============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 10 1.000 52.680 25.297 26.576 -99.200 -91.000 PHE 20 1.000 51.850 29.951 11.249 -99.200 -91.000 PHE 29 1.000 49.455 18.945 2.541 -99.200 -91.000 TYR 30 0.840 43.689 19.791 1.520 -99.200 -91.000 PHE 50 1.000 39.920 30.529 11.048 -99.200 -91.000 TRP 57 1.040 34.542 26.461 20.065 -99.200 -91.000 TRP6 57 1.020 34.141 24.124 20.056 -99.200 -91.000 TYR 60 0.840 25.702 25.849 17.481 -99.200 -91.000 TYR 62 0.840 33.822 25.989 26.088 -99.200 -91.000 PHE 66 1.000 35.519 20.765 25.127 -99.200 -91.000 PHE 72 1.000 25.691 8.864 23.347 -99.200 -91.000 PHE 73 1.000 22.591 16.087 23.634 -99.200 -91.000 TRP 78 1.040 29.025 27.354 30.399 -99.200 -91.000 TRP6 78 1.020 30.585 25.573 30.579 -99.200 -91.000 TYR 94 0.840 42.300 34.040 34.302 -99.200 -91.000 TYR 96 0.840 35.708 34.659 28.109 -99.200 -91.000 HIS 98 0.900 38.347 23.972 28.042 -99.200 -91.000 PHE 101 1.000 44.769 23.823 23.019 -99.200 -91.000 PHE 105 1.000 43.431 20.782 19.406 -99.200 -91.000 PHE 123 1.000 31.587 30.404 -0.504 -99.200 -91.000 PHE 129 1.000 30.336 18.095 5.366 -99.200 -91.000 TRP 133 1.040 31.396 16.006 9.871 -99.200 -91.000 TRP6 133 1.020 33.409 16.834 10.804 -99.200 -91.000 TYR 138 0.840 35.678 19.154 16.725 -99.200 -91.000 HIS 143 0.900 29.775 16.059 26.276 -99.200 -91.000 TRP 146 1.040 40.036 15.450 23.753 -99.200 -91.000 TRP6 146 1.020 40.208 16.544 21.650 -99.200 -91.000 HIS 154 0.900 32.521 2.897 28.292 -99.200 -91.000 PHE 159 1.000 48.572 14.879 25.869 -99.200 -91.000 TYR 178 0.840 30.933 5.857 -2.970 -99.200 -91.000 PHE 185 1.000 47.158 19.375 -11.049 -99.200 -91.000 HIS 188 0.900 49.119 24.642 -8.555 -99.200 -91.000 PHE 194 1.000 59.678 22.875 2.789 -99.200 -91.000 TYR 201 0.840 57.988 19.907 12.499 -99.200 -91.000 TRP 204 1.040 50.203 18.070 14.904 -99.200 -91.000 TRP6 204 1.020 49.218 17.530 12.815 -99.200 -91.000 PHE 205 1.000 57.043 20.846 17.338 -99.200 -91.000 PHE 207 1.000 46.179 19.061 16.794 -99.200 -91.000 PHE 223 1.000 58.403 21.586 21.412 -99.200 -91.000 TRP 237 1.040 55.809 8.695 2.155 -99.200 -91.000 TRP6 237 1.020 53.499 8.870 2.664 -99.200 -91.000 PHE 239 1.000 63.897 1.273 3.606 -99.200 -91.000 TRP 242 1.040 66.646 4.143 -2.136 -99.200 -91.000 TRP6 242 1.020 67.016 1.949 -1.288 -99.200 -91.000 TYR 270 0.840 47.566 9.810 27.205 -99.200 -91.000 TRP 289 1.040 49.283 -1.042 2.377 -99.200 -91.000 TRP6 289 1.020 47.182 -0.748 3.435 -99.200 -91.000 PHE 305 1.000 39.783 14.261 2.796 -99.200 -91.000 PHE 322 1.000 55.091 0.946 21.278 -99.200 -91.000 PHE 332 1.000 48.347 0.310 29.089 -99.200 -91.000 HIS 340 0.900 39.260 -2.511 29.885 -99.200 -91.000 TRP 355 1.040 28.510 10.757 16.045 -99.200 -91.000 TRP6 355 1.020 27.317 10.092 17.978 -99.200 -91.000 PHE 361 1.000 24.413 9.068 2.509 -99.200 -91.000 TYR 364 0.840 29.891 15.339 2.216 -99.200 -91.000