============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TRP 7 1.040 19.930 -53.191 -24.284 -99.200 -91.000 TRP6 7 1.020 18.088 -54.493 -23.599 -99.200 -91.000 TYR 14 0.840 21.811 -46.813 -33.740 -99.200 -91.000 PHE 24 1.000 34.547 -45.809 -19.969 -99.200 -91.000 HIS 36 0.900 20.782 -50.284 -32.957 -99.200 -91.000 PHE 44 1.000 16.257 -52.281 -17.429 -99.200 -91.000 PHE 58 1.000 21.850 -43.306 -22.648 -99.200 -91.000 TRP 59 1.040 11.709 -45.304 -22.852 -99.200 -91.000 TRP6 59 1.020 11.973 -46.283 -24.997 -99.200 -91.000 HIS 61 0.900 10.428 -37.787 -16.840 -99.200 -91.000 PHE 64 1.000 14.972 -44.617 -17.038 -99.200 -91.000 TYR 67 0.840 12.177 -49.518 -17.033 -99.200 -91.000 PHE 82 1.000 27.391 -35.305 -13.605 -99.200 -91.000 TYR 87 0.840 19.928 -25.624 -17.782 -99.200 -91.000 PHE 89 1.000 14.181 -27.984 -16.218 -99.200 -91.000 TRP 91 1.040 20.448 -32.965 -11.002 -99.200 -91.000 TRP6 91 1.020 21.402 -35.083 -11.461 -99.200 -91.000 TYR 96 0.840 9.092 -44.676 -8.038 -99.200 -91.000 TYR 103 0.840 24.366 -40.212 -13.695 -99.200 -91.000 TYR 114 0.840 6.991 -16.591 -34.398 -99.200 -91.000 TRP 126 1.040 -2.448 -19.369 -23.733 -99.200 -91.000 TRP6 126 1.020 -3.245 -20.771 -25.485 -99.200 -91.000 PHE 146 1.000 -3.942 -25.842 -28.886 -99.200 -91.000 TYR 152 0.840 2.754 -33.828 -24.507 -99.200 -91.000 PHE 153 1.000 0.035 -31.916 -28.987 -99.200 -91.000 TRP 155 1.040 -1.321 -30.128 -17.499 -99.200 -91.000 TRP6 155 1.020 -3.290 -30.411 -16.225 -99.200 -91.000 TYR 164 0.840 -1.531 -29.180 -7.910 -99.200 -91.000 PHE 166 1.000 -1.157 -37.882 -9.776 -99.200 -91.000 TYR 168 0.840 9.115 -33.539 -7.287 -99.200 -91.000 TYR 173 0.840 5.558 -36.465 -9.020 -99.200 -91.000 PHE 191 1.000 -8.464 -17.253 -23.208 -99.200 -91.000 HIS 200 0.900 -12.208 -16.135 -31.609 -99.200 -91.000 TYR 207 0.840 0.875 -34.275 -34.308 -99.200 -91.000 PHE 214 1.000 2.990 -23.040 -38.530 -99.200 -91.000 TRP 227 1.040 6.679 -34.036 -31.833 -99.200 -91.000 TRP6 227 1.020 6.654 -33.446 -29.555 -99.200 -91.000 TRP 229 1.040 10.864 -27.519 -33.817 -99.200 -91.000 TRP6 229 1.020 12.785 -27.314 -32.457 -99.200 -91.000 TYR 239 0.840 9.997 -23.749 -38.472 -99.200 -91.000 PHE 247 1.000 -5.996 -18.171 -18.598 -99.200 -91.000 PHE 255 1.000 1.401 -33.097 -18.238 -99.200 -91.000 PHE 276 1.000 29.583 -44.067 -21.818 -99.200 -91.000 TYR 280 0.840 35.571 -41.053 -20.593 -99.200 -91.000 TYR 304 0.840 26.201 -29.815 -26.900 -99.200 -91.000 PHE 336 1.000 -3.374 -35.313 -16.397 -99.200 -91.000 TRP 337 1.040 -1.656 -39.772 -19.834 -99.200 -91.000 TRP6 337 1.020 -0.855 -37.581 -20.305 -99.200 -91.000 TYR 338 0.840 -11.203 -42.946 -21.593 -99.200 -91.000 TRP 392 1.040 4.579 -58.052 5.252 -99.200 -91.000 TRP6 392 1.020 4.168 -60.308 5.833 -99.200 -91.000 TYR 395 0.840 10.361 -50.917 7.149 -99.200 -91.000 TYR 399 0.840 -3.647 -43.792 10.845 -99.200 -91.000 TYR 400 0.840 -5.131 -44.111 6.868 -99.200 -91.000 TYR 402 0.840 -8.743 -54.745 8.957 -99.200 -91.000 TYR 403 0.840 -7.099 -57.917 5.757 -99.200 -91.000 TYR 404 0.840 0.591 -56.232 6.162 -99.200 -91.000 TYR 408 0.840 0.653 -71.174 0.867 -99.200 -91.000 PHE 420 1.000 -0.692 -67.500 5.887 -99.200 -91.000 TYR 440 0.840 5.550 -74.161 -3.213 -99.200 -91.000 TYR 445 0.840 -3.203 -59.748 -3.035 -99.200 -91.000 HIS 448 0.900 -7.687 -47.821 4.042 -99.200 -91.000 TYR 449 0.840 -9.906 -47.204 9.199 -99.200 -91.000 TYR 451 0.840 -10.844 -46.568 0.848 -99.200 -91.000 TYR 462 0.840 13.268 -69.066 -1.444 -99.200 -91.000