============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 14 1.000 -15.136 22.939 70.338 -99.200 -91.000 PHE 18 1.000 -9.371 28.532 82.395 -99.200 -91.000 PHE 24 1.000 -15.276 30.742 74.419 -99.200 -91.000 TYR 37 0.840 -9.015 18.507 78.372 -99.200 -91.000 TRP 41 1.040 -11.965 25.324 89.655 -99.200 -91.000 TRP6 41 1.020 -10.073 25.777 91.005 -99.200 -91.000 TYR 44 0.840 -22.752 22.752 93.576 -99.200 -91.000 TYR 49 0.840 -19.081 20.920 79.392 -99.200 -91.000 PHE 53 1.000 -22.394 20.939 76.042 -99.200 -91.000 HIS 72 0.900 -6.044 21.895 71.410 -99.200 -91.000 PHE 79 1.000 -8.104 34.969 80.332 -99.200 -91.000 PHE 84 1.000 -6.982 39.701 85.009 -99.200 -91.000 PHE 93 1.000 -1.379 39.135 84.082 -99.200 -91.000 PHE 101 1.000 -2.196 34.643 78.543 -99.200 -91.000 PHE 102 1.000 0.733 34.759 83.288 -99.200 -91.000 PHE 117 1.000 -13.615 32.798 70.103 -99.200 -91.000 PHE 124 1.000 -7.203 40.319 80.289 -99.200 -91.000 HIS 127 0.900 -5.544 44.850 85.922 -99.200 -91.000 TYR 145 0.840 -0.528 30.349 68.456 -99.200 -91.000 PHE 147 1.000 -3.825 39.650 71.691 -99.200 -91.000 HIS 148 0.900 -6.047 39.344 64.078 -99.200 -91.000 TYR 157 0.840 -21.605 42.085 67.354 -99.200 -91.000 TYR 167 0.840 -16.148 38.570 72.745 -99.200 -91.000 PHE 171 1.000 -7.039 33.541 62.921 -99.200 -91.000 PHE 180 1.000 -10.946 37.237 63.511 -99.200 -91.000 PHE 182 1.000 -12.124 41.026 66.879 -99.200 -91.000 PHE 186 1.000 -26.677 41.666 64.204 -99.200 -91.000 PHE 191 1.000 -35.432 46.531 71.630 -99.200 -91.000 HIS 204 0.900 -40.460 31.683 91.226 -99.200 -91.000 TYR 242 0.840 -30.926 48.657 85.355 -99.200 -91.000 TYR 254 0.840 -18.010 34.371 92.438 -99.200 -91.000 PHE 259 1.000 -34.994 44.036 92.520 -99.200 -91.000 TYR 265 0.840 -34.168 43.564 84.075 -99.200 -91.000 HIS 275 0.900 -37.172 30.757 85.626 -99.200 -91.000 TYR 285 0.840 -25.727 29.402 77.493 -99.200 -91.000 TYR 289 0.840 -26.922 24.793 78.767 -99.200 -91.000 HIS 292 0.900 -26.678 22.699 89.398 -99.200 -91.000 TYR 299 0.840 -30.999 33.553 89.505 -99.200 -91.000 PHE 302 1.000 -27.830 30.164 82.254 -99.200 -91.000 TYR 313 0.840 -23.809 36.936 64.761 -99.200 -91.000 TYR 316 0.840 -19.954 32.153 58.587 -99.200 -91.000 PHE 324 1.000 -9.432 34.239 50.401 -99.200 -91.000 TYR 327 0.840 -4.932 25.894 43.856 -99.200 -91.000