============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. PHE 4 1.000 41.273 27.529 67.149 -99.200 -91.000 TYR 6 0.840 38.886 35.822 64.150 -99.200 -91.000 TRP 15 1.040 42.153 11.856 82.836 -99.200 -91.000 TRP6 15 1.020 41.328 12.625 80.756 -99.200 -91.000 TYR 26 0.840 36.925 17.813 73.788 -99.200 -91.000 PHE 27 1.000 40.606 22.458 67.423 -99.200 -91.000 TRP 45 1.040 49.240 20.734 73.657 -99.200 -91.000 TRP6 45 1.020 47.126 20.227 74.571 -99.200 -91.000 PHE 60 1.000 31.523 31.409 63.018 -99.200 -91.000 TRP 68 1.040 31.666 10.510 85.125 -99.200 -91.000 TRP6 68 1.020 30.503 11.709 83.458 -99.200 -91.000 TYR 79 0.840 26.926 18.701 78.083 -99.200 -91.000 PHE 90 1.000 28.272 15.591 68.899 -99.200 -91.000 TYR 92 0.840 36.195 8.152 74.726 -99.200 -91.000 TRP 97 1.040 34.971 10.953 71.047 -99.200 -91.000 TRP6 97 1.020 34.317 12.620 72.610 -99.200 -91.000 TRP 120 1.040 28.118 16.687 92.915 -99.200 -91.000 TRP6 120 1.020 26.401 17.990 91.962 -99.200 -91.000 TYR 133 0.840 24.916 25.947 85.308 -99.200 -91.000 TYR 134 0.840 19.640 26.268 78.685 -99.200 -91.000 HIS 145 0.900 16.310 29.807 81.281 -99.200 -91.000 TYR 147 0.840 16.992 20.758 80.405 -99.200 -91.000 TRP 149 1.040 21.672 12.631 82.968 -99.200 -91.000 TRP6 149 1.020 22.680 10.937 84.222 -99.200 -91.000 TRP 153 1.040 20.150 15.070 79.762 -99.200 -91.000 TRP6 153 1.020 21.790 16.539 80.654 -99.200 -91.000 PHE 159 1.000 21.828 30.815 87.901 -99.200 -91.000 TYR 181 0.840 32.705 32.393 89.677 -99.200 -91.000 TYR 182 0.840 25.822 36.290 86.408 -99.200 -91.000 HIS 192 0.900 22.585 33.476 91.345 -99.200 -91.000 TRP 194 1.040 22.502 24.169 95.346 -99.200 -91.000 TRP6 194 1.020 20.181 24.438 95.034 -99.200 -91.000 TRP 199 1.040 20.625 28.027 91.887 -99.200 -91.000 TRP6 199 1.020 22.883 27.833 91.264 -99.200 -91.000 TYR 200 0.840 24.880 31.770 98.507 -99.200 -91.000 PHE 204 1.000 34.934 37.611 91.354 -99.200 -91.000 TRP 219 1.040 43.520 23.706 93.577 -99.200 -91.000 TRP6 219 1.020 43.529 25.696 92.292 -99.200 -91.000 TYR 228 0.840 42.020 31.417 85.076 -99.200 -91.000 TRP 229 1.040 37.982 39.421 83.784 -99.200 -91.000 TRP6 229 1.020 38.051 38.840 86.068 -99.200 -91.000 TYR 237 0.840 42.321 42.142 83.582 -99.200 -91.000 TYR 241 0.840 37.059 31.918 98.484 -99.200 -91.000 TRP 245 1.040 36.118 35.775 95.842 -99.200 -91.000 TRP6 245 1.020 36.636 34.444 93.948 -99.200 -91.000 PHE 265 1.000 33.872 33.471 71.891 -99.200 -91.000 PHE 279 1.000 43.908 24.606 76.489 -99.200 -91.000 PHE 280 1.000 46.535 32.814 74.259 -99.200 -91.000 TRP 290 1.040 47.995 33.175 78.823 -99.200 -91.000 TRP6 290 1.020 50.022 34.337 79.097 -99.200 -91.000 TRP 292 1.040 50.483 27.573 88.755 -99.200 -91.000 TRP6 292 1.020 51.347 29.639 89.438 -99.200 -91.000 TRP 298 1.040 49.647 32.398 85.839 -99.200 -91.000 TRP6 298 1.020 48.083 30.867 84.964 -99.200 -91.000 TRP 312 1.040 48.128 27.394 52.865 -99.200 -91.000 TRP6 312 1.020 49.260 29.476 52.825 -99.200 -91.000