============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. TYR 4 0.840 -18.723 49.014 63.188 -99.200 -91.000 HIS 22 0.900 -26.330 56.573 64.054 -99.200 -91.000 PHE 34 1.000 -25.514 29.479 47.148 -99.200 -91.000 TYR 38 0.840 -28.108 24.459 37.199 -99.200 -91.000 TRP 43 1.040 -36.524 18.778 37.938 -99.200 -91.000 TRP6 43 1.020 -36.575 16.955 39.406 -99.200 -91.000 HIS 46 0.900 -29.639 27.612 45.545 -99.200 -91.000 TRP 52 1.040 -25.090 26.689 58.812 -99.200 -91.000 TRP6 52 1.020 -25.506 28.697 60.000 -99.200 -91.000 TRP 88 1.040 -34.994 22.362 59.452 -99.200 -91.000 TRP6 88 1.020 -35.820 24.343 58.508 -99.200 -91.000 TYR 97 0.840 -34.968 16.792 46.832 -99.200 -91.000 TRP 102 1.040 -35.267 32.371 42.767 -99.200 -91.000 TRP6 102 1.020 -35.435 33.290 40.608 -99.200 -91.000 HIS 113 0.900 -52.501 17.407 37.708 -99.200 -91.000 TYR 122 0.840 -58.778 30.386 48.206 -99.200 -91.000 TYR 134 0.840 -41.132 33.605 41.032 -99.200 -91.000 PHE 135 1.000 -45.196 32.782 42.872 -99.200 -91.000 TRP 142 1.040 -41.293 17.134 43.215 -99.200 -91.000 TRP6 142 1.020 -39.290 16.328 44.199 -99.200 -91.000 HIS 146 0.900 -38.036 12.355 46.046 -99.200 -91.000 PHE 161 1.000 -42.089 26.563 53.961 -99.200 -91.000 TRP 167 1.040 -30.964 26.460 55.959 -99.200 -91.000 TRP6 167 1.020 -31.069 24.460 57.232 -99.200 -91.000 TRP 170 1.040 -34.699 25.665 63.470 -99.200 -91.000 TRP6 170 1.020 -33.281 23.784 63.135 -99.200 -91.000 HIS 178 0.900 -40.059 26.686 61.791 -99.200 -91.000 TYR 182 0.840 -46.876 39.925 59.061 -99.200 -91.000 PHE 191 1.000 -48.993 35.310 55.713 -99.200 -91.000 HIS 194 0.900 -56.047 40.385 50.574 -99.200 -91.000 TRP 198 1.040 -48.577 30.044 58.478 -99.200 -91.000 TRP6 198 1.020 -46.963 30.286 56.744 -99.200 -91.000 TYR 223 0.840 -37.363 38.938 63.320 -99.200 -91.000 PHE 244 1.000 -37.652 49.724 55.319 -99.200 -91.000 TYR 258 0.840 -32.437 47.740 35.500 -99.200 -91.000 PHE 263 1.000 -36.346 39.106 40.517 -99.200 -91.000 TYR 293 0.840 -51.220 44.390 51.768 -99.200 -91.000 PHE 300 1.000 -39.237 34.796 36.166 -99.200 -91.000 TRP 308 1.040 -27.227 33.357 24.358 -99.200 -91.000 TRP6 308 1.020 -27.894 34.758 22.584 -99.200 -91.000 TYR 320 0.840 -11.879 45.469 23.868 -99.200 -91.000 TYR 324 0.840 -15.682 49.028 22.627 -99.200 -91.000 PHE 325 1.000 -17.873 44.913 21.107 -99.200 -91.000 TYR 336 0.840 -37.986 46.132 17.987 -99.200 -91.000 PHE 341 1.000 -31.830 33.662 25.808 -99.200 -91.000 TYR 348 0.840 -45.834 39.528 27.674 -99.200 -91.000 TRP 349 1.040 -47.127 35.647 34.981 -99.200 -91.000 TRP6 349 1.020 -45.440 34.968 36.461 -99.200 -91.000 TYR 352 0.840 -46.098 25.476 27.068 -99.200 -91.000 PHE 358 1.000 -39.166 38.096 16.109 -99.200 -91.000 HIS 368 0.900 -26.710 47.550 13.204 -99.200 -91.000 TYR 379 0.840 -37.721 48.079 23.140 -99.200 -91.000 HIS 397 0.900 -42.509 62.956 40.440 -99.200 -91.000 PHE 410 1.000 -27.862 51.902 24.617 -99.200 -91.000 PHE 414 1.000 -34.106 51.756 24.477 -99.200 -91.000 TYR 438 0.840 -31.345 52.042 55.381 -99.200 -91.000 PHE 446 1.000 -26.606 51.519 64.442 -99.200 -91.000 TRP 447 1.040 -29.661 54.460 61.589 -99.200 -91.000 TRP6 447 1.020 -29.053 52.405 60.584 -99.200 -91.000 PHE 463 1.000 -29.025 57.715 33.746 -99.200 -91.000 TYR 474 0.840 -42.262 53.191 14.060 -99.200 -91.000 TYR 476 0.840 -43.969 48.812 24.844 -99.200 -91.000 TRP 479 1.040 -40.913 44.666 23.804 -99.200 -91.000 TRP6 479 1.020 -39.042 43.245 23.942 -99.200 -91.000 TRP 489 1.040 -39.972 27.705 19.104 -99.200 -91.000 TRP6 489 1.020 -40.214 28.241 16.826 -99.200 -91.000 HIS 492 0.900 -49.600 23.467 24.734 -99.200 -91.000