============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 80 rings ring int. center anis. iso. PHE 8 1.000 34.277 64.612 -12.037 -99.200 -91.000 HIS 14 0.900 38.554 52.890 -6.994 -99.200 -91.000 PHE 17 1.000 35.901 38.030 -8.500 -99.200 -91.000 PHE 25 1.000 37.329 41.477 -4.679 -99.200 -91.000 PHE 28 1.000 42.096 46.335 1.579 -99.200 -91.000 HIS 30 0.900 37.946 35.924 1.853 -99.200 -91.000 PHE 38 1.000 26.836 33.390 5.914 -99.200 -91.000 TRP 70 1.040 27.762 47.114 -10.488 -99.200 -91.000 TRP6 70 1.020 28.288 49.168 -11.515 -99.200 -91.000 HIS 79 0.900 31.538 40.592 14.696 -99.200 -91.000 TYR 81 0.840 24.398 36.897 15.257 -99.200 -91.000 TYR 86 0.840 30.253 38.836 4.758 -99.200 -91.000 PHE 92 1.000 28.110 41.640 -3.361 -99.200 -91.000 TRP 113 1.040 28.897 64.564 15.991 -99.200 -91.000 TRP6 113 1.020 27.107 63.808 14.636 -99.200 -91.000 TYR 124 0.840 32.311 49.362 24.322 -99.200 -91.000 TYR 125 0.840 42.491 52.901 23.224 -99.200 -91.000 PHE 136 1.000 26.694 54.459 23.487 -99.200 -91.000 TRP 140 1.040 29.354 39.716 24.282 -99.200 -91.000 TRP6 140 1.020 31.321 38.460 23.907 -99.200 -91.000 HIS 149 0.900 25.814 46.487 18.965 -99.200 -91.000 PHE 155 1.000 20.620 43.126 26.375 -99.200 -91.000 TYR 162 0.840 23.641 54.423 32.019 -99.200 -91.000 PHE 192 1.000 17.638 60.757 15.621 -99.200 -91.000 TRP 193 1.040 10.752 55.377 16.193 -99.200 -91.000 TRP6 193 1.020 9.808 53.794 14.710 -99.200 -91.000 TRP 203 1.040 16.559 52.154 8.131 -99.200 -91.000 TRP6 203 1.020 14.212 52.047 7.921 -99.200 -91.000 TYR 207 0.840 30.597 60.749 8.345 -99.200 -91.000 TRP 209 1.040 25.640 55.090 14.525 -99.200 -91.000 TRP6 209 1.020 23.323 54.986 14.065 -99.200 -91.000 PHE 223 1.000 29.907 37.831 39.282 -99.200 -91.000 HIS 239 0.900 12.945 27.445 38.107 -99.200 -91.000 TRP 241 1.040 20.780 34.158 35.337 -99.200 -91.000 TRP6 241 1.020 19.472 34.194 33.373 -99.200 -91.000 PHE 243 1.000 11.867 32.745 38.816 -99.200 -91.000 PHE 252 1.000 24.164 44.758 42.255 -99.200 -91.000 TRP 266 1.040 30.685 24.580 29.098 -99.200 -91.000 TRP6 266 1.020 30.312 26.795 28.349 -99.200 -91.000 PHE 272 1.000 29.175 46.923 34.642 -99.200 -91.000 HIS 273 0.900 27.163 47.203 42.190 -99.200 -91.000 PHE 274 1.000 26.209 50.618 35.644 -99.200 -91.000 PHE 284 1.000 25.403 39.111 41.906 -99.200 -91.000 PHE 288 1.000 21.949 32.433 41.533 -99.200 -91.000 TYR 298 0.840 31.775 39.137 43.920 -99.200 -91.000 TRP 303 1.040 32.283 51.243 31.034 -99.200 -91.000 TRP6 303 1.020 33.082 52.117 28.994 -99.200 -91.000 PHE 307 1.000 31.179 47.559 28.811 -99.200 -91.000 TYR 309 0.840 37.760 39.894 34.184 -99.200 -91.000 PHE 323 1.000 41.454 45.059 10.482 -99.200 -91.000 PHE 326 1.000 39.707 36.001 23.282 -99.200 -91.000 PHE 331 1.000 28.555 33.399 14.217 -99.200 -91.000 PHE 347 1.000 16.482 28.058 32.474 -99.200 -91.000 TYR 348 0.840 17.015 17.216 33.440 -99.200 -91.000 PHE 361 1.000