data_17614 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the mitochondrial uncoupling protein 2 determined by NMR molecular fragment replacement ; _BMRB_accession_number 17614 _BMRB_flat_file_name bmr17614.str _Entry_type original _Submission_date 2011-04-29 _Accession_date 2011-04-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berardi Marcelo J. . 2 Chou James J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 249 "13C chemical shifts" 695 "15N chemical shifts" 236 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-07 update BMRB 'update entry citation' 2011-08-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Mitochondrial uncoupling protein 2 structure determined by NMR molecular fragment searching.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21785437 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Berardi Marcelo J. . 2 Shih William M. . 3 Harrison Stephen C. . 4 Chou James J. . stop_ _Journal_abbreviation Nature _Journal_name_full Nature _Journal_volume 476 _Journal_issue 7358 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 109 _Page_last 113 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name UCP2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UCP2 $UCP2 UCP2-SL1 $UCP2-SL1 UCP2-SL2 $UCP2-SL2 UCP2-SL3 $UCP2-SL3 UCP2-SL4 $UCP2-SL4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_UCP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UCP2 _Molecular_mass 32227.426 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 303 _Mol_residue_sequence ; MTVKFLGAGTAACIADLITF PLDTAKVRLQIQGESQGLVR TAASAQYRGVLGTILTMVRT EGPRSLYNGLVAGLQRQMSF ASVRIGLYDSVKQFYTKGSE HAGIGSRLLAGSTTGALAVA VAQPTDVVKVRFQAQARAGG GRRYQSTVEAYKTIAREEGI RGLWKGTSPNVARNAIVNCA ELVTYDLIKDTLLKANLMTD DLPCHFTSAFGAGFCTTVIA SPVDVVKTRYMNSALGQYHS AGHCALTMLRKEGPRAFYKG FMPSFLRLGSWNVVMFVTYE QLKRALMAAYQSREAPFHHH HHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 MET 2 14 THR 3 15 VAL 4 16 LYS 5 17 PHE 6 18 LEU 7 19 GLY 8 20 ALA 9 21 GLY 10 22 THR 11 23 ALA 12 24 ALA 13 25 CYS 14 26 ILE 15 27 ALA 16 28 ASP 17 29 LEU 18 30 ILE 19 31 THR 20 32 PHE 21 33 PRO 22 34 LEU 23 35 ASP 24 36 THR 25 37 ALA 26 38 LYS 27 39 VAL 28 40 ARG 29 41 LEU 30 42 GLN 31 43 ILE 32 44 GLN 33 45 GLY 34 46 GLU 35 47 SER 36 48 GLN 37 49 GLY 38 50 LEU 39 51 VAL 40 52 ARG 41 53 THR 42 54 ALA 43 55 ALA 44 56 SER 45 57 ALA 46 58 GLN 47 59 TYR 48 60 ARG 49 61 GLY 50 62 VAL 51 63 LEU 52 64 GLY 53 65 THR 54 66 ILE 55 67 LEU 56 68 THR 57 69 MET 58 70 VAL 59 71 ARG 60 72 THR 61 73 GLU 62 74 GLY 63 75 PRO 64 76 ARG 65 77 SER 66 78 LEU 67 79 TYR 68 80 ASN 69 81 GLY 70 82 LEU 71 83 VAL 72 84 ALA 73 85 GLY 74 86 LEU 75 87 GLN 76 88 ARG 77 89 GLN 78 90 MET 79 91 SER 80 92 PHE 81 93 ALA 82 94 SER 83 95 VAL 84 96 ARG 85 97 ILE 86 98 GLY 87 99 LEU 88 100 TYR 89 101 ASP 90 102 SER 91 103 VAL 92 104 LYS 93 105 GLN 94 106 PHE 95 107 TYR 96 108 THR 97 109 LYS 98 110 GLY 99 111 SER 100 112 GLU 101 113 HIS 102 114 ALA 103 115 GLY 104 116 ILE 105 117 GLY 106 118 SER 107 119 ARG 108 120 LEU 109 121 LEU 110 122 ALA 111 123 GLY 112 124 SER 113 125 THR 114 126 THR 115 127 GLY 116 128 ALA 117 129 LEU 118 130 ALA 119 131 VAL 120 132 ALA 121 133 VAL 122 134 ALA 123 135 GLN 124 136 PRO 125 137 THR 126 138 ASP 127 139 VAL 128 140 VAL 129 141 LYS 130 142 VAL 131 143 ARG 132 144 PHE 133 145 GLN 134 146 ALA 135 147 GLN 136 148 ALA 137 149 ARG 138 150 ALA 139 151 GLY 140 152 GLY 141 153 GLY 142 154 ARG 143 155 ARG 144 156 TYR 145 157 GLN 146 158 SER 147 159 THR 148 160 VAL 149 161 GLU 150 162 ALA 151 163 TYR 152 164 LYS 153 165 THR 154 166 ILE 155 167 ALA 156 168 ARG 157 169 GLU 158 170 GLU 159 171 GLY 160 172 ILE 161 173 ARG 162 174 GLY 163 175 LEU 164 176 TRP 165 177 LYS 166 178 GLY 167 179 THR 168 180 SER 169 181 PRO 170 182 ASN 171 183 VAL 172 184 ALA 173 185 ARG 174 186 ASN 175 187 ALA 176 188 ILE 177 189 VAL 178 190 ASN 179 191 CYS 180 192 ALA 181 193 GLU 182 194 LEU 183 195 VAL 184 196 THR 185 197 TYR 186 198 ASP 187 199 LEU 188 200 ILE 189 201 LYS 190 202 ASP 191 203 THR 192 204 LEU 193 205 LEU 194 206 LYS 195 207 ALA 196 208 ASN 197 209 LEU 198 210 MET 199 211 THR 200 212 ASP 201 213 ASP 202 214 LEU 203 215 PRO 204 216 CYS 205 217 HIS 206 218 PHE 207 219 THR 208 220 SER 209 221 ALA 210 222 PHE 211 223 GLY 212 224 ALA 213 225 GLY 214 226 PHE 215 227 CYS 216 228 THR 217 229 THR 218 230 VAL 219 231 ILE 220 232 ALA 221 233 SER 222 234 PRO 223 235 VAL 224 236 ASP 225 237 VAL 226 238 VAL 227 239 LYS 228 240 THR 229 241 ARG 230 242 TYR 231 243 MET 232 244 ASN 233 245 SER 234 246 ALA 235 247 LEU 236 248 GLY 237 249 GLN 238 250 TYR 239 251 HIS 240 252 SER 241 253 ALA 242 254 GLY 243 255 HIS 244 256 CYS 245 257 ALA 246 258 LEU 247 259 THR 248 260 MET 249 261 LEU 250 262 ARG 251 263 LYS 252 264 GLU 253 265 GLY 254 266 PRO 255 267 ARG 256 268 ALA 257 269 PHE 258 270 TYR 259 271 LYS 260 272 GLY 261 273 PHE 262 274 MET 263 275 PRO 264 276 SER 265 277 PHE 266 278 LEU 267 279 ARG 268 280 LEU 269 281 GLY 270 282 SER 271 283 TRP 272 284 ASN 273 285 VAL 274 286 VAL 275 287 MET 276 288 PHE 277 289 VAL 278 290 THR 279 291 TYR 280 292 GLU 281 293 GLN 282 294 LEU 283 295 LYS 284 296 ARG 285 297 ALA 286 298 LEU 287 299 MET 288 300 ALA 289 301 ALA 290 302 TYR 291 303 GLN 292 304 SER 293 305 ARG 294 306 GLU 295 307 ALA 296 308 PRO 297 309 PHE 298 310 HIS 299 311 HIS 300 312 HIS 301 313 HIS 302 314 HIS 303 315 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LCK "Structure Of The Mitochondrial Uncoupling Protein 2 Determined By Nmr Molecular Fragment Replacement" 100.00 303 100.00 100.00 0.00e+00 DBJ BAA23383 "uncoupling protein-2 [Rattus norvegicus]" 97.69 309 98.99 99.32 0.00e+00 DBJ BAA25698 "UCP2 [Rattus norvegicus]" 97.69 309 98.65 98.99 0.00e+00 DBJ BAA28832 "uncoupling protein 2 [Rattus norvegicus]" 97.69 309 98.99 99.32 0.00e+00 DBJ BAA32532 "uncoupling protein-2 [Mus musculus]" 97.69 309 99.66 100.00 0.00e+00 DBJ BAC29021 "unnamed protein product [Mus musculus]" 97.69 309 99.66 99.66 0.00e+00 GB AAB17666 "UCP2 [Mus musculus]" 97.69 309 100.00 100.00 0.00e+00 GB AAB53092 "uncoupling protein homolog [Mus musculus]" 97.69 309 100.00 100.00 0.00e+00 GB AAC98733 "uncoupling protein 2 [Rattus norvegicus]" 97.69 309 98.99 99.32 0.00e+00 GB AAD17198 "uncoupling protein 2 [Mus musculus]" 97.69 309 100.00 100.00 0.00e+00 GB AAD17199 "uncoupling protein 2 [Mus musculus]" 97.69 309 99.66 99.66 0.00e+00 REF NP_035801 "mitochondrial uncoupling protein 2 [Mus musculus]" 97.69 309 100.00 100.00 0.00e+00 REF NP_062227 "mitochondrial uncoupling protein 2 [Rattus norvegicus]" 97.69 309 98.99 99.32 0.00e+00 REF XP_003511817 "PREDICTED: mitochondrial uncoupling protein 2 [Cricetulus griseus]" 97.69 309 97.64 98.99 0.00e+00 REF XP_005357555 "PREDICTED: mitochondrial uncoupling protein 2 [Microtus ochrogaster]" 97.69 309 98.31 98.99 0.00e+00 REF XP_006507642 "PREDICTED: mitochondrial uncoupling protein 2 isoform X1 [Mus musculus]" 97.69 309 100.00 100.00 0.00e+00 SP P56500 "RecName: Full=Mitochondrial uncoupling protein 2; Short=UCP 2; AltName: Full=Solute carrier family 25 member 8" 97.69 309 98.99 99.32 0.00e+00 SP P70406 "RecName: Full=Mitochondrial uncoupling protein 2; Short=UCP 2; AltName: Full=Solute carrier family 25 member 8; AltName: Full=U" 97.69 309 100.00 100.00 0.00e+00 stop_ save_ save_UCP2-SL1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UCP2-SL1 _Molecular_mass 32227.426 _Mol_thiol_state . _Details . _Residue_count 303 _Mol_residue_sequence ; MTVKFLGAGTAAAIADLITF PLDTAKVRLQIQGESQGLVR TAASAQYRGVLGTILCMVRT EGPRSLYNGLVAGLQRQMSF ASVRIGLYDSVKQFYTKGSE HAGIGSRLLAGSTTGALAVA VAQPTDVVKVRFQAQARAGG GRRYQSTVEAYKTIAREEGI RGLWKGTSPNVARNAIVNSA ELVTYDLIKDTLLKANLMTD DLPSHFTSAFGAGFSTTVIA SPVDVVKTRYMNSALGQYHS AGHSALTMLRKEGPRAFYKG FMPSFLRLGSWNVVMFVTYE QLKRALMAAYQSREAPFHHH HHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 VAL 4 LYS 5 PHE 6 LEU 7 GLY 8 ALA 9 GLY 10 THR 11 ALA 12 ALA 13 ALA 14 ILE 15 ALA 16 ASP 17 LEU 18 ILE 19 THR 20 PHE 21 PRO 22 LEU 23 ASP 24 THR 25 ALA 26 LYS 27 VAL 28 ARG 29 LEU 30 GLN 31 ILE 32 GLN 33 GLY 34 GLU 35 SER 36 GLN 37 GLY 38 LEU 39 VAL 40 ARG 41 THR 42 ALA 43 ALA 44 SER 45 ALA 46 GLN 47 TYR 48 ARG 49 GLY 50 VAL 51 LEU 52 GLY 53 THR 54 ILE 55 LEU 56 CYS 57 MET 58 VAL 59 ARG 60 THR 61 GLU 62 GLY 63 PRO 64 ARG 65 SER 66 LEU 67 TYR 68 ASN 69 GLY 70 LEU 71 VAL 72 ALA 73 GLY 74 LEU 75 GLN 76 ARG 77 GLN 78 MET 79 SER 80 PHE 81 ALA 82 SER 83 VAL 84 ARG 85 ILE 86 GLY 87 LEU 88 TYR 89 ASP 90 SER 91 VAL 92 LYS 93 GLN 94 PHE 95 TYR 96 THR 97 LYS 98 GLY 99 SER 100 GLU 101 HIS 102 ALA 103 GLY 104 ILE 105 GLY 106 SER 107 ARG 108 LEU 109 LEU 110 ALA 111 GLY 112 SER 113 THR 114 THR 115 GLY 116 ALA 117 LEU 118 ALA 119 VAL 120 ALA 121 VAL 122 ALA 123 GLN 124 PRO 125 THR 126 ASP 127 VAL 128 VAL 129 LYS 130 VAL 131 ARG 132 PHE 133 GLN 134 ALA 135 GLN 136 ALA 137 ARG 138 ALA 139 GLY 140 GLY 141 GLY 142 ARG 143 ARG 144 TYR 145 GLN 146 SER 147 THR 148 VAL 149 GLU 150 ALA 151 TYR 152 LYS 153 THR 154 ILE 155 ALA 156 ARG 157 GLU 158 GLU 159 GLY 160 ILE 161 ARG 162 GLY 163 LEU 164 TRP 165 LYS 166 GLY 167 THR 168 SER 169 PRO 170 ASN 171 VAL 172 ALA 173 ARG 174 ASN 175 ALA 176 ILE 177 VAL 178 ASN 179 SER 180 ALA 181 GLU 182 LEU 183 VAL 184 THR 185 TYR 186 ASP 187 LEU 188 ILE 189 LYS 190 ASP 191 THR 192 LEU 193 LEU 194 LYS 195 ALA 196 ASN 197 LEU 198 MET 199 THR 200 ASP 201 ASP 202 LEU 203 PRO 204 SER 205 HIS 206 PHE 207 THR 208 SER 209 ALA 210 PHE 211 GLY 212 ALA 213 GLY 214 PHE 215 SER 216 THR 217 THR 218 VAL 219 ILE 220 ALA 221 SER 222 PRO 223 VAL 224 ASP 225 VAL 226 VAL 227 LYS 228 THR 229 ARG 230 TYR 231 MET 232 ASN 233 SER 234 ALA 235 LEU 236 GLY 237 GLN 238 TYR 239 HIS 240 SER 241 ALA 242 GLY 243 HIS 244 SER 245 ALA 246 LEU 247 THR 248 MET 249 LEU 250 ARG 251 LYS 252 GLU 253 GLY 254 PRO 255 ARG 256 ALA 257 PHE 258 TYR 259 LYS 260 GLY 261 PHE 262 MET 263 PRO 264 SER 265 PHE 266 LEU 267 ARG 268 LEU 269 GLY 270 SER 271 TRP 272 ASN 273 VAL 274 VAL 275 MET 276 PHE 277 VAL 278 THR 279 TYR 280 GLU 281 GLN 282 LEU 283 LYS 284 ARG 285 ALA 286 LEU 287 MET 288 ALA 289 ALA 290 TYR 291 GLN 292 SER 293 ARG 294 GLU 295 ALA 296 PRO 297 PHE 298 HIS 299 HIS 300 HIS 301 HIS 302 HIS 303 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LCK "Structure Of The Mitochondrial Uncoupling Protein 2 Determined By Nmr Molecular Fragment Replacement" 100.00 303 98.02 98.02 0.00e+00 DBJ BAA23383 "uncoupling protein-2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 DBJ BAA28832 "uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 DBJ BAA32532 "uncoupling protein-2 [Mus musculus]" 97.69 309 97.64 97.97 0.00e+00 DBJ BAC29021 "unnamed protein product [Mus musculus]" 97.69 309 97.64 97.64 0.00e+00 DBJ BAC35641 "unnamed protein product [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAB17666 "UCP2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAB53092 "uncoupling protein homolog [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAC98733 "uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 GB AAD17198 "uncoupling protein 2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAD17199 "uncoupling protein 2 [Mus musculus]" 97.69 309 97.64 97.64 0.00e+00 REF NP_035801 "mitochondrial uncoupling protein 2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 REF NP_062227 "mitochondrial uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 REF XP_006507642 "PREDICTED: mitochondrial uncoupling protein 2 isoform X1 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 REF XP_006982207 "PREDICTED: mitochondrial uncoupling protein 2 [Peromyscus maniculatus bairdii]" 97.69 309 96.96 97.64 0.00e+00 SP P56500 "RecName: Full=Mitochondrial uncoupling protein 2; Short=UCP 2; AltName: Full=Solute carrier family 25 member 8 [Rattus norvegic" 97.69 309 96.96 97.30 0.00e+00 SP P70406 "RecName: Full=Mitochondrial uncoupling protein 2; Short=UCP 2; AltName: Full=Solute carrier family 25 member 8; AltName: Full=U" 97.69 309 97.97 97.97 0.00e+00 stop_ save_ save_UCP2-SL2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UCP2-SL2 _Molecular_mass 32227.426 _Mol_thiol_state . _Details . _Residue_count 303 _Mol_residue_sequence ; MTVKFLGAGTAAAIADLITF PLDTAKVRLQIQGESQGLVR TAASAQYRGVLGTILTMVRT EGPRSLYNGLVAGLQRQMSF ASVRIGLYDSVKCFYTKGSE HAGIGSRLLAGSTTGALAVA VAQPTDVVKVRFQAQARAGG GRRYQSTVEAYKTIAREEGI RGLWKGTSPNVARNAIVNSA ELVTYDLIKDTLLKANLMTD DLPSHFTSAFGAGFSTTVIA SPVDVVKTRYMNSALGQYHS AGHSALTMLRKEGPRAFYKG FMPSFLRLGSWNVVMFVTYE QLKRALMAAYQSREAPFHHH HHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 VAL 4 LYS 5 PHE 6 LEU 7 GLY 8 ALA 9 GLY 10 THR 11 ALA 12 ALA 13 ALA 14 ILE 15 ALA 16 ASP 17 LEU 18 ILE 19 THR 20 PHE 21 PRO 22 LEU 23 ASP 24 THR 25 ALA 26 LYS 27 VAL 28 ARG 29 LEU 30 GLN 31 ILE 32 GLN 33 GLY 34 GLU 35 SER 36 GLN 37 GLY 38 LEU 39 VAL 40 ARG 41 THR 42 ALA 43 ALA 44 SER 45 ALA 46 GLN 47 TYR 48 ARG 49 GLY 50 VAL 51 LEU 52 GLY 53 THR 54 ILE 55 LEU 56 THR 57 MET 58 VAL 59 ARG 60 THR 61 GLU 62 GLY 63 PRO 64 ARG 65 SER 66 LEU 67 TYR 68 ASN 69 GLY 70 LEU 71 VAL 72 ALA 73 GLY 74 LEU 75 GLN 76 ARG 77 GLN 78 MET 79 SER 80 PHE 81 ALA 82 SER 83 VAL 84 ARG 85 ILE 86 GLY 87 LEU 88 TYR 89 ASP 90 SER 91 VAL 92 LYS 93 CYS 94 PHE 95 TYR 96 THR 97 LYS 98 GLY 99 SER 100 GLU 101 HIS 102 ALA 103 GLY 104 ILE 105 GLY 106 SER 107 ARG 108 LEU 109 LEU 110 ALA 111 GLY 112 SER 113 THR 114 THR 115 GLY 116 ALA 117 LEU 118 ALA 119 VAL 120 ALA 121 VAL 122 ALA 123 GLN 124 PRO 125 THR 126 ASP 127 VAL 128 VAL 129 LYS 130 VAL 131 ARG 132 PHE 133 GLN 134 ALA 135 GLN 136 ALA 137 ARG 138 ALA 139 GLY 140 GLY 141 GLY 142 ARG 143 ARG 144 TYR 145 GLN 146 SER 147 THR 148 VAL 149 GLU 150 ALA 151 TYR 152 LYS 153 THR 154 ILE 155 ALA 156 ARG 157 GLU 158 GLU 159 GLY 160 ILE 161 ARG 162 GLY 163 LEU 164 TRP 165 LYS 166 GLY 167 THR 168 SER 169 PRO 170 ASN 171 VAL 172 ALA 173 ARG 174 ASN 175 ALA 176 ILE 177 VAL 178 ASN 179 SER 180 ALA 181 GLU 182 LEU 183 VAL 184 THR 185 TYR 186 ASP 187 LEU 188 ILE 189 LYS 190 ASP 191 THR 192 LEU 193 LEU 194 LYS 195 ALA 196 ASN 197 LEU 198 MET 199 THR 200 ASP 201 ASP 202 LEU 203 PRO 204 SER 205 HIS 206 PHE 207 THR 208 SER 209 ALA 210 PHE 211 GLY 212 ALA 213 GLY 214 PHE 215 SER 216 THR 217 THR 218 VAL 219 ILE 220 ALA 221 SER 222 PRO 223 VAL 224 ASP 225 VAL 226 VAL 227 LYS 228 THR 229 ARG 230 TYR 231 MET 232 ASN 233 SER 234 ALA 235 LEU 236 GLY 237 GLN 238 TYR 239 HIS 240 SER 241 ALA 242 GLY 243 HIS 244 SER 245 ALA 246 LEU 247 THR 248 MET 249 LEU 250 ARG 251 LYS 252 GLU 253 GLY 254 PRO 255 ARG 256 ALA 257 PHE 258 TYR 259 LYS 260 GLY 261 PHE 262 MET 263 PRO 264 SER 265 PHE 266 LEU 267 ARG 268 LEU 269 GLY 270 SER 271 TRP 272 ASN 273 VAL 274 VAL 275 MET 276 PHE 277 VAL 278 THR 279 TYR 280 GLU 281 GLN 282 LEU 283 LYS 284 ARG 285 ALA 286 LEU 287 MET 288 ALA 289 ALA 290 TYR 291 GLN 292 SER 293 ARG 294 GLU 295 ALA 296 PRO 297 PHE 298 HIS 299 HIS 300 HIS 301 HIS 302 HIS 303 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LCK "Structure Of The Mitochondrial Uncoupling Protein 2 Determined By Nmr Molecular Fragment Replacement" 100.00 303 98.02 98.02 0.00e+00 DBJ BAA23383 "uncoupling protein-2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 DBJ BAA28832 "uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 DBJ BAA32532 "uncoupling protein-2 [Mus musculus]" 97.69 309 97.64 97.97 0.00e+00 DBJ BAC29021 "unnamed protein product [Mus musculus]" 97.69 309 97.64 97.64 0.00e+00 DBJ BAC35641 "unnamed protein product [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAB17666 "UCP2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAB53092 "uncoupling protein homolog [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAC98733 "uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 GB AAD17198 "uncoupling protein 2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAD17199 "uncoupling protein 2 [Mus musculus]" 97.69 309 97.64 97.64 0.00e+00 REF NP_035801 "mitochondrial uncoupling protein 2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 REF NP_062227 "mitochondrial uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 REF XP_006507642 "PREDICTED: mitochondrial uncoupling protein 2 isoform X1 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 REF XP_006982207 "PREDICTED: mitochondrial uncoupling protein 2 [Peromyscus maniculatus bairdii]" 97.69 309 96.96 97.64 0.00e+00 SP P56500 "RecName: Full=Mitochondrial uncoupling protein 2; Short=UCP 2; AltName: Full=Solute carrier family 25 member 8 [Rattus norvegic" 97.69 309 96.96 97.30 0.00e+00 SP P70406 "RecName: Full=Mitochondrial uncoupling protein 2; Short=UCP 2; AltName: Full=Solute carrier family 25 member 8; AltName: Full=U" 97.69 309 97.97 97.97 0.00e+00 stop_ save_ save_UCP2-SL3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UCP2-SL3 _Molecular_mass 32227.426 _Mol_thiol_state . _Details . _Residue_count 303 _Mol_residue_sequence ; MTVKFLGAGTAAAIADLITF PLDTAKVRLQIQGESQGLVR TAASAQYRGVLGTILTMVRT EGPRSLYNGLVAGLQRQMSF ASVRIGLYDSVKQFYTKGSE HAGIGSRLLAGSTTGALAVA VAQPTDVVKVRFQAQARAGG GRRYQSTVEAYKTIAREEGI RGLWKGTSPNVARNAIVNSA ELVTYDLIKCTLLKANLMTD DLPSHFTSAFGAGFSTTVIA SPVDVVKTRYMNSALGQYHS AGHSALTMLRKEGPRAFYKG FMPSFLRLGSWNVVMFVTYE QLKRALMAAYQSREAPFHHH HHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 VAL 4 LYS 5 PHE 6 LEU 7 GLY 8 ALA 9 GLY 10 THR 11 ALA 12 ALA 13 ALA 14 ILE 15 ALA 16 ASP 17 LEU 18 ILE 19 THR 20 PHE 21 PRO 22 LEU 23 ASP 24 THR 25 ALA 26 LYS 27 VAL 28 ARG 29 LEU 30 GLN 31 ILE 32 GLN 33 GLY 34 GLU 35 SER 36 GLN 37 GLY 38 LEU 39 VAL 40 ARG 41 THR 42 ALA 43 ALA 44 SER 45 ALA 46 GLN 47 TYR 48 ARG 49 GLY 50 VAL 51 LEU 52 GLY 53 THR 54 ILE 55 LEU 56 THR 57 MET 58 VAL 59 ARG 60 THR 61 GLU 62 GLY 63 PRO 64 ARG 65 SER 66 LEU 67 TYR 68 ASN 69 GLY 70 LEU 71 VAL 72 ALA 73 GLY 74 LEU 75 GLN 76 ARG 77 GLN 78 MET 79 SER 80 PHE 81 ALA 82 SER 83 VAL 84 ARG 85 ILE 86 GLY 87 LEU 88 TYR 89 ASP 90 SER 91 VAL 92 LYS 93 GLN 94 PHE 95 TYR 96 THR 97 LYS 98 GLY 99 SER 100 GLU 101 HIS 102 ALA 103 GLY 104 ILE 105 GLY 106 SER 107 ARG 108 LEU 109 LEU 110 ALA 111 GLY 112 SER 113 THR 114 THR 115 GLY 116 ALA 117 LEU 118 ALA 119 VAL 120 ALA 121 VAL 122 ALA 123 GLN 124 PRO 125 THR 126 ASP 127 VAL 128 VAL 129 LYS 130 VAL 131 ARG 132 PHE 133 GLN 134 ALA 135 GLN 136 ALA 137 ARG 138 ALA 139 GLY 140 GLY 141 GLY 142 ARG 143 ARG 144 TYR 145 GLN 146 SER 147 THR 148 VAL 149 GLU 150 ALA 151 TYR 152 LYS 153 THR 154 ILE 155 ALA 156 ARG 157 GLU 158 GLU 159 GLY 160 ILE 161 ARG 162 GLY 163 LEU 164 TRP 165 LYS 166 GLY 167 THR 168 SER 169 PRO 170 ASN 171 VAL 172 ALA 173 ARG 174 ASN 175 ALA 176 ILE 177 VAL 178 ASN 179 SER 180 ALA 181 GLU 182 LEU 183 VAL 184 THR 185 TYR 186 ASP 187 LEU 188 ILE 189 LYS 190 CYS 191 THR 192 LEU 193 LEU 194 LYS 195 ALA 196 ASN 197 LEU 198 MET 199 THR 200 ASP 201 ASP 202 LEU 203 PRO 204 SER 205 HIS 206 PHE 207 THR 208 SER 209 ALA 210 PHE 211 GLY 212 ALA 213 GLY 214 PHE 215 SER 216 THR 217 THR 218 VAL 219 ILE 220 ALA 221 SER 222 PRO 223 VAL 224 ASP 225 VAL 226 VAL 227 LYS 228 THR 229 ARG 230 TYR 231 MET 232 ASN 233 SER 234 ALA 235 LEU 236 GLY 237 GLN 238 TYR 239 HIS 240 SER 241 ALA 242 GLY 243 HIS 244 SER 245 ALA 246 LEU 247 THR 248 MET 249 LEU 250 ARG 251 LYS 252 GLU 253 GLY 254 PRO 255 ARG 256 ALA 257 PHE 258 TYR 259 LYS 260 GLY 261 PHE 262 MET 263 PRO 264 SER 265 PHE 266 LEU 267 ARG 268 LEU 269 GLY 270 SER 271 TRP 272 ASN 273 VAL 274 VAL 275 MET 276 PHE 277 VAL 278 THR 279 TYR 280 GLU 281 GLN 282 LEU 283 LYS 284 ARG 285 ALA 286 LEU 287 MET 288 ALA 289 ALA 290 TYR 291 GLN 292 SER 293 ARG 294 GLU 295 ALA 296 PRO 297 PHE 298 HIS 299 HIS 300 HIS 301 HIS 302 HIS 303 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LCK "Structure Of The Mitochondrial Uncoupling Protein 2 Determined By Nmr Molecular Fragment Replacement" 100.00 303 98.02 98.02 0.00e+00 DBJ BAA23383 "uncoupling protein-2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 DBJ BAA28832 "uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 DBJ BAA32532 "uncoupling protein-2 [Mus musculus]" 97.69 309 97.64 97.97 0.00e+00 DBJ BAC29021 "unnamed protein product [Mus musculus]" 97.69 309 97.64 97.64 0.00e+00 DBJ BAC35641 "unnamed protein product [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAB17666 "UCP2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAB53092 "uncoupling protein homolog [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAC98733 "uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 GB AAD17198 "uncoupling protein 2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAD17199 "uncoupling protein 2 [Mus musculus]" 97.69 309 97.64 97.64 0.00e+00 REF NP_035801 "mitochondrial uncoupling protein 2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 REF NP_062227 "mitochondrial uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 REF XP_006507642 "PREDICTED: mitochondrial uncoupling protein 2 isoform X1 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 REF XP_006982207 "PREDICTED: mitochondrial uncoupling protein 2 [Peromyscus maniculatus bairdii]" 97.69 309 96.96 97.64 0.00e+00 SP P56500 "RecName: Full=Mitochondrial uncoupling protein 2; Short=UCP 2; AltName: Full=Solute carrier family 25 member 8 [Rattus norvegic" 97.69 309 96.96 97.30 0.00e+00 SP P70406 "RecName: Full=Mitochondrial uncoupling protein 2; Short=UCP 2; AltName: Full=Solute carrier family 25 member 8; AltName: Full=U" 97.69 309 97.97 97.97 0.00e+00 stop_ save_ save_UCP2-SL4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UCP2-SL4 _Molecular_mass 32227.426 _Mol_thiol_state . _Details . _Residue_count 303 _Mol_residue_sequence ; MTVKFLGAGTAAAIADLITF PLDTAKVRLQIQGESQGLVR TAASAQYRGVLGTILTMVRT EGPRSLYNGLVAGLQRQMSF ASVRIGLYDSVKQFYTKGSE HAGIGSRLLAGSTTGALAVA VAQPTDVVKVRFQAQARAGG GRRYQSTVEAYKTIAREEGI RGLWKGTSPNVARNAIVNSA ELVTYDLIKDTLLKANLMTD DLPSHFTSAFGAGFSTTVIA SPVDVVKTRYMNSALGQYHS AGCSALTMLRKEGPRAFYKG FMPSFLRLGSWNVVMFVTYE QLKRALMAAYQSREAPFHHH HHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 VAL 4 LYS 5 PHE 6 LEU 7 GLY 8 ALA 9 GLY 10 THR 11 ALA 12 ALA 13 ALA 14 ILE 15 ALA 16 ASP 17 LEU 18 ILE 19 THR 20 PHE 21 PRO 22 LEU 23 ASP 24 THR 25 ALA 26 LYS 27 VAL 28 ARG 29 LEU 30 GLN 31 ILE 32 GLN 33 GLY 34 GLU 35 SER 36 GLN 37 GLY 38 LEU 39 VAL 40 ARG 41 THR 42 ALA 43 ALA 44 SER 45 ALA 46 GLN 47 TYR 48 ARG 49 GLY 50 VAL 51 LEU 52 GLY 53 THR 54 ILE 55 LEU 56 THR 57 MET 58 VAL 59 ARG 60 THR 61 GLU 62 GLY 63 PRO 64 ARG 65 SER 66 LEU 67 TYR 68 ASN 69 GLY 70 LEU 71 VAL 72 ALA 73 GLY 74 LEU 75 GLN 76 ARG 77 GLN 78 MET 79 SER 80 PHE 81 ALA 82 SER 83 VAL 84 ARG 85 ILE 86 GLY 87 LEU 88 TYR 89 ASP 90 SER 91 VAL 92 LYS 93 GLN 94 PHE 95 TYR 96 THR 97 LYS 98 GLY 99 SER 100 GLU 101 HIS 102 ALA 103 GLY 104 ILE 105 GLY 106 SER 107 ARG 108 LEU 109 LEU 110 ALA 111 GLY 112 SER 113 THR 114 THR 115 GLY 116 ALA 117 LEU 118 ALA 119 VAL 120 ALA 121 VAL 122 ALA 123 GLN 124 PRO 125 THR 126 ASP 127 VAL 128 VAL 129 LYS 130 VAL 131 ARG 132 PHE 133 GLN 134 ALA 135 GLN 136 ALA 137 ARG 138 ALA 139 GLY 140 GLY 141 GLY 142 ARG 143 ARG 144 TYR 145 GLN 146 SER 147 THR 148 VAL 149 GLU 150 ALA 151 TYR 152 LYS 153 THR 154 ILE 155 ALA 156 ARG 157 GLU 158 GLU 159 GLY 160 ILE 161 ARG 162 GLY 163 LEU 164 TRP 165 LYS 166 GLY 167 THR 168 SER 169 PRO 170 ASN 171 VAL 172 ALA 173 ARG 174 ASN 175 ALA 176 ILE 177 VAL 178 ASN 179 SER 180 ALA 181 GLU 182 LEU 183 VAL 184 THR 185 TYR 186 ASP 187 LEU 188 ILE 189 LYS 190 ASP 191 THR 192 LEU 193 LEU 194 LYS 195 ALA 196 ASN 197 LEU 198 MET 199 THR 200 ASP 201 ASP 202 LEU 203 PRO 204 SER 205 HIS 206 PHE 207 THR 208 SER 209 ALA 210 PHE 211 GLY 212 ALA 213 GLY 214 PHE 215 SER 216 THR 217 THR 218 VAL 219 ILE 220 ALA 221 SER 222 PRO 223 VAL 224 ASP 225 VAL 226 VAL 227 LYS 228 THR 229 ARG 230 TYR 231 MET 232 ASN 233 SER 234 ALA 235 LEU 236 GLY 237 GLN 238 TYR 239 HIS 240 SER 241 ALA 242 GLY 243 CYS 244 SER 245 ALA 246 LEU 247 THR 248 MET 249 LEU 250 ARG 251 LYS 252 GLU 253 GLY 254 PRO 255 ARG 256 ALA 257 PHE 258 TYR 259 LYS 260 GLY 261 PHE 262 MET 263 PRO 264 SER 265 PHE 266 LEU 267 ARG 268 LEU 269 GLY 270 SER 271 TRP 272 ASN 273 VAL 274 VAL 275 MET 276 PHE 277 VAL 278 THR 279 TYR 280 GLU 281 GLN 282 LEU 283 LYS 284 ARG 285 ALA 286 LEU 287 MET 288 ALA 289 ALA 290 TYR 291 GLN 292 SER 293 ARG 294 GLU 295 ALA 296 PRO 297 PHE 298 HIS 299 HIS 300 HIS 301 HIS 302 HIS 303 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LCK "Structure Of The Mitochondrial Uncoupling Protein 2 Determined By Nmr Molecular Fragment Replacement" 100.00 303 98.02 98.02 0.00e+00 DBJ BAA23383 "uncoupling protein-2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 DBJ BAA28832 "uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 DBJ BAA32532 "uncoupling protein-2 [Mus musculus]" 97.69 309 97.64 97.97 0.00e+00 DBJ BAC29021 "unnamed protein product [Mus musculus]" 97.69 309 97.64 97.64 0.00e+00 DBJ BAC35641 "unnamed protein product [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAB17666 "UCP2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAB53092 "uncoupling protein homolog [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAC98733 "uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 GB AAD17198 "uncoupling protein 2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 GB AAD17199 "uncoupling protein 2 [Mus musculus]" 97.69 309 97.64 97.64 0.00e+00 REF NP_035801 "mitochondrial uncoupling protein 2 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 REF NP_062227 "mitochondrial uncoupling protein 2 [Rattus norvegicus]" 97.69 309 96.96 97.30 0.00e+00 REF XP_006507642 "PREDICTED: mitochondrial uncoupling protein 2 isoform X1 [Mus musculus]" 97.69 309 97.97 97.97 0.00e+00 REF XP_006982207 "PREDICTED: mitochondrial uncoupling protein 2 [Peromyscus maniculatus bairdii]" 97.69 309 96.96 97.64 0.00e+00 SP P56500 "RecName: Full=Mitochondrial uncoupling protein 2; Short=UCP 2; AltName: Full=Solute carrier family 25 member 8 [Rattus norvegic" 97.69 309 96.96 97.30 0.00e+00 SP P70406 "RecName: Full=Mitochondrial uncoupling protein 2; Short=UCP 2; AltName: Full=Solute carrier family 25 member 8; AltName: Full=U" 97.69 309 97.97 97.97 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $UCP2 Mouse 10090 Eukaryota Metazoa Mus musculus $UCP2-SL1 Mouse 10090 Eukaryota Metazoa Mus musculus $UCP2-SL2 Mouse 10090 Eukaryota Metazoa Mus musculus $UCP2-SL3 Mouse 10090 Eukaryota Metazoa Mus musculus $UCP2-SL4 Mouse 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $UCP2 'recombinant technology' . Escherichia coli 'Rossetta DE3' pET-21 'The sequence has a C-terminal His6 tag' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UCP2 0.8 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'guanosine diphosphate' 5 mM 'natural abundance' dodecylphosphocholine 150 mM 'natural abundance' cardiolipin 1 mM 'natural abundance' dimyristoyl-phosphatidylcholine 2 mM 'natural abundance' beta-mercatpoethanol 5 mM 'natural abundance' 'potassium phosphate' 30 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'The protein is weakly aligned by DNA nanotube liquid crystal particles' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UCP2 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'guanosine diphosphate' 5 mM 'natural abundance' dodecylphosphocholine 150 mM 'natural abundance' cardiolipin 1 mM 'natural abundance' dimyristoyl-phosphatidylcholine 2 mM 'natural abundance' beta-mercatpoethanol 5 mM 'natural abundance' 'potassium phosphate' 30 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' 'DNA nanotube' 2 w/v 'natural abundance' H2O 95 % 'natural abundance' D20 5 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'spin label at residue position 68 for PRE measurements' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UCP2-SL1 0.8 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'guanosine diphosphate' 5 mM 'natural abundance' dodecylphosphocholine 150 mM 'natural abundance' cardiolipin 1 mM 'natural abundance' dimyristoyl-phosphatidylcholine 2 mM 'natural abundance' beta-mercatpoethanol 5 mM 'natural abundance' 'potassium phosphate' 30 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'spin label at residue position 105 for PRE measurements' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UCP2-SL2 0.8 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'guanosine diphosphate' 5 mM 'natural abundance' dodecylphosphocholine 150 mM 'natural abundance' cardiolipin 1 mM 'natural abundance' dimyristoyl-phosphatidylcholine 2 mM 'natural abundance' beta-mercatpoethanol 5 mM 'natural abundance' 'potassium phosphate' 30 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details 'spin label at residue position 202 for PRE measurements' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UCP2-SL3 0.8 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'guanosine diphosphate' 5 mM 'natural abundance' dodecylphosphocholine 150 mM 'natural abundance' cardiolipin 1 mM 'natural abundance' dimyristoyl-phosphatidylcholine 2 mM 'natural abundance' beta-mercatpoethanol 5 mM 'natural abundance' 'potassium phosphate' 30 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details 'spin label at residue position 255 for PRE measurements' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $UCP2-SL4 0.8 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'guanosine diphosphate' 5 mM 'natural abundance' dodecylphosphocholine 150 mM 'natural abundance' cardiolipin 1 mM 'natural abundance' dimyristoyl-phosphatidylcholine 2 mM 'natural abundance' beta-mercatpoethanol 5 mM 'natural abundance' 'potassium phosphate' 30 mM 'natural abundance' 'sodium chloride' 80 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.26 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'equipped with cryogenic probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_TROSY-HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_(HN,HN)-HMQC-NOESY-TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (HN,HN)-HMQC-NOESY-TROSY' _Sample_label $sample_1 save_ save_3D_J(NH)-scaled_TROSY-HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D J(NH)-scaled TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_J(NH)-scaled_TROSY-HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D J(NH)-scaled TROSY-HNCO' _Sample_label $sample_2 save_ save_3D_quantitative_J(C'Ca)_TROSY-HNCO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D quantitative J(C'Ca) TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_quantitative_J(C'Ca)_TROSY-HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D quantitative J(C'Ca) TROSY-HNCO' _Sample_label $sample_2 save_ save_3D_quantitative_J(C'N)_TROSY-HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D quantitative J(C'N) TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_quantitative_J(C'N)_TROSY-HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D quantitative J(C'N) TROSY-HNCO' _Sample_label $sample_2 save_ save_3D_TROSY-HNCO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_3 save_ save_3D_TROSY-HNCO_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_4 save_ save_3D_TROSY-HNCO_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_5 save_ save_3D_TROSY-HNCO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_6 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 150 . mM pH 6.5 . pH pressure 1 . atm temperature 306 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY-HSQC' '3D TROSY-HNCA' '3D TROSY-HN(CO)CA' '3D TROSY-HNCACB' '3D TROSY-HN(CO)CACB' '3D TROSY-HN(CA)CO' '3D TROSY-HNCO' '3D (HN,HN)-HMQC-NOESY-TROSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name UCP2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 15 3 VAL H H 8.053 . 1 2 15 3 VAL C C 176.453 . 1 3 15 3 VAL CA C 63.979 . 1 4 15 3 VAL CB C 32.507 . 1 5 15 3 VAL N N 123.095 . 1 6 16 4 LYS H H 8.059 . 1 7 16 4 LYS C C 176.841 . 1 8 16 4 LYS CA C 59.762 . 1 9 16 4 LYS CB C 32.751 . 1 10 16 4 LYS N N 123.075 . 1 11 17 5 PHE H H 7.909 . 1 12 17 5 PHE C C 175.443 . 1 13 17 5 PHE CA C 59.915 . 1 14 17 5 PHE CB C 39.659 . 1 15 17 5 PHE N N 118.838 . 1 16 18 6 LEU H H 7.814 . 1 17 18 6 LEU C C 177.195 . 1 18 18 6 LEU CA C 55.385 . 1 19 18 6 LEU CB C 42.905 . 1 20 18 6 LEU N N 119.089 . 1 21 19 7 GLY H H 8.032 . 1 22 19 7 GLY C C 174.967 . 1 23 19 7 GLY CA C 45.518 . 1 24 19 7 GLY N N 108.484 . 1 25 20 8 ALA H H 8.318 . 1 26 20 8 ALA C C 179.405 . 1 27 20 8 ALA CA C 54.531 . 1 28 20 8 ALA CB C 18.995 . 1 29 20 8 ALA N N 124.208 . 1 30 21 9 GLY H H 8.523 . 1 31 21 9 GLY C C 175.676 . 1 32 21 9 GLY CA C 46.742 . 1 33 21 9 GLY N N 108.209 . 1 34 22 10 THR H H 7.881 . 1 35 22 10 THR C C 175.661 . 1 36 22 10 THR CA C 66.401 . 1 37 22 10 THR CB C 68.866 . 1 38 22 10 THR N N 119.542 . 1 39 23 11 ALA H H 8.263 . 1 40 23 11 ALA C C 178.628 . 1 41 23 11 ALA CA C 55.480 . 1 42 23 11 ALA CB C 18.218 . 1 43 23 11 ALA N N 123.431 . 1 44 24 12 ALA H H 7.827 . 1 45 24 12 ALA C C 179.172 . 1 46 24 12 ALA CA C 55.038 . 1 47 24 12 ALA CB C 18.385 . 1 48 24 12 ALA N N 119.939 . 1 49 25 13 CYS H H 7.677 . 1 50 25 13 CYS C C 176.220 . 1 51 25 13 CYS CA C 58.596 . 1 52 25 13 CYS CB C 41.771 . 1 53 25 13 CYS N N 116.736 . 1 54 26 14 ILE H H 7.899 . 1 55 26 14 ILE C C 176.915 . 1 56 26 14 ILE CA C 64.858 . 1 57 26 14 ILE CB C 38.090 . 1 58 26 14 ILE N N 119.154 . 1 59 27 15 ALA H H 7.909 . 1 60 27 15 ALA C C 179.016 . 1 61 27 15 ALA CA C 55.367 . 1 62 27 15 ALA CB C 18.385 . 1 63 27 15 ALA N N 121.116 . 1 64 28 16 ASP H H 7.554 . 1 65 28 16 ASP C C 177.643 . 1 66 28 16 ASP CA C 56.453 . 1 67 28 16 ASP CB C 41.128 . 1 68 28 16 ASP N N 116.829 . 1 69 29 17 LEU H H 7.732 . 1 70 29 17 LEU C C 178.628 . 1 71 29 17 LEU CA C 57.144 . 1 72 29 17 LEU CB C 43.146 . 1 73 29 17 LEU N N 119.672 . 1 74 30 18 ILE H H 7.977 . 1 75 30 18 ILE C C 176.456 . 1 76 30 18 ILE CA C 60.539 . 1 77 30 18 ILE CB C 38.506 . 1 78 30 18 ILE N N 113.629 . 1 79 31 19 THR H H 7.738 . 1 80 31 19 THR C C 174.045 . 1 81 31 19 THR CA C 62.495 . 1 82 31 19 THR CB C 69.898 . 1 83 31 19 THR N N 113.314 . 1 84 32 20 PHE H H 7.609 . 1 85 32 20 PHE CA C 56.349 . 1 86 32 20 PHE CB C 39.148 . 1 87 32 20 PHE N N 123.409 . 1 88 33 21 PRO C C 177.831 . 1 89 33 21 PRO CA C 62.656 . 1 90 33 21 PRO CB C 34.762 . 1 91 34 22 LEU H H 8.659 . 1 92 34 22 LEU C C 176.298 . 1 93 34 22 LEU CA C 55.545 . 1 94 34 22 LEU CB C 43.287 . 1 95 34 22 LEU N N 124.503 . 1 96 35 23 ASP H H 8.236 . 1 97 35 23 ASP C C 177.152 . 1 98 35 23 ASP CA C 54.326 . 1 99 35 23 ASP CB C 41.154 . 1 100 35 23 ASP N N 121.663 . 1 101 36 24 THR H H 8.127 . 1 102 36 24 THR C C 177.088 . 1 103 36 24 THR CA C 64.868 . 1 104 36 24 THR CB C 69.053 . 1 105 36 24 THR N N 115.977 . 1 106 37 25 ALA H H 8.042 . 1 107 37 25 ALA C C 179.143 . 1 108 37 25 ALA CA C 55.234 . 1 109 37 25 ALA CB C 18.735 . 1 110 37 25 ALA N N 125.063 . 1 111 38 26 LYS H H 7.759 . 1 112 38 26 LYS C C 178.239 . 1 113 38 26 LYS CA C 58.861 . 1 114 38 26 LYS CB C 32.724 . 1 115 38 26 LYS N N 117.827 . 1 116 39 27 VAL H H 7.554 . 1 117 39 27 VAL C C 177.892 . 1 118 39 27 VAL CA C 65.478 . 1 119 39 27 VAL CB C 34.675 . 1 120 39 27 VAL N N 118.955 . 1 121 40 28 ARG H H 7.794 . 1 122 40 28 ARG C C 178.391 . 1 123 40 28 ARG CA C 59.648 . 1 124 40 28 ARG CB C 29.933 . 1 125 40 28 ARG N N 119.922 . 1 126 41 29 LEU H H 7.534 . 1 127 41 29 LEU CA C 54.749 . 1 128 41 29 LEU CB C 40.429 . 1 129 41 29 LEU N N 118.720 . 1 130 49 37 GLY C C 174.779 . 1 131 50 38 LEU H H 8.113 . 1 132 50 38 LEU C C 178.482 . 1 133 50 38 LEU CA C 56.765 . 1 134 50 38 LEU CB C 41.673 . 1 135 50 38 LEU N N 123.029 . 1 136 51 39 VAL H H 7.974 . 1 137 51 39 VAL C C 178.032 . 1 138 51 39 VAL CA C 66.037 . 1 139 51 39 VAL CB C 30.763 . 1 140 51 39 VAL N N 118.714 . 1 141 52 40 ARG H H 8.231 . 1 142 52 40 ARG CA C 59.167 . 1 143 52 40 ARG CB C 29.437 . 1 144 52 40 ARG N N 121.569 . 1 145 53 41 THR H H 7.948 . 1 146 53 41 THR C C 175.108 . 1 147 54 42 ALA H H 7.792 . 1 148 54 42 ALA C C 174.922 . 1 149 54 42 ALA CA C 50.101 . 1 150 54 42 ALA CB C 18.950 . 1 151 54 42 ALA N N 121.823 . 1 152 55 43 ALA H H 7.333 . 1 153 55 43 ALA C C 178.007 . 1 154 55 43 ALA CA C 53.458 . 1 155 55 43 ALA CB C 18.809 . 1 156 55 43 ALA N N 113.986 . 1 157 56 44 SER H H 7.786 . 1 158 56 44 SER C C 174.899 . 1 159 56 44 SER CA C 59.520 . 1 160 56 44 SER CB C 64.051 . 1 161 56 44 SER N N 125.425 . 1 162 57 45 ALA H H 8.018 . 1 163 57 45 ALA CA C 53.783 . 1 164 57 45 ALA CB C 17.599 . 1 165 57 45 ALA N N 118.183 . 1 166 59 47 TYR C C 177.662 . 1 167 60 48 ARG H H 8.311 . 1 168 60 48 ARG C C 177.956 . 1 169 60 48 ARG CA C 58.711 . 1 170 60 48 ARG CB C 30.659 . 1 171 60 48 ARG N N 122.798 . 1 172 61 49 GLY H H 8.182 . 1 173 61 49 GLY C C 176.064 . 1 174 61 49 GLY CA C 46.592 . 1 175 61 49 GLY N N 109.033 . 1 176 62 50 VAL H H 8.105 . 1 177 62 50 VAL C C 177.540 . 1 178 62 50 VAL CA C 66.277 . 1 179 62 50 VAL CB C 32.355 . 1 180 62 50 VAL N N 123.218 . 1 181 63 51 LEU H H 8.182 . 1 182 63 51 LEU C C 178.628 . 1 183 63 51 LEU CA C 58.366 . 1 184 63 51 LEU CB C 41.675 . 1 185 63 51 LEU N N 120.295 . 1 186 64 52 GLY H H 8.102 . 1 187 64 52 GLY C C 176.531 . 1 188 64 52 GLY CA C 47.765 . 1 189 64 52 GLY N N 106.013 . 1 190 65 53 THR H H 7.854 . 1 191 65 53 THR C C 176.453 . 1 192 65 53 THR CA C 67.140 . 1 193 65 53 THR CB C 69.161 . 1 194 65 53 THR N N 120.842 . 1 195 66 54 ILE H H 8.018 . 1 196 66 54 ILE C C 177.307 . 1 197 66 54 ILE CA C 65.832 . 1 198 66 54 ILE CB C 38.090 . 1 199 66 54 ILE N N 122.676 . 1 200 67 55 LEU H H 8.291 . 1 201 67 55 LEU C C 178.706 . 1 202 67 55 LEU CA C 58.491 . 1 203 67 55 LEU CB C 41.387 . 1 204 67 55 LEU N N 119.838 . 1 205 68 56 THR H H 7.963 . 1 206 68 56 THR C C 176.764 . 1 207 68 56 THR CA C 67.040 . 1 208 68 56 THR CB C 69.403 . 1 209 68 56 THR N N 115.362 . 1 210 69 57 MET H H 7.977 . 1 211 69 57 MET C C 177.153 . 1 212 69 57 MET CA C 59.710 . 1 213 69 57 MET CB C 33.111 . 1 214 69 57 MET N N 122.960 . 1 215 70 58 VAL H H 7.751 . 1 216 70 58 VAL C C 176.841 . 1 217 70 58 VAL CA C 66.277 . 1 218 70 58 VAL CB C 31.362 . 1 219 70 58 VAL N N 119.558 . 1 220 71 59 ARG H H 7.827 . 1 221 71 59 ARG C C 177.152 . 1 222 71 59 ARG CA C 58.761 . 1 223 71 59 ARG CB C 30.656 . 1 224 71 59 ARG N N 118.002 . 1 225 72 60 THR H H 7.745 . 1 226 72 60 THR C C 175.288 . 1 227 72 60 THR CA C 64.194 . 1 228 72 60 THR CB C 70.312 . 1 229 72 60 THR N N 111.410 . 1 230 73 61 GLU H H 8.263 . 1 231 73 61 GLU C C 177.696 . 1 232 73 61 GLU CA C 57.363 . 1 233 73 61 GLU CB C 30.927 . 1 234 73 61 GLU N N 120.577 . 1 235 74 62 GLY H H 7.841 . 1 236 74 62 GLY CA C 45.593 . 1 237 74 62 GLY N N 108.209 . 1 238 75 63 PRO C C 177.152 . 1 239 75 63 PRO CA C 65.652 . 1 240 75 63 PRO CB C 32.294 . 1 241 76 64 ARG H H 8.427 . 1 242 76 64 ARG C C 177.696 . 1 243 76 64 ARG CA C 59.785 . 1 244 76 64 ARG CB C 29.671 . 1 245 76 64 ARG N N 118.553 . 1 246 77 65 SER H H 7.963 . 1 247 77 65 SER C C 177.230 . 1 248 77 65 SER CA C 61.318 . 1 249 77 65 SER CB C 63.281 . 1 250 77 65 SER N N 115.323 . 1 251 78 66 LEU H H 7.595 . 1 252 78 66 LEU C C 177.696 . 1 253 78 66 LEU CA C 57.792 . 1 254 78 66 LEU CB C 42.202 . 1 255 78 66 LEU N N 122.598 . 1 256 79 67 TYR H H 7.868 . 1 257 79 67 TYR C C 176.142 . 1 258 79 67 TYR CA C 60.792 . 1 259 79 67 TYR CB C 38.687 . 1 260 79 67 TYR N N 119.276 . 1 261 80 68 ASN H H 8.374 . 1 262 80 68 ASN C C 178.472 . 1 263 80 68 ASN CA C 53.024 . 1 264 80 68 ASN CB C 37.946 . 1 265 80 68 ASN N N 117.249 . 1 266 81 69 GLY H H 8.086 . 1 267 81 69 GLY C C 175.521 . 1 268 81 69 GLY CA C 46.266 . 1 269 81 69 GLY N N 108.575 . 1 270 82 70 LEU H H 7.991 . 1 271 82 70 LEU C C 178.239 . 1 272 82 70 LEU CA C 58.217 . 1 273 82 70 LEU CB C 42.351 . 1 274 82 70 LEU N N 124.326 . 1 275 83 71 VAL H H 8.004 . 1 276 83 71 VAL C C 177.851 . 1 277 83 71 VAL CA C 64.113 . 1 278 83 71 VAL CB C 31.924 . 1 279 83 71 VAL N N 117.727 . 1 280 84 72 ALA H H 7.677 . 1 281 84 72 ALA C C 180.570 . 1 282 84 72 ALA CA C 55.031 . 1 283 84 72 ALA CB C 18.286 . 1 284 84 72 ALA N N 121.414 . 1 285 85 73 GLY H H 7.963 . 1 286 85 73 GLY C C 175.521 . 1 287 85 73 GLY CA C 47.191 . 1 288 85 73 GLY N N 106.471 . 1 289 86 74 LEU H H 8.100 . 1 290 86 74 LEU C C 178.239 . 1 291 86 74 LEU CA C 57.493 . 1 292 86 74 LEU CB C 42.202 . 1 293 86 74 LEU N N 122.326 . 1 294 87 75 GLN H H 8.004 . 1 295 87 75 GLN C C 177.340 . 1 296 87 75 GLN CA C 57.787 . 1 297 87 75 GLN CB C 28.942 . 1 298 87 75 GLN N N 117.736 . 1 299 88 76 ARG H H 7.568 . 1 300 88 76 ARG C C 177.930 . 1 301 88 76 ARG CA C 58.062 . 1 302 88 76 ARG CB C 30.774 . 1 303 88 76 ARG N N 118.107 . 1 304 89 77 GLN H H 7.827 . 1 305 89 77 GLN C C 177.375 . 1 306 89 77 GLN CA C 56.838 . 1 307 89 77 GLN CB C 29.006 . 1 308 89 77 GLN N N 117.921 . 1 309 90 78 MET H H 7.963 . 1 310 90 78 MET C C 176.365 . 1 311 90 78 MET CA C 56.339 . 1 312 90 78 MET CB C 33.444 . 1 313 90 78 MET N N 118.378 . 1 314 91 79 SER H H 7.868 . 1 315 91 79 SER C C 175.899 . 1 316 91 79 SER CA C 58.621 . 1 317 91 79 SER CB C 64.337 . 1 318 91 79 SER N N 115.089 . 1 319 92 80 PHE H H 8.332 . 1 320 92 80 PHE C C 177.375 . 1 321 92 80 PHE CA C 59.095 . 1 322 92 80 PHE CB C 38.937 . 1 323 92 80 PHE N N 122.852 . 1 324 93 81 ALA H H 8.223 . 1 325 93 81 ALA C C 178.628 . 1 326 93 81 ALA CA C 54.881 . 1 327 93 81 ALA CB C 17.902 . 1 328 93 81 ALA N N 123.258 . 1 329 94 82 SER H H 7.977 . 1 330 94 82 SER C C 176.831 . 1 331 94 82 SER CA C 60.319 . 1 332 94 82 SER CB C 63.611 . 1 333 94 82 SER N N 112.886 . 1 334 95 83 VAL H H 7.581 . 1 335 95 83 VAL C C 176.220 . 1 336 95 83 VAL CA C 64.629 . 1 337 95 83 VAL CB C 31.328 . 1 338 95 83 VAL N N 121.854 . 1 339 96 84 ARG H H 7.936 . 1 340 96 84 ARG C C 176.814 . 1 341 96 84 ARG CA C 58.636 . 1 342 96 84 ARG CB C 30.672 . 1 343 96 84 ARG N N 121.329 . 1 344 97 85 ILE H H 7.802 . 1 345 97 85 ILE C C 177.152 . 1 346 97 85 ILE CA C 63.296 . 1 347 97 85 ILE CB C 38.757 . 1 348 97 85 ILE N N 119.194 . 1 349 98 86 GLY H H 8.127 . 1 350 98 86 GLY C C 176.064 . 1 351 98 86 GLY CA C 46.941 . 1 352 98 86 GLY N N 109.857 . 1 353 99 87 LEU H H 8.223 . 1 354 99 87 LEU C C 177.856 . 1 355 99 87 LEU CA C 58.264 . 1 356 99 87 LEU CB C 42.488 . 1 357 99 87 LEU N N 123.258 . 1 358 100 88 TYR H H 8.207 . 1 359 100 88 TYR C C 176.997 . 1 360 100 88 TYR CA C 61.592 . 1 361 100 88 TYR CB C 38.809 . 1 362 100 88 TYR N N 119.770 . 1 363 101 89 ASP H H 8.401 . 1 364 101 89 ASP C C 178.939 . 1 365 101 89 ASP CA C 57.797 . 1 366 101 89 ASP CB C 40.498 . 1 367 101 89 ASP N N 118.460 . 1 368 102 90 SER H H 7.854 . 1 369 102 90 SER C C 176.005 . 1 370 102 90 SER CA C 62.791 . 1 371 102 90 SER CB C 64.211 . 1 372 102 90 SER N N 116.022 . 1 373 103 91 VAL H H 7.926 . 1 374 103 91 VAL C C 177.307 . 1 375 103 91 VAL CA C 66.510 . 1 376 103 91 VAL CB C 31.965 . 1 377 103 91 VAL N N 120.844 . 1 378 104 92 LYS H H 8.127 . 1 379 104 92 LYS C C 178.861 . 1 380 104 92 LYS CA C 60.184 . 1 381 104 92 LYS CB C 31.979 . 1 382 104 92 LYS N N 120.468 . 1 383 105 93 GLN H H 7.841 . 1 384 105 93 GLN C C 177.540 . 1 385 105 93 GLN CA C 58.786 . 1 386 105 93 GLN CB C 28.377 . 1 387 105 93 GLN N N 118.386 . 1 388 106 94 PHE H H 7.772 . 1 389 106 94 PHE C C 176.531 . 1 390 106 94 PHE CA C 60.593 . 1 391 106 94 PHE CB C 39.459 . 1 392 106 94 PHE N N 119.471 . 1 393 107 95 TYR H H 8.045 . 1 394 107 95 TYR C C 176.220 . 1 395 107 95 TYR CA C 60.543 . 1 396 107 95 TYR CB C 38.819 . 1 397 107 95 TYR N N 118.288 . 1 398 108 96 THR H H 7.868 . 1 399 108 96 THR C C 175.288 . 1 400 108 96 THR CA C 64.094 . 1 401 108 96 THR CB C 69.986 . 1 402 108 96 THR N N 113.383 . 1 403 113 101 HIS H H 7.968 . 1 404 113 101 HIS C C 173.413 . 1 405 114 102 ALA H H 8.433 . 1 406 114 102 ALA C C 177.851 . 1 407 114 102 ALA CA C 53.283 . 1 408 114 102 ALA CB C 19.362 . 1 409 114 102 ALA N N 119.456 . 1 410 115 103 GLY H H 8.250 . 1 411 115 103 GLY C C 174.822 . 1 412 115 103 GLY CA C 45.968 . 1 413 115 103 GLY N N 108.484 . 1 414 116 104 ILE H H 8.127 . 1 415 116 104 ILE C C 176.841 . 1 416 116 104 ILE CA C 63.160 . 1 417 116 104 ILE CB C 38.853 . 1 418 116 104 ILE N N 121.139 . 1 419 117 105 GLY H H 8.509 . 1 420 117 105 GLY C C 174.588 . 1 421 117 105 GLY CA C 46.791 . 1 422 117 105 GLY N N 110.863 . 1 423 118 106 SER H H 7.991 . 1 424 118 106 SER C C 175.754 . 1 425 118 106 SER CA C 60.319 . 1 426 118 106 SER CB C 63.864 . 1 427 118 106 SER N N 116.069 . 1 428 119 107 ARG H H 7.963 . 1 429 119 107 ARG C C 178.228 . 1 430 119 107 ARG CA C 57.787 . 1 431 119 107 ARG CB C 30.549 . 1 432 119 107 ARG N N 122.134 . 1 433 120 108 LEU H H 7.914 . 1 434 120 108 LEU C C 177.230 . 1 435 120 108 LEU CA C 57.967 . 1 436 120 108 LEU CB C 42.146 . 1 437 120 108 LEU N N 120.403 . 1 438 121 109 LEU H H 7.718 . 1 439 121 109 LEU C C 177.152 . 1 440 121 109 LEU CA C 55.495 . 1 441 121 109 LEU CB C 42.238 . 1 442 121 109 LEU N N 118.960 . 1 443 122 110 ALA H H 7.745 . 1 444 122 110 ALA C C 178.317 . 1 445 122 110 ALA CA C 53.358 . 1 446 122 110 ALA CB C 19.218 . 1 447 122 110 ALA N N 123.063 . 1 448 123 111 GLY H H 8.113 . 1 449 123 111 GLY C C 176.912 . 1 450 123 111 GLY CA C 45.943 . 1 451 123 111 GLY N N 107.843 . 1 452 124 112 SER H H 8.109 . 1 453 124 112 SER C C 175.574 . 1 454 124 112 SER CA C 59.145 . 1 455 124 112 SER CB C 64.211 . 1 456 124 112 SER N N 116.105 . 1 457 125 113 THR H H 8.086 . 1 458 125 113 THR C C 176.055 . 1 459 125 113 THR CA C 66.921 . 1 460 125 113 THR CB C 69.682 . 1 461 125 113 THR N N 116.069 . 1 462 126 114 THR H H 7.977 . 1 463 126 114 THR C C 177.443 . 1 464 126 114 THR CA C 65.285 . 1 465 126 114 THR CB C 68.364 . 1 466 126 114 THR N N 115.439 . 1 467 127 115 GLY H H 8.168 . 1 468 127 115 GLY C C 174.215 . 1 469 127 115 GLY CA C 46.117 . 1 470 127 115 GLY N N 115.453 . 1 471 128 116 ALA H H 7.919 . 1 472 128 116 ALA C C 178.162 . 1 473 128 116 ALA CA C 53.349 . 1 474 128 116 ALA CB C 19.099 . 1 475 128 116 ALA N N 123.952 . 1 476 129 117 LEU H H 7.936 . 1 477 129 117 LEU C C 177.949 . 1 478 129 117 LEU CA C 56.019 . 1 479 129 117 LEU CB C 42.340 . 1 480 129 117 LEU N N 120.025 . 1 481 130 118 ALA H H 7.868 . 1 482 130 118 ALA C C 177.929 . 1 483 130 118 ALA CA C 53.283 . 1 484 130 118 ALA CB C 18.964 . 1 485 130 118 ALA N N 123.402 . 1 486 131 119 VAL H H 7.636 . 1 487 131 119 VAL C C 176.025 . 1 488 131 119 VAL CA C 63.180 . 1 489 131 119 VAL CB C 32.898 . 1 490 131 119 VAL N N 118.111 . 1 491 132 120 ALA H H 7.911 . 1 492 132 120 ALA C C 179.008 . 1 493 132 120 ALA CA C 53.707 . 1 494 132 120 ALA CB C 19.150 . 1 495 132 120 ALA N N 124.047 . 1 496 133 121 VAL H H 7.094 . 1 497 133 121 VAL C C 175.527 . 1 498 133 121 VAL CA C 64.115 . 1 499 133 121 VAL CB C 31.832 . 1 500 133 121 VAL N N 113.349 . 1 501 134 122 ALA H H 7.586 . 1 502 134 122 ALA CA C 55.493 . 1 503 134 122 ALA N N 123.224 . 1 504 136 124 PRO C C 177.074 . 1 505 137 125 THR H H 7.963 . 1 506 137 125 THR C C 174.485 . 1 507 137 125 THR CA C 64.496 . 1 508 137 125 THR CB C 69.997 . 1 509 137 125 THR N N 113.281 . 1 510 138 126 ASP H H 8.094 . 1 511 138 126 ASP C C 178.458 . 1 512 138 126 ASP CA C 56.776 . 1 513 138 126 ASP CB C 41.023 . 1 514 138 126 ASP N N 122.770 . 1 515 139 127 VAL H H 7.753 . 1 516 139 127 VAL C C 177.502 . 1 517 139 127 VAL CA C 66.455 . 1 518 139 127 VAL CB C 32.804 . 1 519 139 127 VAL N N 119.931 . 1 520 140 128 VAL H H 8.295 . 1 521 140 128 VAL C C 176.232 . 1 522 140 128 VAL CA C 66.770 . 1 523 140 128 VAL CB C 32.086 . 1 524 140 128 VAL N N 120.539 . 1 525 141 129 LYS H H 7.698 . 1 526 141 129 LYS C C 176.120 . 1 527 141 129 LYS CA C 55.991 . 1 528 141 129 LYS CB C 31.712 . 1 529 141 129 LYS N N 120.122 . 1 530 142 130 VAL H H 7.772 . 1 531 142 130 VAL CA C 63.230 . 1 532 142 130 VAL N N 120.104 . 1 533 143 131 ARG H H 7.999 . 1 534 143 131 ARG C C 178.401 . 1 535 144 132 PHE H H 8.395 . 1 536 144 132 PHE C C 177.856 . 1 537 144 132 PHE CA C 61.438 . 1 538 144 132 PHE N N 120.445 . 1 539 145 133 GLN H H 8.094 . 1 540 145 133 GLN C C 174.844 . 1 541 145 133 GLN CA C 56.414 . 1 542 145 133 GLN CB C 30.721 . 1 543 145 133 GLN N N 124.180 . 1 544 146 134 ALA H H 7.939 . 1 545 146 134 ALA C C 177.929 . 1 546 146 134 ALA CA C 53.483 . 1 547 146 134 ALA CB C 18.431 . 1 548 146 134 ALA N N 120.452 . 1 549 147 135 GLN H H 8.072 . 1 550 147 135 GLN C C 176.029 . 1 551 147 135 GLN CA C 56.339 . 1 552 147 135 GLN CB C 29.444 . 1 553 147 135 GLN N N 119.388 . 1 554 148 136 ALA H H 8.055 . 1 555 148 136 ALA C C 177.766 . 1 556 148 136 ALA CA C 53.108 . 1 557 148 136 ALA CB C 19.151 . 1 558 148 136 ALA N N 125.199 . 1 559 149 137 ARG H H 8.018 . 1 560 149 137 ARG CA C 56.414 . 1 561 149 137 ARG CB C 30.749 . 1 562 149 137 ARG N N 120.208 . 1 563 159 147 THR C C 175.928 . 1 564 160 148 VAL H H 8.073 . 1 565 160 148 VAL C C 177.749 . 1 566 160 148 VAL CA C 64.126 . 1 567 160 148 VAL CB C 31.343 . 1 568 160 148 VAL N N 118.321 . 1 569 161 149 GLU H H 8.204 . 1 570 161 149 GLU C C 178.783 . 1 571 161 149 GLU CA C 59.550 . 1 572 161 149 GLU CB C 29.597 . 1 573 161 149 GLU N N 122.379 . 1 574 162 150 ALA H H 7.786 . 1 575 162 150 ALA C C 179.948 . 1 576 162 150 ALA CA C 55.181 . 1 577 162 150 ALA CB C 18.154 . 1 578 162 150 ALA N N 122.845 . 1 579 163 151 TYR H H 7.922 . 1 580 163 151 TYR C C 177.273 . 1 581 163 151 TYR CA C 61.068 . 1 582 163 151 TYR CB C 37.898 . 1 583 163 151 TYR N N 118.902 . 1 584 164 152 LYS H H 8.223 . 1 585 164 152 LYS C C 178.239 . 1 586 164 152 LYS CA C 60.309 . 1 587 164 152 LYS CB C 32.504 . 1 588 164 152 LYS N N 119.939 . 1 589 165 153 THR H H 7.745 . 1 590 165 153 THR C C 175.676 . 1 591 165 153 THR CA C 66.516 . 1 592 165 153 THR CB C 69.367 . 1 593 165 153 THR N N 115.262 . 1 594 166 154 ILE H H 7.540 . 1 595 166 154 ILE C C 177.307 . 1 596 166 154 ILE CA C 64.634 . 1 597 166 154 ILE CB C 38.896 . 1 598 166 154 ILE N N 121.571 . 1 599 167 155 ALA H H 8.059 . 1 600 167 155 ALA C C 178.395 . 1 601 167 155 ALA CA C 54.656 . 1 602 167 155 ALA CB C 18.486 . 1 603 167 155 ALA N N 121.983 . 1 604 168 156 ARG H H 7.690 . 1 605 168 156 ARG C C 177.307 . 1 606 168 156 ARG CA C 58.486 . 1 607 168 156 ARG CB C 30.930 . 1 608 168 156 ARG N N 116.369 . 1 609 169 157 GLU H H 8.045 . 1 610 169 157 GLU C C 177.696 . 1 611 169 157 GLU CA C 58.212 . 1 612 169 157 GLU CB C 30.357 . 1 613 169 157 GLU N N 118.667 . 1 614 170 158 GLU H H 8.550 . 1 615 170 158 GLU C C 177.878 . 1 616 170 158 GLU CA C 57.363 . 1 617 170 158 GLU CB C 31.277 . 1 618 170 158 GLU N N 118.202 . 1 619 171 159 GLY H H 7.881 . 1 620 171 159 GLY C C 174.433 . 1 621 171 159 GLY CA C 45.193 . 1 622 171 159 GLY N N 108.941 . 1 623 172 160 ILE H H 8.550 . 1 624 172 160 ILE C C 176.997 . 1 625 172 160 ILE CA C 63.810 . 1 626 172 160 ILE CB C 38.516 . 1 627 172 160 ILE N N 120.842 . 1 628 173 161 ARG H H 8.277 . 1 629 173 161 ARG C C 178.084 . 1 630 173 161 ARG CA C 58.711 . 1 631 173 161 ARG CB C 29.796 . 1 632 173 161 ARG N N 119.480 . 1 633 174 162 GLY H H 7.690 . 1 634 174 162 GLY C C 175.210 . 1 635 174 162 GLY CA C 46.767 . 1 636 174 162 GLY N N 106.379 . 1 637 175 163 LEU H H 7.554 . 1 638 175 163 LEU C C 177.971 . 1 639 175 163 LEU CA C 57.104 . 1 640 175 163 LEU CB C 42.559 . 1 641 175 163 LEU N N 120.664 . 1 642 176 164 TRP H H 7.499 . 1 643 176 164 TRP C C 176.987 . 1 644 176 164 TRP CA C 57.672 . 1 645 176 164 TRP CB C 29.796 . 1 646 176 164 TRP N N 117.031 . 1 647 177 165 LYS H H 7.595 . 1 648 177 165 LYS C C 177.152 . 1 649 177 165 LYS CA C 57.712 . 1 650 177 165 LYS CB C 32.890 . 1 651 177 165 LYS N N 120.567 . 1 652 178 166 GLY H H 7.881 . 1 653 178 166 GLY C C 174.045 . 1 654 178 166 GLY CA C 45.893 . 1 655 178 166 GLY N N 108.667 . 1 656 179 167 THR H H 7.622 . 1 657 179 167 THR C C 175.192 . 1 658 179 167 THR CA C 66.521 . 1 659 179 167 THR CB C 70.079 . 1 660 179 167 THR N N 115.080 . 1 661 180 168 SER H H 8.195 . 1 662 180 168 SER CA C 63.123 . 1 663 180 168 SER CB C 62.045 . 1 664 180 168 SER N N 117.754 . 1 665 182 170 ASN C C 177.348 . 1 666 183 171 VAL H H 7.861 . 1 667 183 171 VAL C C 176.944 . 1 668 183 171 VAL CA C 65.244 . 1 669 183 171 VAL CB C 32.508 . 1 670 183 171 VAL N N 118.118 . 1 671 184 172 ALA H H 8.097 . 1 672 184 172 ALA C C 178.317 . 1 673 184 172 ALA CA C 55.339 . 1 674 184 172 ALA CB C 28.230 . 1 675 184 172 ALA N N 122.284 . 1 676 185 173 ARG H H 7.611 . 1 677 185 173 ARG C C 177.527 . 1 678 185 173 ARG CA C 59.543 . 1 679 185 173 ARG CB C 29.767 . 1 680 185 173 ARG N N 117.321 . 1 681 186 174 ASN H H 8.048 . 1 682 186 174 ASN C C 176.599 . 1 683 186 174 ASN CA C 56.659 . 1 684 186 174 ASN CB C 39.454 . 1 685 186 174 ASN N N 117.294 . 1 686 187 175 ALA H H 7.322 . 1 687 187 175 ALA C C 178.713 . 1 688 187 175 ALA CA C 55.520 . 1 689 187 175 ALA CB C 18.097 . 1 690 187 175 ALA N N 121.003 . 1 691 188 176 ILE H H 7.779 . 1 692 188 176 ILE C C 176.634 . 1 693 188 176 ILE CA C 64.225 . 1 694 188 176 ILE CB C 37.658 . 1 695 188 176 ILE N N 119.319 . 1 696 189 177 VAL H H 7.776 . 1 697 189 177 VAL C C 177.529 . 1 698 189 177 VAL CA C 65.562 . 1 699 189 177 VAL CB C 31.407 . 1 700 189 177 VAL N N 117.265 . 1 701 190 178 ASN H H 7.800 . 1 702 190 178 ASN C C 176.476 . 1 703 190 178 ASN CA C 56.813 . 1 704 190 178 ASN CB C 38.268 . 1 705 190 178 ASN N N 118.736 . 1 706 191 179 CYS H H 7.784 . 1 707 191 179 CYS C C 175.831 . 1 708 191 179 CYS CA C 60.293 . 1 709 191 179 CYS CB C 41.566 . 1 710 191 179 CYS N N 120.152 . 1 711 192 180 ALA H H 8.141 . 1 712 192 180 ALA C C 178.395 . 1 713 192 180 ALA CA C 55.280 . 1 714 192 180 ALA CB C 18.008 . 1 715 192 180 ALA N N 121.963 . 1 716 193 181 GLU H H 7.595 . 1 717 193 181 GLU C C 176.764 . 1 718 193 181 GLU CA C 58.262 . 1 719 193 181 GLU CB C 29.342 . 1 720 193 181 GLU N N 114.548 . 1 721 194 182 LEU H H 7.459 . 1 722 194 182 LEU C C 176.904 . 1 723 194 182 LEU CA C 55.695 . 1 724 194 182 LEU CB C 41.655 . 1 725 194 182 LEU N N 117.659 . 1 726 195 183 VAL H H 7.363 . 1 727 195 183 VAL C C 177.150 . 1 728 195 183 VAL CA C 64.054 . 1 729 195 183 VAL CB C 31.079 . 1 730 195 183 VAL N N 117.842 . 1 731 196 184 THR H H 7.940 . 1 732 196 184 THR C C 175.055 . 1 733 196 184 THR CA C 65.500 . 1 734 196 184 THR CB C 69.490 . 1 735 196 184 THR N N 122.439 . 1 736 197 185 TYR H H 9.123 . 1 737 197 185 TYR C C 177.152 . 1 738 197 185 TYR CA C 61.892 . 1 739 197 185 TYR CB C 38.085 . 1 740 197 185 TYR N N 122.430 . 1 741 198 186 ASP H H 8.263 . 1 742 198 186 ASP C C 177.696 . 1 743 198 186 ASP CA C 57.822 . 1 744 198 186 ASP CB C 40.500 . 1 745 198 186 ASP N N 117.750 . 1 746 199 187 LEU H H 7.636 . 1 747 199 187 LEU C C 180.104 . 1 748 199 187 LEU CA C 58.092 . 1 749 199 187 LEU CB C 42.559 . 1 750 199 187 LEU N N 120.698 . 1 751 200 188 ILE H H 7.718 . 1 752 200 188 ILE C C 176.919 . 1 753 200 188 ILE CA C 65.482 . 1 754 200 188 ILE CB C 37.949 . 1 755 200 188 ILE N N 121.136 . 1 756 201 189 LYS H H 8.291 . 1 757 201 189 LYS C C 177.696 . 1 758 201 189 LYS CA C 60.683 . 1 759 201 189 LYS CB C 31.809 . 1 760 201 189 LYS N N 120.587 . 1 761 202 190 ASP H H 8.182 . 1 762 202 190 ASP C C 178.395 . 1 763 202 190 ASP CA C 57.672 . 1 764 202 190 ASP CB C 41.355 . 1 765 202 190 ASP N N 117.936 . 1 766 203 191 THR H H 7.690 . 1 767 203 191 THR CA C 61.190 . 1 768 203 191 THR CB C 68.738 . 1 769 203 191 THR N N 115.914 . 1 770 204 192 LEU H H 8.051 . 1 771 204 192 LEU C C 176.047 . 1 772 205 193 LEU H H 7.977 . 1 773 205 193 LEU C C 179.871 . 1 774 205 193 LEU CA C 55.867 . 1 775 205 193 LEU CB C 41.887 . 1 776 205 193 LEU N N 118.768 . 1 777 206 194 LYS H H 7.677 . 1 778 206 194 LYS C C 177.318 . 1 779 206 194 LYS CA C 58.461 . 1 780 206 194 LYS CB C 32.734 . 1 781 206 194 LYS N N 119.775 . 1 782 207 195 ALA H H 7.565 . 1 783 207 195 ALA C C 176.531 . 1 784 207 195 ALA CA C 53.083 . 1 785 207 195 ALA CB C 18.960 . 1 786 207 195 ALA N N 120.757 . 1 787 208 196 ASN H H 7.936 . 1 788 208 196 ASN C C 174.822 . 1 789 208 196 ASN CA C 54.351 . 1 790 208 196 ASN CB C 38.160 . 1 791 208 196 ASN N N 115.463 . 1 792 212 200 ASP C C 174.735 . 1 793 213 201 ASP H H 8.129 . 1 794 213 201 ASP C C 175.553 . 1 795 213 201 ASP CA C 54.890 . 1 796 213 201 ASP CB C 38.846 . 1 797 213 201 ASP N N 116.363 . 1 798 214 202 LEU H H 7.821 . 1 799 214 202 LEU CA C 59.766 . 1 800 214 202 LEU CB C 39.579 . 1 801 214 202 LEU N N 119.486 . 1 802 215 203 PRO C C 177.971 . 1 803 215 203 PRO CA C 65.938 . 1 804 215 203 PRO CB C 30.006 . 1 805 216 204 CYS H H 8.269 . 1 806 216 204 CYS C C 176.142 . 1 807 216 204 CYS CA C 58.773 . 1 808 216 204 CYS CB C 40.906 . 1 809 216 204 CYS N N 114.211 . 1 810 217 205 HIS H H 7.301 . 1 811 217 205 HIS C C 176.747 . 1 812 217 205 HIS CA C 57.198 . 1 813 217 205 HIS CB C 29.886 . 1 814 217 205 HIS N N 120.491 . 1 815 218 206 PHE H H 8.127 . 1 816 218 206 PHE C C 176.187 . 1 817 218 206 PHE CA C 59.045 . 1 818 218 206 PHE CB C 38.901 . 1 819 218 206 PHE N N 120.501 . 1 820 219 207 THR H H 7.977 . 1 821 219 207 THR C C 175.997 . 1 822 219 207 THR CA C 64.319 . 1 823 219 207 THR CB C 63.282 . 1 824 219 207 THR N N 112.682 . 1 825 220 208 SER H H 8.004 . 1 826 220 208 SER C C 175.055 . 1 827 220 208 SER CA C 61.344 . 1 828 220 208 SER CB C 63.440 . 1 829 220 208 SER N N 117.589 . 1 830 221 209 ALA H H 7.704 . 1 831 221 209 ALA C C 177.618 . 1 832 221 209 ALA CA C 53.932 . 1 833 221 209 ALA CB C 18.891 . 1 834 221 209 ALA N N 123.860 . 1 835 222 210 PHE H H 7.718 . 1 836 222 210 PHE C C 176.142 . 1 837 222 210 PHE CA C 58.271 . 1 838 222 210 PHE CB C 39.554 . 1 839 222 210 PHE N N 116.073 . 1 840 223 211 GLY H H 7.909 . 1 841 223 211 GLY C C 173.889 . 1 842 223 211 GLY CA C 45.993 . 1 843 223 211 GLY N N 108.578 . 1 844 224 212 ALA H H 8.018 . 1 845 224 212 ALA C C 178.550 . 1 846 224 212 ALA CA C 53.608 . 1 847 224 212 ALA CB C 19.069 . 1 848 224 212 ALA N N 123.322 . 1 849 225 213 GLY H H 8.304 . 1 850 225 213 GLY C C 175.389 . 1 851 225 213 GLY CA C 46.967 . 1 852 225 213 GLY N N 107.935 . 1 853 226 214 PHE H H 8.045 . 1 854 226 214 PHE C C 176.998 . 1 855 226 214 PHE CA C 60.673 . 1 856 226 214 PHE CB C 38.319 . 1 857 226 214 PHE N N 122.440 . 1 858 227 215 CYS H H 8.016 . 1 859 227 215 CYS CA C 61.301 . 1 860 227 215 CYS CB C 41.286 . 1 861 227 215 CYS N N 116.562 . 1 862 228 216 THR H H 8.410 . 1 863 228 216 THR C C 176.437 . 1 864 229 217 THR H H 8.188 . 1 865 229 217 THR C C 176.749 . 1 866 229 217 THR CA C 65.980 . 1 867 229 217 THR CB C 67.443 . 1 868 229 217 THR N N 115.234 . 1 869 230 218 VAL H H 8.027 . 1 870 230 218 VAL C C 177.983 . 1 871 230 218 VAL CA C 66.832 . 1 872 230 218 VAL CB C 31.168 . 1 873 230 218 VAL N N 120.723 . 1 874 231 219 ILE H H 8.458 . 1 875 231 219 ILE C C 177.368 . 1 876 231 219 ILE CA C 65.575 . 1 877 231 219 ILE CB C 37.722 . 1 878 231 219 ILE N N 120.541 . 1 879 232 220 ALA H H 8.589 . 1 880 232 220 ALA C C 178.847 . 1 881 232 220 ALA CA C 55.252 . 1 882 232 220 ALA CB C 17.874 . 1 883 232 220 ALA N N 122.766 . 1 884 233 221 SER H H 8.218 . 1 885 233 221 SER CA C 62.348 . 1 886 233 221 SER CB C 61.630 . 1 887 233 221 SER N N 113.387 . 1 888 234 222 PRO C C 178.221 . 1 889 235 223 VAL H H 8.142 . 1 890 235 223 VAL C C 177.089 . 1 891 235 223 VAL CA C 65.072 . 1 892 235 223 VAL CB C 31.084 . 1 893 235 223 VAL N N 116.087 . 1 894 236 224 ASP H H 7.932 . 1 895 236 224 ASP C C 177.422 . 1 896 236 224 ASP CA C 57.135 . 1 897 236 224 ASP CB C 40.065 . 1 898 236 224 ASP N N 121.556 . 1 899 237 225 VAL H H 7.710 . 1 900 237 225 VAL CA C 64.977 . 1 901 237 225 VAL CB C 31.013 . 1 902 237 225 VAL N N 117.233 . 1 903 238 226 VAL H H 7.607 . 1 904 238 226 VAL C C 177.584 . 1 905 239 227 LYS H H 7.761 . 1 906 239 227 LYS C C 178.678 . 1 907 239 227 LYS CA C 58.483 . 1 908 239 227 LYS CB C 31.863 . 1 909 239 227 LYS N N 120.095 . 1 910 240 228 THR H H 7.761 . 1 911 240 228 THR C C 175.093 . 1 912 240 228 THR CA C 66.458 . 1 913 240 228 THR CB C 68.011 . 1 914 240 228 THR N N 115.247 . 1 915 241 229 ARG H H 7.383 . 1 916 241 229 ARG CA C 57.133 . 1 917 241 229 ARG CB C 31.218 . 1 918 241 229 ARG N N 119.633 . 1 919 242 230 TYR H H 8.699 . 1 920 242 230 TYR C C 174.956 . 1 921 243 231 MET H H 7.442 . 1 922 243 231 MET C C 175.676 . 1 923 243 231 MET CA C 54.417 . 1 924 243 231 MET N N 118.458 . 1 925 244 232 ASN H H 7.772 . 1 926 244 232 ASN C C 174.919 . 1 927 244 232 ASN CA C 59.470 . 1 928 244 232 ASN CB C 39.079 . 1 929 244 232 ASN N N 116.369 . 1 930 245 233 SER H H 8.475 . 1 931 245 233 SER C C 175.695 . 1 932 245 233 SER CA C 53.852 . 1 933 245 233 SER CB C 61.232 . 1 934 245 233 SER N N 114.568 . 1 935 246 234 ALA H H 7.929 . 1 936 246 234 ALA C C 177.128 . 1 937 246 234 ALA CA C 56.803 . 1 938 246 234 ALA CB C 18.901 . 1 939 246 234 ALA N N 127.283 . 1 940 247 235 LEU H H 7.922 . 1 941 247 235 LEU C C 176.723 . 1 942 247 235 LEU CA C 54.156 . 1 943 247 235 LEU CB C 41.215 . 1 944 247 235 LEU N N 118.112 . 1 945 248 236 GLY H H 8.318 . 1 946 248 236 GLY CA C 44.558 . 1 947 248 236 GLY N N 107.203 . 1 948 250 238 TYR H H 8.134 . 1 949 250 238 TYR C C 175.942 . 1 950 251 239 HIS H H 8.184 . 1 951 251 239 HIS C C 174.531 . 1 952 251 239 HIS CA C 58.931 . 1 953 251 239 HIS CB C 29.525 . 1 954 251 239 HIS N N 123.281 . 1 955 252 240 SER H H 8.010 . 1 956 252 240 SER C C 174.429 . 1 957 252 240 SER CA C 57.452 . 1 958 252 240 SER CB C 65.022 . 1 959 252 240 SER N N 110.038 . 1 960 253 241 ALA H H 8.034 . 1 961 253 241 ALA C C 179.249 . 1 962 253 241 ALA CA C 54.981 . 1 963 253 241 ALA CB C 19.069 . 1 964 253 241 ALA N N 123.034 . 1 965 254 242 GLY H H 8.427 . 1 966 254 242 GLY C C 174.433 . 1 967 254 242 GLY CA C 47.615 . 1 968 254 242 GLY N N 106.379 . 1 969 255 243 HIS H H 8.304 . 1 970 255 243 HIS C C 178.084 . 1 971 255 243 HIS CA C 60.144 . 1 972 255 243 HIS CB C 33.073 . 1 973 255 243 HIS N N 121.119 . 1 974 256 244 CYS H H 8.168 . 1 975 256 244 CYS C C 175.453 . 1 976 256 244 CYS CA C 58.668 . 1 977 256 244 CYS CB C 41.434 . 1 978 256 244 CYS N N 117.946 . 1 979 257 245 ALA H H 7.932 . 1 980 257 245 ALA C C 179.489 . 1 981 257 245 ALA CA C 54.589 . 1 982 257 245 ALA CB C 17.675 . 1 983 257 245 ALA N N 123.138 . 1 984 258 246 LEU H H 7.681 . 1 985 258 246 LEU C C 178.234 . 1 986 258 246 LEU CA C 56.967 . 1 987 258 246 LEU CB C 41.067 . 1 988 258 246 LEU N N 119.779 . 1 989 259 247 THR H H 7.855 . 1 990 259 247 THR C C 176.244 . 1 991 259 247 THR CA C 66.511 . 1 992 259 247 THR CB C 67.274 . 1 993 259 247 THR N N 114.552 . 1 994 260 248 MET H H 8.296 . 1 995 260 248 MET C C 177.094 . 1 996 260 248 MET CA C 58.532 . 1 997 260 248 MET CB C 32.288 . 1 998 260 248 MET N N 118.862 . 1 999 261 249 LEU H H 8.053 . 1 1000 261 249 LEU C C 178.162 . 1 1001 261 249 LEU CA C 58.167 . 1 1002 261 249 LEU CB C 42.202 . 1 1003 261 249 LEU N N 116.839 . 1 1004 262 250 ARG H H 7.827 . 1 1005 262 250 ARG CA C 58.761 . 1 1006 262 250 ARG CB C 30.825 . 1 1007 262 250 ARG N N 116.821 . 1 1008 266 254 PRO C C 177.152 . 1 1009 266 254 PRO CA C 65.152 . 1 1010 267 255 ARG H H 8.072 . 1 1011 267 255 ARG C C 177.463 . 1 1012 267 255 ARG CA C 59.335 . 1 1013 267 255 ARG CB C 30.185 . 1 1014 267 255 ARG N N 117.739 . 1 1015 268 256 ALA H H 7.963 . 1 1016 268 256 ALA C C 179.251 . 1 1017 268 256 ALA CA C 54.631 . 1 1018 268 256 ALA CB C 18.683 . 1 1019 268 256 ALA N N 121.709 . 1 1020 269 257 PHE H H 7.832 . 1 1021 269 257 PHE C C 175.987 . 1 1022 269 257 PHE CA C 61.037 . 1 1023 269 257 PHE CB C 38.637 . 1 1024 269 257 PHE N N 117.096 . 1 1025 270 258 TYR H H 7.813 . 1 1026 270 258 TYR C C 176.250 . 1 1027 270 258 TYR CA C 60.116 . 1 1028 270 258 TYR CB C 38.882 . 1 1029 270 258 TYR N N 118.496 . 1 1030 271 259 LYS H H 7.864 . 1 1031 271 259 LYS C C 177.696 . 1 1032 271 259 LYS CA C 57.192 . 1 1033 271 259 LYS CB C 32.734 . 1 1034 271 259 LYS N N 119.458 . 1 1035 272 260 GLY H H 7.622 . 1 1036 272 260 GLY C C 173.967 . 1 1037 272 260 GLY CA C 46.117 . 1 1038 272 260 GLY N N 106.217 . 1 1039 273 261 PHE H H 7.677 . 1 1040 273 261 PHE C C 175.055 . 1 1041 273 261 PHE CA C 57.721 . 1 1042 273 261 PHE CB C 40.183 . 1 1043 273 261 PHE N N 118.847 . 1 1044 277 265 PHE H H 7.695 . 1 1045 277 265 PHE C C 176.602 . 1 1046 277 265 PHE CA C 61.838 . 1 1047 277 265 PHE CB C 39.537 . 1 1048 278 266 LEU H H 8.104 . 1 1049 278 266 LEU C C 177.152 . 1 1050 278 266 LEU CA C 56.115 . 1 1051 278 266 LEU CB C 42.398 . 1 1052 278 266 LEU N N 118.465 . 1 1053 279 267 ARG H H 7.472 . 1 1054 279 267 ARG C C 176.608 . 1 1055 279 267 ARG CA C 56.938 . 1 1056 279 267 ARG CB C 30.659 . 1 1057 279 267 ARG N N 118.749 . 1 1058 280 268 LEU H H 7.690 . 1 1059 280 268 LEU C C 177.540 . 1 1060 280 268 LEU CA C 57.094 . 1 1061 280 268 LEU CB C 42.027 . 1 1062 280 268 LEU N N 120.305 . 1 1063 281 269 GLY H H 7.881 . 1 1064 281 269 GLY C C 174.045 . 1 1065 281 269 GLY CA C 46.967 . 1 1066 281 269 GLY N N 106.837 . 1 1067 282 270 SER H H 7.813 . 1 1068 282 270 SER C C 174.123 . 1 1069 282 270 SER CA C 58.796 . 1 1070 282 270 SER CB C 58.975 . 1 1071 282 270 SER N N 115.531 . 1 1072 283 271 TRP H H 8.186 . 1 1073 283 271 TRP C C 176.142 . 1 1074 283 271 TRP CA C 59.221 . 1 1075 283 271 TRP CB C 30.446 . 1 1076 283 271 TRP N N 122.851 . 1 1077 284 272 ASN H H 8.127 . 1 1078 284 272 ASN CA C 55.325 . 1 1079 284 272 ASN CB C 39.504 . 1 1080 284 272 ASN N N 118.459 . 1 1081 285 273 VAL H H 7.854 . 1 1082 285 273 VAL C C 177.263 . 1 1083 286 274 VAL H H 7.483 . 1 1084 286 274 VAL C C 177.072 . 1 1085 286 274 VAL CA C 64.717 . 1 1086 286 274 VAL CB C 29.553 . 1 1087 286 274 VAL N N 119.883 . 1 1088 287 275 MET H H 8.118 . 1 1089 287 275 MET C C 177.594 . 1 1090 287 275 MET CA C 57.654 . 1 1091 287 275 MET CB C 31.592 . 1 1092 287 275 MET N N 120.401 . 1 1093 288 276 PHE H H 7.878 . 1 1094 288 276 PHE C C 176.498 . 1 1095 288 276 PHE CA C 61.766 . 1 1096 288 276 PHE CB C 39.031 . 1 1097 288 276 PHE N N 122.234 . 1 1098 289 277 VAL H H 7.913 . 1 1099 289 277 VAL CA C 64.566 . 1 1100 289 277 VAL CB C 30.544 . 1 1101 289 277 VAL N N 118.907 . 1 1102 290 278 THR H H 8.095 . 1 1103 290 278 THR C C 175.376 . 1 1104 291 279 TYR H H 7.986 . 1 1105 291 279 TYR C C 176.919 . 1 1106 291 279 TYR CA C 61.717 . 1 1107 291 279 TYR CB C 38.020 . 1 1108 291 279 TYR N N 118.029 . 1 1109 292 280 GLU H H 8.359 . 1 1110 292 280 GLU C C 176.686 . 1 1111 292 280 GLU CA C 60.084 . 1 1112 292 280 GLU CB C 29.443 . 1 1113 292 280 GLU N N 118.005 . 1 1114 293 281 GLN H H 7.704 . 1 1115 293 281 GLN C C 176.210 . 1 1116 293 281 GLN CA C 58.986 . 1 1117 293 281 GLN CB C 28.784 . 1 1118 293 281 GLN N N 118.746 . 1 1119 294 282 LEU H H 7.995 . 1 1120 294 282 LEU C C 178.084 . 1 1121 294 282 LEU CA C 58.741 . 1 1122 294 282 LEU CB C 41.451 . 1 1123 294 282 LEU N N 120.970 . 1 1124 295 283 LYS H H 7.731 . 1 1125 295 283 LYS CA C 59.048 . 1 1126 295 283 LYS CB C 31.871 . 1 1127 295 283 LYS N N 117.756 . 1 1128 296 284 ARG H H 7.895 . 1 1129 297 285 ALA H H 8.223 . 1 1130 297 285 ALA C C 176.488 . 1 1131 298 286 LEU H H 7.947 . 1 1132 298 286 LEU C C 178.628 . 1 1133 298 286 LEU CA C 58.217 . 1 1134 298 286 LEU CB C 41.905 . 1 1135 298 286 LEU N N 117.376 . 1 1136 299 287 MET H H 8.182 . 1 1137 299 287 MET C C 178.472 . 1 1138 299 287 MET CA C 58.461 . 1 1139 299 287 MET CB C 32.110 . 1 1140 299 287 MET N N 127.376 . 1 1141 300 288 ALA H H 7.841 . 1 1142 300 288 ALA C C 180.197 . 1 1143 300 288 ALA CA C 55.617 . 1 1144 300 288 ALA CB C 18.215 . 1 1145 300 288 ALA N N 121.854 . 1 1146 301 289 ALA H H 7.872 . 1 1147 301 289 ALA C C 178.939 . 1 1148 301 289 ALA CA C 55.186 . 1 1149 301 289 ALA CB C 18.735 . 1 1150 301 289 ALA N N 121.224 . 1 1151 302 290 TYR H H 8.100 . 1 1152 302 290 TYR C C 176.841 . 1 1153 302 290 TYR CA C 60.868 . 1 1154 302 290 TYR CB C 39.344 . 1 1155 302 290 TYR N N 118.183 . 1 1156 303 291 GLN H H 8.059 . 1 1157 303 291 GLN C C 176.997 . 1 1158 303 291 GLN CA C 58.787 . 1 1159 303 291 GLN CB C 29.216 . 1 1160 303 291 GLN N N 117.243 . 1 1161 304 292 SER H H 7.718 . 1 1162 304 292 SER C C 174.511 . 1 1163 304 292 SER CA C 59.720 . 1 1164 304 292 SER CB C 63.896 . 1 1165 304 292 SER N N 114.721 . 1 1166 305 293 ARG H H 7.609 . 1 1167 305 293 ARG C C 175.521 . 1 1168 305 293 ARG CA C 59.639 . 1 1169 305 293 ARG CB C 30.568 . 1 1170 305 293 ARG N N 121.401 . 1 1171 306 294 GLU H H 7.909 . 1 1172 306 294 GLU C C 177.648 . 1 1173 306 294 GLU CA C 59.624 . 1 1174 306 294 GLU CB C 30.362 . 1 1175 306 294 GLU N N 120.090 . 1 1176 307 295 ALA H H 7.760 . 1 1177 307 295 ALA C C 176.014 . 1 1178 307 295 ALA CA C 56.844 . 1 1179 307 295 ALA CB C 17.735 . 1 1180 307 295 ALA N N 121.234 . 1 stop_ save_