============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 5 0.840 42.092 37.048 14.993 -99.200 -91.000 PHE 10 1.000 46.214 49.094 22.698 -99.200 -91.000 PHE 24 1.000 38.317 45.097 24.255 -99.200 -91.000 PHE 29 1.000 39.883 33.909 23.718 -99.200 -91.000 TYR 37 0.840 39.923 21.108 22.171 -99.200 -91.000 TRP 51 1.040 37.293 33.406 32.615 -99.200 -91.000 TRP6 51 1.020 38.820 33.485 30.801 -99.200 -91.000 PHE 62 1.000 52.658 44.364 29.035 -99.200 -91.000 TRP 80 1.040 57.274 24.236 19.654 -99.200 -91.000 TRP6 80 1.020 56.309 26.188 18.722 -99.200 -91.000 TYR 96 0.840 61.274 44.239 25.048 -99.200 -91.000 PHE 105 1.000 48.311 45.483 34.224 -99.200 -91.000 TYR 109 0.840 43.814 48.596 33.500 -99.200 -91.000 PHE 113 1.000 47.174 45.078 29.201 -99.200 -91.000 HIS 114 0.900 49.249 46.985 21.026 -99.200 -91.000 PHE 115 1.000 50.267 40.702 24.438 -99.200 -91.000 PHE 117 1.000 50.484 36.611 19.265 -99.200 -91.000 TRP 118 1.040 55.376 34.993 10.046 -99.200 -91.000 TRP6 118 1.020 56.271 36.987 9.136 -99.200 -91.000 TYR 120 0.840 46.568 32.890 7.835 -99.200 -91.000 TRP 123 1.040 55.856 41.142 11.804 -99.200 -91.000 TRP6 123 1.020 56.478 39.908 13.741 -99.200 -91.000 PHE 141 1.000 44.715 27.787 31.634 -99.200 -91.000 HIS 143 0.900 52.652 30.245 36.927 -99.200 -91.000 PHE 150 1.000 49.355 40.178 36.981 -99.200 -91.000 TRP 151 1.040 56.400 39.867 30.617 -99.200 -91.000 TRP6 151 1.020 57.158 38.438 28.863 -99.200 -91.000 TYR 159 0.840 51.702 33.485 21.091 -99.200 -91.000 TYR 165 0.840 44.082 30.635 28.161 -99.200 -91.000 PHE 177 1.000 56.437 31.699 18.425 -99.200 -91.000 PHE 180 1.000 58.463 34.782 15.535 -99.200 -91.000 PHE 186 1.000 61.867 20.204 13.269 -99.200 -91.000 TYR 187 0.840 70.477 20.564 13.035 -99.200 -91.000 TYR 197 0.840 79.962 24.427 21.699 -99.200 -91.000 TYR 216 0.840 60.429 4.899 22.133 -99.200 -91.000 HIS 233 0.900 58.064 19.829 29.511 -99.200 -91.000 TYR 235 0.840 63.391 19.853 29.172 -99.200 -91.000 PHE 245 1.000 85.274 17.844 34.249 -99.200 -91.000 HIS 248 0.900 92.593 16.694 27.002 -99.200 -91.000 TRP 259 1.040 56.602 21.617 33.489 -99.200 -91.000 TRP6 259 1.020 57.117 19.513 34.459 -99.200 -91.000 TRP 263 1.040 71.603 16.836 33.930 -99.200 -91.000 TRP6 263 1.020 71.266 14.635 33.147 -99.200 -91.000 TRP 267 1.040 79.415 19.063 33.180 -99.200 -91.000 TRP6 267 1.020 81.221 20.414 33.868 -99.200 -91.000 TRP 274 1.040 78.693 23.370 37.737 -99.200 -91.000 TRP6 274 1.020 79.082 24.624 35.751 -99.200 -91.000 HIS 276 0.900 87.243 18.596 40.864 -99.200 -91.000 PHE 294 1.000 68.382 21.158 32.792 -99.200 -91.000 TRP 295 1.040 75.137 26.055 32.617 -99.200 -91.000 TRP6 295 1.020 75.685 26.857 30.454 -99.200 -91.000 PHE 301 1.000 70.857 18.628 23.733 -99.200 -91.000 PHE 305 1.000 66.744 16.851 26.621 -99.200 -91.000