0.0 . 1 . . . . 149 GLY N . 25410 1 446 . 1 1 133 133 GLU H H 1 7.861 0.0 . 1 . . . . 150 GLU H . 25410 1 447 . 1 1 133 133 GLU C C 13 174.118 0.0 . 1 . . . . 150 GLU C . 25410 1 448 . 1 1 133 133 GLU CA C 13 53.681 0.0 . 1 . . . . 150 GLU CA . 25410 1 449 . 1 1 133 133 GLU CB C 13 27.078 0.0 . 1 . . . . 150 GLU CB . 25410 1 450 . 1 1 133 133 GLU N N 15 121.364 0.0 . 1 . . . . 150 GLU N . 25410 1 451 . 1 1 134 134 THR H H 1 8.032 0.0 . 1 . . . . 151 THR H . 25410 1 452 . 1 1 134 134 THR C C 13 171.71 0.0 . 1 . . . . 151 THR C . 25410 1 453 . 1 1 134 134 THR CA C 13 59.504 0.0 . 1 . . . . 151 THR CA . 25410 1 454 . 1 1 134 134 THR CB C 13 47.998 0.0 . 1 . . . . 151 THR CB . 25410 1 455 . 1 1 134 134 THR N N 15 116.779 0.0 . 1 . . . . 151 THR N . 25410 1 456 . 1 1 135 135 VAL H H 1 7.864 0.0 . 1 . . . . 152 VAL H . 25410 1 457 . 1 1 135 135 VAL C C 13 173.048 0.0 . 1 . . . . 152 VAL C . 25410 1 458 . 1 1 135 135 VAL CA C 13 59.23 0.0 . 1 . . . . 152 VAL CA . 25410 1 459 . 1 1 135 135 VAL CB C 13 29.42 0.0 . 1 . . . . 152 VAL CB . 25410 1 460 . 1 1 135 135 VAL N N 15 124.066 0.0 . 1 . . . . 152 VAL N . 25410 1 461 . 1 1 136 136 VAL H H 1 7.895 0.0 . 1 . . . . 153 VAL H . 25410 1 462 . 1 1 136 136 VAL CA C 13 59.159 0.0 . 1 . . . . 153 VAL CA . 25410 1 463 . 1 1 136 136 VAL CB C 13 29.4 0.0 . 1 . . . . 153 VAL CB . 25410 1 464 . 1 1 136 136 VAL N N 15 124.783 0.0 . 1 . . . . 153 VAL N . 25410 1 465 . 1 1 137 137 HIS H H 1 8.178 0.0 . 1 . . . . 154 HIS H . 25410 1 466 . 1 1 137 137 HIS C C 13 172.457 0.0 . 1 . . . . 154 HIS C . 25410 1 467 . 1 1 137 137 HIS N N 15 123.934 0.0 . 1 . . . . 154 HIS N . 25410 1 468 . 1 1 138 138 GLY H H 1 8.141 0.0 . 1 . . . . 155 GLY H . 25410 1 469 . 1 1 138 138 GLY CA C 13 41.509 0.0 . 1 . . . . 155 GLY CA . 25410 1 470 . 1 1 138 138 GLY N N 15 111.305 0.0 . 1 . . . . 155 GLY N . 25410 1 471 . 1 1 139 139 PRO C C 13 174.621 0.0 . 1 . . . . 156 PRO C . 25410 1 472 . 1 1 139 139 PRO CA C 13 60.345 0.0 . 1 . . . . 156 PRO CA . 25410 1 473 . 1 1 139 139 PRO CB C 13 28.451 0.0 . 1 . . . . 156 PRO CB . 25410 1 474 . 1 1 140 140 GLY H H 1 7.751 0.0 . 1 . . . . 157 GLY H . 25410 1 475 . 1 1 140 140 GLY C C 13 171.398 0.0 . 1 . . . . 157 GLY C . 25410 1 476 . 1 1 140 140 GLY CA C 13 42.126 0.0 . 1 . . . . 157 GLY CA . 25410 1 477 . 1 1 140 140 GLY N N 15 109.293 0.0 . 1 . . . . 157 GLY N . 25410 1 478 . 1 1 141 141 GLU H H 1 7.995 0.0 . 1 . . . . 158 GLU H . 25410 1 479 . 1 1 141 141 GLU C C 13 173.78 0.0 . 1 . . . . 158 GLU C . 25410 1 480 . 1 1 141 141 GLU CA C 13 53.658 0.0 . 1 . . . . 158 GLU CA . 25410 1 481 . 1 1 141 141 GLU CB C 13 27.148 0.0 . 1 . . . . 158 GLU CB . 25410 1 482 . 1 1 141 141 GLU N N 15 121.31 0.0 . 1 . . . . 158 GLU N . 25410 1 483 . 1 1 142 142 ALA H H 1 8.113 0.0 . 1 . . . . 159 ALA H . 25410 1 484 . 1 1 142 142 ALA C C 13 175.162 0.0 . 1 . . . . 159 ALA C . 25410 1 485 . 1 1 142 142 ALA CA C 13 49.691 0.0 . 1 . . . . 159 ALA CA . 25410 1 486 . 1 1 142 142 ALA CB C 13 15.947 0.0 . 1 . . . . 159 ALA CB . 25410 1 487 . 1 1 142 142 ALA N N 15 125.692 0.0 . 1 . . . . 159 ALA N . 25410 1 488 . 1 1 143 143 THR H H 1 7.813 0.0 . 1 . . . . 160 THR H . 25410 1 489 . 1 1 143 143 THR C C 13 171.652 0.0 . 1 . . . . 160 THR C . 25410 1 490 . 1 1 143 143 THR CA C 13 58.929 0.0 . 1 . . . . 160 THR CA . 25410 1 491 . 1 1 143 143 THR CB C 13 66.868 0.0 . 1 . . . . 160 THR CB . 25410 1 492 . 1 1 143 143 THR N N 15 114.161 0.0 . 1 . . . . 160 THR N . 25410 1 493 . 1 1 144 144 ALA H H 1 8.013 0.0 . 1 . . . . 161 ALA H . 25410 1 494 . 1 1 144 144 ALA C C 13 174.79 0.0 . 1 . . . . 161 ALA C . 25410 1 495 . 1 1 144 144 ALA CA C 13 49.487 0.0 . 1 . . . . 161 ALA CA . 25410 1 496 . 1 1 144 144 ALA CB C 13 16.066 0.0 . 1 . . . . 161 ALA CB . 25410 1 497 . 1 1 144 144 ALA N N 15 127.25 0.0 . 1 . . . . 161 ALA N . 25410 1 498 . 1 1 145 145 VAL H H 1 7.801 0.0 . 1 . . . . 162 VAL H . 25410 1 499 . 1 1 145 145 VAL C C 13 173.238 0.0 . 1 . . . . 162 VAL C . 25410 1 500 . 1 1 145 145 VAL CA C 13 56.368 0.0 . 1 . . . . 162 VAL CA . 25410 1 501 . 1 1 145 145 VAL CB C 13 28.259 0.0 . 1 . . . . 162 VAL CB . 25410 1 502 . 1 1 145 145 VAL N N 15 119.729 0.0 . 1 . . . . 162 VAL N . 25410 1 503 . 1 1 146 146 GLU H H 1 8.109 0.0 . 1 . . . . 163 GLU H . 25410 1 504 . 1 1 146 146 GLU C C 13 173.383 0.0 . 1 . . . . 163 GLU C . 25410 1 505 . 1 1 146 146 GLU CA C 13 53.237 0.0 . 1 . . . . 163 GLU CA . 25410 1 506 . 1 1 146 146 GLU CB C 13 27.187 0.0 . 1 . . . . 163 GLU CB . 25410 1 507 . 1 1 146 146 GLU N N 15 125.07 0.0 . 1 . . . . 163 GLU N . 25410 1 508 . 1 1 147 147 TRP H H 1 8.13 0.0 . 1 . . . . 164 TRP H . 25410 1 509 . 1 1 147 147 TRP C C 13 173.569 0.0 . 1 . . . . 164 TRP C . 25410 1 510 . 1 1 147 147 TRP CA C 13 54.282 0.0 . 1 . . . . 164 TRP CA . 25410 1 511 . 1 1 147 147 TRP CB C 13 26.846 0.0 . 1 . . . . 164 TRP CB . 25410 1 512 . 1 1 147 147 TRP N N 15 123.397 0.0 . 1 . . . . 164 TRP N . 25410 1 513 . 1 1 148 148 GLY H H 1 7.875 0.0 . 1 . . . . 165 GLY H . 25410 1 514 . 1 1 148 148 GLY CA C 13 42.198 0.0 . 1 . . . . 165 GLY CA . 25410 1 515 . 1 1 148 148 GLY N N 15 110.678 0.0 . 1 . . . . 165 GLY N . 25410 1 516 . 1 1 149 149 PRO C C 13 174.072 0.0 . 1 . . . . 166 PRO C . 25410 1 517 . 1 1 149 149 PRO CA C 13 61.045 0.0 . 1 . . . . 166 PRO CA . 25410 1 518 . 1 1 149 149 PRO CB C 13 28.454 0.0 . 1 . . . . 166 PRO CB . 25410 1 519 . 1 1 150 150 ASN H H 1 8.157 0.0 . 1 . . . . 167 ASN H . 25410 1 520 . 1 1 150 150 ASN C C 13 173.369 0.0 . 1 . . . . 167 ASN C . 25410 1 521 . 1 1 150 150 ASN CA C 13 51.24 0.0 . 1 . . . . 167 ASN CA . 25410 1 522 . 1 1 150 150 ASN CB C 13 35.805 0.0 . 1 . . . . 167 ASN CB . 25410 1 523 . 1 1 150 150 ASN N N 15 117.034 0.0 . 1 . . . . 167 ASN N . 25410 1 524 . 1 1 151 151 THR H H 1 7.758 0.0 . 1 . . . . 168 THR H . 25410 1 525 . 1 1 151 151 THR C C 13 173.184 0.0 . 1 . . . . 168 THR C . 25410 1 526 . 1 1 151 151 THR CA C 13 61.315 0.0 . 1 . . . . 168 THR CA . 25410 1 527 . 1 1 151 151 THR CB C 13 66.163 0.0 . 1 . . . . 168 THR CB . 25410 1 528 . 1 1 151 151 THR N N 15 115.07 0.0 . 1 . . . . 168 THR N . 25410 1 529 . 1 1 152 152 TRP H H 1 7.915 0.0 . 1 . . . . 169 TRP H . 25410 1 530 . 1 1 152 152 TRP HE1 H 1 131.711 0.0 . 1 . . . . 169 TRP HE1 . 25410 1 531 . 1 1 152 152 TRP CA C 13 56.006 0.0 . 1 . . . . 169 TRP CA . 25410 1 532 . 1 1 152 152 TRP CB C 13 25.417 0.0 . 1 . . . . 169 TRP CB . 25410 1 533 . 1 1 152 152 TRP N N 15 122.525 0.0 . 1 . . . . 169 TRP N . 25410 1 534 . 1 1 152 152 TRP NE1 N 15 10.241 0.0 . 1 . . . . 169 TRP NE1 . 25410 1 535 . 1 1 153 153 MET H H 1 7.414 0.0 . 1 . . . . 170 MET H . 25410 1 536 . 1 1 153 153 MET C C 13 174.837 0.0 . 1 . . . . 170 MET C . 25410 1 537 . 1 1 153 153 MET CA C 13 55.818 0.0 . 1 . . . . 170 MET CA . 25410 1 538 . 1 1 153 153 MET CB C 13 29.041 0.0 . 1 . . . . 170 MET CB . 25410 1 539 . 1 1 153 153 MET N N 15 119.979 0.0 . 1 . . . . 170 MET N . 25410 1 540 . 1 1 154 154 VAL H H 1 7.247 0.0 . 1 . . . . 171 VAL H . 25410 1 541 . 1 1 154 154 VAL C C 13 175.31 0.0 . 1 . . . . 171 VAL C . 25410 1 542 . 1 1 154 154 VAL CA C 13 61.865 0.0 . 1 . . . . 171 VAL CA . 25410 1 543 . 1 1 154 154 VAL CB C 13 28.378 0.0 . 1 . . . . 171 VAL CB . 25410 1 544 . 1 1 154 154 VAL N N 15 118.578 0.0 . 1 . . . . 171 VAL N . 25410 1 545 . 1 1 155 155 GLU H H 1 7.799 0.0 . 1 . . . . 172 GLU H . 25410 1 546 . 1 1 155 155 GLU C C 13 175.852 0.0 . 1 . . . . 172 GLU C . 25410 1 547 . 1 1 155 155 GLU CA C 13 55.532 0.0 . 1 . . . . 172 GLU CA . 25410 1 548 . 1 1 155 155 GLU CB C 13 26.266 0.0 . 1 . . . . 172 GLU CB . 25410 1 549 . 1 1 155 155 GLU N N 15 120.061 0.0 . 1 . . . . 172 GLU N . 25410 1 550 . 1 1 156 156 TYR H H 1 7.941 0.0 . 1 . . . . 173 TYR H . 25410 1 551 . 1 1 156 156 TYR C C 13 174.795 0.0 . 1 . . . . 173 TYR C . 25410 1 552 . 1 1 156 156 TYR CA C 13 57.178 0.0 . 1 . . . . 173 TYR CA . 25410 1 553 . 1 1 156 156 TYR CB C 13 35.432 0.0 . 1 . . . . 173 TYR CB . 25410 1 554 . 1 1 156 156 TYR N N 15 119.095 0.0 . 1 . . . . 173 TYR N . 25410 1 555 . 1 1 157 157 GLY H H 1 7.94 0.0 . 1 . . . . 174 GLY H . 25410 1 556 . 1 1 157 157 GLY C C 13 171.7 0.0 . 1 . . . . 174 GLY C . 25410 1 557 . 1 1 157 157 GLY CA C 13 43.403 0.0 . 1 . . . . 174 GLY CA . 25410 1 558 . 1 1 157 157 GLY N N 15 106.847 0.0 . 1 . . . . 174 GLY N . 25410 1 559 . 1 1 158 158 ARG H H 1 7.84 0.0 . 1 . . . . 175 ARG H . 25410 1 560 . 1 1 158 158 ARG C C 13 174.795 0.0 . 1 . . . . 175 ARG C . 25410 1 561 . 1 1 158 158 ARG CA C 13 55.41 0.0 . 1 . . . . 175 ARG CA . 25410 1 562 . 1 1 158 158 ARG CB C 13 26.673 0.0 . 1 . . . . 175 ARG CB . 25410 1 563 . 1 1 158 158 ARG N N 15 119.808 0.0 . 1 . . . . 175 ARG N . 25410 1 564 . 1 1 159 159 GLY H H 1 7.941 0.0 . 1 . . . . 176 GLY H . 25410 1 565 . 1 1 159 159 GLY C C 13 172.022 0.0 . 1 . . . . 176 GLY C . 25410 1 566 . 1 1 159 159 GLY CA C 13 42.689 0.0 . 1 . . . . 176 GLY CA . 25410 1 567 . 1 1 159 159 GLY N N 15 107.583 0.0 . 1 . . . . 176 GLY N . 25410 1 568 . 1 1 160 160 VAL H H 1 7.543 0.0 . 1 . . . . 177 VAL H . 25410 1 569 . 1 1 160 160 VAL CA C 13 59.968 0.0 . 1 . . . . 177 VAL CA . 25410 1 570 . 1 1 160 160 VAL CB C 13 29.858 0.0 . 1 . . . . 177 VAL CB . 25410 1 571 . 1 1 160 160 VAL N N 15 117.841 0.0 . 1 . . . . 177 VAL N . 25410 1 572 . 1 1 164 164 THR H H 1 7.843 0.0 . 1 . . . . 181 THR H . 25410 1 573 . 1 1 164 164 THR C C 13 173.488 0.0 . 1 . . . . 181 THR C . 25410 1 574 . 1 1 164 164 THR CA C 13 61.852 0.0 . 1 . . . . 181 THR CA . 25410 1 575 . 1 1 164 164 THR CB C 13 65.607 0.0 . 1 . . . . 181 THR CB . 25410 1 576 . 1 1 164 164 THR N N 15 115.504 0.0 . 1 . . . . 181 THR N . 25410 1 577 . 1 1 165 165 LEU H H 1 7.444 0.0 . 1 . . . . 182 LEU H . 25410 1 578 . 1 1 165 165 LEU C C 13 173.749 0.0 . 1 . . . . 182 LEU C . 25410 1 579 . 1 1 165 165 LEU CA C 13 54.175 0.0 . 1 . . . . 182 LEU CA . 25410 1 580 . 1 1 165 165 LEU CB C 13 38.424 0.0 . 1 . . . . 182 LEU CB . 25410 1 581 . 1 1 165 165 LEU N N 15 122.04 0.0 . 1 . . . . 182 LEU N . 25410 1 582 . 1 1 166 166 ALA H H 1 7.735 0.0 . 1 . . . . 183 ALA H . 25410 1 583 . 1 1 166 166 ALA C C 13 176.311 0.0 . 1 . . . . 183 ALA C . 25410 1 584 . 1 1 166 166 ALA CA C 13 51.966 0.0 . 1 . . . . 183 ALA CA . 25410 1 585 . 1 1 166 166 ALA CB C 13 15.004 0.0 . 1 . . . . 183 ALA CB . 25410 1 586 . 1 1 166 166 ALA N N 15 121.675 0.0 . 1 . . . . 183 ALA N . 25410 1 587 . 1 1 167 167 PHE H H 1 7.809 0.0 . 1 . . . . 184 PHE H . 25410 1 588 . 1 1 167 167 PHE C C 13 174.396 0.0 . 1 . . . . 184 PHE C . 25410 1 589 . 1 1 167 167 PHE CA C 13 56.698 0.0 . 1 . . . . 184 PHE CA . 25410 1 590 . 1 1 167 167 PHE CB C 13 35.603 0.0 . 1 . . . . 184 PHE CB . 25410 1 591 . 1 1 167 167 PHE N N 15 116.907 0.0 . 1 . . . . 184 PHE N . 25410 1 592 . 1 1 168 168 ALA H H 1 7.672 0.0 . 1 . . . . 185 ALA H . 25410 1 593 . 1 1 168 168 ALA C C 13 176.183 0.0 . 1 . . . . 185 ALA C . 25410 1 594 . 1 1 168 168 ALA CA C 13 51.952 0.0 . 1 . . . . 185 ALA CA . 25410 1 595 . 1 1 168 168 ALA CB C 13 15.03 0.0 . 1 . . . . 185 ALA CB . 25410 1 596 . 1 1 168 168 ALA N N 15 122.55 0.0 . 1 . . . . 185 ALA N . 25410 1 597 . 1 1 169 169 LEU H H 1 7.743 0.0 . 1 . . . . 186 LEU H . 25410 1 598 . 1 1 169 169 LEU C C 13 175.147 0.0 . 1 . . . . 186 LEU C . 25410 1 599 . 1 1 169 169 LEU CA C 13 53.088 0.0 . 1 . . . . 186 LEU CA . 25410 1 600 . 1 1 169 169 LEU CB C 13 38.694 0.0 . 1 . . . . 186 LEU CB . 25410 1 601 . 1 1 169 169 LEU N N 15 117.453 0.0 . 1 . . . . 186 LEU N . 25410 1 602 . 1 1 170 170 ALA H H 1 7.6 0.0 . 1 . . . . 187 ALA H . 25410 1 603 . 1 1 170 170 ALA C C 13 175.171 0.0 . 1 . . . . 187 ALA C . 25410 1 604 . 1 1 170 170 ALA CA C 13 51.384 0.0 . 1 . . . . 187 ALA CA . 25410 1 605 . 1 1 170 170 ALA CB C 13 15.564 0.0 . 1 . . . . 187 ALA CB . 25410 1 606 . 1 1 170 170 ALA N N 15 122.274 0.0 . 1 . . . . 187 ALA N . 25410 1 607 . 1 1 171 171 ASP H H 1 7.903 0.0 . 1 . . . . 188 ASP H . 25410 1 608 . 1 1 171 171 ASP C C 13 174.005 0.0 . 1 . . . . 188 ASP C . 25410 1 609 . 1 1 171 171 ASP CA C 13 52.342 0.0 . 1 . . . . 188 ASP CA . 25410 1 610 . 1 1 171 171 ASP CB C 13 38.065 0.0 . 1 . . . . 188 ASP CB . 25410 1 611 . 1 1 171 171 ASP N N 15 117.176 0.0 . 1 . . . . 188 ASP N . 25410 1 612 . 1 1 172 172 THR H H 1 7.488 0.0 . 1 . . . . 189 THR H . 25410 1 613 . 1 1 172 172 THR C C 13 173.24 0.0 . 1 . . . . 189 THR C . 25410 1 614 . 1 1 172 172 THR CA C 13 60.215 0.0 . 1 . . . . 189 THR CA . 25410 1 615 . 1 1 172 172 THR CB C 13 66.99 0.0 . 1 . . . . 189 THR CB . 25410 1 616 . 1 1 172 172 THR N N 15 114.294 0.0 . 1 . . . . 189 THR N . 25410 1 617 . 1 1 173 173 VAL H H 1 7.948 0.0 . 1 . . . . 190 VAL H . 25410 1 618 . 1 1 173 173 VAL C C 13 173.139 0.0 . 1 . . . . 190 VAL C . 25410 1 619 . 1 1 173 173 VAL CA C 13 60.1 0.0 . 1 . . . . 190 VAL CA . 25410 1 620 . 1 1 173 173 VAL CB C 13 28.848 0.0 . 1 . . . . 190 VAL CB . 25410 1 621 . 1 1 173 173 VAL N N 15 121.478 0.0 . 1 . . . . 190 VAL N . 25410 1 622 . 1 1 174 174 PHE H H 1 7.813 0.0 . 1 . . . . 191 PHE H . 25410 1 623 . 1 1 174 174 PHE C C 13 172.374 0.0 . 1 . . . . 191 PHE C . 25410 1 624 . 1 1 174 174 PHE CA C 13 55.175 0.0 . 1 . . . . 191 PHE CA . 25410 1 625 . 1 1 174 174 PHE CB C 13 36.892 0.0 . 1 . . . . 191 PHE CB . 25410 1 626 . 1 1 174 174 PHE N N 15 121.346 0.0 . 1 . . . . 191 PHE N . 25410 1 627 . 1 1 175 175 SER H H 1 8.347 0.0 . 1 . . . . 192 SER H . 25410 1 628 . 1 1 175 175 SER CA C 13 54.784 0.0 . 1 . . . . 192 SER CA . 25410 1 629 . 1 1 175 175 SER CB C 13 62.515 0.0 . 1 . . . . 192 SER CB . 25410 1 630 . 1 1 175 175 SER N N 15 116.328 0.0 . 1 . . . . 192 SER N . 25410 1 631 . 1 1 176 176 THR H H 1 8.332 0.0 . 1 . . . . 193 THR H . 25410 1 632 . 1 1 176 176 THR CA C 13 62.251 0.0 . 1 . . . . 193 THR CA . 25410 1 633 . 1 1 176 176 THR CB C 13 65.802 0.0 . 1 . . . . 193 THR CB . 25410 1 634 . 1 1 176 176 THR N N 15 117.13 0.0 . 1 . . . . 193 THR N . 25410 1 635 . 1 1 177 177 GLN H H 1 8.11 0.0 . 1 . . . . 194 GLN H . 25410 1 636 . 1 1 177 177 GLN CA C 13 55.354 0.0 . 1 . . . . 194 GLN CA . 25410 1 637 . 1 1 177 177 GLN CB C 13 25.393 0.0 . 1 . . . . 194 GLN CB . 25410 1 638 . 1 1 177 177 GLN N N 15 121.241 0.0 . 1 . . . . 194 GLN N . 25410 1 639 . 1 1 178 178 ASP H H 1 7.761 0.0 . 1 . . . . 195 ASP H . 25410 1 640 . 1 1 178 178 ASP C C 13 175.272 0.0 . 1 . . . . 195 ASP C . 25410 1 641 . 1 1 178 178 ASP CA C 13 53.659 0.0 . 1 . . . . 195 ASP CA . 25410 1 642 . 1 1 178 178 ASP CB C 13 37.857 0.0 . 1 . . . . 195 ASP CB . 25410 1 643 . 1 1 178 178 ASP N N 15 120.496 0.0 . 1 . . . . 195 ASP N . 25410 1 644 . 1 1 179 179 PHE H H 1 7.853 0.0 . 1 . . . . 196 PHE H . 25410 1 645 . 1 1 179 179 PHE C C 13 174.589 0.0 . 1 . . . . 196 PHE C . 25410 1 646 . 1 1 179 179 PHE CA C 13 58.368 0.0 . 1 . . . . 196 PHE CA . 25410 1 647 . 1 1 179 179 PHE CB C 13 35.838 0.0 . 1 . . . . 196 PHE CB . 25410 1 648 . 1 1 179 179 PHE N N 15 120.231 0.0 . 1 . . . . 196 PHE N . 25410 1 649 . 1 1 180 180 LEU H H 1 8.069 0.0 . 1 . . . . 197 LEU H . 25410 1 650 . 1 1 180 180 LEU C C 13 175.802 0.0 . 1 . . . . 197 LEU C . 25410 1 651 . 1 1 180 180 LEU CA C 13 56.912 0.0 . 1 . . . . 197 LEU CA . 25410 1 652 . 1 1 180 180 LEU CB C 13 37.44 0.0 . 1 . . . . 197 LEU CB . 25410 1 653 . 1 1 180 180 LEU N N 15 120.811 0.0 . 1 . . . . 197 LEU N . 25410 1 654 . 1 1 181 181 THR H H 1 7.998 0.0 . 1 . . . . 198 THR H . 25410 1 655 . 1 1 181 181 THR C C 13 174.875 0.0 . 1 . . . . 198 THR C . 25410 1 656 . 1 1 181 181 THR CA C 13 63.541 0.0 . 1 . . . . 198 THR CA . 25410 1 657 . 1 1 181 181 THR CB C 13 65.217 0.0 . 1 . . . . 198 THR CB . 25410 1 658 . 1 1 181 181 THR N N 15 115.744 0.0 . 1 . . . . 198 THR N . 25410 1 659 . 1 1 182 182 LEU H H 1 7.587 0.0 . 1 . . . . 199 LEU H . 25410 1 660 . 1 1 182 182 LEU C C 13 175.576 0.0 . 1 . . . . 199 LEU C . 25410 1 661 . 1 1 182 182 LEU CA C 13 55.39 0.0 . 1 . . . . 199 LEU CA . 25410 1 662 . 1 1 182 182 LEU CB C 13 37.795 0.0 . 1 . . . . 199 LEU CB . 25410 1 663 . 1 1 182 182 LEU N N 15 124.318 0.0 . 1 . . . . 199 LEU N . 25410 1 664 . 1 1 183 183 PHE H H 1 8.18 0.0 . 1 . . . . 200 PHE H . 25410 1 665 . 1 1 183 183 PHE C C 13 174.342 0.0 . 1 . . . . 200 PHE C . 25410 1 666 . 1 1 183 183 PHE CA C 13 58.841 0.0 . 1 . . . . 200 PHE CA . 25410 1 667 . 1 1 183 183 PHE CB C 13 35.349 0.0 . 1 . . . . 200 PHE CB . 25410 1 668 . 1 1 183 183 PHE N N 15 120.443 0.0 . 1 . . . . 200 PHE N . 25410 1 669 . 1 1 184 184 TYR H H 1 8.463 0.0 . 1 . . . . 201 TYR H . 25410 1 670 . 1 1 184 184 TYR C C 13 177.047 0.0 . 1 . . . . 201 TYR C . 25410 1 671 . 1 1 184 184 TYR CA C 13 57.765 0.0 . 1 . . . . 201 TYR CA . 25410 1 672 . 1 1 184 184 TYR CB C 13 33.73 0.0 . 1 . . . . 201 TYR CB . 25410 1 673 . 1 1 184 184 TYR N N 15 118.979 0.0 . 1 . . . . 201 TYR N . 25410 1 674 . 1 1 185 185 THR H H 1 8.107 0.0 . 1 . . . . 202 THR H . 25410 1 675 . 1 1 185 185 THR C C 13 173.767 0.0 . 1 . . . . 202 THR C . 25410 1 676 . 1 1 185 185 THR CA C 13 63.65 0.0 . 1 . . . . 202 THR CA . 25410 1 677 . 1 1 185 185 THR CB C 13 65.352 0.0 . 1 . . . . 202 THR CB . 25410 1 678 . 1 1 185 185 THR N N 15 119.376 0.0 . 1 . . . . 202 THR N . 25410 1 679 . 1 1 186 186 LEU H H 1 8.198 0.0 . 1 . . . . 203 LEU H . 25410 1 680 . 1 1 186 186 LEU C C 13 175.79 0.0 . 1 . . . . 203 LEU C . 25410 1 681 . 1 1 186 186 LEU CA C 13 55.347 0.0 . 1 . . . . 203 LEU CA . 25410 1 682 . 1 1 186 186 LEU CB C 13 37.972 0.0 . 1 . . . . 203 LEU CB . 25410 1 683 . 1 1 186 186 LEU N N 15 122.928 0.0 . 1 . . . . 203 LEU N . 25410 1 684 . 1 1 187 187 ARG H H 1 8.276 0.0 . 1 . . . . 204 ARG H . 25410 1 685 . 1 1 187 187 ARG C C 13 175.45 0.0 . 1 . . . . 204 ARG C . 25410 1 686 . 1 1 187 187 ARG CA C 13 56.948 0.0 . 1 . . . . 204 ARG CA . 25410 1 687 . 1 1 187 187 ARG CB C 13 26.262 0.0 . 1 . . . . 204 ARG CB . 25410 1 688 . 1 1 187 187 ARG N N 15 119.319 0.0 . 1 . . . . 204 ARG N . 25410 1 689 . 1 1 188 188 SER H H 1 7.674 0.0 . 1 . . . . 205 SER H . 25410 1 690 . 1 1 188 188 SER C C 13 174.627 0.0 . 1 . . . . 205 SER C . 25410 1 691 . 1 1 188 188 SER CA C 13 58.724 0.0 . 1 . . . . 205 SER CA . 25410 1 692 . 1 1 188 188 SER N N 15 115.383 0.0 . 1 . . . . 205 SER N . 25410 1 693 . 1 1 189 189 TYR H H 1 7.814 0.0 . 1 . . . . 206 TYR H . 25410 1 694 . 1 1 189 189 TYR C C 13 175.175 0.0 . 1 . . . . 206 TYR C . 25410 1 695 . 1 1 189 189 TYR CA C 13 56.287 0.0 . 1 . . . . 206 TYR CA . 25410 1 696 . 1 1 189 189 TYR CB C 13 35.024 0.0 . 1 . . . . 206 TYR CB . 25410 1 697 . 1 1 189 189 TYR N N 15 122.572 0.0 . 1 . . . . 206 TYR N . 25410 1 698 . 1 1 190 190 ALA H H 1 8.194 0.0 . 1 . . . . 207 ALA H . 25410 1 699 . 1 1 190 190 ALA C C 13 176.028 0.0 . 1 . . . . 207 ALA C . 25410 1 700 . 1 1 190 190 ALA CA C 13 51.89 0.0 . 1 . . . . 207 ALA CA . 25410 1 701 . 1 1 190 190 ALA CB C 13 15.224 0.0 . 1 . . . . 207 ALA CB . 25410 1 702 . 1 1 190 190 ALA N N 15 121.53 0.0 . 1 . . . . 207 ALA N . 25410 1 703 . 1 1 191 191 ARG H H 1 7.781 0.0 . 1 . . . . 208 ARG H . 25410 1 704 . 1 1 191 191 ARG C C 13 175.863 0.0 . 1 . . . . 208 ARG C . 25410 1 705 . 1 1 191 191 ARG CA C 13 56.117 0.0 . 1 . . . . 208 ARG CA . 25410 1 706 . 1 1 191 191 ARG CB C 13 26.692 0.0 . 1 . . . . 208 ARG CB . 25410 1 707 . 1 1 191 191 ARG N N 15 117.761 0.0 . 1 . . . . 208 ARG N . 25410 1 708 . 1 1 192 192 GLY H H 1 7.862 0.0 . 1 . . . . 209 GLY H . 25410 1 709 . 1 1 192 192 GLY C C 13 172.735 0.0 . 1 . . . . 209 GLY C . 25410 1 710 . 1 1 192 192 GLY CA C 13 43.295 0.0 . 1 . . . . 209 GLY CA . 25410 1 711 . 1 1 192 192 GLY N N 15 107.882 0.0 . 1 . . . . 209 GLY N . 25410 1 712 . 1 1 193 193 LEU H H 1 7.584 0.0 . 1 . . . . 210 LEU H . 25410 1 713 . 1 1 193 193 LEU C C 13 173.243 0.0 . 1 . . . . 210 LEU C . 25410 1 714 . 1 1 193 193 LEU CA C 13 57.955 0.0 . 1 . . . . 210 LEU CA . 25410 1 715 . 1 1 193 193 LEU N N 15 121.958 0.0 . 1 . . . . 210 LEU N . 25410 1 716 . 1 1 194 194 ARG H H 1 8.293 0.0 . 1 . . . . 211 ARG H . 25410 1 717 . 1 1 194 194 ARG CA C 13 53.734 0.0 . 1 . . . . 211 ARG CA . 25410 1 718 . 1 1 194 194 ARG N N 15 125.813 0.0 . 1 . . . . 211 ARG N . 25410 1 719 . 1 1 195 195 LEU C C 13 175.806 0.0 . 1 . . . . 212 LEU C . 25410 1 720 . 1 1 196 196 GLU H H 1 8.432 0.0 . 1 . . . . 213 GLU H . 25410 1 721 . 1 1 196 196 GLU C C 13 176.024 0.0 . 1 . . . . 213 GLU C . 25410 1 722 . 1 1 196 196 GLU CA C 13 55.421 0.0 . 1 . . . . 213 GLU CA . 25410 1 723 . 1 1 196 196 GLU CB C 13 25.92 0.0 . 1 . . . . 213 GLU CB . 25410 1 724 . 1 1 196 196 GLU N N 15 122.246 0.0 . 1 . . . . 213 GLU N . 25410 1 725 . 1 1 197 197 LEU H H 1 8.332 0.0 . 1 . . . . 214 LEU H . 25410 1 726 . 1 1 197 197 LEU C C 13 175.895 0.0 . 1 . . . . 214 LEU C . 25410 1 727 . 1 1 197 197 LEU CA C 13 54.862 0.0 . 1 . . . . 214 LEU CA . 25410 1 728 . 1 1 197 197 LEU CB C 13 38.998 0.0 . 1 . . . . 214 LEU CB . 25410 1 729 . 1 1 197 197 LEU N N 15 120.63 0.0 . 1 . . . . 214 LEU N . 25410 1 730 . 1 1 198 198 THR H H 1 8.079 0.0 . 1 . . . . 215 THR H . 25410 1 731 . 1 1 198 198 THR CA C 13 63.454 0.0 . 1 . . . . 215 THR CA . 25410 1 732 . 1 1 198 198 THR CB C 13 65.371 0.0 . 1 . . . . 215 THR CB . 25410 1 733 . 1 1 198 198 THR N N 15 112.585 0.0 . 1 . . . . 215 THR N . 25410 1 734 . 1 1 199 199 THR H H 1 7.811 0.0 . 1 . . . . 216 THR H . 25410 1 735 . 1 1 199 199 THR C C 13 173.59 0.0 . 1 . . . . 216 THR C . 25410 1 736 . 1 1 199 199 THR CA C 13 62.635 0.0 . 1 . . . . 216 THR CA . 25410 1 737 . 1 1 199 199 THR CB C 13 65.562 0.0 . 1 . . . . 216 THR CB . 25410 1 738 . 1 1 199 199 THR N N 15 118.059 0.0 . 1 . . . . 216 THR N . 25410 1 739 . 1 1 200 200 TYR H H 1 7.584 0.0 . 1 . . . . 217 TYR H . 25410 1 740 . 1 1 200 200 TYR C C 13 173.84 0.0 . 1 . . . . 217 TYR C . 25410 1 741 . 1 1 200 200 TYR CA C 13 57.879 0.0 . 1 . . . . 217 TYR CA . 25410 1 742 . 1 1 200 200 TYR CB C 13 35.55 0.0 . 1 . . . . 217 TYR CB . 25410 1 743 . 1 1 200 200 TYR N N 15 121.754 0.0 . 1 . . . . 217 TYR N . 25410 1 744 . 1 1 201 201 LEU H H 1 7.623 0.0 . 1 . . . . 218 LEU H . 25410 1 745 . 1 1 201 201 LEU C C 13 174.459 0.0 . 1 . . . . 218 LEU C . 25410 1 746 . 1 1 201 201 LEU CA C 13 53.821 0.0 . 1 . . . . 218 LEU CA . 25410 1 747 . 1 1 201 201 LEU CB C 13 39.439 0.0 . 1 . . . . 218 LEU CB . 25410 1 748 . 1 1 201 201 LEU N N 15 116.083 0.0 . 1 . . . . 218 LEU N . 25410 1 749 . 1 1 202 202 PHE H H 1 7.7 0.0 . 1 . . . . 219 PHE H . 25410 1 750 . 1 1 202 202 PHE C C 13 174.08 0.0 . 1 . . . . 219 PHE C . 25410 1 751 . 1 1 202 202 PHE CA C 13 54.493 0.0 . 1 . . . . 219 PHE CA . 25410 1 752 . 1 1 202 202 PHE CB C 13 36.711 0.0 . 1 . . . . 219 PHE CB . 25410 1 753 . 1 1 202 202 PHE N N 15 113.787 0.0 . 1 . . . . 219 PHE N . 25410 1 754 . 1 1 203 203 GLY H H 1 7.754 0.0 . 1 . . . . 220 GLY H . 25410 1 755 . 1 1 203 203 GLY C C 13 170.753 0.0 . 1 . . . . 220 GLY C . 25410 1 756 . 1 1 203 203 GLY CA C 13 42.398 0.0 . 1 . . . . 220 GLY CA . 25410 1 757 . 1 1 203 203 GLY N N 15 109.79 0.0 . 1 . . . . 220 GLY N . 25410 1 758 . 1 1 204 204 GLN H H 1 7.991 0.0 . 1 . . . . 221 GLN H . 25410 1 759 . 1 1 204 204 GLN C C 13 172.828 0.0 . 1 . . . . 221 GLN C . 25410 1 760 . 1 1 204 204 GLN CA C 13 52.428 0.0 . 1 . . . . 221 GLN CA . 25410 1 761 . 1 1 204 204 GLN CB C 13 26.964 0.0 . 1 . . . . 221 GLN CB . 25410 1 762 . 1 1 204 204 GLN N N 15 119.177 0.0 . 1 . . . . 221 GLN N . 25410 1 763 . 1 1 205 205 ASP H H 1 8.168 0.0 . 1 . . . . 222 ASP H . 25410 1 764 . 1 1 205 205 ASP CA C 13 50.085 0.0 . 1 . . . . 222 ASP CA . 25410 1 765 . 1 1 205 205 ASP CB C 13 37.369 0.0 . 1 . . . . 222 ASP CB . 25410 1 766 . 1 1 205 205 ASP N N 15 124.532 0.0 . 1 . . . . 222 ASP N . 25410 1 stop_ save_