============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 12 0.840 1.480 18.304 12.944 -99.200 -91.000 TRP 18 1.040 11.531 27.396 33.330 -99.200 -91.000 TRP6 18 1.020 11.783 27.237 35.668 -99.200 -91.000 TYR 38 0.840 -6.318 16.209 11.003 -99.200 -91.000 PHE 41 1.000 -16.170 13.761 17.466 -99.200 -91.000 PHE 65 1.000 -9.738 18.858 8.069 -99.200 -91.000 PHE 75 1.000 -23.390 29.079 9.047 -99.200 -91.000 HIS 86 0.900 -11.783 25.403 -0.148 -99.200 -91.000 TRP 87 1.040 -12.646 22.930 6.726 -99.200 -91.000 TRP6 87 1.020 -13.522 24.768 7.918 -99.200 -91.000 PHE 89 1.000 -14.883 20.028 9.575 -99.200 -91.000 TYR 105 0.840 -18.656 10.440 20.174 -99.200 -91.000 PHE 112 1.000 -18.915 17.167 19.495 -99.200 -91.000 HIS 113 0.900 -21.366 25.936 20.618 -99.200 -91.000 TYR 132 0.840 8.060 14.699 30.050 -99.200 -91.000 TYR 147 0.840 -4.646 36.303 12.667 -99.200 -91.000 PHE 148 1.000 -7.385 33.349 16.994 -99.200 -91.000 TYR 181 0.840 14.805 31.472 19.444 -99.200 -91.000 PHE 196 1.000 9.302 33.803 7.091 -99.200 -91.000 PHE 203 1.000 4.579 34.189 5.626 -99.200 -91.000 PHE 215 1.000 8.059 40.326 25.059 -99.200 -91.000 HIS 225 0.900 -7.576 30.593 3.783 -99.200 -91.000 PHE 231 1.000 4.701 25.585 1.422 -99.200 -91.000 PHE 238 1.000 5.997 15.978 -10.602 -99.200 -91.000 PHE 243 1.000 -1.175 5.994 -11.215 -99.200 -91.000 TYR 287 0.840 -7.414 4.819 -9.721 -99.200 -91.000 TYR 292 0.840 3.518 7.504 -8.590 -99.200 -91.000 PHE 301 1.000 8.838 21.323 -1.544 -99.200 -91.000 TYR 308 0.840 1.510 28.080 -2.784 -99.200 -91.000 PHE 309 1.000 8.980 27.398 -1.213 -99.200 -91.000 HIS 330 0.900 17.454 46.242 18.219 -99.200 -91.000 PHE 351 1.000 13.429 41.834 3.392 -99.200 -91.000 PHE 352 1.000 15.205 40.944 8.120 -99.200 -91.000 TYR 369 0.840 12.500 27.095 25.081 -99.200 -91.000