data_17977 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PPARgamma LBD complexed with MRL20 ; _BMRB_accession_number 17977 _BMRB_flat_file_name bmr17977.str _Entry_type original _Submission_date 2011-10-05 _Accession_date 2011-10-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Ligand binding domain of PPARgamma complexed to MRL20' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kojetin Douglas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 170 "13C chemical shifts" 499 "15N chemical shifts" 169 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-01-18 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17975 'PPARgamma LBD + rosigliazone' 17976 'PPARgamma LBD + MRL24' stop_ _Original_release_date 2012-01-18 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Ligand and Receptor Dynamics Contribute to the Mechanism of Graded PPAR Agonism.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22244763 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hughes Travis S. . 2 Chalmers Michael J. . 3 Novick Scott . . 4 Kuruvilla Dana S. . 5 Chang 'Mi Ra' . . 6 Kamenecka Theodore M. . 7 Rance Mark . . 8 Johnson Bruce A. . 9 Burris Thomas P. . 10 Griffin Patrick R. . 11 Kojetin Douglas J. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 20 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 139 _Page_last 150 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PPARgamma LBD + MRL20' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PPARgamma_LBD $PPARgamma_LBD MRL20 $240 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_PPARgamma_LBD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PPARgamma_LBD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 276 _Mol_residue_sequence ; GQLNPESADLRALAKHLYDS YIKSFPLTKAKARAILTGKT TDKSPFVIYDMNSLMMGEDK IKFKHITPLQEQSKEVAIRI FQGCQFRSVEAVQEITEYAK SIPGFVNLDLNDQVTLLKYG VHEIIYTMLASLMNKDGVLI SEGQGFMTREFLKSLRKPFG DFMEPKFEFAVKFNALELDD SDLAIFIAVIILSGDRPGLL NVKPIEDIQDNLLQALELQL KLNHPESSQLFAKLLQKMTD LRQIVTEHVQLLQVIKKTET DMSLHPLLQEIYKDLY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 202 GLY 2 203 GLN 3 204 LEU 4 205 ASN 5 206 PRO 6 207 GLU 7 208 SER 8 209 ALA 9 210 ASP 10 211 LEU 11 212 ARG 12 213 ALA 13 214 LEU 14 215 ALA 15 216 LYS 16 217 HIS 17 218 LEU 18 219 TYR 19 220 ASP 20 221 SER 21 222 TYR 22 223 ILE 23 224 LYS 24 225 SER 25 226 PHE 26 227 PRO 27 228 LEU 28 229 THR 29 230 LYS 30 231 ALA 31 232 LYS 32 233 ALA 33 234 ARG 34 235 ALA 35 236 ILE 36 237 LEU 37 238 THR 38 239 GLY 39 240 LYS 40 241 THR 41 242 THR 42 243 ASP 43 244 LYS 44 245 SER 45 246 PRO 46 247 PHE 47 248 VAL 48 249 ILE 49 250 TYR 50 251 ASP 51 252 MET 52 253 ASN 53 254 SER 54 255 LEU 55 256 MET 56 257 MET 57 258 GLY 58 259 GLU 59 260 ASP 60 261 LYS 61 262 ILE 62 263 LYS 63 264 PHE 64 265 LYS 65 266 HIS 66 267 ILE 67 268 THR 68 269 PRO 69 270 LEU 70 271 GLN 71 272 GLU 72 273 GLN 73 274 SER 74 275 LYS 75 276 GLU 76 277 VAL 77 278 ALA 78 279 ILE 79 280 ARG 80 281 ILE 81 282 PHE 82 283 GLN 83 284 GLY 84 285 CYS 85 286 GLN 86 287 PHE 87 288 ARG 88 289 SER 89 290 VAL 90 291 GLU 91 292 ALA 92 293 VAL 93 294 GLN 94 295 GLU 95 296 ILE 96 297 THR 97 298 GLU 98 299 TYR 99 300 ALA 100 301 LYS 101 302 SER 102 303 ILE 103 304 PRO 104 305 GLY 105 306 PHE 106 307 VAL 107 308 ASN 108 309 LEU 109 310 ASP 110 311 LEU 111 312 ASN 112 313 ASP 113 314 GLN 114 315 VAL 115 316 THR 116 317 LEU 117 318 LEU 118 319 LYS 119 320 TYR 120 321 GLY 121 322 VAL 122 323 HIS 123 324 GLU 124 325 ILE 125 326 ILE 126 327 TYR 127 328 THR 128 329 MET 129 330 LEU 130 331 ALA 131 332 SER 132 333 LEU 133 334 MET 134 335 ASN 135 336 LYS 136 337 ASP 137 338 GLY 138 339 VAL 139 340 LEU 140 341 ILE 141 342 SER 142 343 GLU 143 344 GLY 144 345 GLN 145 346 GLY 146 347 PHE 147 348 MET 148 349 THR 149 350 ARG 150 351 GLU 151 352 PHE 152 353 LEU 153 354 LYS 154 355 SER 155 356 LEU 156 357 ARG 157 358 LYS 158 359 PRO 159 360 PHE 160 361 GLY 161 362 ASP 162 363 PHE 163 364 MET 164 365 GLU 165 366 PRO 166 367 LYS 167 368 PHE 168 369 GLU 169 370 PHE 170 371 ALA 171 372 VAL 172 373 LYS 173 374 PHE 174 375 ASN 175 376 ALA 176 377 LEU 177 378 GLU 178 379 LEU 179 380 ASP 180 381 ASP 181 382 SER 182 383 ASP 183 384 LEU 184 385 ALA 185 386 ILE 186 387 PHE 187 388 ILE 188 389 ALA 189 390 VAL 190 391 ILE 191 392 ILE 192 393 LEU 193 394 SER 194 395 GLY 195 396 ASP 196 397 ARG 197 398 PRO 198 399 GLY 199 400 LEU 200 401 LEU 201 402 ASN 202 403 VAL 203 404 LYS 204 405 PRO 205 406 ILE 206 407 GLU 207 408 ASP 208 409 ILE 209 410 GLN 210 411 ASP 211 412 ASN 212 413 LEU 213 414 LEU 214 415 GLN 215 416 ALA 216 417 LEU 217 418 GLU 218 419 LEU 219 420 GLN 220 421 LEU 221 422 LYS 222 423 LEU 223 424 ASN 224 425 HIS 225 426 PRO 226 427 GLU 227 428 SER 228 429 SER 229 430 GLN 230 431 LEU 231 432 PHE 232 433 ALA 233 434 LYS 234 435 LEU 235 436 LEU 236 437 GLN 237 438 LYS 238 439 MET 239 440 THR 240 441 ASP 241 442 LEU 242 443 ARG 243 444 GLN 244 445 ILE 245 446 VAL 246 447 THR 247 448 GLU 248 449 HIS 249 450 VAL 250 451 GLN 251 452 LEU 252 453 LEU 253 454 GLN 254 455 VAL 255 456 ILE 256 457 LYS 257 458 LYS 258 459 THR 259 460 GLU 260 461 THR 261 462 ASP 262 463 MET 263 464 SER 264 465 LEU 265 466 HIS 266 467 PRO 267 468 LEU 268 469 LEU 269 470 GLN 270 471 GLU 271 472 ILE 272 473 TYR 273 474 LYS 274 475 ASP 275 476 LEU 276 477 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 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 BMRB 15518 Peroxisome_Proliferator-Activated_Receptor_Gamma_Ligand-Binding_Domain 99.64 279 100.00 100.00 0.00e+00 BMRB 17975 PPARgamma_LBD 100.00 276 100.00 100.00 0.00e+00 BMRB 17976 PPARgamma_LBD 100.00 276 100.00 100.00 0.00e+00 PDB 1FM6 "The 2.1 Angstrom Resolution Crystal Structure Of The Heterodimer Of The Human Rxralpha And Ppargamma Ligand Binding Domains Res" 98.55 272 100.00 100.00 0.00e+00 PDB 1FM9 "The 2.1 Angstrom Resolution Crystal Structure Of The Heterodimer Of The Human Rxralpha And Ppargamma Ligand Binding Domains Res" 98.55 272 100.00 100.00 0.00e+00 PDB 1I7I "Crystal Structure Of The Ligand Binding Domain Of Human Ppar-Gamma In Complex With The Agonist Az 242" 99.64 292 100.00 100.00 0.00e+00 PDB 1K74 "The 2.3 Angstrom Resolution Crystal Structure Of The Heterodimer Of The Human Ppargamma And Rxralpha Ligand Binding Domains Res" 98.91 283 99.63 99.63 0.00e+00 PDB 1KNU "Ligand Binding Domain Of The Human Peroxisome Proliferator Activated Receptor Gamma In Complex With A Synthetic Agonist" 99.28 274 100.00 100.00 0.00e+00 PDB 1NYX "Ligand Binding Domain Of The Human Peroxisome Proliferator Activated Receptor Gamma In Complex With An Agonist" 99.64 276 100.00 100.00 0.00e+00 PDB 1PRG "Ligand Binding Domain Of The Human Peroxisome Proliferator Activated Receptor Gamma" 97.83 270 100.00 100.00 0.00e+00 PDB 1RDT "Crystal Structure Of A New Rexinoid Bound To The Rxralpha Ligand Binding Doamin In The RxralphaPPARGAMMA HETERODIMER" 98.19 284 100.00 100.00 0.00e+00 PDB 1WM0 "Ppargamma In Complex With A 2-Baba Compound" 100.00 292 99.64 100.00 0.00e+00 PDB 1ZEO "Crystal Structure Of Human Ppar-Gamma Ligand Binding Domain Complexed With An Alpha-Aryloxyphenylacetic Acid Agonist" 100.00 277 99.64 99.64 0.00e+00 PDB 1ZGY "Structural And Biochemical Basis For Selective Repression Of The Orphan Nuclear Receptor Lrh-1 By Shp" 98.55 272 100.00 100.00 0.00e+00 PDB 2ATH "Crystal Structure Of The Ligand Binding Domain Of Human Ppar-Gamma Im Complex With An Agonist" 98.19 271 100.00 100.00 0.00e+00 PDB 2F4B "Crystal Structure Of The Ligand Binding Domain Of Human Ppar-Gamma In Complex With An Agonist" 98.19 271 100.00 100.00 0.00e+00 PDB 2FVJ "A Novel Anti-adipogenic Partial Agonist Of Peroxisome Proliferator- Activated Receptor-gamma (pparg) Recruits Pparg-coactivator" 98.19 271 100.00 100.00 0.00e+00 PDB 2G0G "Structure-based Drug Design Of A Novel Family Of Ppar Partial Agonists: Virtual Screening, X-ray Crystallography And In Vitro/i" 98.19 271 100.00 100.00 0.00e+00 PDB 2G0H "Structure-Based Drug Design Of A Novel Family Of Ppar Partial Agonists: Virtual Screening, X-Ray Crystallography And In VitroIN" 98.19 271 100.00 100.00 0.00e+00 PDB 2GTK "Structure-Based Design Of Indole Propionic Acids As Novel Pparag Co-Agonists" 98.19 271 100.00 100.00 0.00e+00 PDB 2HFP "Crystal Structure Of Ppar Gamma With N-Sulfonyl-2-Indole Carboxamide Ligands" 98.91 282 99.63 100.00 0.00e+00 PDB 2HWQ "Structural Basis For The Structure-Activity Relationships Of Peroxisome Proliferator-Activated Receptor Agonists" 98.19 271 100.00 100.00 0.00e+00 PDB 2HWR "Structural Basis For The Structure-Activity Relationships Of Peroxisome Proliferator-Activated Receptor Agonists" 98.19 271 100.00 100.00 0.00e+00 PDB 2I4J "Crystal Structure Of The Complex Between Ppargamma And The Agonist Lt160 (Ureidofibrate Derivative)" 99.28 286 100.00 100.00 0.00e+00 PDB 2I4P "Crystal Structure Of The Complex Between Ppargamma And The Partial Agonist Lt127 (Ureidofibrate Derivative). Structure Obtained" 99.28 286 100.00 100.00 0.00e+00 PDB 2I4Z "Crystal Structure Of The Complex Between Ppargamma And The Partial Agonist Lt127 (Ureidofibrate Derivative). This Structure Has" 99.28 286 100.00 100.00 0.00e+00 PDB 2OM9 "Ajulemic Acid, A Synthetic Cannabinoid Bound To Ppar Gamma" 99.28 278 100.00 100.00 0.00e+00 PDB 2P4Y "Crystal Structure Of Human Ppar-Gamma-Ligand Binding Domain Complexed With An Indole-Based Modulator" 100.00 277 99.64 99.64 0.00e+00 PDB 2POB "Ppargamma Ligand Binding Domain Complexed With A Farglitazar Analogue Gw4709" 98.55 272 100.00 100.00 0.00e+00 PDB 2PRG "Ligand-Binding Domain Of The Human Peroxisome Proliferator Activated Receptor Gamma" 98.19 271 100.00 100.00 0.00e+00 PDB 2Q59 "Crystal Structure Of Ppargamma Lbd Bound To Full Agonist Mrl20" 98.91 274 100.00 100.00 0.00e+00 PDB 2Q5P "Crystal Structure Of Ppargamma Bound To Partial Agonist Mrl24" 98.91 274 100.00 100.00 0.00e+00 PDB 2Q5S "Crystal Structure Of Ppargamma Bound To Partial Agonist Ntzdpa" 98.91 274 100.00 100.00 0.00e+00 PDB 2Q61 "Crystal Structure Of Ppargamma Ligand Binding Domain Bound To Partial Agonist Sr145" 98.91 274 100.00 100.00 0.00e+00 PDB 2Q6R "Crystal Structure Of Ppar Gamma Complexed With Partial Agonist Sf147" 98.91 274 100.00 100.00 0.00e+00 PDB 2Q6S "2.4 Angstrom Crystal Structure Of Ppar Gamma Complexed To Bvt.13 Without Co-Activator Peptides" 98.91 274 100.00 100.00 0.00e+00 PDB 2Q8S "X-Ray Crystal Structure Of The Nuclear Hormone Receptor Ppar-Gamma In A Complex With A Ppar GammaALPHA DUAL AGONIST" 98.19 271 100.00 100.00 0.00e+00 PDB 2QMV "High Resolution Structure Of Peroxisone Proliferation-Activated Receptor Gamma And Characterisation Of Its Interaction With The" 97.83 270 100.00 100.00 0.00e+00 PDB 2VSR "Hppargamma Ligand Binding Domain In Complex With 9-(S)-Hode" 100.00 276 99.64 99.64 0.00e+00 PDB 2VST "Hppargamma Ligand Binding Domain In Complex With 13-(S)- Hode" 100.00 276 99.64 99.64 0.00e+00 PDB 2VV0 "Hppargamma Ligand Binding Domain In Complex With Dha" 100.00 276 99.64 99.64 0.00e+00 PDB 2VV1 "Hppargamma Ligand Binding Domain In Complex With 4-Hdha" 100.00 276 99.64 99.64 0.00e+00 PDB 2VV2 "Hppargamma Ligand Binding Domain In Complex With 5-Hepa" 100.00 276 99.64 99.64 0.00e+00 PDB 2VV3 "Hppargamma Ligand Binding Domain In Complex With 4-Oxodha" 100.00 276 99.64 99.64 0.00e+00 PDB 2VV4 "Hppargamma Ligand Binding Domain In Complex With 6-Oxoote" 100.00 276 99.64 99.64 0.00e+00 PDB 2XKW "Ligand Binding Domain Of Human Ppar-Gamma In Complex With The Agonist Pioglitazone" 99.28 274 100.00 100.00 0.00e+00 PDB 2YFE "Ligand Binding Domain Of Human Ppar Gamma In Complex With Amorfrutin 1" 99.64 287 100.00 100.00 0.00e+00 PDB 2ZK0 "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain" 99.28 286 100.00 100.00 0.00e+00 PDB 2ZK1 "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With 15-Deoxy-Delta12,14- Prostaglandin " 99.28 286 100.00 100.00 0.00e+00 PDB 2ZK2 "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With Glutathion Conjugated 15-Deoxy-Delt" 99.28 286 100.00 100.00 0.00e+00 PDB 2ZK3 "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With 8-Oxo- Eicosatetraenoic Acid" 99.28 286 100.00 100.00 0.00e+00 PDB 2ZK4 "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With 15-Oxo- Eicosatetraenoic Acid" 99.28 286 100.00 100.00 0.00e+00 PDB 2ZK5 "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With Nitro-233" 99.28 286 100.00 100.00 0.00e+00 PDB 2ZK6 "Human Peroxisome Proliferator-Activated Receptor Gamma Ligand Binding Domain Complexed With C8-Bodipy" 99.28 286 100.00 100.00 0.00e+00 PDB 2ZNO "Human Pprr Gamma Ligand Binding Domain In Complex With A Synthetic Agonist Tipp703" 99.28 286 100.00 100.00 0.00e+00 PDB 2ZVT "Cys285ser Mutant Ppargamma Ligand-Binding Domain Complexed With 15-Deoxy-Delta12,14-Prostaglandin J2" 99.28 286 99.64 99.64 0.00e+00 PDB 3ADS "Human Ppargamma Ligand-Binding Domain In Complex With Indomethacin" 99.64 287 100.00 100.00 0.00e+00 PDB 3ADT "Human Ppargamma Ligand-Binding Domain In Complex With 5-Hydroxy-Indole Acetate" 99.64 287 100.00 100.00 0.00e+00 PDB 3ADU "Human Ppargamma Ligand-Binding Domain In Complex With 5-Methoxy-Indole Acetate" 99.64 287 100.00 100.00 0.00e+00 PDB 3ADV "Human Ppargamma Ligand-Binding Domain In Complex With Serotonin" 99.64 287 100.00 100.00 0.00e+00 PDB 3ADW "Human Ppargamma Ligand-Binding Domain In Complex With 5-Methoxy-Indole Acetate And 15-Oxo-Eicosatetraenoic Acid" 99.64 287 100.00 100.00 0.00e+00 PDB 3ADX "Human Ppargamma Ligand-Binding Domain In Complex With Indomethacin And Nitro-233" 99.64 287 100.00 100.00 0.00e+00 PDB 3AN3 "Human Ppar Gamma Ligand Binding Domain In Complex With A Gamma Selective Agonist Mo3s" 99.28 286 100.00 100.00 0.00e+00 PDB 3AN4 "Human Ppar Gamma Ligand Binding Domain In Complex With A Gamma Selective Agonist Mo4r" 99.28 286 100.00 100.00 0.00e+00 PDB 3B0Q "Human Ppar Gamma Ligand Binding Domain In Complex With Mcc555" 99.28 274 100.00 100.00 0.00e+00 PDB 3B0R "Human Ppar Gamma Ligand Binding Dmain Complexed With Gw9662 In A Covalent Bonded Form" 99.28 274 100.00 100.00 0.00e+00 PDB 3B1M "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator Cerco-A" 98.91 283 99.63 99.63 0.00e+00 PDB 3B3K "Crystal Structure Of The Complex Between Ppargamma And The Full Agonist Lt175" 99.28 286 100.00 100.00 0.00e+00 PDB 3BC5 "X-Ray Crystal Structure Of Human Ppar Gamma With 2-(5-(3-(2- (5-Methyl-2-Phenyloxazol-4-Yl)ethoxy)benzyl)-2-Phenyl-2h-1, 2,3-Tr" 99.64 296 100.00 100.00 0.00e+00 PDB 3CDP "Crystal Structure Of Ppar-gamma Lbd Complexed With A Partial Agonist, Analogue Of Clofibric Acid" 99.28 286 100.00 100.00 0.00e+00 PDB 3CDS "Crystal Structure Of The Complex Between Ppar-Gamma And The Agonist Lt248 (Clofibric Acid Analogue)" 99.28 286 100.00 100.00 0.00e+00 PDB 3CS8 "Structural And Biochemical Basis For The Binding Selectivity Of Pparg To Pgc-1a" 98.55 275 99.63 100.00 0.00e+00 PDB 3CWD "Molecular Recognition Of Nitro-Fatty Acids By Ppar Gamma" 97.83 270 100.00 100.00 0.00e+00 PDB 3D6D "Crystal Structure Of The Complex Between Ppargamma Lbd And The Lt175(R-Enantiomer)" 99.28 286 100.00 100.00 0.00e+00 PDB 3DZU "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Bvt.13, 9-Cis Retinoic Acid And Ncoa2 Peptide" 99.64 419 100.00 100.00 0.00e+00 PDB 3DZY "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Rosiglitazone, 9-Cis Retinoic Acid And Ncoa2 Peptide" 99.64 419 100.00 100.00 0.00e+00 PDB 3E00 "Intact Ppar Gamma - Rxr Alpha Nuclear Receptor Complex On Dna Bound With Gw9662, 9-Cis Retinoic Acid And Ncoa2 Peptide" 99.64 419 100.00 100.00 0.00e+00 PDB 3ET0 "Structure Of Ppargamma With 3-(5-Methoxy-1h-Indol-3-Yl)- Propionic Acid" 98.19 292 99.63 99.63 0.00e+00 PDB 3ET3 "Structure Of Ppargamma With 3-[5-Methoxy-1-(4-Methoxy- Benzenesulfonyl)-1h-Indol-3-Yl]-Propionic Acid" 98.19 292 100.00 100.00 0.00e+00 PDB 3FEJ "Design And Biological Evaluation Of Novel, Balanced Dual PparaG AGONISTS" 98.19 271 100.00 100.00 0.00e+00 PDB 3FUR "Crystal Structure Of Pparg In Complex With Int131" 98.55 272 100.00 100.00 0.00e+00 PDB 3G9E "Aleglitaar. A New. Potent, And Balanced Dual PparaG AGONIST For The Treatment Of Type Ii Diabetes" 98.19 271 100.00 100.00 0.00e+00 PDB 3GBK "Crystal Structure Of Human Ppar-Gamma Ligand Binding Domain Complexed With A Potent And Selective Agonist" 98.19 271 100.00 100.00 0.00e+00 PDB 3H0A "Crystal Structure Of Peroxisome Proliferator-activated Receptor Gamma (pparg) And Retinoic Acid Receptor Alpha (rxra) In Comple" 98.55 272 100.00 100.00 0.00e+00 PDB 3HO0 "Crystal Structure Of The Ppargamma-Lbd Complexed With A New Aryloxy-3phenylpropanoic Acid" 99.28 286 100.00 100.00 0.00e+00 PDB 3HOD "Crystal Structure Of The Ppargamma-Lbd Complexed With A New Aryloxy-3phenylpropanoic Acid" 99.28 286 100.00 100.00 0.00e+00 PDB 3IA6 "X-Ray Crystal Structure Of The Nuclear Hormone Receptor Ppar-Gamma In A Complex With A Ppar GammaALPHA DUAL Agonist" 98.19 271 100.00 100.00 0.00e+00 PDB 3K8S "Crystal Structure Of Pparg In Complex With T2384" 98.55 272 100.00 100.00 0.00e+00 PDB 3KMG "The X-Ray Crystal Structure Of Ppar-Gamma In Complex With An Indole Derivative Modulator, Gsk538, And An Src-1 Peptide" 98.55 272 100.00 100.00 0.00e+00 PDB 3LMP "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator" 98.91 283 99.63 99.63 0.00e+00 PDB 3NOA "Crystal Structure Of Human Ppar-Gamma Ligand Binding Domain Complex With A Potency Improved Agonist" 98.19 271 100.00 100.00 0.00e+00 PDB 3OSI "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Tetrachloro-bisphenol A (tcbpa)" 99.28 285 100.00 100.00 0.00e+00 PDB 3OSW "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Tetrabromo-bisphenol A (tbbpa)" 99.28 285 100.00 100.00 0.00e+00 PDB 3PBA "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Monosulfate Tetrabromo-Bisphenol A (Monotbbpa)" 99.64 286 100.00 100.00 0.00e+00 PDB 3PO9 "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Tripropyltin" 99.64 286 100.00 100.00 0.00e+00 PDB 3PRG "Ligand Binding Domain Of Human Peroxisome Proliferator Activated Receptor" 99.28 278 100.00 100.00 0.00e+00 PDB 3QT0 "Revealing A Steroid Receptor Ligand As A Unique Ppargamma Agonist" 98.19 271 100.00 100.00 0.00e+00 PDB 3R5N "Crystal Structure Of Ppargammalbd Complexed With The Agonist Magnolol" 99.28 274 100.00 100.00 0.00e+00 PDB 3R8A "X-Ray Crystal Structure Of The Nuclear Hormone Receptor Ppar-Gamma In A Complex With A Compound With Dual Ppar Gamma Agonism An" 98.19 282 100.00 100.00 0.00e+00 PDB 3R8I "Crystal Structure Of Ppargamma With An Achiral Ureidofibrate Derivative (Rt86)" 99.64 287 100.00 100.00 0.00e+00 PDB 3S9S "Ligand Binding Domain Of Ppargamma Complexed With A Benzimidazole Partial Agonist" 98.55 284 100.00 100.00 0.00e+00 PDB 3SZ1 "Human Ppar Gamma Ligand Binding Domain In Complex With Luteolin And Myristic Acid" 99.28 278 100.00 100.00 0.00e+00 PDB 3T03 "Crystal Structure Of Ppar Gamma Ligand Binding Domain In Complex With A Novel Partial Agonist Gq-16" 98.91 284 99.63 99.63 0.00e+00 PDB 3TY0 "Structure Of Ppargamma Ligand Binding Domain In Complex With (r)-5-(3- ((3-(6-methoxybenzo[d]isoxazol-3-yl)-2-oxo-2,3-dihydro-1" 100.00 277 99.64 99.64 0.00e+00 PDB 3U9Q "Ligand Binding Domain Of Ppargamma Complexed With Decanoic Acid And Pgc-1a Peptide" 97.46 269 100.00 100.00 0.00e+00 PDB 3V9T "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator" 98.91 283 99.63 99.63 0.00e+00 PDB 3V9V "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator" 98.91 283 99.63 99.63 0.00e+00 PDB 3V9Y "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator" 98.91 283 99.63 99.63 0.00e+00 PDB 3VJH "Human Ppar Gamma Ligand Binding Domain In Complex With Jkpl35" 99.28 286 100.00 100.00 0.00e+00 PDB 3VJI "Human Ppar Gamma Ligand Binding Domain In Complex With Jkpl53" 99.28 286 100.00 100.00 0.00e+00 PDB 3VN2 "Crystal Structure Of Ppargamma Complexed With Telmisartan" 99.64 285 100.00 100.00 0.00e+00 PDB 3VSO "Human Ppar Gamma Ligand Binding Domain In Complex With A Gamma Selective Agonist Mekt21" 99.28 286 100.00 100.00 0.00e+00 PDB 3VSP "Human Ppar Gamma Ligand Binding Domain In Complex With A Gamma Selective Agonist Mekt28" 99.28 286 100.00 100.00 0.00e+00 PDB 3WJ4 "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Tributyltin" 100.00 276 98.91 98.91 0.00e+00 PDB 3WJ5 "Crystal Structure Of Ppargamma Ligand Binding Domain In Complex With Triphenyltin" 100.00 276 98.91 98.91 0.00e+00 PDB 3WMH "Human Pprr Gamma Ligand Binding Domain In Complex With A Gammma Selective Synthetic Partial Agonist Mekt75" 99.28 286 100.00 100.00 0.00e+00 PDB 3X1H "Hppargamma Ligand Binding Domain In Complex With 5-oxo- Tricosahexaenoic Acid" 100.00 276 99.64 99.64 0.00e+00 PDB 3X1I "Hppargamma Ligand Binding Domain In Complex With 6-oxo- Tetracosahexaenoic Acid" 100.00 276 99.64 99.64 0.00e+00 PDB 4A4V "Ligand Binding Domain Of Human Ppar Gamma In Complex With Amorfrutin 2" 99.64 287 100.00 100.00 0.00e+00 PDB 4A4W "Ligand Binding Domain Of Human Ppar Gamma In Complex With Amorfrutin 2" 99.64 287 100.00 100.00 0.00e+00 PDB 4CI5 "Structural Basis For Gl479 A Dual Peroxisome Proliferator- Activated Receptor Gamma Agonist" 98.55 272 100.00 100.00 0.00e+00 PDB 4E4K "Crystal Structure Of Ppargamma With The Ligand Jo21" 99.64 287 100.00 100.00 0.00e+00 PDB 4E4Q "Crystal Structure Of Ppargamma With The Ligand Fs214" 99.64 287 100.00 100.00 0.00e+00 PDB 4EM9 "Human Ppar Gamma In Complex With Nonanoic Acids" 98.19 275 100.00 100.00 0.00e+00 PDB 4EMA "Human Peroxisome Proliferator-activated Receptor Gamma In Complex With Rosiglitazone" 98.19 275 100.00 100.00 0.00e+00 PDB 4F9M "Crystal Structure Of The Ppargamma-Lbd Complexed With A Cercosporamide Derivative Modulator" 98.91 283 99.63 99.63 0.00e+00 PDB 4FGY "Identification Of A Unique Ppar Ligand With An Unexpected Binding Mode And Antibetic Activity" 97.83 270 100.00 100.00 0.00e+00 PDB 4HEE "Crystal Structure Of Ppargamma In Complex With Compound 13" 98.19 282 100.00 100.00 0.00e+00 PDB 4JAZ "Crystal Structure Of The Complex Between Ppargamma Lbd And Trans- Resveratrol" 99.64 287 100.00 100.00 0.00e+00 PDB 4JL4 "Crystal Structure Of The Complex Between Ppargamma Lbd And The Ligand Lj570 [(2s)-3-(biphenyl-4-yl)-2-(biphenyl-4-yloxy)propano" 99.64 287 100.00 100.00 0.00e+00 PDB 4L96 "Structure Of The Complex Between The F360l Ppargamma Mutant And The Ligand Lt175 (space Group I222)" 98.19 275 99.63 99.63 0.00e+00 PDB 4L98 "Crystal Structure Of The Complex Of F360l Ppargamma Mutant With The Ligand Lt175" 98.19 275 99.63 99.63 0.00e+00 PDB 4O8F "Crystal Structure Of The Complex Between Ppargamma Mutant R357a And Rosiglitazone" 99.64 287 99.64 99.64 0.00e+00 PDB 4OJ4 "Crystal Structure Of V290m Ppargamma Mutant In Complex With Diclofenac" 99.28 278 99.64 100.00 0.00e+00 PDB 4PRG "0072 Partial Agonist Ppar Gamma Cocrystal" 97.83 270 100.00 100.00 0.00e+00 PDB 4PVU "Crystal Structure Of The Complex Between Ppargamma-lbd And The R Enantiomer Of Mbx-102 (metaglidasen)" 99.64 287 100.00 100.00 0.00e+00 PDB 4PWL "Crystal Structure Of The Complex Between Ppargamma-lbd And The S Enantiomer Of Mbx-102 (metaglidasen)" 99.64 287 100.00 100.00 0.00e+00 PDB 4R2U "Crystal Structure Of Ppargamma In Complex With Sr1664" 99.64 275 100.00 100.00 0.00e+00 PDB 4R6S "Crystal Structure Of Ppargammma In Complex With Sr1663" 99.64 275 99.64 99.64 0.00e+00 PDB 4XLD "Crystal Structure Of The Human Pparg-lbd/rosiglitazone Complex Obtained By Dry Co-crystallization And In Situ Diffraction" 99.64 296 100.00 100.00 0.00e+00 PDB 4XTA "Mechanisms Of Ppargamma Activation By Non-steroidal Anti-inflammatory Drugs" 99.28 278 100.00 100.00 0.00e+00 PDB 4XUM "Ppargamma Ligand Binding Domain In Complex With Indomethacin" 99.28 278 100.00 100.00 0.00e+00 PDB 4Y29 "Identification Of A Novel Pparg Ligand That Regulates Metabolism" 97.46 269 100.00 100.00 0.00e+00 DBJ BAA18949 "PPAR gamma2 [Homo sapiens]" 100.00 506 99.64 99.64 0.00e+00 DBJ BAA23354 "peroxisome proliferator activated-receptor gamma [Homo sapiens]" 99.64 474 98.91 98.91 0.00e+00 DBJ BAA32540 "PPAR-gamma protein [Rattus norvegicus]" 99.64 475 98.55 99.64 0.00e+00 DBJ BAA36485 "PPAR gamma2 [Rattus norvegicus]" 99.64 505 98.55 99.64 0.00e+00 DBJ BAD20642 "peroxisome proliferator-activated receptor gamma 1a [Sus scrofa]" 99.64 475 99.64 100.00 0.00e+00 EMBL CAA07224 "peroxisome proliferator-cctivated receptor gamma 1 [Sus scrofa]" 99.64 475 98.91 99.64 0.00e+00 EMBL CAA07225 "peroxisome proliferator-activated receptor-gamma 2 [Sus scrofa]" 99.64 504 98.91 99.64 0.00e+00 EMBL CAA62152 "peroxisome proliferator activated receptor gamma [Homo sapiens]" 99.64 477 100.00 100.00 0.00e+00 EMBL CAA62153 "peroxisome proliferator activated receptor gamma [Homo sapiens]" 99.64 475 100.00 100.00 0.00e+00 EMBL CAA73032 "peroxisome proliferator activated receptor gamma 1 [Bos taurus]" 99.64 475 98.91 99.64 0.00e+00 GB AAA19971 "peroxisome proliferator-activated receptor gamma [Mus musculus]" 99.64 475 98.55 99.64 0.00e+00 GB AAA62110 "PPAR gamma [Mus musculus]" 99.64 475 97.45 98.91 0.00e+00 GB AAA62277 "peroxisome proliferator activated protein-gamma-2 [Mus musculus]" 99.64 505 98.18 99.64 0.00e+00 GB AAA80314 "peroxisome proliferator activated receptor gamma [Homo sapiens]" 99.64 477 100.00 100.00 0.00e+00 GB AAB04028 "peroxisome proliferator activated receptor gamma 2 [Homo sapiens]" 99.64 505 100.00 100.00 0.00e+00 PIR JE0279 "peroxisome proliferator-activated receptor gamma 1 - pig" 99.64 475 98.91 99.64 0.00e+00 REF NP_001019803 "peroxisome proliferator-activated receptor gamma [Canis lupus familiaris]" 99.64 505 100.00 100.00 0.00e+00 REF NP_001028032 "peroxisome proliferator-activated receptor gamma [Macaca mulatta]" 99.64 505 100.00 100.00 0.00e+00 REF NP_001075617 "peroxisome proliferator-activated receptor gamma [Oryctolagus cuniculus]" 99.64 475 98.91 100.00 0.00e+00 REF NP_001094391 "peroxisome proliferator-activated receptor gamma [Ovis aries]" 99.64 475 98.91 99.64 0.00e+00 REF NP_001106647 "peroxisome proliferator-activated receptor gamma [Felis catus]" 99.64 505 99.27 99.64 0.00e+00 SP O18924 "RecName: Full=Peroxisome proliferator-activated receptor gamma; Short=PPAR-gamma; AltName: Full=Nuclear receptor subfamily 1 gr" 99.64 505 100.00 100.00 0.00e+00 SP O18971 "RecName: Full=Peroxisome proliferator-activated receptor gamma; Short=PPAR-gamma; AltName: Full=Nuclear receptor subfamily 1 gr" 99.64 505 98.91 99.64 0.00e+00 SP O19052 "RecName: Full=Peroxisome proliferator-activated receptor gamma; Short=PPAR-gamma; AltName: Full=Nuclear receptor subfamily 1 gr" 99.64 475 98.91 100.00 0.00e+00 SP O62807 "RecName: Full=Peroxisome proliferator-activated receptor gamma; Short=PPAR-gamma; AltName: Full=Nuclear receptor subfamily 1 gr" 99.64 504 99.64 100.00 0.00e+00 SP O88275 "RecName: Full=Peroxisome proliferator-activated receptor gamma; Short=PPAR-gamma; AltName: Full=Nuclear receptor subfamily 1 gr" 99.64 505 98.55 99.64 0.00e+00 TPG DAA16769 "TPA: peroxisome proliferator-activated receptor gamma [Bos taurus]" 99.64 505 98.91 99.64 0.00e+00 stop_ save_ ############# # Ligands # ############# save_240 _Saveframe_category ligand _Mol_type non-polymer _Name_common "240 ((2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID)" _BMRB_code . _PDB_code 240 _Molecular_mass 527.488 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 19 11:17:09 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons OAD OAD O . 0 . ? CAY CAY C . 0 . ? OAF OAF O . 0 . ? CBJ CBJ C . 0 . ? CAC CAC C . 0 . ? OAW OAW O . 0 . ? CBF CBF C . 0 . ? CAO CAO C . 0 . ? CAK CAK C . 0 . ? CAJ CAJ C . 0 . ? CAN CAN C . 0 . ? CBE CBE C . 0 . ? CAU CAU C . 0 . ? CBG CBG C . 0 . ? CBA CBA C . 0 . ? CAB CAB C . 0 . ? CBH CBH C . 0 . ? CAT CAT C . 0 . ? CBC CBC C . 0 . ? OAX OAX O . 0 . ? CBL CBL C . 0 . ? FAG FAG F . 0 . ? FAI FAI F . 0 . ? FAH FAH F . 0 . ? CAR CAR C . 0 . ? CAS CAS C . 0 . ? CBI CBI C . 0 . ? NBK NBK N . 0 . ? CAZ CAZ C . 0 . ? OAE OAE O . 0 . ? CBD CBD C . 0 . ? CAQ CAQ C . 0 . ? CAM CAM C . 0 . ? CAP CAP C . 0 . ? CAL CAL C . 0 . ? CBB CBB C . 0 . ? OAV OAV O . 0 . ? CAA CAA C . 0 . ? HOAD HOAD H . 0 . ? HBJ HBJ H . 0 . ? HAC1 HAC1 H . 0 . ? HAC2 HAC2 H . 0 . ? HAC3 HAC3 H . 0 . ? HAO HAO H . 0 . ? HAK HAK H . 0 . ? HAJ HAJ H . 0 . ? HAN HAN H . 0 . ? HAU1 HAU1 H . 0 . ? HAU2 HAU2 H . 0 . ? HAB1 HAB1 H . 0 . ? HAB2 HAB2 H . 0 . ? HAB3 HAB3 H . 0 . ? HAT HAT H . 0 . ? HAR HAR H . 0 . ? HAS HAS H . 0 . ? HAQ HAQ H . 0 . ? HAM HAM H . 0 . ? HAP HAP H . 0 . ? HAL HAL H . 0 . ? HAA1 HAA1 H . 0 . ? HAA2 HAA2 H . 0 . ? HAA3 HAA3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING OAD CAY ? ? SING OAD HOAD ? ? DOUB CAY OAF ? ? SING CAY CBJ ? ? SING CBJ CAC ? ? SING CBJ OAW ? ? SING CBJ HBJ ? ? SING CAC HAC1 ? ? SING CAC HAC2 ? ? SING CAC HAC3 ? ? SING OAW CBF ? ? SING CBF CAO ? ? DOUB CBF CBE ? ? DOUB CAO CAK ? ? SING CAO HAO ? ? SING CAK CAJ ? ? SING CAK HAK ? ? DOUB CAJ CAN ? ? SING CAJ HAJ ? ? SING CAN CBE ? ? SING CAN HAN ? ? SING CBE CAU ? ? SING CAU CBG ? ? SING CAU HAU1 ? ? SING CAU HAU2 ? ? DOUB CBG CBA ? ? SING CBG CBH ? ? SING CBA CAB ? ? SING CBA NBK ? ? SING CAB HAB1 ? ? SING CAB HAB2 ? ? SING CAB HAB3 ? ? DOUB CBH CBI ? ? SING CBH CAT ? ? DOUB CAT CBC ? ? SING CAT HAT ? ? SING CBC CAR ? ? SING CBC OAX ? ? SING OAX CBL ? ? SING CBL FAH ? ? SING CBL FAI ? ? SING CBL FAG ? ? DOUB CAR CAS ? ? SING CAR HAR ? ? SING CAS CBI ? ? SING CAS HAS ? ? SING CBI NBK ? ? SING NBK CAZ ? ? SING CAZ CBD ? ? DOUB CAZ OAE ? ? DOUB CBD CAP ? ? SING CBD CAQ ? ? DOUB CAQ CAM ? ? SING CAQ HAQ ? ? SING CAM CBB ? ? SING CAM HAM ? ? SING CAP CAL ? ? SING CAP HAP ? ? DOUB CAL CBB ? ? SING CAL HAL ? ? SING CBB OAV ? ? SING OAV CAA ? ? SING CAA HAA1 ? ? SING CAA HAA2 ? ? SING CAA HAA3 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PPARgamma_LBD Human 9606 Eukaryota Metazoa Homo sapiens 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 $PPARgamma_LBD 'recombinant technology' . Escherichia coli . pET-46 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 $PPARgamma_LBD 1 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' $240 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_TROSY-HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _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-HN(CA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_1H-15N_TROSY-NOESY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TROSY-NOESY-HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . 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' 50 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . 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 water C 13 protons ppm 4.7 na indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 na 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 '3D TROSY-HNCO' '3D TROSY-HNCA' '3D TROSY-HN(CO)CA' '3D TROSY-HN(CA)CB' '3D TROSY-HN(COCA)CB' '3D 1H-15N TROSY-NOESY-HSQC' 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 PPARgamma_LBD _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 1 203 2 GLN C C 175.8442 0.0000 1 2 203 2 GLN CA C 55.4275 0.0000 1 3 203 2 GLN CB C 28.8255 0.0000 1 4 204 3 LEU H H 8.3775 0.0000 1 5 204 3 LEU C C 176.6573 0.0000 1 6 204 3 LEU CA C 54.6315 0.0000 1 7 204 3 LEU CB C 41.5397 0.0000 1 8 204 3 LEU N N 124.0705 0.0000 1 9 205 4 ASN H H 8.4683 0.0000 1 10 205 4 ASN CA C 51.0390 0.0000 1 11 205 4 ASN CB C 38.0100 0.0000 1 12 205 4 ASN N N 121.2242 0.0000 1 13 206 5 PRO C C 177.2468 0.0000 1 14 206 5 PRO CA C 63.4019 0.0000 1 15 206 5 PRO CB C 31.1456 0.0000 1 16 207 6 GLU H H 8.5840 0.0000 1 17 207 6 GLU C C 177.3982 0.0000 1 18 207 6 GLU CA C 56.3178 0.0000 1 19 207 6 GLU CB C 28.8197 0.0000 1 20 207 6 GLU N N 120.1540 0.0000 1 21 208 7 SER H H 8.2213 0.0000 1 22 208 7 SER C C 175.3121 0.0000 1 23 208 7 SER CA C 59.5166 0.0000 1 24 208 7 SER CB C 62.9667 0.0000 1 25 208 7 SER N N 117.3039 0.0000 1 26 209 8 ALA H H 8.3612 0.0000 1 27 209 8 ALA C C 179.5364 0.0000 1 28 209 8 ALA CA C 53.9469 0.0000 1 29 209 8 ALA CB C 17.7475 0.0000 1 30 209 8 ALA N N 124.9927 0.0000 1 31 210 9 ASP H H 7.9641 0.0000 1 32 210 9 ASP C C 178.6313 0.0000 1 33 210 9 ASP CA C 55.3442 0.0000 1 34 210 9 ASP CB C 39.7826 0.0000 1 35 210 9 ASP N N 119.3690 0.0000 1 36 211 10 LEU H H 8.0427 0.0000 1 37 211 10 LEU C C 181.3274 0.0000 1 38 211 10 LEU CA C 57.2473 0.0000 1 39 211 10 LEU CB C 41.5873 0.0000 1 40 211 10 LEU N N 122.7767 0.0000 1 41 212 11 ARG H H 8.2715 0.0000 1 42 212 11 ARG C C 179.1171 0.0000 1 43 212 11 ARG CA C 56.9331 0.0000 1 44 212 11 ARG CB C 26.7391 0.0000 1 45 212 11 ARG N N 120.9254 0.0000 1 46 213 12 ALA H H 8.1335 0.0000 1 47 213 12 ALA C C 180.8855 0.0000 1 48 213 12 ALA CA C 54.5801 0.0000 1 49 213 12 ALA CB C 16.8739 0.0000 1 50 213 12 ALA N N 125.1387 0.0000 1 51 214 13 LEU H H 7.9256 0.0000 1 52 214 13 LEU C C 177.9325 0.0000 1 53 214 13 LEU CA C 57.3621 0.0000 1 54 214 13 LEU CB C 40.5836 0.0000 1 55 214 13 LEU N N 121.6960 0.0000 1 56 215 14 ALA H H 7.5152 0.0000 1 57 215 14 ALA C C 179.7243 0.0000 1 58 215 14 ALA CA C 55.5960 0.0000 1 59 215 14 ALA CB C 18.1044 0.0000 1 60 215 14 ALA N N 120.4172 0.0000 1 61 216 15 LYS H H 7.8831 0.0000 1 62 216 15 LYS C C 177.5487 0.0000 1 63 216 15 LYS CA C 58.6886 0.0000 1 64 216 15 LYS CB C 31.3195 0.0000 1 65 216 15 LYS N N 120.0783 0.0000 1 66 217 16 HIS H H 8.3195 0.0000 1 67 217 16 HIS C C 179.4288 0.0000 1 68 217 16 HIS CA C 59.7389 0.0000 1 69 217 16 HIS CB C 30.4069 0.0000 1 70 217 16 HIS N N 120.3833 0.0000 1 71 218 17 LEU H H 8.4423 0.0000 1 72 218 17 LEU C C 178.5143 0.0000 1 73 218 17 LEU CA C 57.3342 0.0000 1 74 218 17 LEU CB C 38.5671 0.0000 1 75 218 17 LEU N N 119.2190 0.0000 1 76 219 18 TYR H H 8.2530 0.0000 1 77 219 18 TYR C C 176.7073 0.0000 1 78 219 18 TYR CA C 60.4047 0.0000 1 79 219 18 TYR CB C 36.7949 0.0000 1 80 219 18 TYR N N 120.7621 0.0000 1 81 220 19 ASP H H 8.7362 0.0000 1 82 220 19 ASP C C 179.7182 0.0000 1 83 220 19 ASP CA C 57.0825 0.0000 1 84 220 19 ASP CB C 39.2448 0.0000 1 85 220 19 ASP N N 119.7749 0.0000 1 86 221 20 SER H H 7.9774 0.0000 1 87 221 20 SER C C 176.4294 0.0000 1 88 221 20 SER CA C 60.8622 0.0000 1 89 221 20 SER N N 115.7225 0.0000 1 90 222 21 TYR H H 9.0968 0.0000 1 91 222 21 TYR C C 176.4867 0.0000 1 92 222 21 TYR CA C 60.8327 0.0000 1 93 222 21 TYR N N 129.2934 0.0000 1 94 223 22 ILE H H 8.3479 0.0000 1 95 223 22 ILE C C 178.8645 0.0000 1 96 223 22 ILE CA C 61.5616 0.0000 1 97 223 22 ILE CB C 35.5448 0.0000 1 98 223 22 ILE N N 118.0134 0.0000 1 99 224 23 LYS H H 7.1667 0.0000 1 100 224 23 LYS C C 178.0351 0.0000 1 101 224 23 LYS CA C 58.0184 0.0000 1 102 224 23 LYS CB C 31.8853 0.0000 1 103 224 23 LYS N N 118.6211 0.0000 1 104 225 24 SER H H 7.4962 0.0000 1 105 225 24 SER C C 172.6301 0.0000 1 106 225 24 SER CA C 61.2688 0.0000 1 107 225 24 SER CB C 63.7824 0.0000 1 108 225 24 SER N N 114.9000 0.0000 1 109 226 25 PHE H H 7.3405 0.0000 1 110 226 25 PHE CA C 53.2612 0.0000 1 111 226 25 PHE N N 118.6723 0.0000 1 112 227 26 PRO C C 177.8574 0.0000 1 113 227 26 PRO CA C 64.0208 0.0000 1 114 227 26 PRO CB C 31.4911 0.0000 1 115 228 27 LEU H H 7.9073 0.0000 1 116 228 27 LEU C C 174.5589 0.0000 1 117 228 27 LEU CA C 53.2276 0.0000 1 118 228 27 LEU CB C 39.8537 0.0000 1 119 229 28 THR H H 6.7254 0.0000 1 120 229 28 THR C C 173.7834 0.0000 1 121 229 28 THR CA C 59.5758 0.0000 1 122 229 28 THR CB C 69.4507 0.0000 1 123 229 28 THR N N 114.3154 0.0000 1 124 230 29 LYS H H 10.3985 0.0000 1 125 230 29 LYS C C 179.1726 0.0000 1 126 230 29 LYS CA C 60.8773 0.0000 1 127 230 29 LYS CB C 31.0731 0.0000 1 128 230 29 LYS N N 125.6837 0.0000 1 129 231 30 ALA H H 9.2095 0.0000 1 130 231 30 ALA C C 181.6523 0.0000 1 131 231 30 ALA CA C 54.8015 0.0000 1 132 231 30 ALA CB C 17.2933 0.0000 1 133 231 30 ALA N N 120.7378 0.0000 1 134 232 31 LYS H H 7.5885 0.0000 1 135 232 31 LYS C C 178.8044 0.0000 1 136 232 31 LYS CA C 58.8630 0.0000 1 137 232 31 LYS CB C 32.1270 0.0000 1 138 232 31 LYS N N 118.7964 0.0000 1 139 233 32 ALA H H 8.4943 0.0000 1 140 233 32 ALA C C 179.9192 0.0000 1 141 233 32 ALA CA C 55.0689 0.0000 1 142 233 32 ALA CB C 18.3793 0.0000 1 143 233 32 ALA N N 122.7058 0.0000 1 144 234 33 ARG H H 9.1842 0.0000 1 145 234 33 ARG C C 179.6460 0.0000 1 146 234 33 ARG CA C 57.5666 0.0000 1 147 234 33 ARG CB C 27.2829 0.0000 1 148 234 33 ARG N N 115.7369 0.0000 1 149 235 34 ALA H H 7.4755 0.0000 1 150 235 34 ALA C C 179.6889 0.0000 1 151 235 34 ALA CA C 54.8157 0.0000 1 152 235 34 ALA CB C 16.9575 0.0000 1 153 235 34 ALA N N 123.1267 0.0000 1 154 236 35 ILE H H 7.4949 0.0000 1 155 236 35 ILE C C 179.2430 0.0000 1 156 236 35 ILE CA C 64.5347 0.0000 1 157 236 35 ILE CB C 37.4381 0.0000 1 158 236 35 ILE N N 118.8932 0.0000 1 159 237 36 LEU H H 8.3026 0.0000 1 160 237 36 LEU C C 178.7570 0.0000 1 161 237 36 LEU CA C 57.0336 0.0000 1 162 237 36 LEU CB C 41.7350 0.0000 1 163 237 36 LEU N N 119.0069 0.0000 1 164 238 37 THR H H 7.8279 0.0000 1 165 238 37 THR C C 175.5481 0.0000 1 166 238 37 THR CA C 62.0456 0.0000 1 167 238 37 THR CB C 69.7399 0.0000 1 168 238 37 THR N N 109.2762 0.0000 1 169 239 38 GLY H H 7.4776 0.0000 1 170 239 38 GLY C C 174.7588 0.0000 1 171 239 38 GLY CA C 45.9173 0.0000 1 172 239 38 GLY N N 110.5482 0.0000 1 173 240 39 LYS H H 8.2208 0.0000 1 174 240 39 LYS C C 176.9075 0.0000 1 175 240 39 LYS CA C 55.5174 0.0000 1 176 240 39 LYS CB C 31.5806 0.0000 1 177 240 39 LYS N N 120.6130 0.0000 1 178 241 40 THR H H 7.8013 0.0000 1 179 241 40 THR CA C 60.6595 0.0000 1 180 241 40 THR CB C 68.9705 0.0000 1 181 241 40 THR N N 113.3482 0.0000 1 182 243 42 ASP C C 175.7551 0.0000 1 183 243 42 ASP CA C 54.4091 0.0000 1 184 243 42 ASP CB C 40.4036 0.0000 1 185 244 43 LYS H H 7.9186 0.0000 1 186 244 43 LYS C C 176.0253 0.0000 1 187 244 43 LYS CA C 55.1527 0.0000 1 188 244 43 LYS N N 119.7225 0.0000 1 189 245 44 SER H H 8.0633 0.0000 1 190 245 44 SER N N 119.4464 0.0000 1 191 296 95 ILE C C 177.2414 0.0000 1 192 296 95 ILE CA C 65.0474 0.0000 1 193 296 95 ILE CB C 37.5630 0.0000 1 194 297 96 THR H H 8.1880 0.0000 1 195 297 96 THR C C 175.4190 0.0000 1 196 297 96 THR CA C 67.2935 0.0000 1 197 297 96 THR CB C 68.1259 0.0000 1 198 297 96 THR N N 117.7876 0.0000 1 199 298 97 GLU H H 7.6669 0.0000 1 200 298 97 GLU C C 179.5171 0.0000 1 201 298 97 GLU CA C 58.7359 0.0000 1 202 298 97 GLU CB C 28.0308 0.0000 1 203 298 97 GLU N N 120.9373 0.0000 1 204 299 98 TYR H H 8.0471 0.0000 1 205 299 98 TYR CA C 61.1083 0.0000 1 206 299 98 TYR CB C 38.0217 0.0000 1 207 299 98 TYR N N 121.4379 0.0000 1 208 300 99 ALA C C 178.2973 0.0000 1 209 300 99 ALA CA C 53.9237 0.0000 1 210 300 99 ALA CB C 16.7918 0.0000 1 211 301 100 LYS H H 7.2064 0.0000 1 212 301 100 LYS C C 178.2219 0.0000 1 213 301 100 LYS CA C 58.3998 0.0000 1 214 301 100 LYS CB C 31.1788 0.0000 1 215 301 100 LYS N N 111.4670 0.0000 1 216 302 101 SER H H 7.8311 0.0000 1 217 302 101 SER C C 175.0586 0.0000 1 218 302 101 SER CA C 58.6305 0.0000 1 219 302 101 SER CB C 63.8471 0.0000 1 220 302 101 SER N N 116.6692 0.0000 1 221 303 102 ILE H H 7.6930 0.0000 1 222 303 102 ILE CA C 60.1872 0.0000 1 223 303 102 ILE N N 128.4289 0.0000 1 224 304 103 PRO C C 176.2215 0.0000 1 225 304 103 PRO CA C 64.6947 0.0000 1 226 304 103 PRO CB C 30.2182 0.0000 1 227 305 104 GLY H H 8.6082 0.0000 1 228 305 104 GLY C C 176.5889 0.0000 1 229 305 104 GLY CA C 44.8984 0.0000 1 230 305 104 GLY N N 112.4237 0.0000 1 231 306 105 PHE H H 8.2523 0.0000 1 232 306 105 PHE C C 177.0345 0.0000 1 233 306 105 PHE CA C 62.5955 0.0000 1 234 306 105 PHE CB C 40.1045 0.0000 1 235 306 105 PHE N N 124.5092 0.0000 1 236 307 106 VAL H H 8.2358 0.0000 1 237 307 106 VAL C C 175.9554 0.0000 1 238 307 106 VAL CA C 62.9315 0.0000 1 239 307 106 VAL CB C 30.1275 0.0000 1 240 307 106 VAL N N 107.3777 0.0000 1 241 308 107 ASN H H 7.0413 0.0000 1 242 308 107 ASN C C 175.8583 0.0000 1 243 308 107 ASN CA C 52.4496 0.0000 1 244 308 107 ASN CB C 38.5890 0.0000 1 245 308 107 ASN N N 116.6180 0.0000 1 246 309 108 LEU H H 7.1526 0.0000 1 247 309 108 LEU C C 177.5479 0.0000 1 248 309 108 LEU CA C 53.7271 0.0000 1 249 309 108 LEU CB C 40.9946 0.0000 1 250 309 108 LEU N N 120.9755 0.0000 1 251 310 109 ASP H H 9.0761 0.0000 1 252 310 109 ASP C C 177.5661 0.0000 1 253 310 109 ASP CA C 55.1152 0.0000 1 254 310 109 ASP CB C 42.5090 0.0000 1 255 310 109 ASP N N 124.2487 0.0000 1 256 311 110 LEU H H 8.5803 0.0000 1 257 311 110 LEU C C 179.0621 0.0000 1 258 311 110 LEU CA C 58.3866 0.0000 1 259 311 110 LEU CB C 41.1626 0.0000 1 260 311 110 LEU N N 128.3699 0.0000 1 261 312 111 ASN H H 8.6652 0.0000 1 262 312 111 ASN C C 178.0160 0.0000 1 263 312 111 ASN CA C 56.1824 0.0000 1 264 312 111 ASN CB C 37.4381 0.0000 1 265 312 111 ASN N N 115.6564 0.0000 1 266 313 112 ASP H H 7.5288 0.0000 1 267 313 112 ASP C C 177.8142 0.0000 1 268 313 112 ASP CA C 57.0269 0.0000 1 269 313 112 ASP CB C 38.7578 0.0000 1 270 313 112 ASP N N 120.9772 0.0000 1 271 314 113 GLN H H 7.9812 0.0000 1 272 314 113 GLN C C 178.1595 0.0000 1 273 314 113 GLN CA C 59.9725 0.0000 1 274 314 113 GLN CB C 28.0221 0.0000 1 275 314 113 GLN N N 119.7151 0.0000 1 276 315 114 VAL H H 7.4204 0.0000 1 277 315 114 VAL C C 179.2862 0.0000 1 278 315 114 VAL CA C 66.2370 0.0000 1 279 315 114 VAL CB C 30.7975 0.0000 1 280 315 114 VAL N N 117.0318 0.0000 1 281 316 115 THR H H 8.3190 0.0000 1 282 316 115 THR C C 175.9612 0.0000 1 283 316 115 THR CA C 66.6524 0.0000 1 284 316 115 THR CB C 68.1021 0.0000 1 285 316 115 THR N N 120.8439 0.0000 1 286 317 116 LEU H H 8.8678 0.0000 1 287 317 116 LEU CA C 57.6812 0.0000 1 288 317 116 LEU N N 120.0570 0.0000 1 289 319 118 LYS C C 176.4026 0.0000 1 290 319 118 LYS CA C 59.8391 0.0000 1 291 319 118 LYS CB C 32.3600 0.0000 1 292 320 119 TYR H H 7.3400 0.0000 1 293 320 119 TYR C C 177.3573 0.0000 1 294 320 119 TYR CA C 59.9408 0.0000 1 295 320 119 TYR CB C 39.0016 0.0000 1 296 320 119 TYR N N 109.5280 0.0000 1 297 321 120 GLY H H 7.9698 0.0000 1 298 321 120 GLY C C 176.1266 0.0000 1 299 321 120 GLY CA C 45.9741 0.0000 1 300 321 120 GLY N N 105.4757 0.0000 1 301 322 121 VAL H H 8.2562 0.0000 1 302 322 121 VAL CA C 67.7433 0.0000 1 303 322 121 VAL CB C 28.6367 0.0000 1 304 322 121 VAL N N 116.5920 0.0000 1 305 328 127 THR C C 176.0053 0.0000 1 306 328 127 THR CA C 62.5808 0.0000 1 307 329 128 MET H H 8.6895 0.0000 1 308 329 128 MET C C 179.4232 0.0000 1 309 329 128 MET CA C 56.5979 0.0000 1 310 329 128 MET N N 121.4403 0.0000 1 311 330 129 LEU H H 8.8125 0.0000 1 312 330 129 LEU CA C 56.4156 0.0000 1 313 330 129 LEU CB C 41.6704 0.0000 1 314 330 129 LEU N N 123.2532 0.0000 1 315 331 130 ALA C C 179.3208 0.0000 1 316 331 130 ALA CA C 55.3005 0.0000 1 317 331 130 ALA CB C 16.0895 0.0000 1 318 332 131 SER H H 7.1266 0.0000 1 319 332 131 SER C C 173.8036 0.0000 1 320 332 131 SER CA C 60.5732 0.0000 1 321 332 131 SER CB C 63.0421 0.0000 1 322 332 131 SER N N 112.1755 0.0000 1 323 333 132 LEU H H 7.5758 0.0000 1 324 333 132 LEU C C 175.1847 0.0000 1 325 333 132 LEU CA C 53.5788 0.0000 1 326 333 132 LEU CB C 40.7938 0.0000 1 327 333 132 LEU N N 116.4498 0.0000 1 328 334 133 MET H H 7.2633 0.0000 1 329 334 133 MET C C 177.0152 0.0000 1 330 334 133 MET CA C 55.1985 0.0000 1 331 334 133 MET CB C 36.9352 0.0000 1 332 334 133 MET N N 115.9235 0.0000 1 333 335 134 ASN H H 8.7842 0.0000 1 334 335 134 ASN C C 175.3633 0.0000 1 335 335 134 ASN CA C 51.4433 0.0000 1 336 335 134 ASN CB C 39.7576 0.0000 1 337 335 134 ASN N N 118.2906 0.0000 1 338 336 135 LYS H H 8.3115 0.0000 1 339 336 135 LYS C C 175.9507 0.0000 1 340 336 135 LYS CA C 58.2514 0.0000 1 341 336 135 LYS CB C 30.9681 0.0000 1 342 336 135 LYS N N 113.0365 0.0000 1 343 337 136 ASP H H 8.3541 0.0000 1 344 337 136 ASP C C 177.8291 0.0000 1 345 337 136 ASP CA C 54.5027 0.0000 1 346 337 136 ASP CB C 42.6795 0.0000 1 347 337 136 ASP N N 116.0773 0.0000 1 348 338 137 GLY H H 8.1649 0.0000 1 349 338 137 GLY C C 168.6591 0.0000 1 350 338 137 GLY CA C 47.7610 0.0000 1 351 338 137 GLY N N 112.0227 0.0000 1 352 339 138 VAL H H 8.0757 0.0000 1 353 339 138 VAL C C 172.3398 0.0000 1 354 339 138 VAL CA C 57.1553 0.0000 1 355 339 138 VAL N N 116.8861 0.0000 1 356 340 139 LEU H H 8.4783 0.0000 1 357 340 139 LEU CA C 54.9069 0.0000 1 358 340 139 LEU N N 127.4743 0.0000 1 359 344 143 GLY C C 173.2700 0.0000 1 360 344 143 GLY CA C 44.8995 0.0000 1 361 345 144 GLN H H 7.7531 0.0000 1 362 345 144 GLN C C 176.5396 0.0000 1 363 345 144 GLN CA C 57.0336 0.0000 1 364 345 144 GLN N N 116.8064 0.0000 1 365 346 145 GLY H H 8.0601 0.0000 1 366 346 145 GLY C C 171.2765 0.0000 1 367 346 145 GLY CA C 43.2100 0.0000 1 368 346 145 GLY N N 104.4257 0.0000 1 369 347 146 PHE H H 8.8720 0.0000 1 370 347 146 PHE C C 173.1308 0.0000 1 371 347 146 PHE CA C 56.2233 0.0000 1 372 347 146 PHE N N 123.0483 0.0000 1 373 348 147 MET H H 8.9817 0.0000 1 374 348 147 MET CA C 53.5501 0.0000 1 375 348 147 MET N N 128.3965 0.0000 1 376 349 148 THR C C 174.3829 0.0000 1 377 349 148 THR CA C 61.5349 0.0000 1 378 349 148 THR CB C 69.2108 0.0000 1 379 350 149 ARG H H 8.6109 0.0000 1 380 350 149 ARG C C 179.1137 0.0000 1 381 350 149 ARG CA C 58.4250 0.0000 1 382 350 149 ARG N N 126.4659 0.0000 1 383 351 150 GLU H H 8.4714 0.0000 1 384 351 150 GLU C C 178.5851 0.0000 1 385 351 150 GLU CA C 58.6590 0.0000 1 386 351 150 GLU CB C 28.4296 0.0000 1 387 351 150 GLU N N 117.6269 0.0000 1 388 352 151 PHE H H 7.9286 0.0000 1 389 352 151 PHE N N 121.8610 0.0000 1 390 354 153 LYS C C 177.2614 0.0000 1 391 354 153 LYS CA C 57.0264 0.0000 1 392 355 154 SER H H 7.5065 0.0000 1 393 355 154 SER C C 174.4758 0.0000 1 394 355 154 SER CA C 58.8308 0.0000 1 395 355 154 SER N N 114.3517 0.0000 1 396 356 155 LEU H H 6.8425 0.0000 1 397 356 155 LEU C C 176.5704 0.0000 1 398 356 155 LEU CA C 54.1660 0.0000 1 399 356 155 LEU CB C 41.2849 0.0000 1 400 356 155 LEU N N 122.9985 0.0000 1 401 357 156 ARG H H 8.5514 0.0000 1 402 357 156 ARG C C 176.8188 0.0000 1 403 357 156 ARG CA C 55.0942 0.0000 1 404 357 156 ARG CB C 28.7854 0.0000 1 405 357 156 ARG N N 119.3954 0.0000 1 406 358 157 LYS H H 8.6634 0.0000 1 407 358 157 LYS CA C 55.1500 0.0000 1 408 358 157 LYS CB C 30.2346 0.0000 1 409 358 157 LYS N N 124.0620 0.0000 1 410 359 158 PRO C C 175.7146 0.0000 1 411 359 158 PRO CA C 63.3459 0.0000 1 412 360 159 PHE H H 8.1849 0.0000 1 413 360 159 PHE C C 178.5628 0.0000 1 414 360 159 PHE CA C 61.5849 0.0000 1 415 360 159 PHE N N 124.5037 0.0000 1 416 361 160 GLY H H 7.3894 0.0000 1 417 361 160 GLY C C 174.7192 0.0000 1 418 361 160 GLY CA C 46.5889 0.0000 1 419 361 160 GLY N N 109.1217 0.0000 1 420 362 161 ASP H H 7.3764 0.0000 1 421 362 161 ASP C C 179.3639 0.0000 1 422 362 161 ASP CA C 53.2262 0.0000 1 423 362 161 ASP N N 118.8225 0.0000 1 424 363 162 PHE H H 7.9144 0.0000 1 425 363 162 PHE CA C 60.3180 0.0000 1 426 363 162 PHE N N 125.5560 0.0000 1 427 368 167 PHE C C 178.7059 0.0000 1 428 368 167 PHE CA C 62.1960 0.0000 1 429 369 168 GLU H H 8.2654 0.0000 1 430 369 168 GLU C C 179.8105 0.0000 1 431 369 168 GLU CA C 58.8633 0.0000 1 432 369 168 GLU N N 117.0494 0.0000 1 433 370 169 PHE H H 7.6315 0.0000 1 434 370 169 PHE C C 176.9823 0.0000 1 435 370 169 PHE CA C 60.7845 0.0000 1 436 370 169 PHE CB C 38.2204 0.0000 1 437 370 169 PHE N N 119.0532 0.0000 1 438 371 170 ALA H H 8.4955 0.0000 1 439 371 170 ALA C C 179.1782 0.0000 1 440 371 170 ALA CA C 55.5956 0.0000 1 441 371 170 ALA CB C 20.2517 0.0000 1 442 371 170 ALA N N 123.0195 0.0000 1 443 372 171 VAL H H 8.3741 0.0000 1 444 372 171 VAL C C 179.6628 0.0000 1 445 372 171 VAL CA C 65.9275 0.0000 1 446 372 171 VAL CB C 30.9928 0.0000 1 447 372 171 VAL N N 115.9761 0.0000 1 448 373 172 LYS H H 6.7196 0.0000 1 449 373 172 LYS C C 178.7593 0.0000 1 450 373 172 LYS CA C 58.2359 0.0000 1 451 373 172 LYS N N 118.6508 0.0000 1 452 374 173 PHE H H 8.7385 0.0000 1 453 374 173 PHE C C 179.3419 0.0000 1 454 374 173 PHE CA C 61.6224 0.0000 1 455 374 173 PHE CB C 39.5563 0.0000 1 456 374 173 PHE N N 123.3285 0.0000 1 457 375 174 ASN H H 9.4625 0.0000 1 458 375 174 ASN C C 178.8485 0.0000 1 459 375 174 ASN CA C 54.2907 0.0000 1 460 375 174 ASN CB C 36.4976 0.0000 1 461 375 174 ASN N N 119.5018 0.0000 1 462 376 175 ALA H H 6.9667 0.0000 1 463 376 175 ALA C C 178.1519 0.0000 1 464 376 175 ALA CA C 53.2787 0.0000 1 465 376 175 ALA CB C 16.8485 0.0000 1 466 376 175 ALA N N 123.1166 0.0000 1 467 377 176 LEU H H 7.1953 0.0000 1 468 377 176 LEU C C 175.9304 0.0000 1 469 377 176 LEU CA C 55.4070 0.0000 1 470 377 176 LEU CB C 39.4409 0.0000 1 471 377 176 LEU N N 116.3396 0.0000 1 472 378 177 GLU H H 7.2620 0.0000 1 473 378 177 GLU C C 175.5242 0.0000 1 474 378 177 GLU CA C 56.0679 0.0000 1 475 378 177 GLU CB C 25.4858 0.0000 1 476 378 177 GLU N N 110.1202 0.0000 1 477 379 178 LEU H H 8.0466 0.0000 1 478 379 178 LEU C C 178.4322 0.0000 1 479 379 178 LEU CA C 54.6365 0.0000 1 480 379 178 LEU CB C 40.6133 0.0000 1 481 379 178 LEU N N 116.6103 0.0000 1 482 380 179 ASP H H 9.6176 0.0000 1 483 380 179 ASP C C 176.8164 0.0000 1 484 380 179 ASP CA C 51.1347 0.0000 1 485 380 179 ASP CB C 42.2654 0.0000 1 486 380 179 ASP N N 122.7988 0.0000 1 487 381 180 ASP H H 8.7839 0.0000 1 488 381 180 ASP C C 176.2269 0.0000 1 489 381 180 ASP CA C 58.6326 0.0000 1 490 381 180 ASP CB C 43.4704 0.0000 1 491 381 180 ASP N N 117.0876 0.0000 1 492 382 181 SER H H 8.1195 0.0000 1 493 382 181 SER C C 176.5462 0.0000 1 494 382 181 SER CA C 61.3787 0.0000 1 495 382 181 SER N N 115.9355 0.0000 1 496 383 182 ASP H H 7.5344 0.0000 1 497 383 182 ASP C C 179.1769 0.0000 1 498 383 182 ASP CA C 56.5322 0.0000 1 499 383 182 ASP CB C 42.5163 0.0000 1 500 383 182 ASP N N 122.9792 0.0000 1 501 384 183 LEU H H 8.5619 0.0000 1 502 384 183 LEU CB C 41.8495 0.0000 1 503 384 183 LEU N N 120.7599 0.0000 1 504 392 191 ILE C C 177.7797 0.0000 1 505 392 191 ILE CA C 64.8911 0.0000 1 506 393 192 LEU H H 7.4286 0.0000 1 507 393 192 LEU C C 173.3714 0.0000 1 508 393 192 LEU CA C 51.0609 0.0000 1 509 393 192 LEU N N 126.0449 0.0000 1 510 394 193 SER H H 6.8711 0.0000 1 511 394 193 SER C C 174.1909 0.0000 1 512 394 193 SER CA C 57.9043 0.0000 1 513 394 193 SER CB C 64.0649 0.0000 1 514 394 193 SER N N 114.1229 0.0000 1 515 395 194 GLY H H 8.6485 0.0000 1 516 395 194 GLY C C 172.6329 0.0000 1 517 395 194 GLY CA C 45.4160 0.0000 1 518 395 194 GLY N N 111.8612 0.0000 1 519 396 195 ASP H H 8.1546 0.0000 1 520 396 195 ASP C C 176.8796 0.0000 1 521 396 195 ASP CA C 51.8077 0.0000 1 522 396 195 ASP CB C 38.7490 0.0000 1 523 396 195 ASP N N 116.6628 0.0000 1 524 397 196 ARG H H 6.6072 0.0000 1 525 397 196 ARG CA C 52.0914 0.0000 1 526 397 196 ARG CB C 26.6203 0.0000 1 527 397 196 ARG N N 116.4464 0.0000 1 528 398 197 PRO C C 177.4542 0.0000 1 529 398 197 PRO CA C 62.7361 0.0000 1 530 398 197 PRO CB C 30.8889 0.0000 1 531 399 198 GLY H H 8.4072 0.0000 1 532 399 198 GLY C C 176.0707 0.0000 1 533 399 198 GLY CA C 45.0737 0.0000 1 534 399 198 GLY N N 107.6708 0.0000 1 535 400 199 LEU H H 6.7419 0.0000 1 536 400 199 LEU C C 177.2430 0.0000 1 537 400 199 LEU CA C 54.3116 0.0000 1 538 400 199 LEU CB C 42.1506 0.0000 1 539 400 199 LEU N N 120.0007 0.0000 1 540 401 200 LEU H H 11.5543 0.0000 1 541 401 200 LEU C C 178.8768 0.0000 1 542 401 200 LEU CA C 56.4175 0.0000 1 543 401 200 LEU CB C 41.3452 0.0000 1 544 401 200 LEU N N 127.9946 0.0000 1 545 402 201 ASN H H 8.9920 0.0000 1 546 402 201 ASN C C 174.6285 0.0000 1 547 402 201 ASN CA C 50.6881 0.0000 1 548 402 201 ASN CB C 37.7182 0.0000 1 549 402 201 ASN N N 120.1505 0.0000 1 550 403 202 VAL H H 8.3054 0.0000 1 551 403 202 VAL C C 177.6228 0.0000 1 552 403 202 VAL CA C 65.8508 0.0000 1 553 403 202 VAL CB C 31.7741 0.0000 1 554 403 202 VAL N N 122.3998 0.0000 1 555 404 203 LYS H H 8.2652 0.0000 1 556 404 203 LYS CB C 28.4548 0.0000 1 557 404 203 LYS N N 121.4454 0.0000 1 558 405 204 PRO C C 179.5267 0.0000 1 559 405 204 PRO CA C 65.1312 0.0000 1 560 405 204 PRO CB C 30.0644 0.0000 1 561 406 205 ILE H H 6.7472 0.0000 1 562 406 205 ILE C C 177.1243 0.0000 1 563 406 205 ILE CA C 64.8873 0.0000 1 564 406 205 ILE CB C 37.9122 0.0000 1 565 406 205 ILE N N 118.2377 0.0000 1 566 407 206 GLU H H 8.0381 0.0000 1 567 407 206 GLU C C 179.4044 0.0000 1 568 407 206 GLU CA C 58.9373 0.0000 1 569 407 206 GLU CB C 28.6491 0.0000 1 570 407 206 GLU N N 120.2675 0.0000 1 571 408 207 ASP H H 8.4352 0.0000 1 572 408 207 ASP C C 179.6033 0.0000 1 573 408 207 ASP CA C 57.1513 0.0000 1 574 408 207 ASP N N 118.9947 0.0000 1 575 409 208 ILE H H 7.3933 0.0000 1 576 409 208 ILE C C 179.1062 0.0000 1 577 409 208 ILE CA C 64.9903 0.0000 1 578 409 208 ILE CB C 37.7927 0.0000 1 579 409 208 ILE N N 120.9566 0.0000 1 580 410 209 GLN H H 9.0313 0.0000 1 581 410 209 GLN C C 178.3165 0.0000 1 582 410 209 GLN CA C 59.6039 0.0000 1 583 410 209 GLN CB C 27.2875 0.0000 1 584 410 209 GLN N N 121.8263 0.0000 1 585 411 210 ASP H H 8.8089 0.0000 1 586 411 210 ASP C C 178.8225 0.0000 1 587 411 210 ASP CA C 57.5463 0.0000 1 588 411 210 ASP CB C 40.7352 0.0000 1 589 411 210 ASP N N 118.0688 0.0000 1 590 412 211 ASN H H 7.1181 0.0000 1 591 412 211 ASN C C 177.5806 0.0000 1 592 412 211 ASN CA C 56.1614 0.0000 1 593 412 211 ASN CB C 38.4147 0.0000 1 594 412 211 ASN N N 118.1112 0.0000 1 595 413 212 LEU H H 8.2567 0.0000 1 596 413 212 LEU C C 179.0424 0.0000 1 597 413 212 LEU CA C 57.4518 0.0000 1 598 413 212 LEU CB C 42.0170 0.0000 1 599 413 212 LEU N N 119.9014 0.0000 1 600 414 213 LEU H H 9.3122 0.0000 1 601 414 213 LEU C C 180.0883 0.0000 1 602 414 213 LEU CA C 58.0909 0.0000 1 603 414 213 LEU CB C 41.1658 0.0000 1 604 414 213 LEU N N 121.7201 0.0000 1 605 415 214 GLN H H 7.8866 0.0000 1 606 415 214 GLN C C 179.9895 0.0000 1 607 415 214 GLN CA C 58.7926 0.0000 1 608 415 214 GLN CB C 28.1851 0.0000 1 609 415 214 GLN N N 119.4068 0.0000 1 610 416 215 ALA H H 8.3795 0.0000 1 611 416 215 ALA C C 180.0112 0.0000 1 612 416 215 ALA CA C 54.3358 0.0000 1 613 416 215 ALA N N 122.8423 0.0000 1 614 417 216 LEU H H 9.0791 0.0000 1 615 417 216 LEU C C 176.6266 0.0000 1 616 417 216 LEU CA C 57.4103 0.0000 1 617 417 216 LEU N N 122.4714 0.0000 1 618 418 217 GLU H H 8.4076 0.0000 1 619 418 217 GLU C C 178.6370 0.0000 1 620 418 217 GLU CA C 60.0395 0.0000 1 621 418 217 GLU CB C 27.7330 0.0000 1 622 418 217 GLU N N 121.0477 0.0000 1 623 419 218 LEU H H 7.3614 0.0000 1 624 419 218 LEU C C 177.4652 0.0000 1 625 419 218 LEU CA C 57.3457 0.0000 1 626 419 218 LEU CB C 40.3824 0.0000 1 627 419 218 LEU N N 118.6642 0.0000 1 628 420 219 GLN H H 7.9177 0.0000 1 629 420 219 GLN C C 178.0561 0.0000 1 630 420 219 GLN CA C 57.6848 0.0000 1 631 420 219 GLN CB C 26.5495 0.0000 1 632 420 219 GLN N N 118.5670 0.0000 1 633 421 220 LEU H H 8.4558 0.0000 1 634 421 220 LEU C C 179.5214 0.0000 1 635 421 220 LEU CA C 57.6355 0.0000 1 636 421 220 LEU CB C 39.9755 0.0000 1 637 421 220 LEU N N 117.1527 0.0000 1 638 422 221 LYS H H 7.7673 0.0000 1 639 422 221 LYS C C 178.5624 0.0000 1 640 422 221 LYS CA C 58.8145 0.0000 1 641 422 221 LYS CB C 31.3780 0.0000 1 642 422 221 LYS N N 121.1073 0.0000 1 643 423 222 LEU H H 7.8692 0.0000 1 644 423 222 LEU C C 179.1707 0.0000 1 645 423 222 LEU CA C 56.0316 0.0000 1 646 423 222 LEU CB C 41.3444 0.0000 1 647 423 222 LEU N N 116.7752 0.0000 1 648 424 223 ASN H H 8.3944 0.0000 1 649 424 223 ASN C C 175.0967 0.0000 1 650 424 223 ASN CA C 52.8114 0.0000 1 651 424 223 ASN CB C 40.2128 0.0000 1 652 424 223 ASN N N 116.0337 0.0000 1 653 425 224 HIS H H 7.7390 0.0000 1 654 425 224 HIS CA C 51.8319 0.0000 1 655 425 224 HIS CB C 28.2072 0.0000 1 656 425 224 HIS N N 114.8956 0.0000 1 657 426 225 PRO C C 178.0854 0.0000 1 658 426 225 PRO CA C 64.4542 0.0000 1 659 426 225 PRO CB C 30.9018 0.0000 1 660 427 226 GLU H H 8.9484 0.0000 1 661 427 226 GLU C C 176.5937 0.0000 1 662 427 226 GLU CA C 56.0588 0.0000 1 663 427 226 GLU CB C 27.7699 0.0000 1 664 427 226 GLU N N 117.6285 0.0000 1 665 428 227 SER H H 7.5827 0.0000 1 666 428 227 SER CA C 56.4156 0.0000 1 667 428 227 SER CB C 62.6392 0.0000 1 668 428 227 SER N N 117.0205 0.0000 1 669 430 229 GLN C C 175.6086 0.0000 1 670 430 229 GLN CA C 55.6526 0.0000 1 671 430 229 GLN CB C 27.1264 0.0000 1 672 431 230 LEU H H 7.1853 0.0000 1 673 431 230 LEU C C 177.5312 0.0000 1 674 431 230 LEU CA C 57.9513 0.0000 1 675 431 230 LEU CB C 40.5290 0.0000 1 676 431 230 LEU N N 121.3802 0.0000 1 677 432 231 PHE H H 8.6927 0.0000 1 678 432 231 PHE C C 176.0204 0.0000 1 679 432 231 PHE CA C 61.0752 0.0000 1 680 432 231 PHE CB C 37.6842 0.0000 1 681 432 231 PHE N N 119.0105 0.0000 1 682 433 232 ALA H H 7.9257 0.0000 1 683 433 232 ALA C C 181.7165 0.0000 1 684 433 232 ALA CA C 54.7198 0.0000 1 685 433 232 ALA CB C 17.0963 0.0000 1 686 433 232 ALA N N 120.2058 0.0000 1 687 434 233 LYS H H 8.1160 0.0000 1 688 434 233 LYS C C 180.0042 0.0000 1 689 434 233 LYS CA C 58.9371 0.0000 1 690 434 233 LYS CB C 31.6264 0.0000 1 691 434 233 LYS N N 118.5222 0.0000 1 692 435 234 LEU H H 8.5631 0.0000 1 693 435 234 LEU C C 178.9159 0.0000 1 694 435 234 LEU CA C 57.2268 0.0000 1 695 435 234 LEU CB C 39.8009 0.0000 1 696 435 234 LEU N N 122.5917 0.0000 1 697 436 235 LEU H H 8.0779 0.0000 1 698 436 235 LEU C C 181.1433 0.0000 1 699 436 235 LEU CA C 57.6892 0.0000 1 700 436 235 LEU CB C 39.2507 0.0000 1 701 436 235 LEU N N 120.1547 0.0000 1 702 437 236 GLN H H 7.4630 0.0000 1 703 437 236 GLN C C 178.5168 0.0000 1 704 437 236 GLN CA C 58.0107 0.0000 1 705 437 236 GLN CB C 27.2829 0.0000 1 706 437 236 GLN N N 118.8347 0.0000 1 707 438 237 LYS H H 7.9324 0.0000 1 708 438 237 LYS C C 178.5151 0.0000 1 709 438 237 LYS CA C 56.7320 0.0000 1 710 438 237 LYS CB C 30.1181 0.0000 1 711 438 237 LYS N N 117.9370 0.0000 1 712 439 238 MET H H 8.0084 0.0000 1 713 439 238 MET C C 178.5484 0.0000 1 714 439 238 MET CA C 60.0467 0.0000 1 715 439 238 MET CB C 32.0443 0.0000 1 716 439 238 MET N N 117.6558 0.0000 1 717 440 239 THR H H 7.3952 0.0000 1 718 440 239 THR C C 177.4775 0.0000 1 719 440 239 THR CA C 65.9269 0.0000 1 720 440 239 THR CB C 67.8753 0.0000 1 721 440 239 THR N N 116.1041 0.0000 1 722 441 240 ASP H H 8.3304 0.0000 1 723 441 240 ASP C C 178.7504 0.0000 1 724 441 240 ASP CA C 57.1622 0.0000 1 725 441 240 ASP CB C 39.7993 0.0000 1 726 441 240 ASP N N 125.0768 0.0000 1 727 442 241 LEU H H 8.2172 0.0000 1 728 442 241 LEU C C 177.5302 0.0000 1 729 442 241 LEU CA C 57.5010 0.0000 1 730 442 241 LEU CB C 41.9662 0.0000 1 731 442 241 LEU N N 119.3730 0.0000 1 732 443 242 ARG H H 7.0756 0.0000 1 733 443 242 ARG C C 179.3441 0.0000 1 734 443 242 ARG CA C 58.9320 0.0000 1 735 443 242 ARG CB C 28.3829 0.0000 1 736 443 242 ARG N N 116.6762 0.0000 1 737 444 243 GLN H H 7.1874 0.0000 1 738 444 243 GLN C C 178.3739 0.0000 1 739 444 243 GLN CA C 57.8730 0.0000 1 740 444 243 GLN CB C 26.7501 0.0000 1 741 444 243 GLN N N 119.4845 0.0000 1 742 445 244 ILE H H 7.9410 0.0000 1 743 445 244 ILE C C 180.0572 0.0000 1 744 445 244 ILE CA C 64.1450 0.0000 1 745 445 244 ILE N N 120.3011 0.0000 1 746 446 245 VAL H H 8.2051 0.0000 1 747 446 245 VAL C C 177.9898 0.0000 1 748 446 245 VAL CA C 67.0717 0.0000 1 749 446 245 VAL N N 123.7242 0.0000 1 750 447 246 THR H H 7.6902 0.0000 1 751 447 246 THR CA C 67.0776 0.0000 1 752 447 246 THR CB C 67.9078 0.0000 1 753 447 246 THR N N 117.4767 0.0000 1 754 450 249 VAL C C 178.5876 0.0000 1 755 450 249 VAL CA C 66.5085 0.0000 1 756 450 249 VAL CB C 30.4729 0.0000 1 757 451 250 GLN H H 7.7441 0.0000 1 758 451 250 GLN C C 178.9071 0.0000 1 759 451 250 GLN CA C 58.5451 0.0000 1 760 451 250 GLN CB C 26.8417 0.0000 1 761 451 250 GLN N N 118.7276 0.0000 1 762 452 251 LEU H H 7.5237 0.0000 1 763 452 251 LEU CA C 58.6304 0.0000 1 764 452 251 LEU CB C 39.7523 0.0000 1 765 452 251 LEU N N 123.1709 0.0000 1 766 454 253 GLN C C 178.9409 0.0000 1 767 454 253 GLN CA C 58.1715 0.0000 1 768 455 254 VAL H H 7.4913 0.0000 1 769 455 254 VAL C C 179.7733 0.0000 1 770 455 254 VAL CA C 66.1950 0.0000 1 771 455 254 VAL N N 121.4212 0.0000 1 772 456 255 ILE H H 8.0811 0.0000 1 773 456 255 ILE C C 177.1824 0.0000 1 774 456 255 ILE CA C 65.5274 0.0000 1 775 456 255 ILE N N 123.0392 0.0000 1 776 457 256 LYS H H 8.2023 0.0000 1 777 457 256 LYS C C 177.9065 0.0000 1 778 457 256 LYS CA C 58.3666 0.0000 1 779 457 256 LYS N N 119.1418 0.0000 1 780 458 257 LYS H H 7.4577 0.0000 1 781 458 257 LYS C C 177.9979 0.0000 1 782 458 257 LYS CA C 57.6133 0.0000 1 783 458 257 LYS CB C 32.2567 0.0000 1 784 458 257 LYS N N 115.7846 0.0000 1 785 459 258 THR H H 7.6237 0.0000 1 786 459 258 THR C C 175.0481 0.0000 1 787 459 258 THR CA C 63.0105 0.0000 1 788 459 258 THR N N 108.8584 0.0000 1 789 460 259 GLU H H 8.0439 0.0000 1 790 460 259 GLU C C 176.5602 0.0000 1 791 460 259 GLU CA C 54.0849 0.0000 1 792 460 259 GLU CB C 27.2829 0.0000 1 793 460 259 GLU N N 123.3921 0.0000 1 794 461 260 THR H H 7.9094 0.0000 1 795 461 260 THR C C 175.4194 0.0000 1 796 461 260 THR CA C 63.5837 0.0000 1 797 461 260 THR CB C 68.8207 0.0000 1 798 461 260 THR N N 115.1407 0.0000 1 799 462 261 ASP H H 8.6233 0.0000 1 800 462 261 ASP C C 175.1956 0.0000 1 801 462 261 ASP CA C 53.9469 0.0000 1 802 462 261 ASP CB C 40.0287 0.0000 1 803 462 261 ASP N N 121.0239 0.0000 1 804 463 262 MET H H 7.6297 0.0000 1 805 463 262 MET C C 174.9073 0.0000 1 806 463 262 MET CA C 54.8688 0.0000 1 807 463 262 MET N N 120.0195 0.0000 1 808 464 263 SER H H 8.4515 0.0000 1 809 464 263 SER N N 120.4303 0.0000 1 810 470 269 GLN C C 178.3639 0.0000 1 811 470 269 GLN CA C 59.1325 0.0000 1 812 470 269 GLN CB C 27.8054 0.0000 1 813 471 270 GLU H H 7.3586 0.0000 1 814 471 270 GLU C C 178.2323 0.0000 1 815 471 270 GLU CA C 58.2382 0.0000 1 816 471 270 GLU N N 117.4122 0.0000 1 817 472 271 ILE H H 7.3330 0.0000 1 818 472 271 ILE C C 177.6383 0.0000 1 819 472 271 ILE CA C 64.8080 0.0000 1 820 472 271 ILE N N 120.3076 0.0000 1 821 473 272 TYR H H 7.9484 0.0000 1 822 473 272 TYR C C 177.1113 0.0000 1 823 473 272 TYR CA C 58.8526 0.0000 1 824 473 272 TYR N N 114.4607 0.0000 1 825 474 273 LYS H H 7.3619 0.0000 1 826 474 273 LYS CA C 58.0684 0.0000 1 827 474 273 LYS N N 121.6390 0.0000 1 828 475 274 ASP C C 175.2323 0.0000 1 829 475 274 ASP CA C 55.4351 0.0000 1 830 475 274 ASP CB C 39.3415 0.0000 1 831 476 275 LEU H H 7.5605 0.0000 1 832 476 275 LEU C C 175.9900 0.0000 1 833 476 275 LEU CA C 55.8882 0.0000 1 834 476 275 LEU CB C 41.8485 0.0000 1 835 476 275 LEU N N 121.4501 0.0000 1 836 477 276 TYR H H 7.4542 0.0000 1 837 477 276 TYR CA C 59.1711 0.0000 1 838 477 276 TYR N N 122.3510 0.0000 1 stop_ save_