data_nef_c19622_2n0s save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2mh7 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 2 37 CYS SG 4 1 FES FE1 1 366 CYS SG 3 1 SF4 FE4 2 75 CYS SG 4 1 FES FE2 2 42 CYS SG 4 1 FES FE1 1 115 CYS SG 3 1 SF4 FE1 1 170 CYS SG 3 1 SF4 FE3 2 45 CYS SG 4 1 FES FE2 1 362 CYS SG 3 1 SF4 FE3 stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 16 GLY . . . 2 A 17 ALA . . . 3 A 18 ALA . . . 4 A 19 PRO . . . 5 A 20 ALA . . . 6 A 21 ALA . . . 7 A 22 GLU . . . 8 A 23 ALA . . . 9 A 24 PRO . . . 10 A 25 LEU . . . 11 A 26 SER . . . 12 A 27 HIS . . . 13 A 28 VAL . . . 14 A 29 GLN . . . 15 A 30 GLN . . . 16 A 31 ALA . . . 17 A 32 LEU . . . 18 A 33 ALA . . . 19 A 34 GLU . . . 20 A 35 LEU . . . 21 A 36 ALA . . . 22 A 37 LYS . . . 23 A 38 PRO . . . 24 A 39 LYS . . . 25 A 40 ASP . . . 26 A 41 ASP . . . 27 A 42 PRO . . . 28 A 43 THR . . . 29 A 44 ARG . . . 30 A 45 LYS . . . 31 A 46 HIS . . . 32 A 47 VAL . . . 33 A 48 CYS . . . 34 A 49 VAL . . . 35 A 50 GLN . . . 36 A 51 VAL . . . 37 A 52 ALA . . . 38 A 53 PRO . . . 39 A 54 ALA . . . 40 A 55 VAL . . . 41 A 56 ARG . . . 42 A 57 VAL . . . 43 A 58 ALA . . . 44 A 59 ILE . . . 45 A 60 ALA . . . 46 A 61 GLU . . . 47 A 62 THR . . . 48 A 63 LEU . . . 49 A 64 GLY . . . 50 A 65 LEU . . . 51 A 66 ALA . . . 52 A 67 PRO . . . 53 A 68 GLY . . . 54 A 69 ALA . . . 55 A 70 THR . . . 56 A 71 THR . . . 57 A 72 PRO . . . 58 A 73 LYS . . . 59 A 74 GLN . . . 60 A 75 LEU . . . 61 A 76 ALA . . . 62 A 77 GLU . . . 63 A 78 GLY . . . 64 A 79 LEU . . . 65 A 80 ARG . . . 66 A 81 ARG . . . 67 A 82 LEU . . . 68 A 83 GLY . . . 69 A 84 PHE . . . 70 A 85 ASP . . . 71 A 86 GLU . . . 72 A 87 VAL . . . 73 A 88 PHE . . . 74 A 89 ASP . . . 75 A 90 THR . . . 76 A 91 LEU . . . 77 A 92 PHE . . . 78 A 93 GLY . . . 79 A 94 ALA . . . 80 A 95 ASP . . . 81 A 96 LEU . . . 82 A 97 THR . . . 83 A 98 ILE . . . 84 A 99 MET . . . 85 A 100 GLU . . . 86 A 101 GLU . . . 87 A 102 GLY . . . 88 A 103 SER . . . 89 A 104 GLU . . . 90 A 105 LEU . . . 91 A 106 LEU . . . 92 A 107 HIS . . . 93 A 108 ARG . . . 94 A 109 LEU . . . 95 A 110 THR . . . 96 A 111 GLU . . . 97 A 112 HIS . . . 98 A 113 LEU . . . 99 A 114 GLU . . . 100 A 115 ALA . . . 101 A 116 HIS . . . 102 A 117 PRO . . . 103 A 118 HIS . . . 104 A 119 SER . . . 105 A 120 ASP . . . 106 A 121 GLU . . . 107 A 122 PRO . . . 108 A 123 LEU . . . 109 A 124 PRO . . . 110 A 125 MET . . . 111 A 126 PHE . . . 112 A 127 THR . . . 113 A 128 SER . . . 114 A 129 CYS . . . 115 A 130 CYS . -HG . 116 A 131 PRO . . . 117 A 132 GLY . . . 118 A 133 TRP . . . 119 A 134 ILE . . . 120 A 135 ALA . . . 121 A 136 MET . . . 122 A 137 LEU . . . 123 A 138 GLU . . . 124 A 139 LYS . . . 125 A 140 SER . . . 126 A 141 TYR . . . 127 A 142 PRO . . . 128 A 143 ASP . . . 129 A 144 LEU . . . 130 A 145 ILE . . . 131 A 146 PRO . . . 132 A 147 TYR . . . 133 A 148 VAL . . . 134 A 149 SER . . . 135 A 150 SER . . . 136 A 151 CYS . . . 137 A 152 LYS . . . 138 A 153 SER . . . 139 A 154 PRO . . . 140 A 155 GLN . . . 141 A 156 MET . . . 142 A 157 MET . . . 143 A 158 LEU . . . 144 A 159 ALA . . . 145 A 160 ALA . . . 146 A 161 MET . . . 147 A 162 VAL . . . 148 A 163 LYS . . . 149 A 164 SER . . . 150 A 165 TYR . . . 151 A 166 LEU . . . 152 A 167 ALA . . . 153 A 168 GLU . . . 154 A 169 LYS . . . 155 A 170 LYS . . . 156 A 171 GLY . . . 157 A 172 ILE . . . 158 A 173 ALA . . . 159 A 174 PRO . . . 160 A 175 LYS . . . 161 A 176 ASP . . . 162 A 177 MET . . . 163 A 178 VAL . . . 164 A 179 MET . . . 165 A 180 VAL . . . 166 A 181 SER . . . 167 A 182 ILE . . . 168 A 183 MET . . . 169 A 184 PRO . . . 170 A 185 CYS . -HG . 171 A 186 THR . . . 172 A 187 ARG . . . 173 A 188 LYS . . . 174 A 189 GLN . . . 175 A 190 SER . . . 176 A 191 GLU . . . 177 A 192 ALA . . . 178 A 193 ASP . . . 179 A 194 ARG . . . 180 A 195 ASP . . . 181 A 196 TRP . . . 182 A 197 PHE . . . 183 A 198 CYS . . . 184 A 199 VAL . . . 185 A 200 ASP . . . 186 A 201 ALA . . . 187 A 202 ASP . . . 188 A 203 PRO . . . 189 A 204 THR . . . 190 A 205 LEU . . . 191 A 206 ARG . . . 192 A 207 GLN . . . 193 A 208 LEU . . . 194 A 209 ASP . . . 195 A 210 HIS . . . 196 A 211 VAL . . . 197 A 212 ILE . . . 198 A 213 THR . . . 199 A 214 THR . . . 200 A 215 VAL . . . 201 A 216 GLU . . . 202 A 217 LEU . . . 203 A 218 GLY . . . 204 A 219 ASN . . . 205 A 220 ILE . . . 206 A 221 PHE . . . 207 A 222 LYS . . . 208 A 223 GLU . . . 209 A 224 ARG . . . 210 A 225 GLY . . . 211 A 226 ILE . . . 212 A 227 ASN . . . 213 A 228 LEU . . . 214 A 229 ALA . . . 215 A 230 GLU . . . 216 A 231 LEU . . . 217 A 232 PRO . . . 218 A 233 GLU . . . 219 A 234 GLY . . . 220 A 235 GLU . . . 221 A 236 TRP . . . 222 A 237 ASP . . . 223 A 238 ASN . . . 224 A 239 PRO . . . 225 A 240 MET . . . 226 A 241 GLY . . . 227 A 242 VAL . . . 228 A 243 GLY . . . 229 A 244 SER . . . 230 A 245 GLY . . . 231 A 246 ALA . . . 232 A 247 GLY . . . 233 A 248 VAL . . . 234 A 249 LEU . . . 235 A 250 PHE . . . 236 A 251 GLY . . . 237 A 252 THR . . . 238 A 253 THR . . . 239 A 254 GLY . . . 240 A 255 GLY . . . 241 A 256 VAL . . . 242 A 257 MET . . . 243 A 258 GLU . . . 244 A 259 ALA . . . 245 A 260 ALA . . . 246 A 261 LEU . . . 247 A 262 ARG . . . 248 A 263 THR . . . 249 A 264 ALA . . . 250 A 265 TYR . . . 251 A 266 GLU . . . 252 A 267 LEU . . . 253 A 268 PHE . . . 254 A 269 THR . . . 255 A 270 GLY . . . 256 A 271 THR . . . 257 A 272 PRO . . . 258 A 273 LEU . . . 259 A 274 PRO . . . 260 A 275 ARG . . . 261 A 276 LEU . . . 262 A 277 SER . . . 263 A 278 LEU . . . 264 A 279 SER . . . 265 A 280 GLU . . . 266 A 281 VAL . . . 267 A 282 ARG . . . 268 A 283 GLY . . . 269 A 284 MET . . . 270 A 285 ASP . . . 271 A 286 GLY . . . 272 A 287 ILE . . . 273 A 288 LYS . . . 274 A 289 GLU . . . 275 A 290 THR . . . 276 A 291 ASN . . . 277 A 292 ILE . . . 278 A 293 THR . . . 279 A 294 MET . . . 280 A 295 VAL . . . 281 A 296 PRO . . . 282 A 297 ALA . . . 283 A 298 PRO . . . 284 A 299 GLY . . . 285 A 300 SER . . . 286 A 301 LYS . . . 287 A 302 PHE . . . 288 A 303 GLU . . . 289 A 304 GLU . . . 290 A 305 LEU . . . 291 A 306 LEU . . . 292 A 307 LYS . . . 293 A 308 HIS . . . 294 A 309 ARG . . . 295 A 310 ALA . . . 296 A 311 ALA . . . 297 A 312 ALA . . . 298 A 313 ARG . . . 299 A 314 ALA . . . 300 A 315 GLU . . . 301 A 316 ALA . . . 302 A 317 ALA . . . 303 A 318 ALA . . . 304 A 319 HIS . . . 305 A 320 GLY . . . 306 A 321 THR . . . 307 A 322 PRO . . . 308 A 323 GLY . . . 309 A 324 PRO . . . 310 A 325 LEU . . . 311 A 326 ALA . . . 312 A 327 TRP . . . 313 A 328 ASP . . . 314 A 329 GLY . . . 315 A 330 GLY . . . 316 A 331 ALA . . . 317 A 332 GLY . . . 318 A 333 PHE . . . 319 A 334 THR . . . 320 A 335 SER . . . 321 A 336 GLU . . . 322 A 337 ASP . . . 323 A 338 GLY . . . 324 A 339 ARG . . . 325 A 340 GLY . . . 326 A 341 GLY . . . 327 A 342 ILE . . . 328 A 343 THR . . . 329 A 344 LEU . . . 330 A 345 ARG . . . 331 A 346 VAL . . . 332 A 347 ALA . . . 333 A 348 VAL . . . 334 A 349 ALA . . . 335 A 350 ASN . . . 336 A 351 GLY . . . 337 A 352 LEU . . . 338 A 353 GLY . . . 339 A 354 ASN . . . 340 A 355 ALA . . . 341 A 356 LYS . . . 342 A 357 LYS . . . 343 A 358 LEU . . . 344 A 359 ILE . . . 345 A 360 THR . . . 346 A 361 LYS . . . 347 A 362 MET . . . 348 A 363 GLN . . . 349 A 364 ALA . . . 350 A 365 GLY . . . 351 A 366 GLU . . . 352 A 367 ALA . . . 353 A 368 LYS . . . 354 A 369 TYR . . . 355 A 370 ASP . . . 356 A 371 PHE . . . 357 A 372 VAL . . . 358 A 373 GLU . . . 359 A 374 ILE . . . 360 A 375 MET . . . 361 A 376 ALA . . . 362 A 377 CYS . -HG . 363 A 378 PRO . . . 364 A 379 ALA . . . 365 A 380 GLY . . . 366 A 381 CYS . -HG . 367 A 382 VAL . . . 368 A 383 GLY . . . 369 A 384 GLY . . . 370 A 385 GLY . . . 371 A 386 GLY . . . 372 A 387 GLN . . . 373 A 388 PRO . . . 374 A 389 ARG . . . 375 A 390 SER . . . 376 A 391 THR . . . 377 A 392 ASP . . . 378 A 393 LYS . . . 379 A 394 ALA . . . 380 A 395 ILE . . . 381 A 396 THR . . . 382 A 397 GLN . . . 383 A 398 LYS . . . 384 A 399 ARG . . . 385 A 400 GLN . . . 386 A 401 ALA . . . 387 A 402 ALA . . . 388 A 403 LEU . . . 389 A 404 TYR . . . 390 A 405 ASN . . . 391 A 406 LEU . . . 392 A 407 ASP . . . 393 A 408 GLU . . . 394 A 409 LYS . . . 395 A 410 SER . . . 396 A 411 THR . . . 397 A 412 LEU . . . 398 A 413 ARG . . . 399 A 414 ARG . . . 400 A 415 SER . . . 401 A 416 HIS . . . 402 A 417 GLU . . . 403 A 418 ASN . . . 404 A 419 PRO . . . 405 A 420 SER . . . 406 A 421 ILE . . . 407 A 422 ARG . . . 408 A 423 GLU . . . 409 A 424 LEU . . . 410 A 425 TYR . . . 411 A 426 ASP . . . 412 A 427 THR . . . 413 A 428 TYR . . . 414 A 429 LEU . . . 415 A 430 GLY . . . 416 A 431 GLU . . . 417 A 432 PRO . . . 418 A 433 LEU . . . 419 A 434 GLY . . . 420 A 435 HIS . . . 421 A 436 LYS . . . 422 A 437 ALA . . . 423 A 438 HIS . . . 424 A 439 GLU . . . 425 A 440 LEU . . . 426 A 441 LEU . . . 427 A 442 HIS . . . 428 A 443 THR . . . 429 A 444 HIS . . . 430 A 445 TYR . . . 431 A 446 VAL . . . 432 A 447 ALA . . . 433 A 448 GLY . . . 434 A 449 GLY . . . 435 A 450 VAL . . . 436 A 451 GLU . . . 437 A 452 GLU . . . 438 A 453 LYS . . . 439 A 454 ASP . . . 440 A 455 GLU . . . 441 A 456 LYS . . . 442 A 457 LYS . . . 443 B 1 TYR start . . 444 B 2 LYS middle . . 445 B 3 VAL middle . . 446 B 4 THR middle . . 447 B 5 LEU middle . . 448 B 6 LYS middle . . 449 B 7 THR middle . . 450 B 8 PRO middle . false 451 B 9 SER middle . . 452 B 10 GLY middle . false 453 B 11 ASP middle . . 454 B 12 LYS middle . . 455 B 13 THR middle . . 456 B 14 ILE middle . . 457 B 15 GLU middle . . 458 B 16 CYS middle . . 459 B 17 PRO middle . false 460 B 18 ALA middle . . 461 B 19 ASP middle . . 462 B 20 THR middle . . 463 B 21 TYR middle . . 464 B 22 ILE middle . . 465 B 23 LEU middle . . 466 B 24 ASP middle . . 467 B 25 ALA middle . . 468 B 26 ALA middle . . 469 B 27 GLU middle . . 470 B 28 GLU middle . . 471 B 29 ALA middle . . 472 B 30 GLY middle . false 473 B 31 LEU middle . . 474 B 32 ASP middle . . 475 B 33 LEU middle . . 476 B 34 PRO middle . false 477 B 35 TYR middle . . 478 B 36 SER middle . . 479 B 37 CYS middle -HG . 480 B 38 ARG middle . . 481 B 39 ALA middle . . 482 B 40 GLY middle . false 483 B 41 ALA middle . . 484 B 42 CYS middle -HG . 485 B 43 SER middle . . 486 B 44 SER middle . . 487 B 45 CYS middle -HG . 488 B 46 ALA middle . . 489 B 47 GLY middle . false 490 B 48 LYS middle . . 491 B 49 VAL middle . . 492 B 50 ALA middle . . 493 B 51 ALA middle . . 494 B 52 GLY middle . false 495 B 53 THR middle . . 496 B 54 VAL middle . . 497 B 55 ASP middle . . 498 B 56 GLN middle . . 499 B 57 SER middle . . 500 B 58 ASP middle . . 501 B 59 GLN middle . . 502 B 60 SER middle . . 503 B 61 PHE middle . . 504 B 62 LEU middle . . 505 B 63 ASP middle . . 506 B 64 ASP middle . . 507 B 65 ALA middle . . 508 B 66 GLN middle . . 509 B 67 MET middle . . 510 B 68 GLY middle . false 511 B 69 ASN middle . . 512 B 70 GLY middle . false 513 B 71 PHE middle . . 514 B 72 VAL middle . . 515 B 73 LEU middle . . 516 B 74 THR middle . . 517 B 75 CYS middle -HG . 518 B 76 VAL middle . . 519 B 77 ALA middle . . 520 B 78 TYR middle . . 521 B 79 PRO middle . false 522 B 80 THR middle . . 523 B 81 SER middle . . 524 B 82 ASP middle . . 525 B 83 CYS middle . . 526 B 84 THR middle . . 527 B 85 ILE middle . . 528 B 86 GLN middle . . 529 B 87 THR middle . . 530 B 88 HIS middle . . 531 B 89 GLN middle . . 532 B 90 GLU middle . . 533 B 91 GLU middle . . 534 B 92 ALA middle . . 535 B 93 LEU middle . . 536 B 94 TYR end . . 537 D 1 SF4 . . . 538 C 1 FES . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 0 MET HA H 1 3.648 0.000 A 0 MET HBy H 1 1.900 0.000 A 0 MET HBx H 1 1.782 0.000 A 0 MET HGx H 1 2.368 0.000 A 0 MET HGy H 1 2.368 0.000 A 0 MET C C 13 173.879 0.000 A 0 MET CA C 13 55.357 0.000 A 0 MET CB C 13 34.017 0.000 A 0 MET CG C 13 31.701 0.000 A 18 ALA H H 1 8.622 0.000 A 18 ALA HA H 1 4.252 0.000 A 18 ALA HB% H 1 1.472 0.000 A 18 ALA C C 13 177.177 0.000 A 18 ALA CA C 13 53.953 0.000 A 18 ALA CB C 13 19.449 0.000 A 18 ALA N N 15 120.277 0.000 A 49 VAL H H 1 9.523 0.000 A 49 VAL HA H 1 3.940 0.000 A 49 VAL HB H 1 2.005 0.000 A 49 VAL HGx% H 1 0.743 0.000 A 49 VAL HGy% H 1 0.687 0.000 A 49 VAL C C 13 175.133 0.000 A 49 VAL CA C 13 63.365 0.000 A 49 VAL CB C 13 31.981 0.000 A 49 VAL CGy C 13 21.700 0.000 A 49 VAL CGx C 13 21.692 0.000 A 49 VAL N N 15 127.642 0.000 A 68 GLY H H 1 8.697 0.000 A 68 GLY HAx H 1 3.968 0.000 A 68 GLY HAy H 1 3.968 0.000 A 68 GLY C C 13 174.778 0.000 A 68 GLY CA C 13 46.687 0.000 A 68 GLY N N 15 110.904 0.000 B 1 TYR H1 H 1 8.204 0.000 B 1 TYR HA H 1 4.900 0.000 B 1 TYR HBy H 1 3.005 0.000 B 1 TYR HBx H 1 2.534 0.000 B 1 TYR HDx H 1 7.000 0.000 B 1 TYR HDy H 1 7.000 0.000 B 1 TYR HEx H 1 6.670 0.000 B 1 TYR HEy H 1 6.670 0.000 B 1 TYR C C 13 174.477 0.000 B 1 TYR CA C 13 57.340 0.000 B 1 TYR CB C 13 40.147 0.000 B 1 TYR CDx C 13 133.109 0.000 B 1 TYR CDy C 13 133.109 0.000 B 1 TYR CEx C 13 117.800 0.000 B 1 TYR CEy C 13 117.800 0.000 B 1 TYR N N 15 121.776 0.000 B 2 LYS H H 1 9.291 0.000 B 2 LYS HA H 1 4.719 0.000 B 2 LYS HBx H 1 1.485 0.000 B 2 LYS HBy H 1 1.706 0.000 B 2 LYS HDx H 1 1.577 0.000 B 2 LYS HDy H 1 1.577 0.000 B 2 LYS HEx H 1 2.953 0.000 B 2 LYS HEy H 1 2.953 0.000 B 2 LYS HGy H 1 1.483 0.000 B 2 LYS HGx H 1 1.304 0.000 B 2 LYS C C 13 176.369 0.000 B 2 LYS CA C 13 55.408 0.000 B 2 LYS CB C 13 32.636 0.000 B 2 LYS CD C 13 28.789 0.000 B 2 LYS CE C 13 42.073 0.000 B 2 LYS CG C 13 24.957 0.000 B 2 LYS N N 15 122.911 0.000 B 3 VAL H H 1 9.268 0.000 B 3 VAL HA H 1 4.974 0.000 B 3 VAL HB H 1 2.023 0.000 B 3 VAL HGx% H 1 0.921 0.000 B 3 VAL HGy% H 1 0.829 0.000 B 3 VAL C C 13 175.283 0.000 B 3 VAL CA C 13 60.401 0.000 B 3 VAL CB C 13 33.332 0.000 B 3 VAL CGy C 13 20.743 0.000 B 3 VAL CGx C 13 20.723 0.000 B 3 VAL N N 15 128.453 0.000 B 4 THR H H 1 9.623 0.000 B 4 THR HA H 1 4.316 0.000 B 4 THR HB H 1 4.320 0.000 B 4 THR HG2% H 1 1.018 0.000 B 4 THR C C 13 172.907 0.000 B 4 THR CA C 13 63.342 0.000 B 4 THR CB C 13 69.170 0.000 B 4 THR CG2 C 13 20.463 0.000 B 4 THR N N 15 126.298 0.000 B 5 LEU H H 1 9.554 0.000 B 5 LEU HA H 1 5.173 0.000 B 5 LEU HBx H 1 1.164 0.000 B 5 LEU HBy H 1 1.164 0.000 B 5 LEU HDx% H 1 1.652 0.000 B 5 LEU HDy% H 1 0.814 0.000 B 5 LEU HG H 1 0.693 0.000 B 5 LEU C C 13 174.969 0.000 B 5 LEU CA C 13 52.721 0.000 B 5 LEU CB C 13 41.530 0.000 B 5 LEU CDx C 13 26.870 0.000 B 5 LEU CDy C 13 26.870 0.000 B 5 LEU CG C 13 23.905 0.000 B 5 LEU N N 15 130.058 0.000 B 6 LYS H H 1 9.072 0.000 B 6 LYS HA H 1 4.884 0.000 B 6 LYS HBy H 1 1.776 0.000 B 6 LYS HBx H 1 1.591 0.000 B 6 LYS HDx H 1 1.427 0.000 B 6 LYS HDy H 1 1.584 0.000 B 6 LYS HEy H 1 2.982 0.000 B 6 LYS HEx H 1 2.834 0.000 B 6 LYS HGx H 1 1.268 0.000 B 6 LYS HGy H 1 1.268 0.000 B 6 LYS C C 13 175.730 0.000 B 6 LYS CA C 13 55.335 0.000 B 6 LYS CB C 13 31.006 0.000 B 6 LYS CD C 13 28.655 0.000 B 6 LYS CE C 13 40.978 0.000 B 6 LYS CG C 13 23.274 0.000 B 6 LYS N N 15 124.882 0.000 B 7 THR H H 1 7.750 0.000 B 7 THR HA H 1 5.708 0.000 B 7 THR HB H 1 4.496 0.000 B 7 THR HG2% H 1 1.343 0.000 B 7 THR CA C 13 59.875 0.000 B 7 THR CB C 13 69.582 0.000 B 7 THR CG2 C 13 20.376 0.000 B 7 THR N N 15 117.987 0.000 B 8 PRO HA H 1 4.334 0.000 B 8 PRO HBy H 1 2.322 0.000 B 8 PRO HBx H 1 1.682 0.000 B 8 PRO HDy H 1 3.591 0.000 B 8 PRO HDx H 1 3.141 0.000 B 8 PRO HGy H 1 1.693 0.000 B 8 PRO HGx H 1 1.306 0.000 B 8 PRO C C 13 177.136 0.000 B 8 PRO CA C 13 64.777 0.000 B 8 PRO CB C 13 31.734 0.000 B 8 PRO CD C 13 51.436 0.000 B 8 PRO CG C 13 27.543 0.000 B 9 SER H H 1 7.739 0.000 B 9 SER HA H 1 4.629 0.000 B 9 SER HBy H 1 3.875 0.000 B 9 SER HBx H 1 3.838 0.000 B 9 SER C C 13 173.571 0.000 B 9 SER CA C 13 57.371 0.000 B 9 SER CB C 13 63.513 0.000 B 9 SER N N 15 109.200 0.000 B 10 GLY H H 1 7.526 0.000 B 10 GLY HAx H 1 3.797 0.000 B 10 GLY HAy H 1 4.665 0.000 B 10 GLY C C 13 174.096 0.000 B 10 GLY CA C 13 43.987 0.000 B 10 GLY N N 15 110.027 0.000 B 11 ASP H H 1 8.808 0.000 B 11 ASP HA H 1 5.670 0.000 B 11 ASP HBy H 1 2.590 0.000 B 11 ASP HBx H 1 2.360 0.000 B 11 ASP C C 13 176.750 0.000 B 11 ASP CA C 13 53.710 0.000 B 11 ASP CB C 13 41.085 0.000 B 11 ASP N N 15 123.154 0.000 B 12 LYS H H 1 9.108 0.000 B 12 LYS HA H 1 4.678 0.000 B 12 LYS HBx H 1 1.794 0.000 B 12 LYS HBy H 1 1.794 0.000 B 12 LYS HDx H 1 1.697 0.000 B 12 LYS HDy H 1 1.697 0.000 B 12 LYS HEy H 1 2.903 0.000 B 12 LYS HEx H 1 2.884 0.000 B 12 LYS HGy H 1 1.433 0.000 B 12 LYS HGx H 1 1.371 0.000 B 12 LYS C C 13 174.777 0.000 B 12 LYS CA C 13 55.024 0.000 B 12 LYS CB C 13 36.206 0.000 B 12 LYS CD C 13 28.925 0.000 B 12 LYS CE C 13 42.351 0.000 B 12 LYS CG C 13 24.680 0.000 B 12 LYS N N 15 123.685 0.000 B 13 THR H H 1 8.935 0.000 B 13 THR HA H 1 5.314 0.000 B 13 THR HB H 1 3.911 0.000 B 13 THR HG2% H 1 1.086 0.000 B 13 THR C C 13 174.082 0.000 B 13 THR CA C 13 62.397 0.000 B 13 THR CB C 13 69.809 0.000 B 13 THR CG2 C 13 21.741 0.000 B 13 THR N N 15 122.136 0.000 B 14 ILE H H 1 9.113 0.000 B 14 ILE HA H 1 4.828 0.000 B 14 ILE HB H 1 1.990 0.000 B 14 ILE HD1% H 1 0.687 0.000 B 14 ILE HG1y H 1 1.285 0.000 B 14 ILE HG1x H 1 1.179 0.000 B 14 ILE HG2% H 1 0.791 0.000 B 14 ILE C C 13 174.083 0.000 B 14 ILE CA C 13 58.456 0.000 B 14 ILE CB C 13 41.510 0.000 B 14 ILE CD1 C 13 14.497 0.000 B 14 ILE CG1 C 13 25.876 0.000 B 14 ILE CG2 C 13 17.954 0.000 B 14 ILE N N 15 122.466 0.000 B 15 GLU H H 1 8.510 0.000 B 15 GLU HA H 1 4.928 0.000 B 15 GLU HBy H 1 1.996 0.000 B 15 GLU HBx H 1 1.905 0.000 B 15 GLU HGy H 1 2.258 0.000 B 15 GLU HGx H 1 2.006 0.000 B 15 GLU C C 13 175.553 0.000 B 15 GLU CA C 13 55.179 0.000 B 15 GLU CB C 13 31.093 0.000 B 15 GLU CG C 13 36.956 0.000 B 15 GLU N N 15 121.208 0.000 B 16 CYS H H 1 9.306 0.000 B 16 CYS HA H 1 5.086 0.000 B 16 CYS HBx H 1 3.009 0.000 B 16 CYS HBy H 1 3.009 0.000 B 16 CYS CA C 13 55.661 0.000 B 16 CYS CB C 13 31.298 0.000 B 16 CYS N N 15 125.232 0.000 B 17 PRO HA H 1 4.535 0.000 B 17 PRO HBy H 1 2.465 0.000 B 17 PRO HBx H 1 2.127 0.000 B 17 PRO HDy H 1 3.998 0.000 B 17 PRO HDx H 1 3.779 0.000 B 17 PRO HGy H 1 2.188 0.000 B 17 PRO HGx H 1 1.989 0.000 B 17 PRO C C 13 175.733 0.000 B 17 PRO CA C 13 62.890 0.000 B 17 PRO CB C 13 33.142 0.000 B 17 PRO CD C 13 51.969 0.000 B 17 PRO CG C 13 27.833 0.000 B 19 ASP H H 1 7.950 0.000 B 19 ASP HA H 1 4.123 0.000 B 19 ASP HBy H 1 2.853 0.000 B 19 ASP HBx H 1 2.317 0.000 B 19 ASP C C 13 175.263 0.000 B 19 ASP CA C 13 52.705 0.000 B 19 ASP CB C 13 39.747 0.000 B 19 ASP N N 15 112.081 0.000 B 20 THR H H 1 7.550 0.000 B 20 THR HA H 1 4.555 0.000 B 20 THR HB H 1 3.944 0.000 B 20 THR HG2% H 1 1.467 0.000 B 20 THR C C 13 171.521 0.000 B 20 THR CA C 13 61.849 0.000 B 20 THR CB C 13 72.498 0.000 B 20 THR CG2 C 13 21.427 0.000 B 20 THR N N 15 117.760 0.000 B 21 TYR H H 1 8.594 0.000 B 21 TYR HA H 1 4.690 0.000 B 21 TYR HBx H 1 2.780 0.000 B 21 TYR HBy H 1 2.780 0.000 B 21 TYR HDy H 1 6.944 0.000 B 21 TYR HDx H 1 6.308 0.000 B 21 TYR HEx H 1 6.730 0.000 B 21 TYR HEy H 1 6.730 0.000 B 21 TYR C C 13 171.626 0.000 B 21 TYR CA C 13 55.120 0.000 B 21 TYR CB C 13 38.570 0.000 B 21 TYR CDy C 13 132.992 0.000 B 21 TYR CDx C 13 131.991 0.000 B 21 TYR CEx C 13 118.100 0.000 B 21 TYR CEy C 13 118.100 0.000 B 21 TYR N N 15 124.181 0.000 B 22 ILE H H 1 9.140 0.000 B 22 ILE HA H 1 3.715 0.000 B 22 ILE HB H 1 1.843 0.000 B 22 ILE HD1% H 1 0.702 0.000 B 22 ILE HG1y H 1 2.007 0.000 B 22 ILE HG1x H 1 1.157 0.000 B 22 ILE HG2% H 1 0.741 0.000 B 22 ILE C C 13 177.421 0.000 B 22 ILE CA C 13 65.441 0.000 B 22 ILE CB C 13 38.297 0.000 B 22 ILE CD1 C 13 13.209 0.000 B 22 ILE CG1 C 13 30.415 0.000 B 22 ILE CG2 C 13 16.570 0.000 B 22 ILE N N 15 120.076 0.000 B 23 LEU H H 1 7.382 0.000 B 23 LEU HA H 1 3.869 0.000 B 23 LEU HBx H 1 1.322 0.000 B 23 LEU HBy H 1 1.322 0.000 B 23 LEU HDx% H 1 0.885 0.000 B 23 LEU HDy% H 1 0.885 0.000 B 23 LEU HG H 1 1.472 0.000 B 23 LEU C C 13 176.741 0.000 B 23 LEU CA C 13 57.892 0.000 B 23 LEU CB C 13 42.629 0.000 B 23 LEU CDx C 13 25.040 0.000 B 23 LEU CDy C 13 25.040 0.000 B 23 LEU CG C 13 26.980 0.000 B 23 LEU N N 15 115.378 0.000 B 24 ASP H H 1 6.747 0.000 B 24 ASP HA H 1 4.314 0.000 B 24 ASP HBy H 1 2.854 0.000 B 24 ASP HBx H 1 2.749 0.000 B 24 ASP C C 13 178.902 0.000 B 24 ASP CA C 13 57.792 0.000 B 24 ASP CB C 13 39.971 0.000 B 24 ASP N N 15 116.687 0.000 B 25 ALA H H 1 8.045 0.000 B 25 ALA HA H 1 4.231 0.000 B 25 ALA HB% H 1 1.659 0.000 B 25 ALA C C 13 180.559 0.000 B 25 ALA CA C 13 54.890 0.000 B 25 ALA CB C 13 19.192 0.000 B 25 ALA N N 15 122.742 0.000 B 26 ALA H H 1 8.701 0.000 B 26 ALA HA H 1 3.944 0.000 B 26 ALA HB% H 1 1.489 0.000 B 26 ALA C C 13 179.219 0.000 B 26 ALA CA C 13 55.425 0.000 B 26 ALA CB C 13 18.695 0.000 B 26 ALA N N 15 122.264 0.000 B 27 GLU H H 1 8.567 0.000 B 27 GLU HA H 1 4.303 0.000 B 27 GLU HBy H 1 2.308 0.000 B 27 GLU HBx H 1 2.063 0.000 B 27 GLU HGy H 1 2.602 0.000 B 27 GLU HGx H 1 2.358 0.000 B 27 GLU C C 13 169.931 0.000 B 27 GLU CA C 13 59.543 0.000 B 27 GLU CB C 13 29.458 0.000 B 27 GLU CG C 13 36.835 0.000 B 27 GLU N N 15 119.508 0.000 B 28 GLU H H 1 8.164 0.000 B 28 GLU HA H 1 4.105 0.000 B 28 GLU HBy H 1 2.201 0.000 B 28 GLU HBx H 1 2.054 0.000 B 28 GLU HGx H 1 2.265 0.000 B 28 GLU HGy H 1 2.265 0.000 B 28 GLU C C 13 177.634 0.000 B 28 GLU CA C 13 59.264 0.000 B 28 GLU CB C 13 29.055 0.000 B 28 GLU CG C 13 36.605 0.000 B 28 GLU N N 15 122.658 0.000 B 29 ALA H H 1 7.433 0.000 B 29 ALA HA H 1 4.476 0.000 B 29 ALA HB% H 1 1.608 0.000 B 29 ALA C C 13 177.282 0.000 B 29 ALA CA C 13 52.052 0.000 B 29 ALA CB C 13 19.115 0.000 B 29 ALA N N 15 119.216 0.000 B 30 GLY H H 1 7.932 0.000 B 30 GLY HAy H 1 4.218 0.000 B 30 GLY HAx H 1 3.843 0.000 B 30 GLY C C 13 174.629 0.000 B 30 GLY CA C 13 45.391 0.000 B 30 GLY N N 15 106.654 0.000 B 31 LEU H H 1 8.078 0.000 B 31 LEU HA H 1 4.456 0.000 B 31 LEU HBx H 1 1.556 0.000 B 31 LEU HBy H 1 1.556 0.000 B 31 LEU HDx% H 1 0.868 0.000 B 31 LEU HDy% H 1 0.852 0.000 B 31 LEU HG H 1 1.632 0.000 B 31 LEU C C 13 175.406 0.000 B 31 LEU CA C 13 54.656 0.000 B 31 LEU CB C 13 42.629 0.000 B 31 LEU CDy C 13 25.984 0.000 B 31 LEU CDx C 13 24.030 0.000 B 31 LEU CG C 13 27.811 0.000 B 31 LEU N N 15 121.203 0.000 B 32 ASP H H 1 8.418 0.000 B 32 ASP HA H 1 4.909 0.000 B 32 ASP HBy H 1 2.753 0.000 B 32 ASP HBx H 1 2.586 0.000 B 32 ASP C C 13 174.882 0.000 B 32 ASP CA C 13 53.119 0.000 B 32 ASP CB C 13 41.068 0.000 B 32 ASP N N 15 121.884 0.000 B 33 LEU H H 1 8.088 0.000 B 33 LEU HA H 1 4.665 0.000 B 33 LEU HBy H 1 1.433 0.000 B 33 LEU HBx H 1 1.237 0.000 B 33 LEU HDx% H 1 0.829 0.000 B 33 LEU HDy% H 1 1.016 0.000 B 33 LEU HG H 1 1.015 0.000 B 33 LEU CA C 13 51.940 0.000 B 33 LEU CB C 13 42.403 0.000 B 33 LEU CDy C 13 25.574 0.000 B 33 LEU CDx C 13 23.360 0.000 B 33 LEU CG C 13 27.771 0.000 B 33 LEU N N 15 124.734 0.000 B 34 PRO HA H 1 4.372 0.000 B 34 PRO HBy H 1 2.016 0.000 B 34 PRO HBx H 1 1.839 0.000 B 34 PRO HDy H 1 3.068 0.000 B 34 PRO HDx H 1 2.778 0.000 B 34 PRO HGy H 1 1.852 0.000 B 34 PRO HGx H 1 1.586 0.000 B 34 PRO CA C 13 62.760 0.000 B 34 PRO CB C 13 32.298 0.000 B 34 PRO CD C 13 49.222 0.000 B 34 PRO CG C 13 28.162 0.000 B 46 ALA HA H 1 4.729 0.000 B 46 ALA HB% H 1 1.628 0.000 B 46 ALA C C 13 178.058 0.000 B 46 ALA CA C 13 53.204 0.000 B 46 ALA CB C 13 18.088 0.000 B 47 GLY H H 1 9.815 0.000 B 47 GLY HAy H 1 4.831 0.000 B 47 GLY HAx H 1 3.299 0.000 B 47 GLY C C 13 178.913 0.000 B 47 GLY CA C 13 44.047 0.000 B 47 GLY N N 15 112.650 0.000 B 48 LYS H H 1 9.129 0.000 B 48 LYS HA H 1 4.936 0.000 B 48 LYS HBx H 1 1.292 0.000 B 48 LYS HBy H 1 1.525 0.000 B 48 LYS HDx H 1 1.157 0.000 B 48 LYS HDy H 1 1.157 0.000 B 48 LYS HEy H 1 2.409 0.000 B 48 LYS HEx H 1 2.327 0.000 B 48 LYS HGx H 1 0.652 0.000 B 48 LYS HGy H 1 0.652 0.000 B 48 LYS C C 13 175.432 0.000 B 48 LYS CA C 13 54.866 0.000 B 48 LYS CB C 13 36.588 0.000 B 48 LYS CD C 13 28.999 0.000 B 48 LYS CE C 13 41.720 0.000 B 48 LYS CG C 13 25.314 0.000 B 48 LYS N N 15 120.076 0.000 B 50 ALA H H 1 8.792 0.000 B 50 ALA HA H 1 4.433 0.000 B 50 ALA HB% H 1 1.248 0.000 B 50 ALA C C 13 177.108 0.000 B 50 ALA CA C 13 52.234 0.000 B 50 ALA CB C 13 19.925 0.000 B 50 ALA N N 15 102.132 0.000 B 51 ALA H H 1 7.745 0.000 B 51 ALA HA H 1 4.500 0.000 B 51 ALA HB% H 1 1.375 0.000 B 51 ALA C C 13 176.563 0.000 B 51 ALA CA C 13 52.396 0.000 B 51 ALA CB C 13 21.708 0.000 B 51 ALA N N 15 119.480 0.000 B 52 GLY H H 1 8.516 0.000 B 52 GLY HAy H 1 4.412 0.000 B 52 GLY HAx H 1 3.766 0.000 B 52 GLY C C 13 172.018 0.000 B 52 GLY CA C 13 44.029 0.000 B 52 GLY N N 15 108.710 0.000 B 53 THR H H 1 7.932 0.000 B 53 THR HA H 1 4.707 0.000 B 53 THR HB H 1 4.024 0.000 B 53 THR HG2% H 1 0.995 0.000 B 53 THR C C 13 173.198 0.000 B 53 THR CA C 13 59.740 0.000 B 53 THR CB C 13 72.296 0.000 B 53 THR CG2 C 13 21.286 0.000 B 53 THR N N 15 106.654 0.000 B 54 VAL H H 1 8.211 0.000 B 54 VAL HA H 1 5.030 0.000 B 54 VAL HB H 1 1.928 0.000 B 54 VAL HGx% H 1 0.733 0.000 B 54 VAL HGy% H 1 0.642 0.000 B 54 VAL C C 13 174.681 0.000 B 54 VAL CA C 13 58.343 0.000 B 54 VAL CB C 13 36.031 0.000 B 54 VAL CGy C 13 22.038 0.000 B 54 VAL CGx C 13 18.157 0.000 B 54 VAL N N 15 110.217 0.000 B 55 ASP H H 1 9.535 0.000 B 55 ASP HA H 1 5.019 0.000 B 55 ASP HBy H 1 2.982 0.000 B 55 ASP HBx H 1 2.673 0.000 B 55 ASP C C 13 175.900 0.000 B 55 ASP CA C 13 53.179 0.000 B 55 ASP CB C 13 43.430 0.000 B 55 ASP N N 15 121.085 0.000 B 56 GLN H H 1 9.270 0.000 B 56 GLN HA H 1 5.532 0.000 B 56 GLN HBy H 1 2.410 0.000 B 56 GLN HBx H 1 1.430 0.000 B 56 GLN HE2y H 1 7.299 0.000 B 56 GLN HE2x H 1 7.024 0.000 B 56 GLN HGy H 1 2.465 0.000 B 56 GLN HGx H 1 2.194 0.000 B 56 GLN C C 13 176.233 0.000 B 56 GLN CA C 13 53.067 0.000 B 56 GLN CB C 13 28.423 0.000 B 56 GLN CD C 13 178.137 0.000 B 56 GLN CG C 13 32.106 0.000 B 56 GLN N N 15 124.248 0.000 B 56 GLN NE2 N 15 108.671 0.000 B 57 SER H H 1 8.491 0.000 B 57 SER HA H 1 4.234 0.000 B 57 SER HBy H 1 4.104 0.000 B 57 SER HBx H 1 4.040 0.000 B 57 SER C C 13 175.154 0.000 B 57 SER CA C 13 62.676 0.000 B 57 SER CB C 13 63.213 0.000 B 57 SER N N 15 118.299 0.000 B 58 ASP H H 1 8.885 0.000 B 58 ASP HA H 1 4.719 0.000 B 58 ASP HBx H 1 2.608 0.000 B 58 ASP HBy H 1 2.855 0.000 B 58 ASP C C 13 176.196 0.000 B 58 ASP CA C 13 55.408 0.000 B 58 ASP CB C 13 40.293 0.000 B 58 ASP N N 15 119.055 0.000 B 59 GLN H H 1 8.394 0.000 B 59 GLN HA H 1 4.215 0.000 B 59 GLN HBx H 1 1.866 0.000 B 59 GLN HBy H 1 1.866 0.000 B 59 GLN HE2y H 1 7.201 0.000 B 59 GLN HE2x H 1 7.045 0.000 B 59 GLN HGx H 1 2.811 0.000 B 59 GLN HGy H 1 2.811 0.000 B 59 GLN C C 13 174.169 0.000 B 59 GLN CA C 13 55.943 0.000 B 59 GLN CB C 13 29.290 0.000 B 59 GLN CD C 13 179.591 0.000 B 59 GLN CG C 13 32.970 0.000 B 59 GLN N N 15 122.287 0.000 B 59 GLN NE2 N 15 112.342 0.000 B 60 SER H H 1 8.871 0.000 B 60 SER HA H 1 4.729 0.000 B 60 SER HBy H 1 3.957 0.000 B 60 SER HBx H 1 3.709 0.000 B 60 SER C C 13 173.467 0.000 B 60 SER CA C 13 58.201 0.000 B 60 SER CB C 13 65.221 0.000 B 60 SER N N 15 113.844 0.000 B 61 PHE H H 1 7.691 0.000 B 61 PHE HA H 1 4.397 0.000 B 61 PHE HBx H 1 3.140 0.000 B 61 PHE HBy H 1 3.140 0.000 B 61 PHE HDx H 1 6.895 0.000 B 61 PHE HDy H 1 6.895 0.000 B 61 PHE HEx H 1 7.139 0.000 B 61 PHE HEy H 1 7.139 0.000 B 61 PHE C C 13 176.268 0.000 B 61 PHE CA C 13 60.986 0.000 B 61 PHE CB C 13 43.362 0.000 B 61 PHE CDx C 13 131.183 0.000 B 61 PHE CDy C 13 131.183 0.000 B 61 PHE CEx C 13 130.795 0.000 B 61 PHE CEy C 13 130.795 0.000 B 61 PHE N N 15 123.610 0.000 B 62 LEU H H 1 10.705 0.000 B 62 LEU HA H 1 4.346 0.000 B 62 LEU HBx H 1 1.789 0.000 B 62 LEU HBy H 1 1.789 0.000 B 62 LEU HDx% H 1 0.694 0.000 B 62 LEU HDy% H 1 1.092 0.000 B 62 LEU HG H 1 1.810 0.000 B 62 LEU C C 13 177.920 0.000 B 62 LEU CA C 13 54.152 0.000 B 62 LEU CB C 13 42.638 0.000 B 62 LEU CDy C 13 27.097 0.000 B 62 LEU CDx C 13 23.314 0.000 B 62 LEU CG C 13 26.907 0.000 B 62 LEU N N 15 121.203 0.000 B 63 ASP H H 1 8.672 0.000 B 63 ASP HA H 1 4.680 0.000 B 63 ASP HBx H 1 2.589 0.000 B 63 ASP HBy H 1 3.114 0.000 B 63 ASP C C 13 176.479 0.000 B 63 ASP CA C 13 51.738 0.000 B 63 ASP CB C 13 41.706 0.000 B 63 ASP N N 15 121.418 0.000 B 64 ASP H H 1 8.282 0.000 B 64 ASP HA H 1 4.283 0.000 B 64 ASP HBy H 1 2.600 0.000 B 64 ASP HBx H 1 2.576 0.000 B 64 ASP C C 13 179.309 0.000 B 64 ASP CA C 13 57.917 0.000 B 64 ASP CB C 13 40.862 0.000 B 64 ASP N N 15 117.220 0.000 B 65 ALA H H 1 8.215 0.000 B 65 ALA HA H 1 4.137 0.000 B 65 ALA HB% H 1 1.442 0.000 B 65 ALA C C 13 180.917 0.000 B 65 ALA CA C 13 54.858 0.000 B 65 ALA CB C 13 17.749 0.000 B 65 ALA N N 15 125.398 0.000 B 66 GLN H H 1 8.821 0.000 B 66 GLN HA H 1 4.315 0.000 B 66 GLN HBy H 1 2.406 0.000 B 66 GLN HBx H 1 1.673 0.000 B 66 GLN HE2y H 1 7.395 0.000 B 66 GLN HE2x H 1 6.253 0.000 B 66 GLN HGy H 1 2.710 0.000 B 66 GLN HGx H 1 2.245 0.000 B 66 GLN C C 13 180.587 0.000 B 66 GLN CA C 13 59.051 0.000 B 66 GLN CB C 13 28.727 0.000 B 66 GLN CD C 13 178.781 0.000 B 66 GLN CG C 13 34.168 0.000 B 66 GLN N N 15 119.386 0.000 B 66 GLN NE2 N 15 110.246 0.000 B 67 MET H H 1 8.504 0.000 B 67 MET HA H 1 4.432 0.000 B 67 MET HBx H 1 2.239 0.000 B 67 MET HBy H 1 2.239 0.000 B 67 MET HGx H 1 2.627 0.000 B 67 MET HGy H 1 2.627 0.000 B 67 MET C C 13 181.267 0.000 B 67 MET CA C 13 59.988 0.000 B 67 MET CB C 13 33.535 0.000 B 67 MET CG C 13 33.849 0.000 B 67 MET N N 15 118.975 0.000 B 69 ASN H H 1 7.536 0.000 B 69 ASN HA H 1 4.892 0.000 B 69 ASN HBy H 1 3.091 0.000 B 69 ASN HBx H 1 2.939 0.000 B 69 ASN HD2y H 1 7.637 0.000 B 69 ASN HD2x H 1 6.958 0.000 B 69 ASN C C 13 174.610 0.000 B 69 ASN CA C 13 53.121 0.000 B 69 ASN CB C 13 39.395 0.000 B 69 ASN CG C 13 176.953 0.000 B 69 ASN N N 15 118.203 0.000 B 69 ASN ND2 N 15 112.777 0.000 B 70 GLY H H 1 7.725 0.000 B 70 GLY HAy H 1 4.201 0.000 B 70 GLY HAx H 1 3.708 0.000 B 70 GLY C C 13 174.423 0.000 B 70 GLY CA C 13 45.178 0.000 B 70 GLY N N 15 104.994 0.000 B 71 PHE H H 1 7.750 0.000 B 71 PHE HA H 1 5.041 0.000 B 71 PHE HBx H 1 2.590 0.000 B 71 PHE HBy H 1 2.780 0.000 B 71 PHE HDx H 1 7.372 0.000 B 71 PHE HDy H 1 7.372 0.000 B 71 PHE HEx H 1 7.063 0.000 B 71 PHE HEy H 1 7.063 0.000 B 71 PHE C C 13 175.618 0.000 B 71 PHE CA C 13 60.490 0.000 B 71 PHE CB C 13 39.860 0.000 B 71 PHE CDx C 13 131.316 0.000 B 71 PHE CDy C 13 131.316 0.000 B 71 PHE CEx C 13 129.606 0.000 B 71 PHE CEy C 13 129.606 0.000 B 71 PHE N N 15 117.987 0.000 B 72 VAL H H 1 8.578 0.000 B 72 VAL HA H 1 5.073 0.000 B 72 VAL HB H 1 1.723 0.000 B 72 VAL HGx% H 1 0.489 0.000 B 72 VAL HGy% H 1 0.618 0.000 B 72 VAL CA C 13 57.273 0.000 B 72 VAL CB C 13 34.219 0.000 B 72 VAL CGy C 13 22.726 0.000 B 72 VAL CGx C 13 19.816 0.000 B 72 VAL N N 15 117.069 0.000 B 76 VAL HA H 1 2.939 0.000 B 76 VAL HGx% H 1 1.166 0.000 B 76 VAL HGy% H 1 1.166 0.000 B 76 VAL C C 13 172.825 0.000 B 76 VAL CA C 13 59.273 0.000 B 76 VAL CB C 13 31.330 0.000 B 76 VAL CGx C 13 21.700 0.000 B 77 ALA H H 1 6.318 0.000 B 77 ALA HA H 1 5.141 0.000 B 77 ALA HB% H 1 1.000 0.000 B 77 ALA C C 13 175.744 0.000 B 77 ALA CA C 13 49.687 0.000 B 77 ALA CB C 13 22.339 0.000 B 77 ALA N N 15 120.939 0.000 B 78 TYR H H 1 9.113 0.000 B 78 TYR HA H 1 5.380 0.000 B 78 TYR HBy H 1 3.270 0.000 B 78 TYR HBx H 1 2.737 0.000 B 78 TYR HDy H 1 7.068 0.000 B 78 TYR HDx H 1 7.020 0.000 B 78 TYR HEx H 1 6.370 0.000 B 78 TYR HEy H 1 6.370 0.000 B 78 TYR CA C 13 54.396 0.000 B 78 TYR CB C 13 39.660 0.000 B 78 TYR CDx C 13 133.151 0.000 B 78 TYR CDy C 13 133.151 0.000 B 78 TYR CEx C 13 118.140 0.000 B 78 TYR CEy C 13 118.140 0.000 B 78 TYR N N 15 122.466 0.000 B 79 PRO HA H 1 4.744 0.000 B 79 PRO HBx H 1 1.920 0.000 B 79 PRO HBy H 1 1.920 0.000 B 79 PRO HDx H 1 4.137 0.000 B 79 PRO HDy H 1 4.266 0.000 B 79 PRO HGy H 1 2.444 0.000 B 79 PRO HGx H 1 2.166 0.000 B 79 PRO C C 13 176.434 0.000 B 79 PRO CA C 13 63.345 0.000 B 79 PRO CB C 13 31.141 0.000 B 79 PRO CD C 13 50.477 0.000 B 79 PRO CG C 13 28.246 0.000 B 80 THR H H 1 8.470 0.000 B 80 THR HA H 1 4.204 0.000 B 80 THR HB H 1 4.470 0.000 B 80 THR HG2% H 1 1.118 0.000 B 80 THR C C 13 171.733 0.000 B 80 THR CA C 13 60.121 0.000 B 80 THR CB C 13 68.267 0.000 B 80 THR CG2 C 13 23.429 0.000 B 80 THR N N 15 110.712 0.000 B 81 SER H H 1 7.604 0.000 B 81 SER HA H 1 3.869 0.000 B 81 SER HBy H 1 4.100 0.000 B 81 SER HBx H 1 3.848 0.000 B 81 SER C C 13 172.754 0.000 B 81 SER CA C 13 57.892 0.000 B 81 SER CB C 13 66.405 0.000 B 81 SER N N 15 114.994 0.000 B 82 ASP H H 1 8.690 0.000 B 82 ASP HA H 1 5.164 0.000 B 82 ASP HBy H 1 2.785 0.000 B 82 ASP HBx H 1 2.644 0.000 B 82 ASP C C 13 178.987 0.000 B 82 ASP CA C 13 56.313 0.000 B 82 ASP CB C 13 39.386 0.000 B 82 ASP N N 15 120.462 0.000 B 83 CYS H H 1 8.922 0.000 B 83 CYS HA H 1 5.139 0.000 B 83 CYS HBy H 1 3.015 0.000 B 83 CYS HBx H 1 2.910 0.000 B 83 CYS HG H 1 2.084 0.000 B 83 CYS C C 13 172.614 0.000 B 83 CYS CA C 13 56.370 0.000 B 83 CYS CB C 13 31.550 0.000 B 83 CYS N N 15 120.974 0.000 B 84 THR H H 1 8.637 0.000 B 84 THR HA H 1 5.464 0.000 B 84 THR HB H 1 3.866 0.000 B 84 THR HG2% H 1 1.057 0.000 B 84 THR C C 13 173.477 0.000 B 84 THR CA C 13 61.171 0.000 B 84 THR CB C 13 70.791 0.000 B 84 THR CG2 C 13 21.407 0.000 B 84 THR N N 15 116.819 0.000 B 85 ILE H H 1 9.433 0.000 B 85 ILE HA H 1 4.831 0.000 B 85 ILE HB H 1 1.733 0.000 B 85 ILE HD1% H 1 0.677 0.000 B 85 ILE HG1x H 1 1.098 0.000 B 85 ILE HG1y H 1 1.306 0.000 B 85 ILE HG2% H 1 0.484 0.000 B 85 ILE C C 13 174.828 0.000 B 85 ILE CA C 13 57.901 0.000 B 85 ILE CB C 13 41.567 0.000 B 85 ILE CD1 C 13 13.018 0.000 B 85 ILE CG1 C 13 27.765 0.000 B 85 ILE CG2 C 13 16.182 0.000 B 85 ILE N N 15 127.705 0.000 B 86 GLN H H 1 9.533 0.000 B 86 GLN HA H 1 5.081 0.000 B 86 GLN HBx H 1 1.939 0.000 B 86 GLN HBy H 1 2.174 0.000 B 86 GLN HE2y H 1 7.276 0.000 B 86 GLN HE2x H 1 6.779 0.000 B 86 GLN HGx H 1 2.333 0.000 B 86 GLN HGy H 1 2.418 0.000 B 86 GLN C C 13 176.145 0.000 B 86 GLN CA C 13 54.821 0.000 B 86 GLN CB C 13 29.689 0.000 B 86 GLN CD C 13 178.712 0.000 B 86 GLN CG C 13 33.889 0.000 B 86 GLN N N 15 128.424 0.000 B 86 GLN NE2 N 15 110.210 0.000 B 87 THR H H 1 8.292 0.000 B 87 THR HA H 1 4.600 0.000 B 87 THR HB H 1 4.718 0.000 B 87 THR HG2% H 1 1.092 0.000 B 87 THR C C 13 175.822 0.000 B 87 THR CA C 13 62.643 0.000 B 87 THR CB C 13 68.604 0.000 B 87 THR CG2 C 13 23.095 0.000 B 87 THR N N 15 117.634 0.000 B 88 HIS H H 1 9.658 0.000 B 88 HIS HA H 1 4.580 0.000 B 88 HIS HBx H 1 3.320 0.000 B 88 HIS HBy H 1 3.320 0.000 B 88 HIS HD1 H 1 8.971 0.000 B 88 HIS HD2 H 1 7.203 0.000 B 88 HIS HE1 H 1 7.762 0.000 B 88 HIS C C 13 177.884 0.000 B 88 HIS CA C 13 58.580 0.000 B 88 HIS CB C 13 26.340 0.000 B 88 HIS CD2 C 13 117.932 0.000 B 88 HIS CE1 C 13 137.876 0.000 B 88 HIS N N 15 117.083 0.000 B 89 GLN H H 1 7.591 0.000 B 89 GLN HA H 1 4.735 0.000 B 89 GLN HBy H 1 2.830 0.000 B 89 GLN HBx H 1 1.155 0.000 B 89 GLN HE2y H 1 6.930 0.000 B 89 GLN HE2x H 1 6.883 0.000 B 89 GLN HGy H 1 2.130 0.000 B 89 GLN HGx H 1 1.910 0.000 B 89 GLN C C 13 175.239 0.000 B 89 GLN CA C 13 53.949 0.000 B 89 GLN CB C 13 29.312 0.000 B 89 GLN CD C 13 178.000 0.000 B 89 GLN CG C 13 33.704 0.000 B 89 GLN N N 15 112.869 0.000 B 89 GLN NE2 N 15 114.400 0.000 B 90 GLU H H 1 8.327 0.000 B 90 GLU HA H 1 3.588 0.000 B 90 GLU HBy H 1 2.248 0.000 B 90 GLU HBx H 1 1.975 0.000 B 90 GLU HGx H 1 1.990 0.000 B 90 GLU HGy H 1 2.241 0.000 B 90 GLU C C 13 177.210 0.000 B 90 GLU CA C 13 61.485 0.000 B 90 GLU CB C 13 29.147 0.000 B 90 GLU CG C 13 37.430 0.000 B 90 GLU N N 15 122.583 0.000 B 91 GLU H H 1 8.666 0.000 B 91 GLU HA H 1 4.041 0.000 B 91 GLU HBx H 1 2.051 0.000 B 91 GLU HBy H 1 2.051 0.000 B 91 GLU HGy H 1 2.469 0.000 B 91 GLU HGx H 1 2.204 0.000 B 91 GLU C C 13 179.055 0.000 B 91 GLU CA C 13 59.647 0.000 B 91 GLU CB C 13 28.826 0.000 B 91 GLU CG C 13 36.232 0.000 B 91 GLU N N 15 115.209 0.000 B 92 ALA H H 1 7.628 0.000 B 92 ALA HA H 1 4.212 0.000 B 92 ALA HB% H 1 1.939 0.000 B 92 ALA C C 13 179.762 0.000 B 92 ALA CA C 13 54.200 0.000 B 92 ALA CB C 13 16.917 0.000 B 92 ALA N N 15 121.790 0.000 B 93 LEU H H 1 7.694 0.000 B 93 LEU HA H 1 3.263 0.000 B 93 LEU HBy H 1 1.305 0.000 B 93 LEU HBx H 1 0.970 0.000 B 93 LEU HDx% H 1 0.153 0.000 B 93 LEU HDy% H 1 0.153 0.000 B 93 LEU HG H 1 0.823 0.000 B 93 LEU C C 13 177.803 0.000 B 93 LEU CA C 13 57.031 0.000 B 93 LEU CB C 13 41.310 0.000 B 93 LEU CDx C 13 24.206 0.000 B 93 LEU CDy C 13 24.206 0.000 B 93 LEU CG C 13 26.417 0.000 B 93 LEU N N 15 119.699 0.000 B 94 TYR H H 1 7.343 0.000 B 94 TYR HA H 1 4.374 0.000 B 94 TYR HBy H 1 3.240 0.000 B 94 TYR HBx H 1 2.770 0.000 B 94 TYR HDx H 1 7.160 0.000 B 94 TYR HDy H 1 7.160 0.000 B 94 TYR HEx H 1 6.810 0.000 B 94 TYR HEy H 1 6.810 0.000 B 94 TYR C C 13 176.548 0.000 B 94 TYR CA C 13 58.822 0.000 B 94 TYR CB C 13 38.500 0.000 B 94 TYR CDx C 13 131.580 0.000 B 94 TYR CDy C 13 131.580 0.000 B 94 TYR CEx C 13 118.150 0.000 B 94 TYR CEy C 13 118.150 0.000 B 94 TYR N N 15 116.307 0.000 B 97 LEU H H 1 7.912 0.000 B 97 LEU HA H 1 4.142 0.000 B 97 LEU HBx H 1 1.605 0.000 B 97 LEU HBy H 1 1.605 0.000 B 97 LEU HDx% H 1 0.808 0.000 B 97 LEU HDy% H 1 0.742 0.000 B 97 LEU HG H 1 1.426 0.000 B 97 LEU C C 13 177.094 0.000 B 97 LEU CA C 13 55.429 0.000 B 97 LEU CB C 13 42.562 0.000 B 97 LEU CDy C 13 24.939 0.000 B 97 LEU CDx C 13 23.430 0.000 B 97 LEU CG C 13 26.741 0.000 B 97 LEU N N 15 120.760 0.000 B 98 TYR H H 1 7.898 0.000 B 98 TYR HA H 1 4.520 0.000 B 98 TYR HBx H 1 2.950 0.000 B 98 TYR HBy H 1 2.950 0.000 B 98 TYR HDx H 1 6.977 0.000 B 98 TYR HDy H 1 6.977 0.000 B 98 TYR HEx H 1 6.760 0.000 B 98 TYR HEy H 1 6.760 0.000 B 98 TYR C C 13 175.296 0.000 B 98 TYR CA C 13 57.640 0.000 B 98 TYR CB C 13 38.660 0.000 B 98 TYR CDx C 13 133.188 0.000 B 98 TYR CDy C 13 133.188 0.000 B 98 TYR CEx C 13 118.100 0.000 B 98 TYR CEy C 13 118.100 0.000 B 98 TYR N N 15 118.892 0.000 B 99 GLU H H 1 7.707 0.000 B 99 GLU HA H 1 4.161 0.000 B 99 GLU HBx H 1 2.071 0.000 B 99 GLU HBy H 1 2.071 0.000 B 99 GLU HGx H 1 2.276 0.000 B 99 GLU HGy H 1 2.378 0.000 B 99 GLU C C 13 176.704 0.000 B 99 GLU CA C 13 57.795 0.000 B 99 GLU CB C 13 30.121 0.000 B 99 GLU CG C 13 36.171 0.000 B 99 GLU N N 15 120.194 0.000 B 99 PHE HD1 H 1 7.332 0.000 B 99 PHE HD2 H 1 7.287 0.000 B 99 PHE HE1 H 1 7.270 0.000 B 99 PHE HE2 H 1 7.270 0.000 B 99 PHE CD1 C 13 131.720 0.000 B 99 PHE CD2 C 13 131.720 0.000 B 99 PHE CE1 C 13 129.800 0.000 B 99 PHE CE2 C 13 129.800 0.000 B 100 ASN H H 1 8.195 0.000 B 100 ASN HA H 1 4.580 0.000 B 100 ASN HBx H 1 2.777 0.000 B 100 ASN HBy H 1 2.777 0.000 B 100 ASN HD2y H 1 7.710 0.000 B 100 ASN HD2x H 1 6.927 0.000 B 100 ASN C C 13 176.061 0.000 B 100 ASN CA C 13 54.092 0.000 B 100 ASN CB C 13 38.864 0.000 B 100 ASN CG C 13 177.124 0.000 B 100 ASN N N 15 118.074 0.000 B 100 ASN ND2 N 15 112.778 0.000 B 100 GLN HE21 H 1 7.486 0.000 B 100 GLN HE22 H 1 6.798 0.000 B 100 GLN HG2 H 1 2.233 0.000 B 100 GLN HG3 H 1 2.233 0.000 B 100 GLN CD C 13 181.212 0.000 B 100 GLN NE2 N 15 112.390 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin undefined save_