data_17976 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PPARgamma LBD complexed with MRL24 ; _BMRB_accession_number 17976 _BMRB_flat_file_name bmr17976.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 MRL24' 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" 186 "13C chemical shifts" 512 "15N chemical shifts" 186 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' 17977 'PPARgamma LBD + MRL20' 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 + MRL24' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PPARgamma_LBD $PPARgamma_LBD MRL24 $241 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 17977 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_241 _Saveframe_category ligand _Mol_type non-polymer _Name_common "241 ((2S)-2-(3-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID)" _BMRB_code . _PDB_code 241 _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 11:09:14 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CAA CAA C . 0 . ? OAV OAV O . 0 . ? CBC CBC C . 0 . ? CAM CAM C . 0 . ? CAO CAO C . 0 . ? CAN CAN C . 0 . ? CAP CAP C . 0 . ? CBF CBF C . 0 . ? CAZ CAZ C . 0 . ? OAE OAE O . 0 . ? NBK NBK N . 0 . ? CBB CBB C . 0 . ? CAB CAB C . 0 . ? CBI CBI C . 0 . ? CAR CAR C . 0 . ? CAQ CAQ C . 0 . ? CBE CBE C . 0 . ? OAX OAX O . 0 . ? CBL CBL C . 0 . ? FAI FAI F . 0 . ? FAG FAG F . 0 . ? FAH FAH F . 0 . ? CAT CAT C . 0 . ? CBH CBH C . 0 . ? CBG CBG C . 0 . ? CAU CAU C . 0 . ? CBA CBA C . 0 . ? CAS CAS C . 0 . ? CAK CAK C . 0 . ? CAJ CAJ C . 0 . ? CAL CAL C . 0 . ? CBD CBD C . 0 . ? OAW OAW O . 0 . ? CBJ CBJ C . 0 . ? CAC CAC C . 0 . ? CAY CAY C . 0 . ? OAD OAD O . 0 . ? OAF OAF O . 0 . ? HAA1 HAA1 H . 0 . ? HAA2 HAA2 H . 0 . ? HAA3 HAA3 H . 0 . ? HAM HAM H . 0 . ? HAO HAO H . 0 . ? HAN HAN H . 0 . ? HAP HAP H . 0 . ? HAB1 HAB1 H . 0 . ? HAB2 HAB2 H . 0 . ? HAB3 HAB3 H . 0 . ? HAR HAR H . 0 . ? HAQ HAQ H . 0 . ? HAT HAT H . 0 . ? HAU1 HAU1 H . 0 . ? HAU2 HAU2 H . 0 . ? HAS HAS H . 0 . ? HAK HAK H . 0 . ? HAJ HAJ H . 0 . ? HAL HAL H . 0 . ? HBJ HBJ H . 0 . ? HAC1 HAC1 H . 0 . ? HAC2 HAC2 H . 0 . ? HAC3 HAC3 H . 0 . ? HOAD HOAD 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 CAA OAV ? ? SING CAA HAA1 ? ? SING CAA HAA2 ? ? SING CAA HAA3 ? ? SING OAV CBC ? ? DOUB CBC CAN ? ? SING CBC CAM ? ? DOUB CAM CAO ? ? SING CAM HAM ? ? SING CAO CBF ? ? SING CAO HAO ? ? SING CAN CAP ? ? SING CAN HAN ? ? DOUB CAP CBF ? ? SING CAP HAP ? ? SING CBF CAZ ? ? DOUB CAZ OAE ? ? SING CAZ NBK ? ? SING NBK CBB ? ? SING NBK CBI ? ? SING CBB CAB ? ? DOUB CBB CBG ? ? SING CAB HAB1 ? ? SING CAB HAB2 ? ? SING CAB HAB3 ? ? DOUB CBI CBH ? ? SING CBI CAR ? ? DOUB CAR CAQ ? ? SING CAR HAR ? ? SING CAQ CBE ? ? SING CAQ HAQ ? ? DOUB CBE CAT ? ? SING CBE OAX ? ? SING OAX CBL ? ? SING CBL FAG ? ? SING CBL FAI ? ? SING CBL FAH ? ? SING CAT CBH ? ? SING CAT HAT ? ? SING CBH CBG ? ? SING CBG CAU ? ? SING CAU CBA ? ? SING CAU HAU1 ? ? SING CAU HAU2 ? ? DOUB CBA CAK ? ? SING CBA CAS ? ? DOUB CAS CBD ? ? SING CAS HAS ? ? SING CAK CAJ ? ? SING CAK HAK ? ? DOUB CAJ CAL ? ? SING CAJ HAJ ? ? SING CAL CBD ? ? SING CAL HAL ? ? SING CBD OAW ? ? SING OAW CBJ ? ? SING CBJ CAC ? ? SING CBJ CAY ? ? SING CBJ HBJ ? ? SING CAC HAC1 ? ? SING CAC HAC2 ? ? SING CAC HAC3 ? ? DOUB CAY OAF ? ? SING CAY OAD ? ? SING OAD HOAD ? ? 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]' $241 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 175.8224 0.0000 1 2 203 2 GLN CA C 55.4021 0.0000 1 3 203 2 GLN CB C 29.0407 0.0000 1 4 204 3 LEU H H 8.3673 0.0000 1 5 204 3 LEU C C 176.6239 0.0000 1 6 204 3 LEU CA C 54.6629 0.0000 1 7 204 3 LEU N N 124.0978 0.0000 1 8 205 4 ASN H H 8.4561 0.0000 1 9 205 4 ASN CA C 51.0569 0.0000 1 10 205 4 ASN N N 121.2610 0.0000 1 11 206 5 PRO C C 177.2332 0.0000 1 12 206 5 PRO CA C 63.3881 0.0000 1 13 207 6 GLU H H 8.5769 0.0000 1 14 207 6 GLU C C 177.3887 0.0000 1 15 207 6 GLU CA C 56.3280 0.0000 1 16 207 6 GLU CB C 28.4538 0.0000 1 17 207 6 GLU N N 120.1606 0.0000 1 18 208 7 SER H H 8.2127 0.0000 1 19 208 7 SER C C 175.2883 0.0000 1 20 208 7 SER CA C 59.5155 0.0000 1 21 208 7 SER CB C 62.8800 0.0000 1 22 208 7 SER N N 117.3134 0.0000 1 23 209 8 ALA H H 8.3499 0.0000 1 24 209 8 ALA C C 179.5193 0.0000 1 25 209 8 ALA CA C 53.9773 0.0000 1 26 209 8 ALA CB C 17.7116 0.0000 1 27 209 8 ALA N N 124.9726 0.0000 1 28 210 9 ASP H H 7.9537 0.0000 1 29 210 9 ASP C C 178.6212 0.0000 1 30 210 9 ASP CA C 55.3618 0.0000 1 31 210 9 ASP CB C 39.7719 0.0000 1 32 210 9 ASP N N 119.3597 0.0000 1 33 211 10 LEU H H 8.0347 0.0000 1 34 211 10 LEU C C 181.3189 0.0000 1 35 211 10 LEU CA C 57.2089 0.0000 1 36 211 10 LEU CB C 41.5397 0.0000 1 37 211 10 LEU N N 122.7427 0.0000 1 38 212 11 ARG H H 8.2830 0.0000 1 39 212 11 ARG C C 179.1139 0.0000 1 40 212 11 ARG CA C 56.9299 0.0000 1 41 212 11 ARG CB C 26.6540 0.0000 1 42 212 11 ARG N N 120.9648 0.0000 1 43 213 12 ALA H H 8.0944 0.0000 1 44 213 12 ALA C C 180.8508 0.0000 1 45 213 12 ALA CA C 54.5793 0.0000 1 46 213 12 ALA CB C 16.9314 0.0000 1 47 213 12 ALA N N 125.1209 0.0000 1 48 214 13 LEU H H 7.8674 0.0000 1 49 214 13 LEU C C 177.8819 0.0000 1 50 214 13 LEU CA C 57.3806 0.0000 1 51 214 13 LEU CB C 40.5631 0.0000 1 52 214 13 LEU N N 121.6540 0.0000 1 53 215 14 ALA H H 7.4937 0.0000 1 54 215 14 ALA C C 179.7497 0.0000 1 55 215 14 ALA CA C 55.6506 0.0000 1 56 215 14 ALA CB C 18.2975 0.0000 1 57 215 14 ALA N N 120.3369 0.0000 1 58 216 15 LYS H H 7.8674 0.0000 1 59 216 15 LYS C C 177.5149 0.0000 1 60 216 15 LYS CA C 58.7427 0.0000 1 61 216 15 LYS CB C 31.4045 0.0000 1 62 216 15 LYS N N 120.1272 0.0000 1 63 217 16 HIS H H 8.3121 0.0000 1 64 217 16 HIS C C 179.3531 0.0000 1 65 217 16 HIS CA C 59.6968 0.0000 1 66 217 16 HIS CB C 30.5141 0.0000 1 67 217 16 HIS N N 120.3507 0.0000 1 68 218 17 LEU H H 8.4264 0.0000 1 69 218 17 LEU C C 178.5367 0.0000 1 70 218 17 LEU CA C 57.2396 0.0000 1 71 218 17 LEU CB C 38.9815 0.0000 1 72 218 17 LEU N N 119.0837 0.0000 1 73 219 18 TYR H H 8.2055 0.0000 1 74 219 18 TYR C C 176.6599 0.0000 1 75 219 18 TYR CA C 60.4451 0.0000 1 76 219 18 TYR CB C 36.6569 0.0000 1 77 219 18 TYR N N 120.7578 0.0000 1 78 220 19 ASP H H 8.6869 0.0000 1 79 220 19 ASP C C 179.6578 0.0000 1 80 220 19 ASP CA C 57.0700 0.0000 1 81 220 19 ASP CB C 39.1959 0.0000 1 82 220 19 ASP N N 119.7676 0.0000 1 83 221 20 SER H H 7.9266 0.0000 1 84 221 20 SER C C 176.4300 0.0000 1 85 221 20 SER CA C 60.8454 0.0000 1 86 221 20 SER N N 115.5315 0.0000 1 87 222 21 TYR H H 9.0749 0.0000 1 88 222 21 TYR C C 176.4288 0.0000 1 89 222 21 TYR CA C 60.8338 0.0000 1 90 222 21 TYR N N 129.2068 0.0000 1 91 223 22 ILE H H 8.3358 0.0000 1 92 223 22 ILE C C 178.9530 0.0000 1 93 223 22 ILE CA C 61.5764 0.0000 1 94 223 22 ILE CB C 35.6654 0.0000 1 95 223 22 ILE N N 117.9077 0.0000 1 96 224 23 LYS H H 7.1777 0.0000 1 97 224 23 LYS C C 178.0249 0.0000 1 98 224 23 LYS CA C 58.0968 0.0000 1 99 224 23 LYS CB C 31.7714 0.0000 1 100 224 23 LYS N N 118.6734 0.0000 1 101 225 24 SER H H 7.4693 0.0000 1 102 225 24 SER C C 172.6310 0.0000 1 103 225 24 SER CA C 61.2273 0.0000 1 104 225 24 SER CB C 63.9765 0.0000 1 105 225 24 SER N N 114.7873 0.0000 1 106 226 25 PHE H H 7.3217 0.0000 1 107 226 25 PHE CA C 53.2484 0.0000 1 108 226 25 PHE CB C 37.6344 0.0000 1 109 226 25 PHE N N 118.7128 0.0000 1 110 227 26 PRO C C 177.8832 0.0000 1 111 227 26 PRO CA C 63.9305 0.0000 1 112 228 27 LEU H H 7.8786 0.0000 1 113 228 27 LEU C C 174.4945 0.0000 1 114 228 27 LEU CA C 53.3105 0.0000 1 115 228 27 LEU CB C 39.6759 0.0000 1 116 228 27 LEU N N 119.9567 0.0000 1 117 229 28 THR H H 6.6428 0.0000 1 118 229 28 THR C C 173.7835 0.0000 1 119 229 28 THR CA C 59.3828 0.0000 1 120 229 28 THR CB C 69.6843 0.0000 1 121 229 28 THR N N 113.2075 0.0000 1 122 230 29 LYS H H 10.0995 0.0000 1 123 230 29 LYS C C 179.1191 0.0000 1 124 230 29 LYS CA C 60.7682 0.0000 1 125 230 29 LYS CB C 31.1891 0.0000 1 126 230 29 LYS N N 125.4718 0.0000 1 127 231 30 ALA H H 9.2755 0.0000 1 128 231 30 ALA C C 181.6640 0.0000 1 129 231 30 ALA CA C 54.7863 0.0000 1 130 231 30 ALA CB C 17.4809 0.0000 1 131 231 30 ALA N N 120.9659 0.0000 1 132 232 31 LYS H H 7.5639 0.0000 1 133 232 31 LYS C C 178.8161 0.0000 1 134 232 31 LYS CA C 58.8721 0.0000 1 135 232 31 LYS CB C 31.9694 0.0000 1 136 232 31 LYS N N 118.9561 0.0000 1 137 233 32 ALA H H 8.2924 0.0000 1 138 233 32 ALA C C 179.8590 0.0000 1 139 233 32 ALA CA C 54.9358 0.0000 1 140 233 32 ALA CB C 18.6538 0.0000 1 141 233 32 ALA N N 122.4601 0.0000 1 142 234 33 ARG H H 9.1044 0.0000 1 143 234 33 ARG C C 179.5224 0.0000 1 144 234 33 ARG CA C 57.8290 0.0000 1 145 234 33 ARG CB C 27.6725 0.0000 1 146 234 33 ARG N N 116.2901 0.0000 1 147 235 34 ALA H H 7.4982 0.0000 1 148 235 34 ALA C C 179.5800 0.0000 1 149 235 34 ALA CA C 54.7704 0.0000 1 150 235 34 ALA CB C 16.9358 0.0000 1 151 235 34 ALA N N 122.9745 0.0000 1 152 236 35 ILE H H 7.5096 0.0000 1 153 236 35 ILE C C 179.4295 0.0000 1 154 236 35 ILE CA C 64.5150 0.0000 1 155 236 35 ILE CB C 37.6334 0.0000 1 156 236 35 ILE N N 118.6258 0.0000 1 157 237 36 LEU H H 8.4691 0.0000 1 158 237 36 LEU C C 178.6706 0.0000 1 159 237 36 LEU CA C 57.0214 0.0000 1 160 237 36 LEU CB C 41.5786 0.0000 1 161 237 36 LEU N N 119.3955 0.0000 1 162 238 37 THR H H 7.7811 0.0000 1 163 238 37 THR C C 175.4795 0.0000 1 164 238 37 THR CA C 61.5917 0.0000 1 165 238 37 THR CB C 69.7207 0.0000 1 166 238 37 THR N N 108.0242 0.0000 1 167 239 38 GLY H H 7.4762 0.0000 1 168 239 38 GLY C C 174.6718 0.0000 1 169 239 38 GLY CA C 45.8275 0.0000 1 170 239 38 GLY N N 110.5306 0.0000 1 171 240 39 LYS H H 8.2074 0.0000 1 172 240 39 LYS C C 176.9294 0.0000 1 173 240 39 LYS CA C 55.5744 0.0000 1 174 240 39 LYS N N 120.6187 0.0000 1 175 241 40 THR H H 7.8425 0.0000 1 176 241 40 THR CA C 60.8073 0.0000 1 177 241 40 THR N N 113.5531 0.0000 1 178 242 41 THR C C 175.0768 0.0000 1 179 243 42 ASP H H 8.2964 0.0000 1 180 243 42 ASP C C 175.8070 0.0000 1 181 243 42 ASP CA C 54.4575 0.0000 1 182 243 42 ASP CB C 40.3148 0.0000 1 183 243 42 ASP N N 121.3821 0.0000 1 184 244 43 LYS H H 7.9132 0.0000 1 185 244 43 LYS C C 176.0452 0.0000 1 186 244 43 LYS CA C 55.1156 0.0000 1 187 244 43 LYS CB C 31.9704 0.0000 1 188 244 43 LYS N N 119.7716 0.0000 1 189 245 44 SER H H 8.0452 0.0000 1 190 245 44 SER CA C 56.9107 0.0000 1 191 245 44 SER CB C 62.5656 0.0000 1 192 245 44 SER N N 119.5539 0.0000 1 193 246 45 PRO C C 176.7629 0.0000 1 194 246 45 PRO CA C 62.3543 0.0000 1 195 247 46 PHE H H 7.9434 0.0000 1 196 247 46 PHE C C 174.9070 0.0000 1 197 247 46 PHE CA C 58.5074 0.0000 1 198 247 46 PHE N N 124.7738 0.0000 1 199 248 47 VAL H H 7.9295 0.0000 1 200 248 47 VAL C C 174.5372 0.0000 1 201 248 47 VAL CA C 62.7397 0.0000 1 202 248 47 VAL CB C 31.1891 0.0000 1 203 248 47 VAL N N 129.8669 0.0000 1 204 249 48 ILE H H 9.2256 0.0000 1 205 249 48 ILE C C 173.4159 0.0000 1 206 249 48 ILE CA C 60.8025 0.0000 1 207 249 48 ILE N N 128.2828 0.0000 1 208 250 49 TYR H H 8.0407 0.0000 1 209 250 49 TYR C C 173.5853 0.0000 1 210 250 49 TYR CA C 54.3523 0.0000 1 211 250 49 TYR N N 122.2851 0.0000 1 212 251 50 ASP H H 7.3016 0.0000 1 213 251 50 ASP C C 173.8167 0.0000 1 214 251 50 ASP CA C 52.4814 0.0000 1 215 251 50 ASP N N 120.7247 0.0000 1 216 252 51 MET H H 8.4484 0.0000 1 217 252 51 MET C C 178.0496 0.0000 1 218 252 51 MET CA C 57.2775 0.0000 1 219 252 51 MET N N 117.2719 0.0000 1 220 253 52 ASN H H 8.0256 0.0000 1 221 253 52 ASN CA C 56.3933 0.0000 1 222 253 52 ASN CB C 37.5655 0.0000 1 223 253 52 ASN N N 118.5358 0.0000 1 224 254 53 SER H H 8.9165 0.0000 1 225 254 53 SER C C 177.7099 0.0000 1 226 254 53 SER CA C 61.4752 0.0000 1 227 254 53 SER CB C 62.3469 0.0000 1 228 254 53 SER N N 117.0147 0.0000 1 229 255 54 LEU H H 7.7787 0.0000 1 230 255 54 LEU C C 177.9945 0.0000 1 231 255 54 LEU CA C 58.6843 0.0000 1 232 255 54 LEU N N 124.8613 0.0000 1 233 256 55 MET H H 7.8145 0.0000 1 234 256 55 MET C C 179.6140 0.0000 1 235 256 55 MET CA C 58.1097 0.0000 1 236 256 55 MET N N 117.5919 0.0000 1 237 257 56 MET H H 8.1850 0.0000 1 238 257 56 MET C C 178.7094 0.0000 1 239 257 56 MET CA C 57.7857 0.0000 1 240 257 56 MET N N 119.1781 0.0000 1 241 258 57 GLY H H 8.5634 0.0000 1 242 258 57 GLY CA C 46.5802 0.0000 1 243 258 57 GLY N N 109.4430 0.0000 1 244 261 60 LYS C C 179.0930 0.0000 1 245 262 61 ILE H H 8.2984 0.0000 1 246 262 61 ILE C C 178.7865 0.0000 1 247 262 61 ILE CA C 56.8963 0.0000 1 248 262 61 ILE N N 118.5675 0.0000 1 249 263 62 LYS H H 7.8311 0.0000 1 250 263 62 LYS CA C 62.1243 0.0000 1 251 263 62 LYS N N 109.5063 0.0000 1 252 275 74 LYS C C 176.4805 0.0000 1 253 275 74 LYS CA C 55.6885 0.0000 1 254 275 74 LYS CB C 29.3434 0.0000 1 255 276 75 GLU H H 8.3489 0.0000 1 256 276 75 GLU C C 176.9931 0.0000 1 257 276 75 GLU CA C 55.7029 0.0000 1 258 276 75 GLU N N 121.0437 0.0000 1 259 277 76 VAL H H 8.5525 0.0000 1 260 277 76 VAL C C 176.6053 0.0000 1 261 277 76 VAL CA C 66.5531 0.0000 1 262 277 76 VAL N N 126.0649 0.0000 1 263 278 77 ALA H H 8.6582 0.0000 1 264 278 77 ALA C C 178.1277 0.0000 1 265 278 77 ALA CA C 55.2262 0.0000 1 266 278 77 ALA N N 119.2346 0.0000 1 267 279 78 ILE H H 6.2819 0.0000 1 268 279 78 ILE C C 177.2972 0.0000 1 269 279 78 ILE CA C 63.1406 0.0000 1 270 279 78 ILE N N 113.1881 0.0000 1 271 280 79 ARG H H 7.8791 0.0000 1 272 280 79 ARG C C 179.7168 0.0000 1 273 280 79 ARG CA C 59.6160 0.0000 1 274 280 79 ARG CB C 29.2721 0.0000 1 275 280 79 ARG N N 120.3857 0.0000 1 276 281 80 ILE H H 8.0862 0.0000 1 277 281 80 ILE CA C 64.2480 0.0000 1 278 281 80 ILE N N 119.8394 0.0000 1 279 295 94 GLU C C 178.7563 0.0000 1 280 295 94 GLU CA C 58.9864 0.0000 1 281 296 95 ILE H H 8.6402 0.0000 1 282 296 95 ILE C C 177.1198 0.0000 1 283 296 95 ILE CA C 64.7998 0.0000 1 284 296 95 ILE N N 117.9078 0.0000 1 285 297 96 THR H H 8.1827 0.0000 1 286 297 96 THR C C 175.3408 0.0000 1 287 297 96 THR CA C 67.2574 0.0000 1 288 297 96 THR N N 118.1639 0.0000 1 289 298 97 GLU H H 7.6140 0.0000 1 290 298 97 GLU C C 179.4989 0.0000 1 291 298 97 GLU CA C 58.6825 0.0000 1 292 298 97 GLU CB C 27.9051 0.0000 1 293 298 97 GLU N N 120.8045 0.0000 1 294 299 98 TYR H H 7.9641 0.0000 1 295 299 98 TYR CA C 61.1156 0.0000 1 296 299 98 TYR CB C 38.0716 0.0000 1 297 299 98 TYR N N 121.6095 0.0000 1 298 300 99 ALA C C 178.1011 0.0000 1 299 300 99 ALA CB C 16.9314 0.0000 1 300 301 100 LYS H H 7.1051 0.0000 1 301 301 100 LYS C C 178.2332 0.0000 1 302 301 100 LYS CA C 58.3705 0.0000 1 303 301 100 LYS CB C 31.1881 0.0000 1 304 301 100 LYS N N 111.4618 0.0000 1 305 302 101 SER H H 7.8331 0.0000 1 306 302 101 SER C C 175.0268 0.0000 1 307 302 101 SER CA C 58.6034 0.0000 1 308 302 101 SER CB C 63.8053 0.0000 1 309 302 101 SER N N 116.4442 0.0000 1 310 303 102 ILE H H 7.6589 0.0000 1 311 303 102 ILE CA C 60.1028 0.0000 1 312 303 102 ILE CB C 37.2722 0.0000 1 313 303 102 ILE N N 128.0694 0.0000 1 314 304 103 PRO C C 176.2236 0.0000 1 315 304 103 PRO CA C 64.7139 0.0000 1 316 304 103 PRO CB C 30.1649 0.0000 1 317 305 104 GLY H H 8.6074 0.0000 1 318 305 104 GLY C C 176.5742 0.0000 1 319 305 104 GLY CA C 44.9216 0.0000 1 320 305 104 GLY N N 112.4588 0.0000 1 321 306 105 PHE H H 8.2564 0.0000 1 322 306 105 PHE C C 176.9868 0.0000 1 323 306 105 PHE CA C 62.6030 0.0000 1 324 306 105 PHE CB C 40.1418 0.0000 1 325 306 105 PHE N N 124.5162 0.0000 1 326 307 106 VAL H H 8.2139 0.0000 1 327 307 106 VAL C C 175.9283 0.0000 1 328 307 106 VAL CA C 62.9072 0.0000 1 329 307 106 VAL CB C 30.2116 0.0000 1 330 307 106 VAL N N 107.4691 0.0000 1 331 308 107 ASN H H 7.0325 0.0000 1 332 308 107 ASN C C 175.8445 0.0000 1 333 308 107 ASN CA C 52.5363 0.0000 1 334 308 107 ASN CB C 38.4329 0.0000 1 335 308 107 ASN N N 116.5694 0.0000 1 336 309 108 LEU H H 7.1363 0.0000 1 337 309 108 LEU C C 177.5479 0.0000 1 338 309 108 LEU CA C 53.7745 0.0000 1 339 309 108 LEU CB C 41.1491 0.0000 1 340 309 108 LEU N N 121.0126 0.0000 1 341 310 109 ASP H H 9.0832 0.0000 1 342 310 109 ASP C C 177.5750 0.0000 1 343 310 109 ASP CA C 55.1317 0.0000 1 344 310 109 ASP CB C 42.5420 0.0000 1 345 310 109 ASP N N 124.2616 0.0000 1 346 311 110 LEU H H 8.5866 0.0000 1 347 311 110 LEU C C 179.0668 0.0000 1 348 311 110 LEU CA C 58.3638 0.0000 1 349 311 110 LEU CB C 41.3210 0.0000 1 350 311 110 LEU N N 128.5441 0.0000 1 351 312 111 ASN H H 8.6516 0.0000 1 352 312 111 ASN C C 178.0629 0.0000 1 353 312 111 ASN CA C 56.1684 0.0000 1 354 312 111 ASN CB C 37.4381 0.0000 1 355 312 111 ASN N N 115.5901 0.0000 1 356 313 112 ASP H H 7.5466 0.0000 1 357 313 112 ASP C C 177.8886 0.0000 1 358 313 112 ASP CA C 57.0451 0.0000 1 359 313 112 ASP CB C 38.6110 0.0000 1 360 313 112 ASP N N 121.0243 0.0000 1 361 314 113 GLN H H 7.9915 0.0000 1 362 314 113 GLN C C 178.1953 0.0000 1 363 314 113 GLN CA C 60.0340 0.0000 1 364 314 113 GLN CB C 28.0641 0.0000 1 365 314 113 GLN N N 119.8726 0.0000 1 366 315 114 VAL H H 7.4866 0.0000 1 367 315 114 VAL C C 179.4101 0.0000 1 368 315 114 VAL CA C 66.1871 0.0000 1 369 315 114 VAL CB C 30.6032 0.0000 1 370 315 114 VAL N N 117.0566 0.0000 1 371 316 115 THR H H 8.3695 0.0000 1 372 316 115 THR CA C 66.6263 0.0000 1 373 316 115 THR CB C 67.8977 0.0000 1 374 316 115 THR N N 121.0157 0.0000 1 375 317 116 LEU H H 8.8911 0.0000 1 376 317 116 LEU C C 182.7810 0.0000 1 377 317 116 LEU CA C 57.7966 0.0000 1 378 317 116 LEU N N 120.0976 0.0000 1 379 318 117 LEU H H 8.1199 0.0000 1 380 318 117 LEU C C 177.4605 0.0000 1 381 318 117 LEU CA C 57.8592 0.0000 1 382 318 117 LEU N N 121.0351 0.0000 1 383 319 118 LYS H H 8.6348 0.0000 1 384 319 118 LYS CA C 59.5266 0.0000 1 385 319 118 LYS N N 121.6380 0.0000 1 386 328 127 THR C C 175.9830 0.0000 1 387 328 127 THR CA C 62.6029 0.0000 1 388 329 128 MET H H 8.6779 0.0000 1 389 329 128 MET C C 179.3625 0.0000 1 390 329 128 MET CA C 56.7272 0.0000 1 391 329 128 MET N N 121.4136 0.0000 1 392 330 129 LEU H H 8.7416 0.0000 1 393 330 129 LEU C C 178.3962 0.0000 1 394 330 129 LEU CA C 56.5056 0.0000 1 395 330 129 LEU N N 123.0443 0.0000 1 396 331 130 ALA H H 7.1024 0.0000 1 397 331 130 ALA C C 179.0974 0.0000 1 398 331 130 ALA CA C 55.2126 0.0000 1 399 331 130 ALA CB C 15.9548 0.0000 1 400 331 130 ALA N N 118.8217 0.0000 1 401 332 131 SER H H 7.0384 0.0000 1 402 332 131 SER C C 173.5670 0.0000 1 403 332 131 SER CA C 60.5738 0.0000 1 404 332 131 SER CB C 63.0240 0.0000 1 405 332 131 SER N N 111.9916 0.0000 1 406 333 132 LEU H H 7.5207 0.0000 1 407 333 132 LEU C C 174.5470 0.0000 1 408 333 132 LEU CA C 53.1429 0.0000 1 409 333 132 LEU CB C 40.7426 0.0000 1 410 333 132 LEU N N 117.0367 0.0000 1 411 334 133 MET H H 7.2979 0.0000 1 412 334 133 MET C C 176.6711 0.0000 1 413 334 133 MET CA C 54.7220 0.0000 1 414 334 133 MET CB C 36.8522 0.0000 1 415 334 133 MET N N 116.2456 0.0000 1 416 335 134 ASN H H 8.8024 0.0000 1 417 335 134 ASN C C 175.3299 0.0000 1 418 335 134 ASN CA C 51.3475 0.0000 1 419 335 134 ASN CB C 39.6499 0.0000 1 420 335 134 ASN N N 117.8235 0.0000 1 421 336 135 LYS H H 8.2995 0.0000 1 422 336 135 LYS C C 175.9482 0.0000 1 423 336 135 LYS CA C 58.1575 0.0000 1 424 336 135 LYS N N 112.8751 0.0000 1 425 337 136 ASP H H 8.3728 0.0000 1 426 337 136 ASP C C 177.9833 0.0000 1 427 337 136 ASP CA C 54.5573 0.0000 1 428 337 136 ASP CB C 42.6995 0.0000 1 429 337 136 ASP N N 116.1958 0.0000 1 430 338 137 GLY H H 8.0763 0.0000 1 431 338 137 GLY C C 168.233 0.0000 1 432 338 137 GLY CA C 47.8366 0.0000 1 433 338 137 GLY N N 111.6597 0.0000 1 434 339 138 VAL H H 8.1203 0.0000 1 435 339 138 VAL C C 172.0998 0.0000 1 436 339 138 VAL CA C 56.7433 0.0000 1 437 339 138 VAL CB C 35.8756 0.0000 1 438 339 138 VAL N N 116.9442 0.0000 1 439 340 139 LEU H H 8.4221 0.0000 1 440 340 139 LEU C C 175.6616 0.0000 1 441 340 139 LEU CA C 54.7893 0.0000 1 442 340 139 LEU CB C 43.3489 0.0000 1 443 340 139 LEU N N 128.4501 0.0000 1 444 341 140 ILE H H 8.1236 0.0000 1 445 341 140 ILE CA C 58.7667 0.0000 1 446 341 140 ILE CB C 40.2104 0.0000 1 447 341 140 ILE N N 113.8091 0.0000 1 448 342 141 SER C C 176.6312 0.0000 1 449 342 141 SER CA C 58.0609 0.0000 1 450 342 141 SER CB C 66.1490 0.0000 1 451 343 142 GLU H H 9.5792 0.0000 1 452 343 142 GLU C C 176.3030 0.0000 1 453 343 142 GLU CA C 56.2426 0.0000 1 454 343 142 GLU CB C 26.3217 0.0000 1 455 343 142 GLU N N 116.1688 0.0000 1 456 344 143 GLY H H 7.9165 0.0000 1 457 344 143 GLY C C 173.4998 0.0000 1 458 344 143 GLY CA C 44.8278 0.0000 1 459 344 143 GLY N N 105.6038 0.0000 1 460 345 144 GLN H H 7.8887 0.0000 1 461 345 144 GLN C C 177.1197 0.0000 1 462 345 144 GLN CA C 56.9563 0.0000 1 463 345 144 GLN CB C 29.9738 0.0000 1 464 345 144 GLN N N 116.7846 0.0000 1 465 346 145 GLY H H 8.1236 0.0000 1 466 346 145 GLY C C 171.1869 0.0000 1 467 346 145 GLY CA C 43.3502 0.0000 1 468 346 145 GLY N N 104.8018 0.0000 1 469 347 146 PHE H H 8.8426 0.0000 1 470 347 146 PHE C C 172.9111 0.0000 1 471 347 146 PHE CA C 56.2982 0.0000 1 472 347 146 PHE CB C 41.5407 0.0000 1 473 347 146 PHE N N 122.7420 0.0000 1 474 348 147 MET H H 8.9621 0.0000 1 475 348 147 MET C C 175.5688 0.0000 1 476 348 147 MET CA C 53.5847 0.0000 1 477 348 147 MET CB C 35.2897 0.0000 1 478 348 147 MET N N 128.8118 0.0000 1 479 349 148 THR H H 8.5532 0.0000 1 480 349 148 THR C C 174.3990 0.0000 1 481 349 148 THR CA C 61.6004 0.0000 1 482 349 148 THR CB C 69.2740 0.0000 1 483 349 148 THR N N 116.2458 0.0000 1 484 350 149 ARG H H 8.5437 0.0000 1 485 350 149 ARG C C 179.2093 0.0000 1 486 350 149 ARG CA C 58.3454 0.0000 1 487 350 149 ARG CB C 30.2116 0.0000 1 488 350 149 ARG N N 126.2060 0.0000 1 489 351 150 GLU H H 8.4943 0.0000 1 490 351 150 GLU C C 178.4766 0.0000 1 491 351 150 GLU CA C 58.7198 0.0000 1 492 351 150 GLU CB C 28.4538 0.0000 1 493 351 150 GLU N N 118.2924 0.0000 1 494 352 151 PHE H H 8.0042 0.0000 1 495 352 151 PHE C C 179.2947 0.0000 1 496 352 151 PHE CA C 60.5159 0.0000 1 497 352 151 PHE CB C 37.9624 0.0000 1 498 352 151 PHE N N 122.1104 0.0000 1 499 353 152 LEU H H 7.6615 0.0000 1 500 353 152 LEU C C 177.4797 0.0000 1 501 353 152 LEU CA C 58.3658 0.0000 1 502 353 152 LEU CB C 40.6800 0.0000 1 503 353 152 LEU N N 121.3955 0.0000 1 504 354 153 LYS H H 7.6334 0.0000 1 505 354 153 LYS C C 177.1324 0.0000 1 506 354 153 LYS CA C 56.9825 0.0000 1 507 354 153 LYS CB C 31.9123 0.0000 1 508 354 153 LYS N N 116.2836 0.0000 1 509 355 154 SER H H 7.4595 0.0000 1 510 355 154 SER C C 174.4250 0.0000 1 511 355 154 SER CA C 58.7677 0.0000 1 512 355 154 SER CB C 63.3854 0.0000 1 513 355 154 SER N N 114.2330 0.0000 1 514 356 155 LEU H H 6.7864 0.0000 1 515 356 155 LEU C C 176.6064 0.0000 1 516 356 155 LEU CA C 54.1014 0.0000 1 517 356 155 LEU CB C 40.8852 0.0000 1 518 356 155 LEU N N 122.6937 0.0000 1 519 357 156 ARG H H 8.5585 0.0000 1 520 357 156 ARG C C 176.5681 0.0000 1 521 357 156 ARG CA C 55.1742 0.0000 1 522 357 156 ARG CB C 28.8444 0.0000 1 523 357 156 ARG N N 119.8284 0.0000 1 524 358 157 LYS H H 8.6143 0.0000 1 525 358 157 LYS CA C 55.1361 0.0000 1 526 358 157 LYS CB C 30.2540 0.0000 1 527 358 157 LYS N N 123.7966 0.0000 1 528 359 158 PRO C C 175.7846 0.0000 1 529 359 158 PRO CA C 63.3700 0.0000 1 530 360 159 PHE H H 8.1199 0.0000 1 531 360 159 PHE C C 178.0388 0.0000 1 532 360 159 PHE CA C 61.5318 0.0000 1 533 360 159 PHE N N 124.2386 0.0000 1 534 361 160 GLY H H 7.3907 0.0000 1 535 361 160 GLY C C 174.6771 0.0000 1 536 361 160 GLY CA C 46.5791 0.0000 1 537 361 160 GLY N N 108.1505 0.0000 1 538 362 161 ASP H H 7.3948 0.0000 1 539 362 161 ASP C C 178.8769 0.0000 1 540 362 161 ASP CA C 53.7317 0.0000 1 541 362 161 ASP N N 118.8306 0.0000 1 542 363 162 PHE H H 7.9294 0.0000 1 543 363 162 PHE CA C 60.0495 0.0000 1 544 363 162 PHE CB C 39.3923 0.0000 1 545 363 162 PHE N N 124.6208 0.0000 1 546 367 166 LYS C C 177.3604 0.0000 1 547 367 166 LYS CB C 31.3845 0.0000 1 548 368 167 PHE H H 7.7749 0.0000 1 549 368 167 PHE C C 178.4591 0.0000 1 550 368 167 PHE CA C 61.9782 0.0000 1 551 368 167 PHE N N 121.6291 0.0000 1 552 369 168 GLU H H 8.3078 0.0000 1 553 369 168 GLU C C 179.8131 0.0000 1 554 369 168 GLU CA C 58.9681 0.0000 1 555 369 168 GLU N N 117.7003 0.0000 1 556 370 169 PHE H H 7.5577 0.0000 1 557 370 169 PHE C C 176.8130 0.0000 1 558 370 169 PHE CA C 60.7599 0.0000 1 559 370 169 PHE N N 118.5904 0.0000 1 560 371 170 ALA H H 8.5070 0.0000 1 561 371 170 ALA C C 179.1549 0.0000 1 562 371 170 ALA CA C 55.6066 0.0000 1 563 371 170 ALA N N 122.9748 0.0000 1 564 372 171 VAL H H 8.3505 0.0000 1 565 372 171 VAL C C 179.5773 0.0000 1 566 372 171 VAL CA C 66.0580 0.0000 1 567 372 171 VAL CB C 30.7975 0.0000 1 568 372 171 VAL N N 115.9504 0.0000 1 569 373 172 LYS H H 6.6787 0.0000 1 570 373 172 LYS C C 178.6437 0.0000 1 571 373 172 LYS CA C 58.1780 0.0000 1 572 373 172 LYS CB C 31.6441 0.0000 1 573 373 172 LYS N N 118.4705 0.0000 1 574 374 173 PHE H H 8.7936 0.0000 1 575 374 173 PHE C C 179.2919 0.0000 1 576 374 173 PHE CA C 61.5514 0.0000 1 577 374 173 PHE CB C 39.5876 0.0000 1 578 374 173 PHE N N 123.3109 0.0000 1 579 375 174 ASN H H 9.4667 0.0000 1 580 375 174 ASN C C 178.9053 0.0000 1 581 375 174 ASN CA C 54.2008 0.0000 1 582 375 174 ASN CB C 36.4616 0.0000 1 583 375 174 ASN N N 119.6453 0.0000 1 584 376 175 ALA H H 6.9140 0.0000 1 585 376 175 ALA C C 178.1052 0.0000 1 586 376 175 ALA CA C 53.2984 0.0000 1 587 376 175 ALA CB C 16.7636 0.0000 1 588 376 175 ALA N N 122.9727 0.0000 1 589 377 176 LEU H H 7.1924 0.0000 1 590 377 176 LEU C C 175.8715 0.0000 1 591 377 176 LEU CA C 55.3588 0.0000 1 592 377 176 LEU CB C 39.3913 0.0000 1 593 377 176 LEU N N 116.2651 0.0000 1 594 378 177 GLU H H 7.2370 0.0000 1 595 378 177 GLU C C 175.4626 0.0000 1 596 378 177 GLU CA C 56.1331 0.0000 1 597 378 177 GLU CB C 25.6343 0.0000 1 598 378 177 GLU N N 110.1633 0.0000 1 599 379 178 LEU H H 8.0294 0.0000 1 600 379 178 LEU C C 178.3500 0.0000 1 601 379 178 LEU CA C 54.6613 0.0000 1 602 379 178 LEU CB C 40.6518 0.0000 1 603 379 178 LEU N N 116.6024 0.0000 1 604 380 179 ASP H H 9.5684 0.0000 1 605 380 179 ASP C C 176.8423 0.0000 1 606 380 179 ASP CA C 51.1524 0.0000 1 607 380 179 ASP CB C 42.2878 0.0000 1 608 380 179 ASP N N 122.6204 0.0000 1 609 381 180 ASP H H 8.8305 0.0000 1 610 381 180 ASP C C 176.2594 0.0000 1 611 381 180 ASP CA C 58.5994 0.0000 1 612 381 180 ASP CB C 43.6115 0.0000 1 613 381 180 ASP N N 117.2800 0.0000 1 614 382 181 SER H H 8.0824 0.0000 1 615 382 181 SER C C 176.5594 0.0000 1 616 382 181 SER CA C 61.2852 0.0000 1 617 382 181 SER N N 115.8623 0.0000 1 618 383 182 ASP H H 7.5012 0.0000 1 619 383 182 ASP CA C 56.6594 0.0000 1 620 383 182 ASP N N 122.9431 0.0000 1 621 392 191 ILE C C 177.6260 0.0000 1 622 393 192 LEU H H 7.4783 0.0000 1 623 393 192 LEU C C 173.2602 0.0000 1 624 393 192 LEU CA C 51.1562 0.0000 1 625 393 192 LEU N N 126.1230 0.0000 1 626 394 193 SER H H 6.8666 0.0000 1 627 394 193 SER C C 174.2087 0.0000 1 628 394 193 SER CA C 57.9321 0.0000 1 629 394 193 SER CB C 64.1969 0.0000 1 630 394 193 SER N N 114.0835 0.0000 1 631 395 194 GLY H H 8.6132 0.0000 1 632 395 194 GLY C C 172.6308 0.0000 1 633 395 194 GLY CA C 45.4301 0.0000 1 634 395 194 GLY N N 111.9726 0.0000 1 635 396 195 ASP H H 8.1125 0.0000 1 636 396 195 ASP C C 176.9098 0.0000 1 637 396 195 ASP CA C 51.8884 0.0000 1 638 396 195 ASP CB C 38.9150 0.0000 1 639 396 195 ASP N N 116.7390 0.0000 1 640 397 196 ARG H H 6.6270 0.0000 1 641 397 196 ARG CA C 52.0722 0.0000 1 642 397 196 ARG CB C 26.7570 0.0000 1 643 397 196 ARG N N 116.5934 0.0000 1 644 398 197 PRO C C 177.4748 0.0000 1 645 398 197 PRO CA C 62.7396 0.0000 1 646 398 197 PRO CB C 30.6022 0.0000 1 647 399 198 GLY H H 8.4413 0.0000 1 648 399 198 GLY C C 176.0447 0.0000 1 649 399 198 GLY CA C 45.0996 0.0000 1 650 399 198 GLY N N 107.8166 0.0000 1 651 400 199 LEU H H 6.7836 0.0000 1 652 400 199 LEU C C 177.1886 0.0000 1 653 400 199 LEU CA C 54.3018 0.0000 1 654 400 199 LEU CB C 42.1256 0.0000 1 655 400 199 LEU N N 120.1474 0.0000 1 656 401 200 LEU H H 11.5423 0.0000 1 657 401 200 LEU C C 178.8287 0.0000 1 658 401 200 LEU CA C 56.3877 0.0000 1 659 401 200 LEU N N 128.0106 0.0000 1 660 402 201 ASN H H 8.9733 0.0000 1 661 402 201 ASN C C 174.6457 0.0000 1 662 402 201 ASN CA C 50.7026 0.0000 1 663 402 201 ASN CB C 37.7488 0.0000 1 664 402 201 ASN N N 120.1181 0.0000 1 665 403 202 VAL H H 8.3282 0.0000 1 666 403 202 VAL C C 177.5712 0.0000 1 667 403 202 VAL CA C 65.9066 0.0000 1 668 403 202 VAL CB C 31.7877 0.0000 1 669 403 202 VAL N N 122.5853 0.0000 1 670 404 203 LYS H H 8.2546 0.0000 1 671 404 203 LYS CA C 60.2711 0.0000 1 672 404 203 LYS CB C 28.4091 0.0000 1 673 404 203 LYS N N 121.4507 0.0000 1 674 405 204 PRO C C 179.5333 0.0000 1 675 405 204 PRO CA C 65.1086 0.0000 1 676 405 204 PRO CB C 29.8839 0.0000 1 677 406 205 ILE H H 6.7042 0.0000 1 678 406 205 ILE C C 177.1042 0.0000 1 679 406 205 ILE CA C 64.9371 0.0000 1 680 406 205 ILE CB C 37.8792 0.0000 1 681 406 205 ILE N N 118.3910 0.0000 1 682 407 206 GLU H H 8.0152 0.0000 1 683 407 206 GLU C C 179.4178 0.0000 1 684 407 206 GLU CA C 58.9958 0.0000 1 685 407 206 GLU N N 120.4090 0.0000 1 686 408 207 ASP H H 8.4393 0.0000 1 687 408 207 ASP C C 179.5870 0.0000 1 688 408 207 ASP CA C 57.2336 0.0000 1 689 408 207 ASP N N 119.0639 0.0000 1 690 409 208 ILE H H 7.3662 0.0000 1 691 409 208 ILE C C 179.0710 0.0000 1 692 409 208 ILE CA C 64.9804 0.0000 1 693 409 208 ILE CB C 37.8288 0.0000 1 694 409 208 ILE N N 120.9837 0.0000 1 695 410 209 GLN H H 9.0359 0.0000 1 696 410 209 GLN C C 178.2786 0.0000 1 697 410 209 GLN CA C 59.6055 0.0000 1 698 410 209 GLN CB C 27.3051 0.0000 1 699 410 209 GLN N N 121.8600 0.0000 1 700 411 210 ASP H H 8.8338 0.0000 1 701 411 210 ASP C C 178.7888 0.0000 1 702 411 210 ASP CA C 57.5644 0.0000 1 703 411 210 ASP CB C 40.7489 0.0000 1 704 411 210 ASP N N 118.1855 0.0000 1 705 412 211 ASN H H 7.1280 0.0000 1 706 412 211 ASN C C 177.6002 0.0000 1 707 412 211 ASN CA C 56.1599 0.0000 1 708 412 211 ASN CB C 38.6043 0.0000 1 709 412 211 ASN N N 118.2454 0.0000 1 710 413 212 LEU H H 8.2615 0.0000 1 711 413 212 LEU C C 179.0714 0.0000 1 712 413 212 LEU CA C 57.4877 0.0000 1 713 413 212 LEU CB C 42.1256 0.0000 1 714 413 212 LEU N N 119.8100 0.0000 1 715 414 213 LEU H H 9.3123 0.0000 1 716 414 213 LEU C C 180.0523 0.0000 1 717 414 213 LEU CA C 58.1312 0.0000 1 718 414 213 LEU CB C 41.3408 0.0000 1 719 414 213 LEU N N 121.6378 0.0000 1 720 415 214 GLN H H 7.9208 0.0000 1 721 415 214 GLN C C 179.9636 0.0000 1 722 415 214 GLN CA C 58.8215 0.0000 1 723 415 214 GLN CB C 28.0460 0.0000 1 724 415 214 GLN N N 119.5031 0.0000 1 725 416 215 ALA H H 8.3798 0.0000 1 726 416 215 ALA C C 180.0097 0.0000 1 727 416 215 ALA CA C 54.4813 0.0000 1 728 416 215 ALA N N 122.8768 0.0000 1 729 417 216 LEU H H 9.0900 0.0000 1 730 417 216 LEU CA C 57.2956 0.0000 1 731 417 216 LEU N N 122.5628 0.0000 1 732 418 217 GLU C C 178.6364 0.0000 1 733 418 217 GLU CA C 59.9777 0.0000 1 734 418 217 GLU CB C 27.8659 0.0000 1 735 419 218 LEU H H 7.3619 0.0000 1 736 419 218 LEU C C 177.4649 0.0000 1 737 419 218 LEU CA C 57.3476 0.0000 1 738 419 218 LEU CB C 40.5277 0.0000 1 739 419 218 LEU N N 118.6066 0.0000 1 740 420 219 GLN H H 7.8966 0.0000 1 741 420 219 GLN C C 178.0159 0.0000 1 742 420 219 GLN CA C 57.7363 0.0000 1 743 420 219 GLN CB C 26.5017 0.0000 1 744 420 219 GLN N N 118.5213 0.0000 1 745 421 220 LEU H H 8.4704 0.0000 1 746 421 220 LEU C C 179.4723 0.0000 1 747 421 220 LEU CA C 57.6592 0.0000 1 748 421 220 LEU CB C 39.9914 0.0000 1 749 421 220 LEU N N 117.1302 0.0000 1 750 422 221 LYS H H 7.7075 0.0000 1 751 422 221 LYS C C 178.5642 0.0000 1 752 422 221 LYS CA C 58.7967 0.0000 1 753 422 221 LYS CB C 31.3009 0.0000 1 754 422 221 LYS N N 121.0212 0.0000 1 755 423 222 LEU H H 7.8782 0.0000 1 756 423 222 LEU C C 179.1636 0.0000 1 757 423 222 LEU CA C 56.1313 0.0000 1 758 423 222 LEU CB C 41.2720 0.0000 1 759 423 222 LEU N N 116.8770 0.0000 1 760 424 223 ASN H H 8.3737 0.0000 1 761 424 223 ASN C C 175.0743 0.0000 1 762 424 223 ASN CA C 52.8093 0.0000 1 763 424 223 ASN CB C 40.1656 0.0000 1 764 424 223 ASN N N 115.9270 0.0000 1 765 425 224 HIS H H 7.7075 0.0000 1 766 425 224 HIS CA C 51.7845 0.0000 1 767 425 224 HIS CB C 28.2223 0.0000 1 768 425 224 HIS N N 114.9431 0.0000 1 769 426 225 PRO C C 178.0448 0.0000 1 770 426 225 PRO CA C 64.4686 0.0000 1 771 426 225 PRO CB C 31.0444 0.0000 1 772 427 226 GLU H H 8.9160 0.0000 1 773 427 226 GLU C C 176.5682 0.0000 1 774 427 226 GLU CA C 56.0154 0.0000 1 775 427 226 GLU CB C 27.7703 0.0000 1 776 427 226 GLU N N 117.5718 0.0000 1 777 428 227 SER H H 7.5554 0.0000 1 778 428 227 SER CA C 56.4162 0.0000 1 779 428 227 SER CB C 62.6878 0.0000 1 780 428 227 SER N N 117.0041 0.0000 1 781 430 229 GLN C C 175.4911 0.0000 1 782 430 229 GLN CB C 26.9184 0.0000 1 783 431 230 LEU H H 7.1702 0.0000 1 784 431 230 LEU C C 177.4202 0.0000 1 785 431 230 LEU CA C 57.9492 0.0000 1 786 431 230 LEU CB C 40.5297 0.0000 1 787 431 230 LEU N N 121.2669 0.0000 1 788 432 231 PHE H H 8.6130 0.0000 1 789 432 231 PHE C C 175.8886 0.0000 1 790 432 231 PHE CA C 60.9903 0.0000 1 791 432 231 PHE CB C 37.9007 0.0000 1 792 432 231 PHE N N 118.7746 0.0000 1 793 433 232 ALA H H 7.9121 0.0000 1 794 433 232 ALA C C 181.5946 0.0000 1 795 433 232 ALA CA C 54.7178 0.0000 1 796 433 232 ALA CB C 17.1783 0.0000 1 797 433 232 ALA N N 120.2237 0.0000 1 798 434 233 LYS H H 8.0882 0.0000 1 799 434 233 LYS C C 179.8886 0.0000 1 800 434 233 LYS CA C 58.8853 0.0000 1 801 434 233 LYS CB C 31.5798 0.0000 1 802 434 233 LYS N N 118.4192 0.0000 1 803 435 234 LEU H H 8.5774 0.0000 1 804 435 234 LEU C C 178.8492 0.0000 1 805 435 234 LEU CA C 57.1828 0.0000 1 806 435 234 LEU N N 122.5162 0.0000 1 807 436 235 LEU H H 8.0127 0.0000 1 808 436 235 LEU C C 181.2726 0.0000 1 809 436 235 LEU CA C 57.6874 0.0000 1 810 436 235 LEU CB C 39.1969 0.0000 1 811 436 235 LEU N N 119.5161 0.0000 1 812 437 236 GLN H H 7.4813 0.0000 1 813 437 236 GLN CA C 58.0697 0.0000 1 814 437 236 GLN CB C 27.0508 0.0000 1 815 437 236 GLN N N 118.7815 0.0000 1 816 438 237 LYS H H 7.8642 0.0000 1 817 438 237 LYS C C 178.5666 0.0000 1 818 438 237 LYS CA C 58.2018 0.0000 1 819 438 237 LYS N N 117.4327 0.0000 1 820 439 238 MET H H 8.2240 0.0000 1 821 439 238 MET C C 178.6097 0.0000 1 822 439 238 MET CA C 57.8048 0.0000 1 823 439 238 MET N N 119.3880 0.0000 1 824 440 239 THR H H 7.4498 0.0000 1 825 440 239 THR CA C 65.9186 0.0000 1 826 440 239 THR CB C 68.0081 0.0000 1 827 440 239 THR N N 116.0867 0.0000 1 828 441 240 ASP H H 7.8879 0.0000 1 829 441 240 ASP CB C 39.7385 0.0000 1 830 441 240 ASP N N 119.8046 0.0000 1 831 442 241 LEU C C 178.0864 0.0000 1 832 442 241 LEU CA C 57.6105 0.0000 1 833 443 242 ARG H H 7.2423 0.0000 1 834 443 242 ARG C C 179.2439 0.0000 1 835 443 242 ARG CA C 59.2432 0.0000 1 836 443 242 ARG N N 116.7967 0.0000 1 837 444 243 GLN H H 7.3142 0.0000 1 838 444 243 GLN C C 178.3219 0.0000 1 839 444 243 GLN CA C 57.7954 0.0000 1 840 444 243 GLN N N 119.0879 0.0000 1 841 445 244 ILE H H 7.7050 0.0000 1 842 445 244 ILE C C 180.0095 0.0000 1 843 445 244 ILE CA C 64.1703 0.0000 1 844 445 244 ILE N N 119.5665 0.0000 1 845 446 245 VAL H H 7.9403 0.0000 1 846 446 245 VAL CA C 66.3652 0.0000 1 847 446 245 VAL N N 121.6799 0.0000 1 848 450 249 VAL C C 175.3412 0.0000 1 849 451 250 GLN C C 179.0096 0.0000 1 850 451 250 GLN CA C 58.6733 0.0000 1 851 452 251 LEU H H 7.7512 0.0000 1 852 452 251 LEU CA C 57.1745 0.0000 1 853 452 251 LEU N N 122.8984 0.0000 1 854 453 252 LEU H H 8.1156 0.0000 1 855 453 252 LEU CA C 57.4835 0.0000 1 856 453 252 LEU N N 119.4487 0.0000 1 857 454 253 GLN H H 7.6627 0.0000 1 858 454 253 GLN CA C 58.0329 0.0000 1 859 454 253 GLN N N 117.2851 0.0000 1 860 455 254 VAL H H 7.5246 0.0000 1 861 455 254 VAL CA C 66.0787 0.0000 1 862 455 254 VAL N N 121.7827 0.0000 1 863 457 256 LYS C C 177.9007 0.0000 1 864 457 256 LYS CA C 58.4854 0.0000 1 865 458 257 LYS H H 7.4134 0.0000 1 866 458 257 LYS C C 177.9641 0.0000 1 867 458 257 LYS CA C 57.6322 0.0000 1 868 458 257 LYS N N 115.5244 0.0000 1 869 459 258 THR H H 7.6056 0.0000 1 870 459 258 THR C C 175.0209 0.0000 1 871 459 258 THR CA C 62.8020 0.0000 1 872 459 258 THR N N 108.8037 0.0000 1 873 460 259 GLU H H 8.0310 0.0000 1 874 460 259 GLU CA C 54.5402 0.0000 1 875 460 259 GLU N N 123.2464 0.0000 1 876 475 274 ASP C C 175.6244 0.0000 1 877 475 274 ASP CA C 54.9160 0.0000 1 878 476 275 LEU H H 7.6953 0.0000 1 879 476 275 LEU C C 175.8406 0.0000 1 880 476 275 LEU CA C 55.3144 0.0000 1 881 476 275 LEU N N 120.6915 0.0000 1 882 477 276 TYR H H 7.3849 0.0000 1 883 477 276 TYR CA C 58.6926 0.0000 1 884 477 276 TYR N N 123.5234 0.0000 1 stop_ save_