============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 13 0.900 61.539 57.612 2.677 -99.200 -91.000 HIS 21 0.900 69.070 46.638 17.786 -99.200 -91.000 PHE 45 1.000 79.555 39.877 7.204 -99.200 -91.000 TYR 52 0.840 77.347 36.894 -6.740 -99.200 -91.000 TRP 75 1.040 62.456 35.750 1.412 -99.200 -91.000 TRP6 75 1.020 64.422 36.760 2.243 -99.200 -91.000 HIS 86 0.900 78.318 38.123 19.367 -99.200 -91.000 PHE 88 1.000 74.551 37.648 14.953 -99.200 -91.000 HIS 93 0.900 62.871 43.851 4.574 -99.200 -91.000 TYR 95 0.840 59.512 48.873 0.051 -99.200 -91.000 PHE 99 1.000 65.578 39.384 -2.861 -99.200 -91.000 TYR 100 0.840 66.535 46.437 1.894 -99.200 -91.000 PHE 103 1.000 73.358 38.662 8.765 -99.200 -91.000 PHE 116 1.000 54.566 33.792 17.443 -99.200 -91.000 HIS 130 0.900 38.035 44.764 27.863 -99.200 -91.000 TYR 149 0.840 59.470 48.703 25.989 -99.200 -91.000 TYR 154 0.840 51.454 57.890 22.538 -99.200 -91.000 PHE 156 1.000 48.225 59.389 16.478 -99.200 -91.000 HIS 158 0.900 39.445 65.011 9.675 -99.200 -91.000 TYR 176 0.840 54.696 61.420 30.362 -99.200 -91.000 TYR 181 0.840 51.197 63.332 20.468 -99.200 -91.000 TYR 194 0.840 55.424 55.268 14.423 -99.200 -91.000 TYR 207 0.840 70.805 55.182 17.143 -99.200 -91.000 PHE 212 1.000 80.043 54.197 4.756 -99.200 -91.000 PHE 223 1.000 71.294 50.285 -1.016 -99.200 -91.000 TYR 227 0.840 57.490 47.668 4.076 -99.200 -91.000 HIS 237 0.900 61.431 59.478 18.517 -99.200 -91.000 TYR 240 0.840 59.656 65.283 21.878 -99.200 -91.000 TRP 259 1.040 40.981 55.064 15.814 -99.200 -91.000 TRP6 259 1.020 41.255 54.297 18.031 -99.200 -91.000 PHE 262 1.000 48.015 49.673 22.428 -99.200 -91.000 HIS 265 0.900 58.052 56.176 25.610 -99.200 -91.000 HIS 266 0.900 62.631 49.119 30.719 -99.200 -91.000 TYR 273 0.840 61.656 38.350 13.435 -99.200 -91.000 PHE 278 1.000 54.145 42.133 22.289 -99.200 -91.000 PHE 281 1.000 47.658 43.791 20.641 -99.200 -91.000 PHE 322 1.000 10.199 82.130 17.330 -99.200 -91.000 HIS 327 0.900 8.437 72.033 24.702 -99.200 -91.000 TYR 372 0.840 30.117 83.039 7.566 -99.200 -91.000 HIS 373 0.900 32.064 77.140 5.640 -99.200 -91.000 TRP 377 1.040 33.279 87.006 14.546 -99.200 -91.000 TRP6 377 1.020 32.375 86.595 12.401 -99.200 -91.000 PHE 388 1.000 14.745 79.170 8.102 -99.200 -91.000 TRP 390 1.040 19.495 84.474 7.098 -99.200 -91.000 TRP6 390 1.020 21.398 83.635 5.971 -99.200 -91.000 PHE 392 1.000 22.760 83.147 11.786 -99.200 -91.000 TRP 393 1.040 23.476 75.559 13.420 -99.200 -91.000 TRP6 393 1.020 21.978 73.790 13.852 -99.200 -91.000 PHE 394 1.000 25.944 81.911 17.455 -99.200 -91.000 HIS 396 0.900 31.591 78.258 24.870 -99.200 -91.000 HIS 400 0.900 43.534 71.216 27.715 -99.200 -91.000 PHE 413 1.000 48.880 71.343 27.546 -99.200 -91.000 TRP 416 1.040 46.801 71.236 21.620 -99.200 -91.000 TRP6 416 1.020 45.547 72.061 23.447 -99.200 -91.000 HIS 423 0.90