============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 19.259 62.621 29.040 -99.200 -91.000 HIS 23 0.900 14.512 53.537 21.970 -99.200 -91.000 HIS 25 0.900 10.012 54.702 25.576 -99.200 -91.000 PHE 38 1.000 16.536 48.874 19.370 -99.200 -91.000 HIS 57 0.900 43.092 50.312 28.953 -99.200 -91.000 PHE 61 1.000 27.506 45.466 24.311 -99.200 -91.000 HIS 73 0.900 5.735 48.721 23.042 -99.200 -91.000 TYR 77 0.840 9.574 38.276 15.686 -99.200 -91.000 HIS 92 0.900 34.727 43.339 22.493 -99.200 -91.000 PHE 96 1.000 20.144 41.670 22.946 -99.200 -91.000 HIS 97 0.900 20.925 38.282 31.833 -99.200 -91.000 PHE 121 1.000 16.102 39.434 21.804 -99.200 -91.000 PHE 129 1.000 13.563 40.395 30.144 -99.200 -91.000 TYR 131 0.840 22.588 45.725 26.204 -99.200 -91.000 HIS 132 0.900 26.281 39.119 30.322 -99.200 -91.000 TRP 141 1.040 39.336 41.879 31.767 -99.200 -91.000 TRP6 141 1.020 40.257 41.880 29.590 -99.200 -91.000 HIS 142 0.900 35.462 40.907 26.733 -99.200 -91.000 HIS 160 0.900 -2.265 47.852 32.455 -99.200 -91.000 TYR 169 0.840 7.485 55.232 31.220 -99.200 -91.000 TYR 173 0.840 15.847 60.882 34.079 -99.200 -91.000 TYR 174 0.840 20.216 51.349 31.636 -99.200 -91.000 PHE 180 1.000 34.160 50.550 35.961 -99.200 -91.000 TYR 181 0.840 35.379 43.960 40.815 -99.200 -91.000 TYR 190 0.840 42.344 53.212 42.640 -99.200 -91.000 TYR 193 0.840 47.265 48.171 34.029 -99.200 -91.000 TYR 200 0.840 42.546 38.172 31.807 -99.200 -91.000 HIS 214 0.900 37.343 53.245 41.593 -99.200 -91.000 PHE 217 1.000 24.087 54.648 41.044 -99.200 -91.000 HIS 242 0.900 20.119 50.872 40.053 -99.200 -91.000 HIS 252 0.900 16.183 54.923 50.498 -99.200 -91.000 HIS 257 0.900 8.554 56.921 50.575 -99.200 -91.000 TYR 260 0.840 2.099 51.755 41.888 -99.200 -91.000 TRP 262 1.040 6.551 45.981 37.747 -99.200 -91.000 TRP6 262 1.020 6.188 48.307 37.402 -99.200 -91.000 PHE 267 1.000 7.890 45.982 32.927 -99.200 -91.000 TRP 278 1.040 14.213 49.694 43.952 -99.200 -91.000 TRP6 278 1.020 13.552 51.778 44.880 -99.200 -91.000 PHE 279 1.000 19.357 42.097 46.828 -99.200 -91.000 PHE 289 1.000 4.626 55.098 37.637 -99.200 -91.000 TYR 290 0.840 8.458 59.106 44.801 -99.200 -91.000 PHE 292 1.000 10.894 62.596 41.880 -99.200 -91.000 TYR 298 0.840 13.329 64.011 45.940 -99.200 -91.000 TYR 300 0.840 18.173 55.533 41.966 -99.200 -91.000 HIS 303 0.900 20.318 53.247 52.505 -99.200 -91.000 PHE 309 1.000 26.024 59.103 50.207 -99.200 -91.000 HIS 316 0.900 23.561 64.717 43.995 -99.200 -91.000 PHE 317 1.000 15.795 61.125 39.911 -99.200 -91.000 TRP 323 1.040 7.993 71.923 51.963 -99.200 -91.000 TRP6 323 1.020 9.702 70.305 51.706 -99.200 -91.000