============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 16 0.840 -5.121 0.737 24.405 -99.200 -91.000 TRP 25 1.040 -9.027 14.628 25.979 -99.200 -91.000 TRP6 25 1.020 -9.746 16.396 27.361 -99.200 -91.000 PHE 32 1.000 -6.937 5.118 26.691 -99.200 -91.000 PHE 36 1.000 -6.661 -0.156 34.801 -99.200 -91.000 PHE 40 1.000 -8.441 -4.418 38.770 -99.200 -91.000 TYR 43 0.840 -8.613 -10.485 35.822 -99.200 -91.000 HIS 48 0.900 -20.139 -0.181 42.433 -99.200 -91.000 HIS 60 0.900 -5.848 8.621 53.827 -99.200 -91.000 TYR 81 0.840 5.536 -1.097 50.761 -99.200 -91.000 TYR 90 0.840 -0.942 7.530 55.324 -99.200 -91.000 PHE 105 1.000 6.501 -16.618 53.036 -99.200 -91.000 HIS 127 0.900 -5.814 -11.385 49.727 -99.200 -91.000 TYR 129 0.840 5.908 -12.106 49.667 -99.200 -91.000 HIS 145 0.900 -15.943 -11.198 67.403 -99.200 -91.000 TYR 161 0.840 -10.290 -18.758 50.101 -99.200 -91.000 PHE 175 1.000 -6.848 -5.915 43.285 -99.200 -91.000 PHE 177 1.000 -3.617 -1.449 39.146 -99.200 -91.000 PHE 178 1.000 7.039 0.832 41.913 -99.200 -91.000 TYR 216 0.840 -13.630 25.759 41.000 -99.200 -91.000 TRP 217 1.040 -21.513 23.304 48.027 -99.200 -91.000 TRP6 217 1.020 -21.523 25.444 49.000 -99.200 -91.000 PHE 218 1.000 -14.273 21.683 46.503 -99.200 -91.000 PHE 223 1.000 -8.493 11.936 51.655 -99.200 -91.000 TYR 225 0.840 -5.430 10.124 48.455 -99.200 -91.000 HIS 245 0.900 1.359 -9.008 30.396 -99.200 -91.000 TRP 255 1.040 11.291 -23.217 33.121 -99.200 -91.000 TRP6 255 1.020 11.017 -21.199 31.930 -99.200 -91.000 TYR 256 0.840 12.501 -19.178 40.478 -99.200 -91.000 HIS 271 0.900 1.647 -25.272 51.514 -99.200 -91.000 HIS 278 0.900 1.201 -18.030 45.360 -99.200 -91.000 PHE 280 1.000 4.006 -19.129 43.272 -99.200 -91.000 TRP 281 1.040 4.805 -8.827 42.589 -99.200 -91.000 TRP6 281 1.020 5.881 -8.268 44.620 -99.200 -91.000 TYR 283 0.840 9.314 -20.339 43.686 -99.200 -91.000 PHE 313 1.000 6.819 -6.843 52.246 -99.200 -91.000 HIS 314 0.900 14.068 -5.482 57.648 -99.200 -91.000 HIS 317 0.900 6.952 -7.353 65.659 -99.200 -91.000 TYR 322 0.840 3.337 1.661 62.105 -99.200 -91.000 HIS 324 0.900 3.530 2.790 68.411 -99.200 -91.000 HIS 346 0.900 11.619 -10.192 35.173 -99.200 -91.000