NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | type | subsubtype |
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1763 |
1axj   |
cing | 1-original | 2 | chemical shift | format 3 |
SHIFTS MET 1 CA 53.80 HA 3.84 CB 33.20 QB 2.02 182 SHIFTS MET 1 CG 28.70 QG 2.53 CE 14.10 QE 2.09 183 SHIFTS LEU 2 CA 48.70 HA 4.33 CB 38.30 1HB 0.52 184 SHIFTS LEU 2 2HB 1.66 CG 23.40 HG 1.32 CD1 21.80 185 SHIFTS LEU 2 QD1 0.20 CD2 19.00 QD2 -0.13 186 SHIFTS PRO 3 CA 59.20 HA 4.76 CB 29.90 1HB 2.31 187 SHIFTS PRO 3 2HB 2.59 CG 24.90 1HG 1.95 2HG 2.41 188 SHIFTS PRO 3 CD 46.90 1HD 3.01 2HD 3.94 189 SHIFTS GLY 4 CA 45.40 1HA 4.18 2HA 4.27 190 SHIFTS THR 5 CA 62.50 HA 4.10 CB 66.20 HB 4.24 191 SHIFTS THR 5 CG2 20.40 QG2 1.50 192 SHIFTS PHE 6 N 117.30 H 7.67 CA 58.70 HA 3.52 193 SHIFTS PHE 6 CB 35.20 1HB 1.58 2HB 2.84 CD1 128.00 194 SHIFTS PHE 6 CD2 128.00 QD 5.62 CE1 128.00 CE2 128.00 195 SHIFTS PHE 6 QE 6.62 CZ 125.10 HZ 6.59 196 SHIFTS PHE 7 N 110.90 H 7.05 CA 58.80 HA 3.84 197 SHIFTS PHE 7 CB 35.20 1HB 3.14 2HB 3.27 CD1 128.90 198 SHIFTS PHE 7 CD2 128.90 QD 7.48 CE1 128.90 CE2 128.90 199 SHIFTS PHE 7 QE 7.36 CZ 126.90 HZ 7.32 200 SHIFTS GLU 8 N 114.10 H 7.62 CA 53.70 HA 4.09 201 SHIFTS GLU 8 CB 29.10 1HB 2.24 2HB 2.19 CG 33.50 202 SHIFTS GLU 8 1HG 2.36 2HG 2.44 203 SHIFTS VAL 9 N 115.40 H 7.80 CA 64.50 HA 3.40 204 SHIFTS VAL 9 CB 27.50 HB 2.28 CG1 19.30 QG1 0.67 205 SHIFTS VAL 9 CG2 21.50 QG2 1.11 206 SHIFTS LEU 10 N 110.30 H 6.96 CA 54.00 HA 3.76 207 SHIFTS LEU 10 CB 38.30 1HB 1.57 2HB 1.73 CG 23.40 208 SHIFTS LEU 10 HG 1.34 CD1 22.60 QD1 0.55 CD2 20.80 209 SHIFTS LEU 10 QD2 0.67 210 SHIFTS LYS 11 N 110.90 H 6.99 CA 54.40 HA 4.20 211 SHIFTS LYS 11 CB 30.10 1HB 1.90 2HB 2.03 CG 22.50 212 SHIFTS LYS 11 1HG 1.76 2HG 1.51 CD 26.60 QD 1.73 213 SHIFTS LYS 11 CE 39.10 1HE 2.92 2HE 3.01 214 SHIFTS ASN 12 N 114.10 H 8.03 CA 48.90 HA 4.96 215 SHIFTS ASN 12 CB 40.10 1HB 2.71 2HB 2.90 ND2 110.90 216 SHIFTS ASN 12 1HD2 7.27 2HD2 6.70 217 SHIFTS GLU 13 N 117.30 H 8.68 CA 52.20 HA 5.26 218 SHIFTS GLU 13 CB 27.00 1HB 2.17 2HB 2.12 CG 33.50 219 SHIFTS GLU 13 QG 2.64 220 SHIFTS GLY 14 N 109.60 H 9.99 CA 43.70 1HA 4.56 221 SHIFTS GLY 14 2HA 4.62 222 SHIFTS VAL 15 N 116.70 H 9.04 CA 60.10 HA 4.11 223 SHIFTS VAL 15 CB 29.40 HB 2.08 CG1 20.00 QG1 0.49 224 SHIFTS VAL 15 CG2 18.40 QG2 0.76 225 SHIFTS VAL 16 N 129.50 H 8.78 CA 57.70 HA 4.36 226 SHIFTS VAL 16 CB 30.50 HB 1.38 CG1 18.60 QG1 0.78 227 SHIFTS VAL 16 CG2 19.10 QG2 1.04 228 SHIFTS ALA 17 N 125.70 H 8.41 CA 47.20 HA 5.04 229 SHIFTS ALA 17 CB 20.00 QB 0.96 230 SHIFTS ILE 18 N 116.70 H 8.82 CA 57.50 HA 4.67 231 SHIFTS ILE 18 CB 37.80 HB 1.27 CG2 13.50 QG2 0.51 232 SHIFTS ILE 18 CG1 25.00 1HG1 1.15 2HG1 1.29 CD1 11.40 233 SHIFTS ILE 18 QD1 0.41 234 SHIFTS ALA 19 N 125.70 H 9.57 CA 46.80 HA 5.82 235 SHIFTS ALA 19 CB 18.90 QB 1.23 236 SHIFTS THR 20 N 103.80 H 8.36 CA 56.00 HA 4.44 237 SHIFTS THR 20 CB 71.00 HB 4.66 CG2 20.40 QG2 1.27 238 SHIFTS THR 20 HG1 5.60 239 SHIFTS GLN 21 N 116.00 H 9.57 CA 51.90 HA 4.34 240 SHIFTS GLN 21 CB 27.90 1HB 1.89 2HB 2.26 CG 30.80 241 SHIFTS GLN 21 1HG 2.37 2HG 2.87 NE2 109.00 1HE2 7.53 242 SHIFTS GLN 21 2HE2 8.00 243 SHIFTS GLY 22 N 110.90 H 7.79 CA 41.00 1HA 4.60 244 SHIFTS GLY 22 2HA 4.02 245 SHIFTS GLU 23 N 115.40 H 8.97 CA 55.90 HA 4.05 246 SHIFTS GLU 23 CB 29.10 1HB 1.96 2HB 2.00 CG 32.80 247 SHIFTS GLU 23 1HG 2.28 2HG 2.24 248 SHIFTS ASP 24 N 110.90 H 8.70 CA 51.20 HA 4.73 249 SHIFTS ASP 24 CB 38.90 1HB 2.74 2HB 2.60 250 SHIFTS GLY 25 N 103.20 H 7.25 CA 41.10 1HA 4.16 251 SHIFTS GLY 25 2HA 4.50 252 SHIFTS PRO 26 CA 59.40 HA 5.03 CB 30.00 1HB 1.59 253 SHIFTS PRO 26 2HB 2.09 CG 23.90 1HG 1.69 2HG 1.55 254 SHIFTS PRO 26 CD 46.70 1HD 3.41 2HD 3.91 255 SHIFTS HIS 27 N 114.80 H 8.86 CA 52.40 HA 4.94 256 SHIFTS HIS 27 CB 31.00 1HB 2.79 2HB 2.63 CD2 114.90 257 SHIFTS HIS 27 HD2 6.70 CE1 135.80 HE1 8.53 258 SHIFTS LEU 28 N 121.80 H 6.00 CA 50.60 HA 4.97 259 SHIFTS LEU 28 CB 44.90 1HB 0.77 2HB 1.41 CG 23.60 260 SHIFTS LEU 28 HG 1.17 CD1 22.50 QD1 0.65 CD2 24.00 261 SHIFTS LEU 28 QD2 0.57 262 SHIFTS VAL 29 N 110.30 H 8.11 CA 56.10 HA 4.40 263 SHIFTS VAL 29 CB 32.80 HB 2.05 CG1 20.30 QG1 0.93 264 SHIFTS VAL 29 CG2 14.30 QG2 0.60 265 SHIFTS ASN 30 N 109.60 H 8.39 CA 48.60 HA 5.38 266 SHIFTS ASN 30 CB 41.00 1HB -0.17 2HB 1.54 ND2 100.00 267 SHIFTS ASN 30 1HD2 6.88 2HD2 6.42 268 SHIFTS THR 31 N 102.60 H 6.89 CA 56.60 HA 4.47 269 SHIFTS THR 31 CB 66.50 HB 3.62 CG2 15.30 QG2 0.92 270 SHIFTS THR 31 HG1 5.40 271 SHIFTS TRP 32 N 118.00 H 8.36 CA 51.60 HA 6.03 272 SHIFTS TRP 32 CB 28.90 1HB 2.04 2HB 4.10 CD1 125.70 273 SHIFTS TRP 32 HD1 6.25 NE1 122.60 HE1 9.18 CE3 119.20 274 SHIFTS TRP 32 HE3 7.91 CZ2 111.00 HZ2 6.86 CZ3 119.20 275 SHIFTS TRP 32 HZ3 7.05 CH2 119.40 HH2 6.73 276 SHIFTS ASN 33 N 121.20 H 9.91 CA 54.10 HA 3.97 277 SHIFTS ASN 33 CB 35.20 1HB 3.54 2HB 2.86 ND2 98.10 278 SHIFTS ASN 33 1HD2 7.25 2HD2 5.65 279 SHIFTS SER 34 N 106.40 H 9.20 CA 72.80 HA 4.40 280 SHIFTS SER 34 CB 56.00 1HB 4.18 2HB 4.00 HG 6.25 281 SHIFTS TYR 35 N 118.00 H 8.35 CA 53.00 HA 5.09 282 SHIFTS TYR 35 CB 34.40 1HB 3.92 2HB 3.25 CD1 127.90 283 SHIFTS TYR 35 CD2 127.90 QD 7.54 CE1 116.00 CE2 116.00 284 SHIFTS TYR 35 QE 7.10 285 SHIFTS LEU 36 N 111.60 H 7.25 CA 53.00 HA 4.58 286 SHIFTS LEU 36 CB 40.10 1HB 2.06 2HB 1.17 CG 23.40 287 SHIFTS LEU 36 HG 2.13 CD1 23.70 QD1 0.87 CD2 22.40 288 SHIFTS LEU 36 QD2 0.80 289 SHIFTS LYS 37 N 116.70 H 8.23 CA 50.90 HA 4.81 290 SHIFTS LYS 37 CB 32.30 1HB 1.78 2HB 1.71 CG 21.60 291 SHIFTS LYS 37 1HG 1.40 2HG 1.44 QG 1.44 CD 25.70 292 SHIFTS LYS 37 QD 1.75 CE 39.10 QE 3.06 293 SHIFTS VAL 38 N 120.50 H 8.79 CA 58.60 HA 4.91 294 SHIFTS VAL 38 CB 29.30 HB 2.22 CG1 18.30 CG2 18.60 295 SHIFTS VAL 38 QQG 0.97 296 SHIFTS LEU 39 N 124.40 H 9.26 CA 50.40 HA 4.74 297 SHIFTS LEU 39 CB 41.30 1HB 1.50 2HB 1.65 CG 24.90 298 SHIFTS LEU 39 HG 1.55 CD1 22.90 QD1 0.76 CD2 20.20 299 SHIFTS LEU 39 QD2 0.81 300 SHIFTS ASP 40 N 112.80 H 8.52 CA 50.50 HA 4.41 301 SHIFTS ASP 40 CB 35.90 1HB 2.87 2HB 2.77 302 SHIFTS GLY 41 N 102.50 H 8.55 CA 43.30 1HA 3.70 303 SHIFTS GLY 41 2HA 4.15 304 SHIFTS ASN 42 N 110.90 H 8.29 CA 50.50 HA 4.45 305 SHIFTS ASN 42 CB 36.00 1HB 3.14 2HB 2.67 ND2 106.40 306 SHIFTS ASN 42 1HD2 7.41 2HD2 6.77 307 SHIFTS ARG 43 N 111.60 H 7.56 CA 51.80 HA 5.38 308 SHIFTS ARG 43 CB 30.10 1HB 1.26 2HB 1.82 CG 24.30 309 SHIFTS ARG 43 QG 1.66 CD 41.00 1HD 3.26 2HD 2.95 310 SHIFTS ARG 43 NE 79.70 HE 7.02 311 SHIFTS ILE 44 N 118.60 H 9.20 CA 57.30 HA 4.66 312 SHIFTS ILE 44 CB 30.80 HB 1.57 CG2 15.90 QG2 0.82 313 SHIFTS ILE 44 CG1 25.00 1HG1 0.86 2HG1 1.51 CD1 11.90 314 SHIFTS ILE 44 QD1 0.67 315 SHIFTS VAL 45 N 122.50 H 9.41 CA 58.40 HA 5.02 316 SHIFTS VAL 45 CB 30.80 HB 1.87 CG1 20.70 QG1 0.91 317 SHIFTS VAL 45 CG2 19.20 QG2 0.85 318 SHIFTS VAL 46 N 121.20 H 8.96 CA 54.80 HA 4.67 319 SHIFTS VAL 46 CB 33.00 HB 2.06 CG1 17.10 QG1 0.90 320 SHIFTS VAL 46 CG2 18.70 QG2 0.76 321 SHIFTS PRO 47 CA 60.10 HA 4.49 CB 29.00 1HB 1.56 322 SHIFTS PRO 47 2HB 1.61 CG 24.80 1HG 1.32 2HG 2.73 323 SHIFTS PRO 47 CD 47.40 1HD 3.85 2HD 4.03 324 SHIFTS VAL 48 N 119.30 H 8.18 CA 59.80 HA 4.34 325 SHIFTS VAL 48 CB 30.10 HB 2.06 CG1 19.20 CG2 19.50 326 SHIFTS VAL 48 QQG 0.97 327 SHIFTS GLY 49 N 114.80 H 9.93 CA 43.40 1HA 4.95 328 SHIFTS GLY 49 2HA 4.14 329 SHIFTS GLY 50 N 107.10 H 8.09 CA 42.70 1HA 3.92 330 SHIFTS GLY 50 2HA 4.36 331 SHIFTS MET 51 N 122.50 H 9.65 CA 54.50 HA 5.32 332 SHIFTS MET 51 CB 27.50 1HB 2.31 2HB 2.51 CG 31.80 333 SHIFTS MET 51 1HG 2.93 2HG 2.03 CE 15.00 QE 1.63 334 SHIFTS HIS 52 N 115.40 H 8.91 CA 57.80 HA 4.21 335 SHIFTS HIS 52 CB 28.10 1HB 3.05 2HB 3.13 CD2 115.20 336 SHIFTS HIS 52 HD2 7.32 CE1 134.80 HE1 8.11 337 SHIFTS LYS 53 N 124.40 H 10.16 CA 56.90 HA 3.98 338 SHIFTS LYS 53 CB 25.50 1HB 1.78 2HB 2.14 QB 1.78 339 SHIFTS LYS 53 CG 22.30 1HG 0.79 2HG 0.91 CD 27.80 340 SHIFTS LYS 53 1HD 1.26 2HD 1.30 QD 1.26 CE 38.70 341 SHIFTS LYS 53 QE 2.75 342 SHIFTS THR 54 N 114.80 H 9.86 CA 65.70 HA 3.63 343 SHIFTS THR 54 CB 65.70 HB 3.85 CG2 16.30 QG2 1.20 344 SHIFTS THR 54 HG1 5.60 345 SHIFTS GLU 55 N 117.30 H 7.63 CA 57.00 HA 3.29 346 SHIFTS GLU 55 CB 31.00 1HB 1.28 2HB 1.65 CG 30.00 347 SHIFTS GLU 55 1HG 0.83 2HG 2.21 QG 0.84 348 SHIFTS ALA 56 N 117.30 H 7.34 CA 51.30 HA 4.06 349 SHIFTS ALA 56 CB 15.50 QB 1.47 350 SHIFTS ASN 57 N 114.80 H 8.35 CA 54.30 HA 4.53 351 SHIFTS ASN 57 CB 33.70 1HB 3.14 2HB 2.86 ND2 100.60 352 SHIFTS ASN 57 1HD2 7.32 2HD2 6.35 353 SHIFTS VAL 58 N 117.30 H 8.50 CA 61.10 HA 4.33 354 SHIFTS VAL 58 CB 29.10 HB 2.21 CG1 19.60 QG1 1.03 355 SHIFTS VAL 58 CG2 21.60 QG2 1.09 356 SHIFTS ALA 59 N 116.70 H 7.59 CA 51.30 HA 4.17 357 SHIFTS ALA 59 CB 15.10 QB 1.53 358 SHIFTS ARG 60 N 110.90 H 7.27 CA 54.00 HA 4.39 359 SHIFTS ARG 60 CB 28.50 QB 1.99 CG 24.60 1HG 1.70 360 SHIFTS ARG 60 2HG 1.84 CD 40.20 QD 3.31 NE 80.40 361 SHIFTS ARG 60 HE 7.34 362 SHIFTS ASP 61 N 116.00 H 8.40 CA 54.50 HA 4.61 363 SHIFTS ASP 61 CB 39.10 1HB 2.56 2HB 3.05 364 SHIFTS GLU 62 N 118.00 H 8.75 CA 54.20 HA 4.59 365 SHIFTS GLU 62 CB 32.10 1HB 2.70 2HB 2.30 CG 38.20 366 SHIFTS GLU 62 QG 2.47 367 SHIFTS ARG 63 N 116.70 H 7.99 CA 56.20 HA 4.54 368 SHIFTS ARG 63 CB 27.40 1HB 2.15 2HB 1.87 CG 25.00 369 SHIFTS ARG 63 1HG 1.83 2HG 1.87 CD 40.30 1HD 3.40 370 SHIFTS ARG 63 2HD 3.16 NE 81.00 HE 8.56 371 SHIFTS VAL 64 N 110.90 H 8.48 CA 55.80 HA 5.14 372 SHIFTS VAL 64 CB 30.00 HB 1.96 CG1 19.70 QG1 0.75 373 SHIFTS VAL 64 CG2 17.00 QG2 0.57 374 SHIFTS LEU 65 N 116.70 H 7.97 CA 50.60 HA 5.48 375 SHIFTS LEU 65 CB 43.50 1HB 1.53 2HB 1.38 CG 25.70 376 SHIFTS LEU 65 HG 1.72 CD1 23.10 QD1 0.87 CD2 23.00 377 SHIFTS LEU 65 QD2 1.04 378 SHIFTS MET 66 N 116.70 H 9.34 CA 50.40 HA 5.86 379 SHIFTS MET 66 CB 35.30 1HB 1.73 2HB 1.76 CG 29.00 380 SHIFTS MET 66 1HG 2.03 2HG 2.27 CE 14.60 QE 1.72 381 SHIFTS THR 67 N 109.00 H 8.70 CA 56.00 HA 5.96 382 SHIFTS THR 67 CB 70.50 HB 4.31 CG2 24.40 QG2 0.96 383 SHIFTS THR 67 HG1 3.01 384 SHIFTS LEU 68 N 111.60 H 7.96 CA 52.00 HA 4.86 385 SHIFTS LEU 68 CB 41.10 1HB 1.83 2HB 1.97 CG 24.40 386 SHIFTS LEU 68 HG 1.58 CD1 24.00 QD1 0.55 CD2 23.70 387 SHIFTS LEU 68 QD2 0.92 388 SHIFTS GLY 69 N 101.90 H 10.00 CA 44.70 1HA 4.25 389 SHIFTS GLY 69 2HA 4.50 390 SHIFTS SER 70 N 104.50 H 8.63 CA 55.80 HA 4.98 391 SHIFTS SER 70 CB 62.60 1HB 4.34 2HB 3.34 392 SHIFTS ARG 71 N 110.30 H 8.10 CA 57.90 HA 4.16 393 SHIFTS ARG 71 CB 25.90 1HB 1.41 2HB 1.44 CG 24.80 394 SHIFTS ARG 71 1HG 1.71 2HG 1.62 CD 38.90 1HD 3.11 395 SHIFTS ARG 71 2HD 3.21 QD 2.28 NE 80.40 HE 7.36 396 SHIFTS LYS 72 N 110.30 H 8.12 CA 53.20 HA 4.16 397 SHIFTS LYS 72 CB 30.00 1HB 1.61 2HB 2.02 CG 22.20 398 SHIFTS LYS 72 1HG 1.40 2HG 1.52 CD 25.70 QD 1.74 399 SHIFTS LYS 72 CE 39.00 QE 3.08 400 SHIFTS VAL 73 N 114.80 H 6.72 CA 57.80 HA 4.10 401 SHIFTS VAL 73 CB 31.50 HB 1.64 CG1 20.40 QG1 1.09 402 SHIFTS VAL 73 CG2 18.90 QG2 0.81 403 SHIFTS ALA 74 N 125.00 H 8.49 CA 51.10 HA 4.01 404 SHIFTS ALA 74 CB 16.10 QB 1.39 405 SHIFTS GLY 75 N 106.40 H 7.93 CA 40.90 1HA 4.44 406 SHIFTS GLY 75 2HA 4.10 407 SHIFTS ARG 76 N 118.00 H 9.82 CA 56.10 HA 4.08 408 SHIFTS ARG 76 CB 27.40 1HB 1.72 2HB 1.76 CG 24.90 409 SHIFTS ARG 76 1HG 1.59 2HG 1.63 CD 40.40 QD 3.14 410 SHIFTS ARG 76 NE 80.60 HE 7.16 411 SHIFTS ASN 77 N 110.90 H 8.66 CA 49.30 HA 4.98 412 SHIFTS ASN 77 CB 36.90 1HB 2.82 2HB 2.45 ND2 108.30 413 SHIFTS ASN 77 1HD2 7.53 2HD2 6.74 414 SHIFTS GLY 78 N 104.50 H 7.64 CA 41.60 1HA 3.86 415 SHIFTS GLY 78 2HA 4.40 416 SHIFTS PRO 79 CA 61.60 HA 4.07 CB 29.00 1HB 1.87 417 SHIFTS PRO 79 2HB 2.27 CG 24.40 1HG 1.98 2HG 2.12 418 SHIFTS PRO 79 CD 46.70 QD 3.62 419 SHIFTS GLY 80 N 111.60 H 8.10 CA 42.30 1HA 4.40 420 SHIFTS GLY 80 2HA 4.05 421 SHIFTS THR 81 N 111.60 H 8.15 CA 57.10 HA 4.57 422 SHIFTS THR 81 CB 66.60 HB 3.74 CG2 18.10 QG2 0.76 423 SHIFTS THR 81 HG1 6.09 424 SHIFTS GLY 82 N 103.20 H 7.81 CA 43.90 1HA 4.20 425 SHIFTS GLY 82 2HA 4.41 426 SHIFTS PHE 83 N 108.30 H 8.52 CA 53.90 HA 5.69 427 SHIFTS PHE 83 CB 42.60 1HB 2.71 2HB 2.87 CD1 128.00 428 SHIFTS PHE 83 CD2 128.00 QD 6.96 QE 7.20 HZ 7.26 429 SHIFTS LEU 84 N 115.40 H 8.95 CA 47.20 HA 5.16 430 SHIFTS LEU 84 CB 40.90 1HB 1.87 2HB 1.81 CG 25.70 431 SHIFTS LEU 84 HG 1.38 CD1 20.60 QD1 0.93 CD2 22.60 432 SHIFTS LEU 84 QD2 0.97 433 SHIFTS ILE 85 N 126.30 H 10.04 CA 55.70 HA 4.95 434 SHIFTS ILE 85 CB 37.30 HB 1.87 CG2 15.30 QG2 0.77 435 SHIFTS ILE 85 CG1 25.80 1HG1 1.21 2HG1 1.36 CD1 10.60 436 SHIFTS ILE 85 QD1 0.66 437 SHIFTS ARG 86 N 120.50 H 8.60 CA 51.50 HA 5.16 438 SHIFTS ARG 86 CB 29.10 1HB 1.79 2HB 1.94 CG 25.50 439 SHIFTS ARG 86 1HG 1.58 2HG 1.73 CD 40.30 1HD 3.11 440 SHIFTS ARG 86 2HD 3.20 NE 80.40 HE 7.36 441 SHIFTS GLY 87 N 104.50 H 8.37 CA 43.10 1HA 4.66 442 SHIFTS GLY 87 2HA 4.03 443 SHIFTS SER 88 N 111.60 H 8.44 CA 53.30 HA 5.28 444 SHIFTS SER 88 CB 62.10 QB 3.77 445 SHIFTS ALA 89 N 121.80 H 9.45 CA 47.30 HA 5.53 446 SHIFTS ALA 89 CB 21.50 QB 1.22 447 SHIFTS ALA 90 N 115.40 H 8.32 CA 48.60 HA 4.59 448 SHIFTS ALA 90 CB 19.70 QB 1.37 449 SHIFTS PHE 91 N 117.30 H 9.15 CA 54.30 HA 5.28 450 SHIFTS PHE 91 CB 37.80 1HB 3.16 2HB 2.68 CD1 128.00 451 SHIFTS PHE 91 CD2 128.00 QD 7.08 QE 6.98 HZ 7.11 452 SHIFTS ARG 92 N 116.70 H 9.43 CA 50.50 HA 5.11 453 SHIFTS ARG 92 CB 27.40 1HB 1.77 2HB 2.31 CG 23.90 454 SHIFTS ARG 92 1HG 1.48 2HG 1.79 CD 39.60 1HD 3.33 455 SHIFTS ARG 92 2HD 3.40 NE 80.40 HE 7.37 456 SHIFTS THR 93 N 106.40 H 8.98 CA 57.80 HA 4.09 457 SHIFTS THR 93 CB 65.80 HB 4.37 CG2 18.60 QG2 1.27 458 SHIFTS ASP 94 N 113.50 H 7.66 CA 50.20 HA 4.51 459 SHIFTS ASP 94 CB 40.20 QB 2.76 460 SHIFTS GLY 95 N 101.30 H 8.63 CA 42.10 1HA 4.63 461 SHIFTS GLY 95 2HA 4.01 462 SHIFTS PRO 96 CA 62.00 HA 4.29 CB 29.90 1HB 1.84 463 SHIFTS PRO 96 2HB 2.39 CG 34.20 1HG 1.98 2HG 2.09 464 SHIFTS PRO 96 QG 2.09 CD 47.70 1HD 3.88 2HD 3.66 465 SHIFTS GLU 97 N 112.80 H 9.44 CA 57.90 HA 3.74 466 SHIFTS GLU 97 CB 25.00 1HB 1.99 2HB 1.63 CG 34.20 467 SHIFTS GLU 97 1HG 2.35 2HG 2.29 468 SHIFTS PHE 98 N 111.60 H 7.23 CA 57.90 HA 3.97 469 SHIFTS PHE 98 CB 36.30 1HB 2.58 2HB 2.74 CD1 128.00 470 SHIFTS PHE 98 CD2 128.00 QD 7.00 QE 6.98 HZ 7.18 471 SHIFTS GLU 99 N 112.80 H 8.28 CA 56.00 HA 3.73 472 SHIFTS GLU 99 CB 26.20 QB 2.00 CG 33.40 1HG 2.42 473 SHIFTS GLU 99 2HG 2.30 474 SHIFTS ALA 100 N 112.80 H 7.43 CA 51.70 HA 4.13 475 SHIFTS ALA 100 CB 14.60 QB 1.49 476 SHIFTS ILE 101 N 102.60 H 7.20 CA 55.80 HA 4.52 477 SHIFTS ILE 101 CB 36.50 HB 2.39 CG2 18.60 QG2 0.78 478 SHIFTS ILE 101 CG1 24.70 1HG1 0.97 2HG1 1.30 CD1 12.50 479 SHIFTS ILE 101 QD1 0.44 480 SHIFTS ALA 102 N 117.30 H 6.94 CA 51.30 HA 3.57 481 SHIFTS ALA 102 CB 15.30 QB 1.14 482 SHIFTS ARG 103 N 109.60 H 7.58 CA 54.00 HA 3.90 483 SHIFTS ARG 103 CB 25.50 1HB 1.38 2HB 1.49 CG 22.80 484 SHIFTS ARG 103 1HG 1.01 2HG 0.50 CD 40.20 QD 2.81 485 SHIFTS PHE 104 N 116.00 H 7.64 CA 53.00 HA 4.26 486 SHIFTS PHE 104 CB 34.40 1HB 2.34 2HB 0.85 CD1 128.00 487 SHIFTS PHE 104 CD2 128.00 QD 7.12 CE1 125.60 CE2 125.60 488 SHIFTS PHE 104 QE 6.98 CZ 126.90 HZ 7.25 489 SHIFTS LYS 105 N 120.50 H 8.54 CA 55.50 HA 4.01 490 SHIFTS LYS 105 CB 28.50 1HB 1.97 2HB 1.90 CG 21.90 491 SHIFTS LYS 105 1HG 1.54 2HG 1.61 CD 25.30 QD 1.75 492 SHIFTS LYS 105 CE 38.90 QE 3.07 493 SHIFTS TRP 106 N 107.00 H 6.76 CA 52.80 HA 4.60 494 SHIFTS TRP 106 CB 26.50 1HB 3.72 2HB 3.20 CD1 126.40 495 SHIFTS TRP 106 HD1 7.56 CE3 118.00 HE3 7.25 NE1 125.60 496 SHIFTS TRP 106 HE1 10.67 CZ3 118.00 HZ3 6.91 CZ2 112.60 497 SHIFTS TRP 106 HZ2 6.96 CH2 121.00 HH2 7.13 498 SHIFTS ALA 107 N 120.50 H 7.24 CA 50.00 HA 4.50 499 SHIFTS ALA 107 CB 15.20 QB 1.03 500 SHIFTS ARG 108 N 116.70 H 9.64 CA 51.70 HA 4.81 501 SHIFTS ARG 108 CB 25.50 1HB 2.20 2HB 1.85 CG 22.80 502 SHIFTS ARG 108 1HG 2.00 2HG 1.31 CD 40.70 1HD 3.46 503 SHIFTS ARG 108 2HD 3.29 HE 6.62 504 SHIFTS ALA 109 N 116.00 H 8.23 CA 48.60 HA 4.69 505 SHIFTS ALA 109 CB 18.30 QB 1.38 506 SHIFTS ALA 110 N 116.00 H 9.32 CA 47.40 HA 4.93 507 SHIFTS ALA 110 CB 18.40 QB 1.14 508 SHIFTS LEU 111 N 122.50 H 8.85 CA 50.60 HA 4.29 509 SHIFTS LEU 111 CB 38.30 1HB 0.61 2HB 1.45 CG 23.30 510 SHIFTS LEU 111 HG 1.05 CD1 20.80 QD1 0.21 CD2 23.30 511 SHIFTS LEU 111 QD2 0.50 512 SHIFTS VAL 112 N 122.50 H 9.15 CA 58.10 HA 4.60 513 SHIFTS VAL 112 CB 29.70 HB 2.03 CG1 17.90 QG1 0.79 514 SHIFTS VAL 112 CG2 17.90 QG2 0.77 515 SHIFTS ILE 113 N 126.30 H 9.90 CA 57.00 HA 4.66 516 SHIFTS ILE 113 CB 37.00 HB 1.73 CG2 13.60 QG2 0.47 517 SHIFTS ILE 113 CG1 25.00 1HG1 0.74 2HG1 1.37 CD1 11.60 518 SHIFTS ILE 113 QD1 0.61 519 SHIFTS THR 114 N 121.80 H 9.37 CA 60.20 HA 4.47 520 SHIFTS THR 114 CB 65.50 HB 4.11 CG2 17.80 QG2 1.13 521 SHIFTS THR 114 HG1 5.80 522 SHIFTS VAL 115 N 123.70 H 8.58 CA 62.30 HA 3.47 523 SHIFTS VAL 115 CB 29.70 HB 2.00 CG1 18.60 QG1 0.75 524 SHIFTS VAL 115 CG2 19.20 QG2 0.77 525 SHIFTS VAL 116 N 122.50 H 9.23 CA 60.30 HA 4.23 526 SHIFTS VAL 116 CB 32.90 HB 1.97 CG1 17.90 CG2 18.40 527 SHIFTS VAL 116 QQG 0.97 528 SHIFTS SER 117 N 108.30 H 8.02 CA 54.80 HA 4.63 529 SHIFTS SER 117 CB 62.40 1HB 3.80 2HB 3.94 530 SHIFTS ALA 118 N 119.90 H 8.62 CA 48.10 HA 5.20 531 SHIFTS ALA 118 CB 18.40 QB 1.09 532 SHIFTS GLU 119 N 118.00 H 9.00 CA 51.90 HA 4.80 533 SHIFTS GLU 119 CB 30.20 1HB 2.13 2HB 2.08 CG 33.20 534 SHIFTS GLU 119 1HG 2.31 2HG 2.20 535 SHIFTS GLN 120 N 123.80 H 9.15 CA 53.70 HA 4.29 536 SHIFTS GLN 120 CB 29.20 1HB 2.06 2HB 1.77 CG 33.40 537 SHIFTS GLN 120 1HG 2.14 2HG 1.84 NE2 105.80 1HE2 7.94 538 SHIFTS GLN 120 2HE2 7.15 539 SHIFTS THR 121 N 115.40 H 8.22 CA 59.20 HA 4.43 540 SHIFTS THR 121 CB 64.80 HB 4.97 CG2 20.20 QG2 1.23 541 SHIFTS THR 121 HG1 5.89 542 SHIFTS LEU 122 N 121.80 H 7.21 CA 54.10 HA 3.98 543 SHIFTS LEU 122 CB 42.90 1HB 0.86 2HB 1.04 CG 23.40 544 SHIFTS LEU 122 HG 1.47 CD1 19.90 QD1 0.02 CD2 23.40 545 SHIFTS LEU 122 QD2 0.23 546 SHIFTS FMN 123 N3 153.40 3H 10.87 C6 130.30 H6 5.89 547 SHIFTS FMN 123 C9 116.10 H9 7.72 C7M 18.40 QM7 0.77 548 SHIFTS FMN 123 C8M 18.20 QM8 2.04 C1* 47.20 1H1* 4.97 549 SHIFTS FMN 123 2H1* 5.18 C2* 72.90 H2* 4.35 *HO2 5.80 550 SHIFTS FMN 123 C3* 69.50 H3* 4.42 *HO3 6.25 C4* 69.40 551 SHIFTS FMN 123 H4* 4.47 *HO4 5.88 C5* 59.30 1H5* 4.47 552 SHIFTS FMN 123 2H5* 4.18 553
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