data_50000 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; PPARg LBD bound to the inverse agonist T0070907 and NCoR corepressor peptide ; _BMRB_accession_number 50000 _BMRB_flat_file_name bmr50000.str _Entry_type original _Submission_date 2019-07-17 _Accession_date 2019-07-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kojetin Douglas . . 2 Shang Jinsai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 237 "13C chemical shifts" 739 "15N chemical shifts" 237 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-21 original BMRB . stop_ _Original_release_date 2019-07-24 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; A molecular switch regulating transcriptional repression and activation of PPARgamma ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32075969 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shang Jinsai . . 2 Mosure Sarah A. . 3 Zheng Jie . . 4 Brust Richard . . 5 Bass Jared . . 6 Nichols Ashley . . 7 Solt Laura A. . 8 Griffin Patrick R. . 9 Kojetin Douglas J. . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 11 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 956 _Page_last 956 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name PPARGmonomer _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PPARG $entity_1 T0070907 $entity_EEY 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 277 _Mol_residue_sequence ; GSQLNPESADLRALAKHLYD SYIKSFPLTKAKARAILTGK TTDKSPFVIYDMNSLMMGED KIKFKHITPLQEQSKEVAIR IFQGCQFRSVEAVQEITEYA KSIPGFVNLDLNDQVTLLKY GVHEIIYTMLASLMNKDGVL ISEGQGFMTREFLKSLRKPF GDFMEPKFEFAVKFNALELD DSDLAIFIAVIILSGDRPGL LNVKPIEDIQDNLLQALELQ LKLNHPESSQLFAKLLQKMT DLRQIVTEHVQLLQVIKKTE TDMSLHPLLQEIYKDLY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 201 GLY 2 202 SER 3 203 GLN 4 204 LEU 5 205 ASN 6 206 PRO 7 207 GLU 8 208 SER 9 209 ALA 10 210 ASP 11 211 LEU 12 212 ARG 13 213 ALA 14 214 LEU 15 215 ALA 16 216 LYS 17 217 HIS 18 218 LEU 19 219 TYR 20 220 ASP 21 221 SER 22 222 TYR 23 223 ILE 24 224 LYS 25 225 SER 26 226 PHE 27 227 PRO 28 228 LEU 29 229 THR 30 230 LYS 31 231 ALA 32 232 LYS 33 233 ALA 34 234 ARG 35 235 ALA 36 236 ILE 37 237 LEU 38 238 THR 39 239 GLY 40 240 LYS 41 241 THR 42 242 THR 43 243 ASP 44 244 LYS 45 245 SER 46 246 PRO 47 247 PHE 48 248 VAL 49 249 ILE 50 250 TYR 51 251 ASP 52 252 MET 53 253 ASN 54 254 SER 55 255 LEU 56 256 MET 57 257 MET 58 258 GLY 59 259 GLU 60 260 ASP 61 261 LYS 62 262 ILE 63 263 LYS 64 264 PHE 65 265 LYS 66 266 HIS 67 267 ILE 68 268 THR 69 269 PRO 70 270 LEU 71 271 GLN 72 272 GLU 73 273 GLN 74 274 SER 75 275 LYS 76 276 GLU 77 277 VAL 78 278 ALA 79 279 ILE 80 280 ARG 81 281 ILE 82 282 PHE 83 283 GLN 84 284 GLY 85 285 CYS 86 286 GLN 87 287 PHE 88 288 ARG 89 289 SER 90 290 VAL 91 291 GLU 92 292 ALA 93 293 VAL 94 294 GLN 95 295 GLU 96 296 ILE 97 297 THR 98 298 GLU 99 299 TYR 100 300 ALA 101 301 LYS 102 302 SER 103 303 ILE 104 304 PRO 105 305 GLY 106 306 PHE 107 307 VAL 108 308 ASN 109 309 LEU 110 310 ASP 111 311 LEU 112 312 ASN 113 313 ASP 114 314 GLN 115 315 VAL 116 316 THR 117 317 LEU 118 318 LEU 119 319 LYS 120 320 TYR 121 321 GLY 122 322 VAL 123 323 HIS 124 324 GLU 125 325 ILE 126 326 ILE 127 327 TYR 128 328 THR 129 329 MET 130 330 LEU 131 331 ALA 132 332 SER 133 333 LEU 134 334 MET 135 335 ASN 136 336 LYS 137 337 ASP 138 338 GLY 139 339 VAL 140 340 LEU 141 341 ILE 142 342 SER 143 343 GLU 144 344 GLY 145 345 GLN 146 346 GLY 147 347 PHE 148 348 MET 149 349 THR 150 350 ARG 151 351 GLU 152 352 PHE 153 353 LEU 154 354 LYS 155 355 SER 156 356 LEU 157 357 ARG 158 358 LYS 159 359 PRO 160 360 PHE 161 361 GLY 162 362 ASP 163 363 PHE 164 364 MET 165 365 GLU 166 366 PRO 167 367 LYS 168 368 PHE 169 369 GLU 170 370 PHE 171 371 ALA 172 372 VAL 173 373 LYS 174 374 PHE 175 375 ASN 176 376 ALA 177 377 LEU 178 378 GLU 179 379 LEU 180 380 ASP 181 381 ASP 182 382 SER 183 383 ASP 184 384 LEU 185 385 ALA 186 386 ILE 187 387 PHE 188 388 ILE 189 389 ALA 190 390 VAL 191 391 ILE 192 392 ILE 193 393 LEU 194 394 SER 195 395 GLY 196 396 ASP 197 397 ARG 198 398 PRO 199 399 GLY 200 400 LEU 201 401 LEU 202 402 ASN 203 403 VAL 204 404 LYS 205 405 PRO 206 406 ILE 207 407 GLU 208 408 ASP 209 409 ILE 210 410 GLN 211 411 ASP 212 412 ASN 213 413 LEU 214 414 LEU 215 415 GLN 216 416 ALA 217 417 LEU 218 418 GLU 219 419 LEU 220 420 GLN 221 421 LEU 222 422 LYS 223 423 LEU 224 424 ASN 225 425 HIS 226 426 PRO 227 427 GLU 228 428 SER 229 429 SER 230 430 GLN 231 431 LEU 232 432 PHE 233 433 ALA 234 434 LYS 235 435 LEU 236 436 LEU 237 437 GLN 238 438 LYS 239 439 MET 240 440 THR 241 441 ASP 242 442 LEU 243 443 ARG 244 444 GLN 245 445 ILE 246 446 VAL 247 447 THR 248 448 GLU 249 449 HIS 250 450 VAL 251 451 GLN 252 452 LEU 253 453 LEU 254 454 GLN 255 455 VAL 256 456 ILE 257 457 LYS 258 458 LYS 259 459 THR 260 460 GLU 261 461 THR 262 462 ASP 263 463 MET 264 464 SER 265 465 LEU 266 466 HIS 267 467 PRO 268 468 LEU 269 469 LEU 270 470 GLN 271 471 GLU 272 472 ILE 273 473 TYR 274 474 LYS 275 475 ASP 276 476 LEU 277 477 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_EEY _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_EEY (2-chloro-5-nitro-N-(pyridin-4-yl)benzamide)" _BMRB_code EEY _PDB_code EEY _Molecular_mass 277.663 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C10 C10 C . 0 . ? N12 N12 N . 0 . ? C13 C13 C . 0 . ? C15 C15 C . 0 . ? C17 C17 C . 0 . ? C01 C01 C . 0 . ? C02 C02 C . 0 . ? C03 C03 C . 0 . ? C04 C04 C . 0 . ? C05 C05 C . 0 . ? C06 C06 C . 0 . ? C14 C14 C . 0 . ? C18 C18 C . 0 . ? N07 N07 N . 1 . ? N16 N16 N . 0 . ? O08 O08 O . -1 . ? O09 O09 O . 0 . ? O11 O11 O . 0 . ? CL1 CL1 CL . 0 . ? H1 H1 H . 0 . ? H2 H2 H . 0 . ? H3 H3 H . 0 . ? H4 H4 H . 0 . ? H5 H5 H . 0 . ? H6 H6 H . 0 . ? H7 H7 H . 0 . ? H8 H8 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 DOUB C17 C18 ? ? SING C17 N16 ? ? SING C18 C13 ? ? DOUB N16 C15 ? ? DOUB C13 C14 ? ? SING C13 N12 ? ? SING C15 C14 ? ? DOUB O11 C10 ? ? SING C10 N12 ? ? SING C10 C04 ? ? DOUB C03 C04 ? ? SING C03 C02 ? ? SING C04 C05 ? ? DOUB C02 C01 ? ? DOUB C05 C06 ? ? SING C01 C06 ? ? SING C06 N07 ? ? DOUB N07 O09 ? ? SING N07 O08 ? ? SING C03 CL1 ? ? SING N12 H1 ? ? SING C15 H2 ? ? SING C17 H3 ? ? SING C01 H4 ? ? SING C02 H5 ? ? SING C05 H6 ? ? SING C14 H7 ? ? SING C18 H8 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET46 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 $entity_1 1 mM '[U-100% 13C; U-100% 15N; U-70% 2H]' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' tris(2-carboxyethyl)phosphine 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'NMRFx Processor' _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(CA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 70 . mM pH 7.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'external DSS' loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HN(CA)CO' '3D HNCA' '3D HN(CO)CA' '3D HN(CA)CB' '3D HN(COCA)CB' '2D 1H-15N TROSY HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name PPARG _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 3 GLN C C 175.6936 0.0000 1 2 203 3 GLN CA C 55.2202 0.0000 1 3 203 3 GLN CB C 28.7104 0.0000 1 4 204 4 LEU H H 8.3779 0.0000 1 5 204 4 LEU C C 176.5411 0.0000 1 6 204 4 LEU CA C 54.4320 0.0000 1 7 204 4 LEU CB C 41.1385 0.0000 1 8 204 4 LEU N N 123.7862 0.0000 1 9 205 5 ASN H H 8.4496 0.0000 1 10 205 5 ASN C C 173.2867 0.0000 1 11 205 5 ASN CA C 50.8110 0.0000 1 12 205 5 ASN CB C 37.8542 0.0000 1 13 205 5 ASN N N 120.9855 0.0000 1 14 206 6 PRO C C 177.2196 0.0000 1 15 206 6 PRO CA C 63.1974 0.0000 1 16 206 6 PRO CB C 30.8770 0.0000 1 17 207 7 GLU H H 8.5781 0.0000 1 18 207 7 GLU C C 177.3983 0.0000 1 19 207 7 GLU CA C 56.0901 0.0000 1 20 207 7 GLU N N 119.9168 0.0000 1 21 208 8 SER H H 8.2286 0.0000 1 22 208 8 SER CA C 59.2996 0.0000 1 23 208 8 SER CB C 62.4464 0.0000 1 24 208 8 SER N N 116.9884 0.0000 1 25 209 9 ALA H H 8.3496 0.0000 1 26 209 9 ALA C C 179.4786 0.0000 1 27 209 9 ALA CA C 53.7519 0.0000 1 28 209 9 ALA CB C 17.5774 0.0000 1 29 209 9 ALA N N 124.6653 0.0000 1 30 210 10 ASP H H 7.9304 0.0000 1 31 210 10 ASP C C 178.5889 0.0000 1 32 210 10 ASP CA C 55.1190 0.0000 1 33 210 10 ASP CB C 39.5164 0.0000 1 34 210 10 ASP N N 119.0525 0.0000 1 35 211 11 LEU H H 8.0562 0.0000 1 36 211 11 LEU C C 181.2390 0.0000 1 37 211 11 LEU CA C 56.9458 0.0000 1 38 211 11 LEU CB C 41.2191 0.0000 1 39 211 11 LEU N N 122.6261 0.0000 1 40 212 12 ARG H H 8.2884 0.0000 1 41 212 12 ARG C C 178.9789 0.0000 1 42 212 12 ARG CA C 56.8628 0.0000 1 43 212 12 ARG CB C 26.6717 0.0000 1 44 212 12 ARG N N 120.9808 0.0000 1 45 213 13 ALA H H 8.1054 0.0000 1 46 213 13 ALA C C 180.7278 0.0000 1 47 213 13 ALA CA C 54.2984 0.0000 1 48 213 13 ALA CB C 16.7204 0.0000 1 49 213 13 ALA N N 124.6858 0.0000 1 50 214 14 LEU H H 7.9312 0.0000 1 51 214 14 LEU C C 177.9748 0.0000 1 52 214 14 LEU CA C 57.2736 0.0000 1 53 214 14 LEU CB C 40.2120 0.0000 1 54 214 14 LEU N N 121.1823 0.0000 1 55 215 15 ALA H H 7.5299 0.0000 1 56 215 15 ALA C C 179.7040 0.0000 1 57 215 15 ALA CA C 55.3214 0.0000 1 58 215 15 ALA CB C 17.9327 0.0000 1 59 215 15 ALA N N 120.2940 0.0000 1 60 216 16 LYS H H 7.9019 0.0000 1 61 216 16 LYS C C 177.6187 0.0000 1 62 216 16 LYS CA C 58.5100 0.0000 1 63 216 16 LYS CB C 30.9534 0.0000 1 64 216 16 LYS N N 119.9453 0.0000 1 65 217 17 HIS H H 8.3822 0.0000 1 66 217 17 HIS C C 178.6870 0.0000 1 67 217 17 HIS CA C 58.7328 0.0000 1 68 217 17 HIS CB C 28.8190 0.0000 1 69 217 17 HIS N N 119.2219 0.0000 1 70 218 18 LEU H H 8.4755 0.0000 1 71 218 18 LEU C C 178.4786 0.0000 1 72 218 18 LEU CA C 57.0023 0.0000 1 73 218 18 LEU CB C 38.2494 0.0000 1 74 218 18 LEU N N 118.9795 0.0000 1 75 219 19 TYR H H 8.2263 0.0000 1 76 219 19 TYR C C 176.6542 0.0000 1 77 219 19 TYR CA C 60.0285 0.0000 1 78 219 19 TYR CB C 36.3821 0.0000 1 79 219 19 TYR N N 120.3713 0.0000 1 80 220 20 ASP H H 8.6244 0.0000 1 81 220 20 ASP C C 179.6004 0.0000 1 82 220 20 ASP CA C 56.7700 0.0000 1 83 220 20 ASP CB C 39.0748 0.0000 1 84 220 20 ASP N N 119.1576 0.0000 1 85 221 21 SER H H 7.9514 0.0000 1 86 221 21 SER CA C 60.5579 0.0000 1 87 221 21 SER CB C 61.7433 0.0000 1 88 221 21 SER N N 115.3352 0.0000 1 89 222 22 TYR H H 9.0959 0.0000 1 90 222 22 TYR C C 176.4211 0.0000 1 91 222 22 TYR CA C 60.6681 0.0000 1 92 222 22 TYR CB C 37.8181 0.0000 1 93 222 22 TYR N N 128.8022 0.0000 1 94 223 23 ILE H H 8.3189 0.0000 1 95 223 23 ILE C C 178.9280 0.0000 1 96 223 23 ILE CA C 60.7308 0.0000 1 97 223 23 ILE CB C 35.1537 0.0000 1 98 223 23 ILE N N 118.2525 0.0000 1 99 224 24 LYS H H 7.1900 0.0000 1 100 224 24 LYS C C 177.9396 0.0000 1 101 224 24 LYS CA C 57.8407 0.0000 1 102 224 24 LYS CB C 31.5559 0.0000 1 103 224 24 LYS N N 118.5180 0.0000 1 104 225 25 SER H H 7.4173 0.0000 1 105 225 25 SER C C 172.7926 0.0000 1 106 225 25 SER CA C 61.0949 0.0000 1 107 225 25 SER CB C 63.5872 0.0000 1 108 225 25 SER N N 114.4422 0.0000 1 109 226 26 PHE H H 7.3542 0.0000 1 110 226 26 PHE C C 173.3308 0.0000 1 111 226 26 PHE CA C 53.5590 0.0000 1 112 226 26 PHE CB C 37.1640 0.0000 1 113 226 26 PHE N N 118.2889 0.0000 1 114 227 27 PRO C C 177.6291 0.0000 1 115 227 27 PRO CA C 63.4627 0.0000 1 116 227 27 PRO CB C 31.2309 0.0000 1 117 228 28 LEU H H 8.0224 0.0000 1 118 228 28 LEU C C 175.0378 0.0000 1 119 228 28 LEU CA C 53.3014 0.0000 1 120 228 28 LEU CB C 39.4220 0.0000 1 121 228 28 LEU N N 120.8429 0.0000 1 122 229 29 THR H H 6.7372 0.0000 1 123 229 29 THR C C 174.3409 0.0000 1 124 229 29 THR CA C 59.4515 0.0000 1 125 229 29 THR CB C 69.1024 0.0000 1 126 229 29 THR N N 114.3853 0.0000 1 127 230 30 LYS H H 10.6375 0.0000 1 128 230 30 LYS C C 179.2032 0.0000 1 129 230 30 LYS CA C 60.0293 0.0000 1 130 230 30 LYS CB C 30.6347 0.0000 1 131 230 30 LYS N N 125.7399 0.0000 1 132 231 31 ALA H H 9.0524 0.0000 1 133 231 31 ALA C C 181.3723 0.0000 1 134 231 31 ALA CA C 54.4955 0.0000 1 135 231 31 ALA CB C 17.1422 0.0000 1 136 231 31 ALA N N 120.4761 0.0000 1 137 232 32 LYS H H 7.6261 0.0000 1 138 232 32 LYS C C 178.7228 0.0000 1 139 232 32 LYS CA C 58.6838 0.0000 1 140 232 32 LYS CB C 31.6585 0.0000 1 141 232 32 LYS N N 118.9058 0.0000 1 142 233 33 ALA H H 8.1308 0.0000 1 143 233 33 ALA C C 179.8157 0.0000 1 144 233 33 ALA CA C 54.8277 0.0000 1 145 233 33 ALA CB C 17.8598 0.0000 1 146 233 33 ALA N N 122.5598 0.0000 1 147 234 34 ARG H H 8.9863 0.0000 1 148 234 34 ARG C C 179.4427 0.0000 1 149 234 34 ARG CA C 57.0700 0.0000 1 150 234 34 ARG CB C 27.2874 0.0000 1 151 234 34 ARG N N 114.9703 0.0000 1 152 235 35 ALA H H 7.6160 0.0000 1 153 235 35 ALA C C 179.6774 0.0000 1 154 235 35 ALA CA C 54.4423 0.0000 1 155 235 35 ALA CB C 16.7884 0.0000 1 156 235 35 ALA N N 122.8158 0.0000 1 157 236 36 ILE H H 7.5226 0.0000 1 158 236 36 ILE C C 179.1513 0.0000 1 159 236 36 ILE CA C 64.1927 0.0000 1 160 236 36 ILE CB C 37.1815 0.0000 1 161 236 36 ILE N N 118.4645 0.0000 1 162 237 37 LEU H H 8.0334 0.0000 1 163 237 37 LEU C C 178.3970 0.0000 1 164 237 37 LEU CA C 56.8238 0.0000 1 165 237 37 LEU CB C 41.7913 0.0000 1 166 237 37 LEU N N 119.0355 0.0000 1 167 238 38 THR H H 7.8129 0.0000 1 168 238 38 THR C C 175.5467 0.0000 1 169 238 38 THR CA C 61.3518 0.0000 1 170 238 38 THR CB C 69.4030 0.0000 1 171 238 38 THR N N 107.4013 0.0000 1 172 239 39 GLY H H 7.5548 0.0000 1 173 239 39 GLY C C 174.6862 0.0000 1 174 239 39 GLY CA C 45.7155 0.0000 1 175 239 39 GLY N N 110.2967 0.0000 1 176 240 40 LYS H H 8.2077 0.0000 1 177 240 40 LYS C C 176.9649 0.0000 1 178 240 40 LYS CA C 55.3615 0.0000 1 179 240 40 LYS CB C 31.4038 0.0000 1 180 240 40 LYS N N 120.1496 0.0000 1 181 241 41 THR H H 7.8433 0.0000 1 182 241 41 THR C C 174.7946 0.0000 1 183 241 41 THR CA C 60.5873 0.0000 1 184 241 41 THR CB C 68.7058 0.0000 1 185 241 41 THR N N 113.0936 0.0000 1 186 242 42 THR H H 8.1955 0.0000 1 187 242 42 THR C C 174.9304 0.0000 1 188 242 42 THR CA C 61.5976 0.0000 1 189 242 42 THR CB C 68.8269 0.0000 1 190 242 42 THR N N 115.0085 0.0000 1 191 243 43 ASP H H 8.3207 0.0000 1 192 243 43 ASP C C 175.7117 0.0000 1 193 243 43 ASP CA C 54.2254 0.0000 1 194 243 43 ASP CB C 40.0360 0.0000 1 195 243 43 ASP N N 120.9795 0.0000 1 196 244 44 LYS H H 7.8477 0.0000 1 197 244 44 LYS C C 175.8569 0.0000 1 198 244 44 LYS CA C 54.8124 0.0000 1 199 244 44 LYS CB C 31.9429 0.0000 1 200 244 44 LYS N N 119.4050 0.0000 1 201 245 45 SER H H 8.1089 0.0000 1 202 245 45 SER C C 172.0881 0.0000 1 203 245 45 SER CA C 56.2942 0.0000 1 204 245 45 SER CB C 62.2660 0.0000 1 205 245 45 SER N N 119.1267 0.0000 1 206 246 46 PRO C C 175.8147 0.0000 1 207 246 46 PRO CA C 62.1916 0.0000 1 208 246 46 PRO CB C 30.6808 0.0000 1 209 247 47 PHE H H 8.0852 0.0000 1 210 247 47 PHE C C 174.7040 0.0000 1 211 247 47 PHE CA C 58.0438 0.0000 1 212 247 47 PHE CB C 38.6648 0.0000 1 213 247 47 PHE N N 124.5388 0.0000 1 214 248 48 VAL H H 7.8886 0.0000 1 215 248 48 VAL C C 174.3519 0.0000 1 216 248 48 VAL CA C 62.4607 0.0000 1 217 248 48 VAL CB C 30.6754 0.0000 1 218 248 48 VAL N N 129.6678 0.0000 1 219 249 49 ILE H H 9.1552 0.0000 1 220 249 49 ILE C C 173.5626 0.0000 1 221 249 49 ILE CA C 60.7312 0.0000 1 222 249 49 ILE CB C 37.7023 0.0000 1 223 249 49 ILE N N 128.2665 0.0000 1 224 250 50 TYR H H 7.9447 0.0000 1 225 250 50 TYR C C 172.9340 0.0000 1 226 250 50 TYR CA C 54.1756 0.0000 1 227 250 50 TYR CB C 39.6965 0.0000 1 228 250 50 TYR N N 121.8786 0.0000 1 229 251 51 ASP H H 7.0193 0.0000 1 230 251 51 ASP C C 173.8700 0.0000 1 231 251 51 ASP CA C 51.7826 0.0000 1 232 251 51 ASP CB C 38.6013 0.0000 1 233 251 51 ASP N N 120.6785 0.0000 1 234 252 52 MET H H 8.1938 0.0000 1 235 252 52 MET C C 178.0001 0.0000 1 236 252 52 MET CA C 55.8172 0.0000 1 237 252 52 MET CB C 28.6287 0.0000 1 238 252 52 MET N N 116.1016 0.0000 1 239 253 53 ASN H H 7.6880 0.0000 1 240 253 53 ASN C C 177.6715 0.0000 1 241 253 53 ASN CA C 56.1285 0.0000 1 242 253 53 ASN CB C 37.4308 0.0000 1 243 253 53 ASN N N 117.9528 0.0000 1 244 254 54 SER H H 8.8321 0.0000 1 245 254 54 SER CA C 61.0287 0.0000 1 246 254 54 SER CB C 62.0937 0.0000 1 247 254 54 SER N N 117.1244 0.0000 1 248 255 55 LEU H H 7.7612 0.0000 1 249 255 55 LEU C C 177.6897 0.0000 1 250 255 55 LEU CA C 58.2426 0.0000 1 251 255 55 LEU CB C 39.8435 0.0000 1 252 255 55 LEU N N 124.4535 0.0000 1 253 256 56 MET H H 7.5462 0.0000 1 254 256 56 MET C C 180.4557 0.0000 1 255 256 56 MET CA C 57.1156 0.0000 1 256 256 56 MET CB C 30.2596 0.0000 1 257 256 56 MET N N 114.5404 0.0000 1 258 257 57 MET H H 7.9862 0.0000 1 259 257 57 MET C C 177.7135 0.0000 1 260 257 57 MET CA C 56.9469 0.0000 1 261 257 57 MET CB C 31.8629 0.0000 1 262 257 57 MET N N 119.4140 0.0000 1 263 258 58 GLY H H 8.2542 0.0000 1 264 258 58 GLY C C 174.3997 0.0000 1 265 258 58 GLY CA C 45.5530 0.0000 1 266 258 58 GLY N N 108.3641 0.0000 1 267 259 59 GLU H H 7.4304 0.0000 1 268 259 59 GLU C C 176.7023 0.0000 1 269 259 59 GLU CA C 58.9652 0.0000 1 270 259 59 GLU CB C 28.4340 0.0000 1 271 259 59 GLU N N 120.8039 0.0000 1 272 260 60 ASP H H 7.7457 0.0000 1 273 260 60 ASP C C 176.8784 0.0000 1 274 260 60 ASP CA C 54.5437 0.0000 1 275 260 60 ASP CB C 40.2920 0.0000 1 276 260 60 ASP N N 114.9679 0.0000 1 277 261 61 LYS H H 7.4009 0.0000 1 278 261 61 LYS C C 176.2870 0.0000 1 279 261 61 LYS CA C 55.5701 0.0000 1 280 261 61 LYS CB C 32.3519 0.0000 1 281 261 61 LYS N N 117.3083 0.0000 1 282 262 62 ILE H H 7.5763 0.0000 1 283 262 62 ILE C C 174.3928 0.0000 1 284 262 62 ILE CA C 60.0978 0.0000 1 285 262 62 ILE CB C 38.0969 0.0000 1 286 262 62 ILE N N 118.7139 0.0000 1 287 263 63 LYS H H 7.9605 0.0000 1 288 263 63 LYS C C 175.9446 0.0000 1 289 263 63 LYS CA C 54.6485 0.0000 1 290 263 63 LYS N N 122.9790 0.0000 1 291 264 64 PHE H H 8.1630 0.0000 1 292 264 64 PHE C C 176.2648 0.0000 1 293 264 64 PHE CA C 57.3599 0.0000 1 294 264 64 PHE CB C 38.7154 0.0000 1 295 264 64 PHE N N 123.2139 0.0000 1 296 265 65 LYS H H 8.6337 0.0000 1 297 265 65 LYS C C 176.3792 0.0000 1 298 265 65 LYS CA C 56.1953 0.0000 1 299 265 65 LYS CB C 31.6548 0.0000 1 300 265 65 LYS N N 122.7715 0.0000 1 301 266 66 HIS H H 8.4484 0.0000 1 302 266 66 HIS C C 174.2799 0.0000 1 303 266 66 HIS CA C 54.6770 0.0000 1 304 266 66 HIS CB C 28.3494 0.0000 1 305 266 66 HIS N N 119.7566 0.0000 1 306 267 67 ILE H H 8.1601 0.0000 1 307 267 67 ILE C C 175.9395 0.0000 1 308 267 67 ILE CA C 60.1745 0.0000 1 309 267 67 ILE CB C 37.9153 0.0000 1 310 267 67 ILE N N 123.1023 0.0000 1 311 268 68 THR H H 8.2895 0.0000 1 312 268 68 THR C C 172.2827 0.0000 1 313 268 68 THR CA C 59.2303 0.0000 1 314 268 68 THR CB C 69.1003 0.0000 1 315 268 68 THR N N 122.5609 0.0000 1 316 269 69 PRO C C 176.5769 0.0000 1 317 269 69 PRO CA C 62.2337 0.0000 1 318 269 69 PRO CB C 30.9318 0.0000 1 319 270 70 LEU H H 7.8862 0.0000 1 320 270 70 LEU C C 177.4039 0.0000 1 321 270 70 LEU CA C 54.9467 0.0000 1 322 270 70 LEU CB C 41.1419 0.0000 1 323 270 70 LEU N N 122.1536 0.0000 1 324 271 71 GLN H H 8.0505 0.0000 1 325 271 71 GLN C C 175.7171 0.0000 1 326 271 71 GLN CA C 55.2725 0.0000 1 327 271 71 GLN CB C 28.4944 0.0000 1 328 271 71 GLN N N 119.4100 0.0000 1 329 272 72 GLU H H 8.2409 0.0000 1 330 272 72 GLU C C 176.1606 0.0000 1 331 272 72 GLU CA C 55.9502 0.0000 1 332 272 72 GLU CB C 29.0464 0.0000 1 333 272 72 GLU N N 121.7757 0.0000 1 334 273 73 GLN H H 8.3187 0.0000 1 335 273 73 GLN C C 176.0253 0.0000 1 336 273 73 GLN CA C 54.9956 0.0000 1 337 273 73 GLN CB C 28.9717 0.0000 1 338 273 73 GLN N N 121.5902 0.0000 1 339 274 74 SER H H 8.4941 0.0000 1 340 274 74 SER C C 174.9074 0.0000 1 341 274 74 SER CA C 57.9973 0.0000 1 342 274 74 SER CB C 62.9831 0.0000 1 343 274 74 SER N N 116.8708 0.0000 1 344 275 75 LYS H H 8.4734 0.0000 1 345 275 75 LYS C C 176.7669 0.0000 1 346 275 75 LYS CA C 56.4991 0.0000 1 347 275 75 LYS CB C 31.5681 0.0000 1 348 275 75 LYS N N 123.5289 0.0000 1 349 276 76 GLU H H 8.4068 0.0000 1 350 276 76 GLU C C 176.6526 0.0000 1 351 276 76 GLU CA C 55.4009 0.0000 1 352 276 76 GLU CB C 28.0815 0.0000 1 353 276 76 GLU N N 120.3230 0.0000 1 354 281 81 ILE C C 179.4164 0.0000 1 355 281 81 ILE CA C 57.7516 0.0000 1 356 282 82 PHE H H 7.6153 0.0000 1 357 282 82 PHE CA C 57.7489 0.0000 1 358 282 82 PHE CB C 40.7857 0.0000 1 359 282 82 PHE N N 119.3140 0.0000 1 360 283 83 GLN H H 7.8981 0.0000 1 361 283 83 GLN C C 179.8472 0.0000 1 362 283 83 GLN CA C 58.7404 0.0000 1 363 283 83 GLN CB C 27.4046 0.0000 1 364 283 83 GLN N N 119.0125 0.0000 1 365 284 84 GLY H H 8.3869 0.0000 1 366 284 84 GLY C C 176.1664 0.0000 1 367 284 84 GLY CA C 46.7050 0.0000 1 368 284 84 GLY N N 107.0799 0.0000 1 369 285 85 CYS C C 177.0189 0.0000 1 370 285 85 CYS CA C 55.8475 0.0000 1 371 285 85 CYS CB C 32.3564 0.0000 1 372 286 86 GLN H H 8.4474 0.0000 1 373 286 86 GLN C C 179.2900 0.0000 1 374 286 86 GLN CA C 59.0069 0.0000 1 375 286 86 GLN CB C 27.4662 0.0000 1 376 286 86 GLN N N 124.5628 0.0000 1 377 287 87 PHE H H 8.4058 0.0000 1 378 287 87 PHE C C 179.0722 0.0000 1 379 287 87 PHE CA C 60.4526 0.0000 1 380 287 87 PHE CB C 37.6053 0.0000 1 381 287 87 PHE N N 122.2855 0.0000 1 382 288 88 ARG H H 8.4785 0.0000 1 383 288 88 ARG C C 178.4766 0.0000 1 384 288 88 ARG CA C 58.3351 0.0000 1 385 288 88 ARG CB C 28.5372 0.0000 1 386 288 88 ARG N N 120.0359 0.0000 1 387 289 89 SER H H 7.7757 0.0000 1 388 289 89 SER CA C 59.9457 0.0000 1 389 289 89 SER CB C 62.6134 0.0000 1 390 289 89 SER N N 114.1725 0.0000 1 391 290 90 VAL H H 7.2779 0.0000 1 392 290 90 VAL C C 177.1744 0.0000 1 393 290 90 VAL CA C 66.7952 0.0000 1 394 290 90 VAL CB C 30.2138 0.0000 1 395 290 90 VAL N N 123.4273 0.0000 1 396 291 91 GLU H H 7.5197 0.0000 1 397 291 91 GLU C C 178.0217 0.0000 1 398 291 91 GLU CA C 59.0240 0.0000 1 399 291 91 GLU CB C 27.6685 0.0000 1 400 291 91 GLU N N 118.6339 0.0000 1 401 292 92 ALA H H 7.4204 0.0000 1 402 292 92 ALA C C 179.7080 0.0000 1 403 292 92 ALA CA C 54.2626 0.0000 1 404 292 92 ALA CB C 16.0849 0.0000 1 405 292 92 ALA N N 122.1786 0.0000 1 406 293 93 VAL H H 8.3823 0.0000 1 407 293 93 VAL C C 179.4321 0.0000 1 408 293 93 VAL CA C 66.6524 0.0000 1 409 293 93 VAL CB C 29.9219 0.0000 1 410 293 93 VAL N N 118.2424 0.0000 1 411 294 94 GLN H H 8.3687 0.0000 1 412 294 94 GLN C C 178.3951 0.0000 1 413 294 94 GLN CA C 59.4228 0.0000 1 414 294 94 GLN CB C 26.3955 0.0000 1 415 294 94 GLN N N 121.5392 0.0000 1 416 295 95 GLU H H 8.0764 0.0000 1 417 295 95 GLU C C 178.1025 0.0000 1 418 295 95 GLU CA C 58.3106 0.0000 1 419 295 95 GLU CB C 26.8047 0.0000 1 420 295 95 GLU N N 121.5545 0.0000 1 421 296 96 ILE H H 8.8824 0.0000 1 422 296 96 ILE C C 177.2712 0.0000 1 423 296 96 ILE CA C 64.8943 0.0000 1 424 296 96 ILE CB C 37.1233 0.0000 1 425 296 96 ILE N N 119.1597 0.0000 1 426 297 97 THR H H 8.0269 0.0000 1 427 297 97 THR CA C 67.4762 0.0000 1 428 297 97 THR CB C 66.7352 0.0000 1 429 297 97 THR N N 117.5953 0.0000 1 430 298 98 GLU H H 7.7804 0.0000 1 431 298 98 GLU CA C 58.5605 0.0000 1 432 298 98 GLU CB C 27.7892 0.0000 1 433 298 98 GLU N N 120.6113 0.0000 1 434 299 99 TYR H H 8.2140 0.0000 1 435 299 99 TYR C C 178.7388 0.0000 1 436 299 99 TYR CA C 60.3906 0.0000 1 437 299 99 TYR CB C 37.2919 0.0000 1 438 299 99 TYR N N 121.2744 0.0000 1 439 300 100 ALA H H 8.6772 0.0000 1 440 300 100 ALA C C 178.2993 0.0000 1 441 300 100 ALA CA C 53.7176 0.0000 1 442 300 100 ALA CB C 16.2621 0.0000 1 443 300 100 ALA N N 123.8671 0.0000 1 444 301 101 LYS H H 7.2899 0.0000 1 445 301 101 LYS C C 178.2930 0.0000 1 446 301 101 LYS CA C 58.4514 0.0000 1 447 301 101 LYS CB C 31.0477 0.0000 1 448 301 101 LYS N N 111.9879 0.0000 1 449 302 102 SER H H 7.8303 0.0000 1 450 302 102 SER C C 174.8938 0.0000 1 451 302 102 SER CA C 58.4960 0.0000 1 452 302 102 SER CB C 63.2853 0.0000 1 453 302 102 SER N N 115.9010 0.0000 1 454 303 103 ILE H H 7.7552 0.0000 1 455 303 103 ILE C C 174.5725 0.0000 1 456 303 103 ILE CA C 59.7226 0.0000 1 457 303 103 ILE CB C 36.9835 0.0000 1 458 303 103 ILE N N 127.9783 0.0000 1 459 304 104 PRO C C 176.2078 0.0000 1 460 304 104 PRO CA C 64.4149 0.0000 1 461 304 104 PRO CB C 30.0592 0.0000 1 462 305 105 GLY H H 8.6189 0.0000 1 463 305 105 GLY C C 176.6364 0.0000 1 464 305 105 GLY CA C 44.7263 0.0000 1 465 305 105 GLY N N 112.0547 0.0000 1 466 306 106 PHE H H 8.2575 0.0000 1 467 306 106 PHE C C 176.9303 0.0000 1 468 306 106 PHE CA C 62.4172 0.0000 1 469 306 106 PHE CB C 39.8255 0.0000 1 470 306 106 PHE N N 124.5375 0.0000 1 471 307 107 VAL H H 8.2051 0.0000 1 472 307 107 VAL C C 175.8892 0.0000 1 473 307 107 VAL CA C 62.5484 0.0000 1 474 307 107 VAL CB C 29.7734 0.0000 1 475 307 107 VAL N N 106.7057 0.0000 1 476 308 108 ASN H H 7.0651 0.0000 1 477 308 108 ASN C C 175.9874 0.0000 1 478 308 108 ASN CA C 52.3355 0.0000 1 479 308 108 ASN N N 116.4283 0.0000 1 480 309 109 LEU H H 7.1335 0.0000 1 481 309 109 LEU C C 177.4719 0.0000 1 482 309 109 LEU CA C 53.4743 0.0000 1 483 309 109 LEU CB C 40.5737 0.0000 1 484 309 109 LEU N N 120.6698 0.0000 1 485 310 110 ASP H H 9.1065 0.0000 1 486 310 110 ASP C C 177.7642 0.0000 1 487 310 110 ASP CA C 54.9724 0.0000 1 488 310 110 ASP CB C 41.9800 0.0000 1 489 310 110 ASP N N 124.2094 0.0000 1 490 311 111 LEU H H 8.6662 0.0000 1 491 311 111 LEU C C 178.4616 0.0000 1 492 311 111 LEU CA C 57.7946 0.0000 1 493 311 111 LEU CB C 40.8237 0.0000 1 494 311 111 LEU N N 129.4916 0.0000 1 495 312 112 ASN H H 8.6612 0.0000 1 496 312 112 ASN C C 178.2267 0.0000 1 497 312 112 ASN CA C 56.1923 0.0000 1 498 312 112 ASN CB C 37.2076 0.0000 1 499 312 112 ASN N N 114.4371 0.0000 1 500 313 113 ASP H H 7.4119 0.0000 1 501 313 113 ASP C C 177.5851 0.0000 1 502 313 113 ASP CA C 56.7660 0.0000 1 503 313 113 ASP CB C 38.4811 0.0000 1 504 313 113 ASP N N 120.1217 0.0000 1 505 314 114 GLN H H 7.9458 0.0000 1 506 314 114 GLN C C 178.3779 0.0000 1 507 314 114 GLN CA C 59.6885 0.0000 1 508 314 114 GLN CB C 28.6937 0.0000 1 509 314 114 GLN N N 120.2255 0.0000 1 510 315 115 VAL H H 7.6993 0.0000 1 511 315 115 VAL C C 177.8628 0.0000 1 512 315 115 VAL CA C 65.9277 0.0000 1 513 315 115 VAL CB C 30.3107 0.0000 1 514 315 115 VAL N N 116.1834 0.0000 1 515 316 116 THR H H 8.4330 0.0000 1 516 316 116 THR C C 178.5047 0.0000 1 517 316 116 THR CA C 66.5304 0.0000 1 518 316 116 THR CB C 67.2664 0.0000 1 519 316 116 THR N N 119.1860 0.0000 1 520 317 117 LEU H H 8.8769 0.0000 1 521 317 117 LEU C C 182.7979 0.0000 1 522 317 117 LEU CA C 57.3865 0.0000 1 523 317 117 LEU CB C 39.3879 0.0000 1 524 317 117 LEU N N 118.6500 0.0000 1 525 318 118 LEU H H 7.9327 0.0000 1 526 318 118 LEU C C 176.9584 0.0000 1 527 318 118 LEU CA C 57.7524 0.0000 1 528 318 118 LEU CB C 41.4441 0.0000 1 529 318 118 LEU N N 121.3034 0.0000 1 530 319 119 LYS H H 9.2954 0.0000 1 531 319 119 LYS C C 176.7564 0.0000 1 532 319 119 LYS CA C 58.9290 0.0000 1 533 319 119 LYS CB C 30.2001 0.0000 1 534 319 119 LYS N N 121.5163 0.0000 1 535 320 120 TYR H H 7.0577 0.0000 1 536 320 120 TYR C C 178.7310 0.0000 1 537 320 120 TYR CA C 59.9297 0.0000 1 538 320 120 TYR CB C 38.4843 0.0000 1 539 320 120 TYR N N 111.8442 0.0000 1 540 321 121 GLY H H 8.2393 0.0000 1 541 321 121 GLY C C 175.9529 0.0000 1 542 321 121 GLY CA C 46.7246 0.0000 1 543 321 121 GLY N N 106.3224 0.0000 1 544 322 122 VAL H H 8.7111 0.0000 1 545 322 122 VAL C C 176.2508 0.0000 1 546 322 122 VAL CA C 65.7177 0.0000 1 547 322 122 VAL CB C 29.6379 0.0000 1 548 322 122 VAL N N 113.8537 0.0000 1 549 323 123 HIS H H 5.9997 0.0000 1 550 323 123 HIS C C 176.4647 0.0000 1 551 323 123 HIS CA C 57.7484 0.0000 1 552 323 123 HIS CB C 30.7234 0.0000 1 553 323 123 HIS N N 115.7524 0.0000 1 554 324 124 GLU H H 6.5226 0.0000 1 555 324 124 GLU C C 179.1816 0.0000 1 556 324 124 GLU CA C 58.0453 0.0000 1 557 324 124 GLU CB C 28.9728 0.0000 1 558 324 124 GLU N N 114.3463 0.0000 1 559 329 129 MET C C 179.0608 0.0000 1 560 329 129 MET CA C 57.7550 0.0000 1 561 329 129 MET CB C 31.0886 0.0000 1 562 330 130 LEU H H 8.5155 0.0000 1 563 330 130 LEU C C 178.9328 0.0000 1 564 330 130 LEU CA C 56.7281 0.0000 1 565 330 130 LEU CB C 40.4599 0.0000 1 566 330 130 LEU N N 123.3947 0.0000 1 567 331 131 ALA H H 7.5129 0.0000 1 568 331 131 ALA C C 179.7829 0.0000 1 569 331 131 ALA CA C 54.8307 0.0000 1 570 331 131 ALA CB C 15.5518 0.0000 1 571 331 131 ALA N N 118.5243 0.0000 1 572 332 132 SER H H 7.3306 0.0000 1 573 332 132 SER CA C 60.7167 0.0000 1 574 332 132 SER CB C 62.6355 0.0000 1 575 332 132 SER N N 112.1234 0.0000 1 576 333 133 LEU H H 7.6306 0.0000 1 577 333 133 LEU C C 175.0132 0.0000 1 578 333 133 LEU CA C 53.9319 0.0000 1 579 333 133 LEU CB C 40.4181 0.0000 1 580 333 133 LEU N N 118.1580 0.0000 1 581 334 134 MET H H 7.4596 0.0000 1 582 334 134 MET C C 176.0604 0.0000 1 583 334 134 MET CA C 54.4419 0.0000 1 584 334 134 MET CB C 36.2228 0.0000 1 585 334 134 MET N N 116.3492 0.0000 1 586 335 135 ASN H H 9.0010 0.0000 1 587 335 135 ASN C C 175.1033 0.0000 1 588 335 135 ASN CA C 51.0000 0.0000 1 589 335 135 ASN CB C 39.3105 0.0000 1 590 335 135 ASN N N 118.0999 0.0000 1 591 336 136 LYS H H 8.3364 0.0000 1 592 336 136 LYS C C 175.8371 0.0000 1 593 336 136 LYS CA C 57.8578 0.0000 1 594 336 136 LYS CB C 30.5988 0.0000 1 595 336 136 LYS N N 112.4582 0.0000 1 596 337 137 ASP H H 8.3998 0.0000 1 597 337 137 ASP C C 177.9345 0.0000 1 598 337 137 ASP CA C 54.2434 0.0000 1 599 337 137 ASP CB C 42.3662 0.0000 1 600 337 137 ASP N N 115.7145 0.0000 1 601 338 138 GLY H H 8.1829 0.0000 1 602 338 138 GLY C C 168.6713 0.0000 1 603 338 138 GLY CA C 47.7143 0.0000 1 604 338 138 GLY N N 111.9956 0.0000 1 605 339 139 VAL H H 8.0456 0.0000 1 606 339 139 VAL C C 172.4456 0.0000 1 607 339 139 VAL CA C 56.7100 0.0000 1 608 339 139 VAL CB C 35.2575 0.0000 1 609 339 139 VAL N N 116.2595 0.0000 1 610 340 140 LEU H H 8.5119 0.0000 1 611 340 140 LEU C C 175.8762 0.0000 1 612 340 140 LEU CA C 54.6633 0.0000 1 613 340 140 LEU CB C 42.9152 0.0000 1 614 340 140 LEU N N 127.8825 0.0000 1 615 341 141 ILE H H 8.3083 0.0000 1 616 341 141 ILE C C 176.9262 0.0000 1 617 341 141 ILE CA C 58.0097 0.0000 1 618 341 141 ILE CB C 41.3629 0.0000 1 619 341 141 ILE N N 113.6956 0.0000 1 620 342 142 SER H H 9.5622 0.0000 1 621 342 142 SER CA C 57.6846 0.0000 1 622 342 142 SER CB C 61.3616 0.0000 1 623 342 142 SER N N 119.4088 0.0000 1 624 343 143 GLU H H 9.0810 0.0000 1 625 343 143 GLU C C 176.2069 0.0000 1 626 343 143 GLU CA C 56.4568 0.0000 1 627 343 143 GLU CB C 26.0034 0.0000 1 628 343 143 GLU N N 115.9496 0.0000 1 629 344 144 GLY H H 7.7716 0.0000 1 630 344 144 GLY C C 173.3063 0.0000 1 631 344 144 GLY CA C 44.6833 0.0000 1 632 344 144 GLY N N 104.0308 0.0000 1 633 345 145 GLN H H 7.8024 0.0000 1 634 345 145 GLN C C 176.9711 0.0000 1 635 345 145 GLN CA C 56.8236 0.0000 1 636 345 145 GLN CB C 30.4929 0.0000 1 637 345 145 GLN N N 116.6098 0.0000 1 638 346 146 GLY H H 8.0373 0.0000 1 639 346 146 GLY C C 170.9836 0.0000 1 640 346 146 GLY CA C 42.9599 0.0000 1 641 346 146 GLY N N 103.7589 0.0000 1 642 347 147 PHE H H 8.8780 0.0000 1 643 347 147 PHE C C 172.7913 0.0000 1 644 347 147 PHE CA C 56.0823 0.0000 1 645 347 147 PHE CB C 41.2829 0.0000 1 646 347 147 PHE N N 123.0317 0.0000 1 647 348 148 MET H H 8.8506 0.0000 1 648 348 148 MET C C 175.9031 0.0000 1 649 348 148 MET CA C 52.2344 0.0000 1 650 348 148 MET CB C 33.3196 0.0000 1 651 348 148 MET N N 128.1984 0.0000 1 652 349 149 THR H H 8.4932 0.0000 1 653 349 149 THR C C 174.4238 0.0000 1 654 349 149 THR CA C 61.4922 0.0000 1 655 349 149 THR CB C 68.5493 0.0000 1 656 349 149 THR N N 116.3985 0.0000 1 657 350 150 ARG H H 8.6131 0.0000 1 658 350 150 ARG C C 179.0606 0.0000 1 659 350 150 ARG CA C 57.9800 0.0000 1 660 350 150 ARG CB C 30.1499 0.0000 1 661 350 150 ARG N N 126.6532 0.0000 1 662 351 151 GLU H H 8.6855 0.0000 1 663 351 151 GLU C C 178.2498 0.0000 1 664 351 151 GLU CA C 58.3179 0.0000 1 665 351 151 GLU CB C 28.2862 0.0000 1 666 351 151 GLU N N 117.9672 0.0000 1 667 352 152 PHE H H 7.7125 0.0000 1 668 352 152 PHE C C 179.3288 0.0000 1 669 352 152 PHE CA C 57.7401 0.0000 1 670 352 152 PHE CB C 37.3191 0.0000 1 671 352 152 PHE N N 121.0123 0.0000 1 672 353 153 LEU C C 177.5092 0.0000 1 673 353 153 LEU CA C 57.7215 0.0000 1 674 353 153 LEU CB C 40.5477 0.0000 1 675 354 154 LYS H H 7.7135 0.0000 1 676 354 154 LYS CA C 56.9716 0.0000 1 677 354 154 LYS CB C 31.5048 0.0000 1 678 354 154 LYS N N 114.4329 0.0000 1 679 355 155 SER H H 7.5941 0.0000 1 680 355 155 SER C C 174.3405 0.0000 1 681 355 155 SER CA C 58.6907 0.0000 1 682 355 155 SER CB C 63.4328 0.0000 1 683 355 155 SER N N 113.9169 0.0000 1 684 356 156 LEU H H 6.8737 0.0000 1 685 356 156 LEU C C 176.5137 0.0000 1 686 356 156 LEU CA C 54.3055 0.0000 1 687 356 156 LEU CB C 40.8199 0.0000 1 688 356 156 LEU N N 122.8880 0.0000 1 689 357 157 ARG H H 8.1114 0.0000 1 690 357 157 ARG CA C 55.1436 0.0000 1 691 357 157 ARG CB C 29.3949 0.0000 1 692 357 157 ARG N N 119.3103 0.0000 1 693 359 159 PRO C C 175.0877 0.0000 1 694 359 159 PRO CA C 62.9622 0.0000 1 695 359 159 PRO CB C 32.8535 0.0000 1 696 360 160 PHE H H 7.1731 0.0000 1 697 360 160 PHE C C 178.8967 0.0000 1 698 360 160 PHE CA C 59.3963 0.0000 1 699 360 160 PHE CB C 36.1267 0.0000 1 700 360 160 PHE N N 124.0456 0.0000 1 701 361 161 GLY H H 7.3159 0.0000 1 702 361 161 GLY C C 174.7492 0.0000 1 703 361 161 GLY CA C 46.0223 0.0000 1 704 361 161 GLY N N 105.4439 0.0000 1 705 362 162 ASP H H 7.6449 0.0000 1 706 362 162 ASP C C 178.0691 0.0000 1 707 362 162 ASP CA C 53.8033 0.0000 1 708 362 162 ASP CB C 40.9021 0.0000 1 709 362 162 ASP N N 119.4374 0.0000 1 710 363 163 PHE H H 7.8984 0.0000 1 711 363 163 PHE C C 179.2527 0.0000 1 712 363 163 PHE CA C 58.4615 0.0000 1 713 363 163 PHE CB C 36.7396 0.0000 1 714 363 163 PHE N N 118.1647 0.0000 1 715 364 164 MET H H 8.4163 0.0000 1 716 364 164 MET C C 179.0850 0.0000 1 717 364 164 MET CA C 52.9342 0.0000 1 718 364 164 MET CB C 29.4907 0.0000 1 719 364 164 MET N N 111.8601 0.0000 1 720 365 165 GLU H H 7.9188 0.0000 1 721 365 165 GLU C C 174.2972 0.0000 1 722 365 165 GLU CA C 60.1330 0.0000 1 723 365 165 GLU CB C 26.6122 0.0000 1 724 365 165 GLU N N 125.5176 0.0000 1 725 366 166 PRO C C 180.1382 0.0000 1 726 366 166 PRO CA C 65.2347 0.0000 1 727 366 166 PRO CB C 30.5015 0.0000 1 728 367 167 LYS H H 7.4526 0.0000 1 729 367 167 LYS C C 178.0522 0.0000 1 730 367 167 LYS CA C 59.0060 0.0000 1 731 367 167 LYS CB C 30.0802 0.0000 1 732 367 167 LYS N N 116.1954 0.0000 1 733 368 168 PHE H H 7.9278 0.0000 1 734 368 168 PHE C C 178.2469 0.0000 1 735 368 168 PHE CA C 62.5679 0.0000 1 736 368 168 PHE CB C 38.3594 0.0000 1 737 368 168 PHE N N 119.4795 0.0000 1 738 369 169 GLU H H 8.0485 0.0000 1 739 369 169 GLU C C 179.5707 0.0000 1 740 369 169 GLU CA C 58.7937 0.0000 1 741 369 169 GLU CB C 28.2180 0.0000 1 742 369 169 GLU N N 117.1699 0.0000 1 743 370 170 PHE H H 7.4260 0.0000 1 744 370 170 PHE C C 176.2388 0.0000 1 745 370 170 PHE CA C 60.1071 0.0000 1 746 370 170 PHE CB C 38.0108 0.0000 1 747 370 170 PHE N N 118.1172 0.0000 1 748 371 171 ALA H H 8.8149 0.0000 1 749 371 171 ALA C C 179.2493 0.0000 1 750 371 171 ALA CA C 55.1678 0.0000 1 751 371 171 ALA CB C 18.9846 0.0000 1 752 371 171 ALA N N 122.9557 0.0000 1 753 372 172 VAL H H 8.4580 0.0000 1 754 372 172 VAL C C 179.5627 0.0000 1 755 372 172 VAL CA C 65.9813 0.0000 1 756 372 172 VAL CB C 30.5530 0.0000 1 757 372 172 VAL N N 116.2933 0.0000 1 758 373 173 LYS H H 6.8670 0.0000 1 759 373 173 LYS C C 178.5711 0.0000 1 760 373 173 LYS CA C 58.2132 0.0000 1 761 373 173 LYS CB C 31.3502 0.0000 1 762 373 173 LYS N N 119.0009 0.0000 1 763 374 174 PHE H H 8.8115 0.0000 1 764 374 174 PHE C C 179.3339 0.0000 1 765 374 174 PHE CA C 61.0660 0.0000 1 766 374 174 PHE CB C 39.3947 0.0000 1 767 374 174 PHE N N 122.5331 0.0000 1 768 375 175 ASN H H 9.5504 0.0000 1 769 375 175 ASN C C 179.1579 0.0000 1 770 375 175 ASN CA C 54.0503 0.0000 1 771 375 175 ASN CB C 36.0960 0.0000 1 772 375 175 ASN N N 120.1850 0.0000 1 773 376 176 ALA H H 7.1731 0.0000 1 774 376 176 ALA C C 178.0894 0.0000 1 775 376 176 ALA CA C 53.0757 0.0000 1 776 376 176 ALA CB C 16.5697 0.0000 1 777 376 176 ALA N N 123.3814 0.0000 1 778 377 177 LEU H H 7.0944 0.0000 1 779 377 177 LEU C C 175.9309 0.0000 1 780 377 177 LEU CA C 55.0172 0.0000 1 781 377 177 LEU CB C 38.8994 0.0000 1 782 377 177 LEU N N 115.7179 0.0000 1 783 378 178 GLU H H 7.4170 0.0000 1 784 378 178 GLU C C 175.4806 0.0000 1 785 378 178 GLU CA C 55.6894 0.0000 1 786 378 178 GLU CB C 25.2979 0.0000 1 787 378 178 GLU N N 109.8925 0.0000 1 788 379 179 LEU H H 7.8023 0.0000 1 789 379 179 LEU C C 178.5456 0.0000 1 790 379 179 LEU CA C 54.2135 0.0000 1 791 379 179 LEU CB C 40.1608 0.0000 1 792 379 179 LEU N N 116.0123 0.0000 1 793 380 180 ASP H H 9.4841 0.0000 1 794 380 180 ASP C C 176.7055 0.0000 1 795 380 180 ASP CA C 50.7257 0.0000 1 796 380 180 ASP CB C 41.7595 0.0000 1 797 380 180 ASP N N 122.7270 0.0000 1 798 381 181 ASP H H 8.7144 0.0000 1 799 381 181 ASP C C 176.1801 0.0000 1 800 381 181 ASP CA C 58.5635 0.0000 1 801 381 181 ASP CB C 42.9594 0.0000 1 802 381 181 ASP N N 116.6578 0.0000 1 803 382 182 SER H H 8.1292 0.0000 1 804 382 182 SER C C 176.5083 0.0000 1 805 382 182 SER CA C 61.1688 0.0000 1 806 382 182 SER CB C 67.5096 0.0000 1 807 382 182 SER N N 116.5152 0.0000 1 808 383 183 ASP H H 7.5737 0.0000 1 809 383 183 ASP C C 179.1183 0.0000 1 810 383 183 ASP CA C 56.3476 0.0000 1 811 383 183 ASP CB C 42.5530 0.0000 1 812 383 183 ASP N N 123.1140 0.0000 1 813 384 184 LEU H H 8.6024 0.0000 1 814 384 184 LEU CA C 56.9690 0.0000 1 815 384 184 LEU N N 120.2574 0.0000 1 816 385 185 ALA H H 8.0188 0.0000 1 817 385 185 ALA CA C 54.7993 0.0000 1 818 385 185 ALA CB C 16.4014 0.0000 1 819 385 185 ALA N N 118.7735 0.0000 1 820 386 186 ILE H H 7.0246 0.0000 1 821 386 186 ILE C C 176.7928 0.0000 1 822 386 186 ILE CA C 63.4482 0.0000 1 823 386 186 ILE CB C 36.9920 0.0000 1 824 386 186 ILE N N 115.3983 0.0000 1 825 390 190 VAL C C 177.4900 0.0000 1 826 390 190 VAL CA C 64.4119 0.0000 1 827 390 190 VAL CB C 31.7247 0.0000 1 828 391 191 ILE H H 8.4282 0.0000 1 829 391 191 ILE C C 179.3362 0.0000 1 830 391 191 ILE CA C 65.8208 0.0000 1 831 391 191 ILE CB C 35.5716 0.0000 1 832 391 191 ILE N N 123.1623 0.0000 1 833 392 192 ILE H H 7.2913 0.0000 1 834 392 192 ILE C C 177.5847 0.0000 1 835 392 192 ILE N N 116.6113 0.0000 1 836 393 193 LEU H H 7.4766 0.0000 1 837 393 193 LEU C C 173.4498 0.0000 1 838 393 193 LEU CA C 50.9865 0.0000 1 839 393 193 LEU N N 125.5321 0.0000 1 840 394 194 SER H H 6.9226 0.0000 1 841 394 194 SER CA C 57.9490 0.0000 1 842 394 194 SER CB C 63.5980 0.0000 1 843 394 194 SER N N 114.1408 0.0000 1 844 395 195 GLY H H 8.5474 0.0000 1 845 395 195 GLY C C 172.4718 0.0000 1 846 395 195 GLY CA C 45.1802 0.0000 1 847 395 195 GLY N N 111.7309 0.0000 1 848 396 196 ASP H H 8.1098 0.0000 1 849 396 196 ASP C C 176.7405 0.0000 1 850 396 196 ASP CA C 51.6223 0.0000 1 851 396 196 ASP CB C 38.6575 0.0000 1 852 396 196 ASP N N 116.4796 0.0000 1 853 397 197 ARG H H 6.6558 0.0000 1 854 397 197 ARG C C 173.3202 0.0000 1 855 397 197 ARG CA C 51.7372 0.0000 1 856 397 197 ARG CB C 26.7068 0.0000 1 857 397 197 ARG N N 116.2638 0.0000 1 858 398 198 PRO C C 177.5802 0.0000 1 859 398 198 PRO CA C 62.4520 0.0000 1 860 398 198 PRO CB C 30.5635 0.0000 1 861 399 199 GLY H H 8.5176 0.0000 1 862 399 199 GLY C C 175.9347 0.0000 1 863 399 199 GLY CA C 44.8108 0.0000 1 864 399 199 GLY N N 107.9927 0.0000 1 865 400 200 LEU H H 6.8503 0.0000 1 866 400 200 LEU C C 177.0897 0.0000 1 867 400 200 LEU CA C 54.0146 0.0000 1 868 400 200 LEU CB C 41.8368 0.0000 1 869 400 200 LEU N N 120.0233 0.0000 1 870 401 201 LEU H H 11.5538 0.0000 1 871 401 201 LEU C C 178.7398 0.0000 1 872 401 201 LEU CA C 56.2553 0.0000 1 873 401 201 LEU CB C 41.0444 0.0000 1 874 401 201 LEU N N 128.0805 0.0000 1 875 402 202 ASN H H 8.9006 0.0000 1 876 402 202 ASN C C 174.5759 0.0000 1 877 402 202 ASN CA C 50.5370 0.0000 1 878 402 202 ASN CB C 37.7150 0.0000 1 879 402 202 ASN N N 119.4270 0.0000 1 880 403 203 VAL H H 8.3628 0.0000 1 881 403 203 VAL C C 177.5074 0.0000 1 882 403 203 VAL CA C 65.5421 0.0000 1 883 403 203 VAL CB C 31.4289 0.0000 1 884 403 203 VAL N N 122.3745 0.0000 1 885 404 204 LYS H H 8.2746 0.0000 1 886 404 204 LYS C C 174.8372 0.0000 1 887 404 204 LYS CA C 60.2114 0.0000 1 888 404 204 LYS CB C 28.2247 0.0000 1 889 404 204 LYS N N 121.3755 0.0000 1 890 405 205 PRO C C 179.4465 0.0000 1 891 405 205 PRO CA C 64.8845 0.0000 1 892 405 205 PRO CB C 29.7852 0.0000 1 893 406 206 ILE H H 6.7272 0.0000 1 894 406 206 ILE C C 177.0939 0.0000 1 895 406 206 ILE CA C 64.5917 0.0000 1 896 406 206 ILE CB C 37.4392 0.0000 1 897 406 206 ILE N N 118.4543 0.0000 1 898 407 207 GLU H H 8.0372 0.0000 1 899 407 207 GLU C C 179.2251 0.0000 1 900 407 207 GLU CA C 58.6012 0.0000 1 901 407 207 GLU CB C 28.1756 0.0000 1 902 407 207 GLU N N 120.2502 0.0000 1 903 408 208 ASP H H 8.4090 0.0000 1 904 408 208 ASP C C 179.5150 0.0000 1 905 408 208 ASP CA C 56.9740 0.0000 1 906 408 208 ASP CB C 39.0844 0.0000 1 907 408 208 ASP N N 118.9357 0.0000 1 908 409 209 ILE H H 7.3828 0.0000 1 909 409 209 ILE C C 179.0273 0.0000 1 910 409 209 ILE CA C 64.7527 0.0000 1 911 409 209 ILE CB C 37.6473 0.0000 1 912 409 209 ILE N N 120.5911 0.0000 1 913 410 210 GLN H H 9.0060 0.0000 1 914 410 210 GLN C C 178.2545 0.0000 1 915 410 210 GLN CA C 59.2987 0.0000 1 916 410 210 GLN CB C 27.0130 0.0000 1 917 410 210 GLN N N 121.4412 0.0000 1 918 411 211 ASP H H 8.8729 0.0000 1 919 411 211 ASP C C 178.6428 0.0000 1 920 411 211 ASP CA C 57.4060 0.0000 1 921 411 211 ASP CB C 40.0289 0.0000 1 922 411 211 ASP N N 117.9989 0.0000 1 923 412 212 ASN H H 7.1477 0.0000 1 924 412 212 ASN C C 177.4779 0.0000 1 925 412 212 ASN CA C 55.9997 0.0000 1 926 412 212 ASN CB C 38.3562 0.0000 1 927 412 212 ASN N N 118.2849 0.0000 1 928 413 213 LEU H H 8.2412 0.0000 1 929 413 213 LEU C C 179.0757 0.0000 1 930 413 213 LEU CA C 57.0479 0.0000 1 931 413 213 LEU CB C 41.4441 0.0000 1 932 413 213 LEU N N 119.1730 0.0000 1 933 414 214 LEU H H 9.3004 0.0000 1 934 414 214 LEU CA C 59.0115 0.0000 1 935 414 214 LEU N N 121.4524 0.0000 1 936 415 215 GLN C C 179.8793 0.0000 1 937 415 215 GLN CA C 54.8316 0.0000 1 938 415 215 GLN CB C 27.9150 0.0000 1 939 416 216 ALA H H 8.2973 0.0000 1 940 416 216 ALA C C 179.9208 0.0000 1 941 416 216 ALA CA C 54.2289 0.0000 1 942 416 216 ALA CB C 16.3237 0.0000 1 943 416 216 ALA N N 122.2385 0.0000 1 944 417 217 LEU H H 9.1159 0.0000 1 945 417 217 LEU CA C 57.2063 0.0000 1 946 417 217 LEU CB C 40.2904 0.0000 1 947 417 217 LEU N N 122.2643 0.0000 1 948 418 218 GLU C C 178.5443 0.0000 1 949 418 218 GLU CA C 59.7034 0.0000 1 950 418 218 GLU CB C 27.4256 0.0000 1 951 419 219 LEU H H 7.3282 0.0000 1 952 419 219 LEU C C 177.4039 0.0000 1 953 419 219 LEU CA C 57.0010 0.0000 1 954 419 219 LEU CB C 40.4940 0.0000 1 955 419 219 LEU N N 118.3584 0.0000 1 956 420 220 GLN H H 7.9362 0.0000 1 957 420 220 GLN C C 177.8940 0.0000 1 958 420 220 GLN CA C 57.4646 0.0000 1 959 420 220 GLN CB C 26.3391 0.0000 1 960 420 220 GLN N N 118.2040 0.0000 1 961 421 221 LEU C C 179.3785 0.0000 1 962 421 221 LEU CA C 57.4445 0.0000 1 963 421 221 LEU CB C 37.0403 0.0000 1 964 422 222 LYS H H 7.7354 0.0000 1 965 422 222 LYS C C 178.4320 0.0000 1 966 422 222 LYS CA C 58.5660 0.0000 1 967 422 222 LYS CB C 31.1155 0.0000 1 968 422 222 LYS N N 120.5653 0.0000 1 969 423 223 LEU H H 7.9308 0.0000 1 970 423 223 LEU C C 179.1707 0.0000 1 971 423 223 LEU CA C 55.8875 0.0000 1 972 423 223 LEU CB C 40.9752 0.0000 1 973 423 223 LEU N N 116.5849 0.0000 1 974 424 224 ASN H H 8.4698 0.0000 1 975 424 224 ASN C C 175.1258 0.0000 1 976 424 224 ASN CA C 52.4846 0.0000 1 977 424 224 ASN CB C 39.6705 0.0000 1 978 424 224 ASN N N 115.7628 0.0000 1 979 425 225 HIS H H 7.6053 0.0000 1 980 425 225 HIS C C 172.9124 0.0000 1 981 425 225 HIS CA C 51.3405 0.0000 1 982 425 225 HIS CB C 27.4927 0.0000 1 983 425 225 HIS N N 114.2359 0.0000 1 984 426 226 PRO C C 177.9904 0.0000 1 985 426 226 PRO CA C 64.3282 0.0000 1 986 426 226 PRO CB C 30.7280 0.0000 1 987 427 227 GLU H H 8.9339 0.0000 1 988 427 227 GLU C C 176.3950 0.0000 1 989 427 227 GLU CA C 55.6600 0.0000 1 990 427 227 GLU CB C 27.6569 0.0000 1 991 427 227 GLU N N 117.2600 0.0000 1 992 428 228 SER H H 7.5143 0.0000 1 993 428 228 SER C C 174.6934 0.0000 1 994 428 228 SER CA C 55.9843 0.0000 1 995 428 228 SER CB C 62.2960 0.0000 1 996 428 228 SER N N 116.7400 0.0000 1 997 429 229 SER H H 8.4921 0.0000 1 998 429 229 SER C C 175.7054 0.0000 1 999 429 229 SER CA C 59.3148 0.0000 1 1000 429 229 SER CB C 62.4165 0.0000 1 1001 429 229 SER N N 121.7656 0.0000 1 1002 430 230 GLN H H 8.8692 0.0000 1 1003 430 230 GLN C C 175.0527 0.0000 1 1004 430 230 GLN CA C 55.3794 0.0000 1 1005 430 230 GLN CB C 26.2117 0.0000 1 1006 430 230 GLN N N 120.4994 0.0000 1 1007 431 231 LEU H H 7.1337 0.0000 1 1008 431 231 LEU C C 177.3089 0.0000 1 1009 431 231 LEU CA C 57.7019 0.0000 1 1010 431 231 LEU CB C 40.2174 0.0000 1 1011 431 231 LEU N N 120.5241 0.0000 1 1012 432 232 PHE H H 8.5428 0.0000 1 1013 432 232 PHE C C 175.7895 0.0000 1 1014 432 232 PHE CA C 60.5267 0.0000 1 1015 432 232 PHE CB C 37.6106 0.0000 1 1016 432 232 PHE N N 118.1276 0.0000 1 1017 433 233 ALA H H 8.0389 0.0000 1 1018 433 233 ALA C C 181.0245 0.0000 1 1019 433 233 ALA CA C 54.5025 0.0000 1 1020 433 233 ALA CB C 17.5271 0.0000 1 1021 433 233 ALA N N 120.1850 0.0000 1 1022 434 234 LYS H H 8.0739 0.0000 1 1023 434 234 LYS C C 179.8333 0.0000 1 1024 434 234 LYS CA C 58.6525 0.0000 1 1025 434 234 LYS CB C 31.7207 0.0000 1 1026 434 234 LYS N N 117.2134 0.0000 1 1027 435 235 LEU H H 8.7153 0.0000 1 1028 435 235 LEU C C 178.8010 0.0000 1 1029 435 235 LEU CA C 56.7357 0.0000 1 1030 435 235 LEU CB C 39.9428 0.0000 1 1031 435 235 LEU N N 122.4738 0.0000 1 1032 436 236 LEU H H 8.0945 0.0000 1 1033 436 236 LEU C C 181.5620 0.0000 1 1034 436 236 LEU CA C 57.5209 0.0000 1 1035 436 236 LEU CB C 39.2751 0.0000 1 1036 436 236 LEU N N 119.1300 0.0000 1 1037 437 237 GLN H H 7.5428 0.0000 1 1038 437 237 GLN C C 178.3405 0.0000 1 1039 437 237 GLN CA C 58.0320 0.0000 1 1040 437 237 GLN CB C 27.5749 0.0000 1 1041 437 237 GLN N N 117.9764 0.0000 1 1042 438 238 LYS H H 7.8253 0.0000 1 1043 438 238 LYS CA C 55.5773 0.0000 1 1044 438 238 LYS CB C 29.4369 0.0000 1 1045 438 238 LYS N N 115.8843 0.0000 1 1046 439 239 MET H H 7.9151 0.0000 1 1047 439 239 MET C C 178.7457 0.0000 1 1048 439 239 MET CA C 59.7402 0.0000 1 1049 439 239 MET CB C 31.5535 0.0000 1 1050 439 239 MET N N 117.6573 0.0000 1 1051 440 240 THR H H 7.4378 0.0000 1 1052 440 240 THR C C 180.1832 0.0000 1 1053 440 240 THR CA C 65.6485 0.0000 1 1054 440 240 THR CB C 67.4945 0.0000 1 1055 440 240 THR N N 116.3481 0.0000 1 1056 441 241 ASP H H 7.5678 0.0000 1 1057 441 241 ASP C C 178.6863 0.0000 1 1058 441 241 ASP CA C 56.5008 0.0000 1 1059 441 241 ASP CB C 42.0836 0.0000 1 1060 441 241 ASP N N 123.0883 0.0000 1 1061 442 242 LEU C C 178.1040 0.0000 1 1062 442 242 LEU CA C 57.2056 0.0000 1 1063 442 242 LEU CB C 42.1691 0.0000 1 1064 443 243 ARG H H 7.3561 0.0000 1 1065 443 243 ARG C C 179.4653 0.0000 1 1066 443 243 ARG CA C 58.9684 0.0000 1 1067 443 243 ARG CB C 28.1711 0.0000 1 1068 443 243 ARG N N 116.8356 0.0000 1 1069 444 244 GLN H H 7.7446 0.0000 1 1070 444 244 GLN C C 178.1623 0.0000 1 1071 444 244 GLN CA C 57.8486 0.0000 1 1072 444 244 GLN CB C 26.6063 0.0000 1 1073 444 244 GLN N N 119.4290 0.0000 1 1074 445 245 ILE H H 7.7826 0.0000 1 1075 445 245 ILE C C 179.2331 0.0000 1 1076 445 245 ILE CA C 63.9515 0.0000 1 1077 445 245 ILE CB C 36.0376 0.0000 1 1078 445 245 ILE N N 119.9175 0.0000 1 1079 446 246 VAL H H 7.5147 0.0000 1 1080 446 246 VAL C C 178.9056 0.0000 1 1081 446 246 VAL CA C 67.3609 0.0000 1 1082 446 246 VAL CB C 30.7059 0.0000 1 1083 446 246 VAL N N 120.7434 0.0000 1 1084 447 247 THR H H 8.1475 0.0000 1 1085 447 247 THR CA C 65.8211 0.0000 1 1086 447 247 THR CB C 68.0760 0.0000 1 1087 447 247 THR N N 116.9375 0.0000 1 1088 448 248 GLU H H 8.1040 0.0000 1 1089 448 248 GLU C C 178.4964 0.0000 1 1090 448 248 GLU CA C 58.0482 0.0000 1 1091 448 248 GLU CB C 27.4020 0.0000 1 1092 448 248 GLU N N 121.2618 0.0000 1 1093 449 249 HIS H H 7.7417 0.0000 1 1094 449 249 HIS C C 176.3521 0.0000 1 1095 449 249 HIS CA C 59.9208 0.0000 1 1096 449 249 HIS CB C 28.8351 0.0000 1 1097 449 249 HIS N N 121.9120 0.0000 1 1098 450 250 VAL H H 7.2705 0.0000 1 1099 450 250 VAL CA C 65.4663 0.0000 1 1100 450 250 VAL CB C 30.4423 0.0000 1 1101 450 250 VAL N N 116.0348 0.0000 1 1102 451 251 GLN H H 7.2067 0.0000 1 1103 451 251 GLN C C 178.6103 0.0000 1 1104 451 251 GLN CA C 57.5691 0.0000 1 1105 451 251 GLN CB C 26.8225 0.0000 1 1106 451 251 GLN N N 118.6462 0.0000 1 1107 452 252 LEU H H 7.8565 0.0000 1 1108 452 252 LEU C C 178.8330 0.0000 1 1109 452 252 LEU CA C 56.9720 0.0000 1 1110 452 252 LEU CB C 40.0231 0.0000 1 1111 452 252 LEU N N 123.3192 0.0000 1 1112 453 253 LEU H H 7.6078 0.0000 1 1113 453 253 LEU C C 179.3219 0.0000 1 1114 453 253 LEU CA C 57.2056 0.0000 1 1115 453 253 LEU CB C 39.9021 0.0000 1 1116 453 253 LEU N N 117.8158 0.0000 1 1117 454 254 GLN H H 7.2418 0.0000 1 1118 454 254 GLN C C 178.4943 0.0000 1 1119 454 254 GLN CA C 57.5684 0.0000 1 1120 454 254 GLN CB C 26.8497 0.0000 1 1121 454 254 GLN N N 116.7838 0.0000 1 1122 455 255 VAL H H 7.6833 0.0000 1 1123 455 255 VAL C C 179.9881 0.0000 1 1124 455 255 VAL CA C 65.3063 0.0000 1 1125 455 255 VAL CB C 30.6753 0.0000 1 1126 455 255 VAL N N 120.4513 0.0000 1 1127 456 256 ILE H H 8.3048 0.0000 1 1128 456 256 ILE C C 177.9103 0.0000 1 1129 456 256 ILE CA C 63.9126 0.0000 1 1130 456 256 ILE CB C 36.4968 0.0000 1 1131 456 256 ILE N N 121.0964 0.0000 1 1132 457 257 LYS H H 7.6281 0.0000 1 1133 457 257 LYS C C 177.4382 0.0000 1 1134 457 257 LYS CA C 57.8176 0.0000 1 1135 457 257 LYS CB C 31.1509 0.0000 1 1136 457 257 LYS N N 119.1698 0.0000 1 1137 458 258 LYS H H 7.3183 0.0000 1 1138 458 258 LYS C C 176.3680 0.0000 1 1139 458 258 LYS CA C 55.6600 0.0000 1 1140 458 258 LYS CB C 31.6866 0.0000 1 1141 458 258 LYS N N 116.4011 0.0000 1 1142 459 259 THR H H 7.5128 0.0000 1 1143 459 259 THR C C 174.1970 0.0000 1 1144 459 259 THR CA C 62.9997 0.0000 1 1145 459 259 THR CB C 68.9210 0.0000 1 1146 459 259 THR N N 116.7080 0.0000 1 1147 460 260 GLU H H 8.7208 0.0000 1 1148 460 260 GLU C C 176.4236 0.0000 1 1149 460 260 GLU CA C 55.7717 0.0000 1 1150 460 260 GLU CB C 29.1855 0.0000 1 1151 460 260 GLU N N 125.3398 0.0000 1 1152 461 261 THR C C 173.7665 0.0000 1 1153 461 261 THR CA C 60.6444 0.0000 1 1154 461 261 THR CB C 69.2441 0.0000 1 1155 462 262 ASP H H 8.2803 0.0000 1 1156 462 262 ASP C C 176.4694 0.0000 1 1157 462 262 ASP CA C 54.3944 0.0000 1 1158 462 262 ASP CB C 40.5320 0.0000 1 1159 462 262 ASP N N 121.1939 0.0000 1 1160 463 263 MET H H 8.4547 0.0000 1 1161 463 263 MET C C 174.5472 0.0000 1 1162 463 263 MET CA C 54.7376 0.0000 1 1163 463 263 MET CB C 32.8451 0.0000 1 1164 463 263 MET N N 124.6580 0.0000 1 1165 464 264 SER H H 7.9709 0.0000 1 1166 464 264 SER C C 173.1626 0.0000 1 1167 464 264 SER CA C 57.8827 0.0000 1 1168 464 264 SER CB C 63.2800 0.0000 1 1169 464 264 SER N N 115.5000 0.0000 1 1170 465 265 LEU H H 7.8359 0.0000 1 1171 465 265 LEU C C 175.5797 0.0000 1 1172 465 265 LEU CA C 53.4209 0.0000 1 1173 465 265 LEU CB C 44.4027 0.0000 1 1174 465 265 LEU N N 122.6363 0.0000 1 1175 469 269 LEU C C 178.7608 0.0000 1 1176 469 269 LEU CA C 56.6872 0.0000 1 1177 469 269 LEU CB C 40.5764 0.0000 1 1178 470 270 GLN H H 7.7600 0.0000 1 1179 470 270 GLN C C 177.3163 0.0000 1 1180 470 270 GLN CA C 59.5366 0.0000 1 1181 470 270 GLN CB C 27.1095 0.0000 1 1182 470 270 GLN N N 116.9330 0.0000 1 1183 471 271 GLU H H 7.2168 0.0000 1 1184 471 271 GLU C C 178.9469 0.0000 1 1185 471 271 GLU CA C 57.9224 0.0000 1 1186 471 271 GLU CB C 27.8343 0.0000 1 1187 471 271 GLU N N 115.3637 0.0000 1 1188 472 272 ILE H H 7.7531 0.0000 1 1189 472 272 ILE CA C 64.7092 0.0000 1 1190 472 272 ILE CB C 37.0603 0.0000 1 1191 472 272 ILE N N 120.5469 0.0000 1 1192 473 273 TYR C C 175.7075 0.0000 1 1193 473 273 TYR CA C 54.0591 0.0000 1 1194 473 273 TYR CB C 40.0669 0.0000 1 1195 474 274 LYS H H 7.9264 0.0000 1 1196 474 274 LYS C C 175.7246 0.0000 1 1197 474 274 LYS CB C 31.7746 0.0000 1 1198 474 274 LYS N N 119.5223 0.0000 1 1199 475 275 ASP H H 8.0484 0.0000 1 1200 475 275 ASP C C 175.7990 0.0000 1 1201 475 275 ASP CA C 54.2709 0.0000 1 1202 475 275 ASP CB C 41.6850 0.0000 1 1203 475 275 ASP N N 119.1756 0.0000 1 1204 476 276 LEU H H 7.4353 0.0000 1 1205 476 276 LEU C C 171.8988 0.0000 1 1206 476 276 LEU CA C 52.1042 0.0000 1 1207 476 276 LEU CB C 39.8874 0.0000 1 1208 476 276 LEU N N 119.7738 0.0000 1 1209 477 277 TYR H H 6.4988 0.0000 1 1210 477 277 TYR C C 180.2179 0.0000 1 1211 477 277 TYR CA C 59.2440 0.0000 1 1212 477 277 TYR CB C 40.2092 0.0000 1 1213 477 277 TYR N N 121.8931 0.0000 1 stop_ save_