============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 23 0.840 -13.012 22.274 -3.081 -99.200 -91.000 PHE 32 1.000 -0.571 33.388 -14.032 -99.200 -91.000 TYR 45 0.840 16.677 45.480 -16.056 -99.200 -91.000 TYR 50 0.840 14.026 33.498 -12.446 -99.200 -91.000 PHE 51 1.000 9.370 34.341 -13.921 -99.200 -91.000 TYR 58 0.840 12.317 23.437 -13.947 -99.200 -91.000 HIS 62 0.900 6.478 17.873 -20.530 -99.200 -91.000 PHE 74 1.000 6.222 30.905 -30.630 -99.200 -91.000 HIS 95 0.900 -2.417 18.340 -39.264 -99.200 -91.000 TYR 96 0.840 -0.062 9.917 -39.867 -99.200 -91.000 HIS 103 0.900 -7.838 21.324 -32.550 -99.200 -91.000 TYR 117 0.840 -3.979 21.576 -44.007 -99.200 -91.000 PHE 118 1.000 -3.559 14.891 -48.384 -99.200 -91.000 PHE 153 1.000 5.028 10.555 -33.996 -99.200 -91.000 PHE 168 1.000 5.496 22.610 -35.680 -99.200 -91.000 PHE 181 1.000 -2.508 5.333 -25.040 -99.200 -91.000 TYR 220 0.840 11.143 34.114 -28.761 -99.200 -91.000 PHE 226 1.000 4.032 39.855 -37.863 -99.200 -91.000 TYR 239 0.840 10.004 28.245 -12.819 -99.200 -91.000 PHE 245 1.000 4.012 16.384 -16.824 -99.200 -91.000 PHE 254 1.000 -6.316 9.882 -17.899 -99.200 -91.000 PHE 260 1.000 -15.903 9.463 -7.564 -99.200 -91.000 TYR 283 0.840 -24.104 6.349 -12.714 -99.200 -91.000 PHE 290 1.000 -18.568 11.585 -11.202 -99.200 -91.000 TYR 296 0.840 -38.711 15.437 -14.060 -99.200 -91.000 PHE 311 1.000 -26.461 28.959 -10.900 -99.200 -91.000 TYR 317 0.840 -22.129 19.953 -0.661 -99.200 -91.000 TYR 350 0.840 -16.291 18.728 -0.459 -99.200 -91.000 PHE 363 1.000 -34.904 16.140 -9.389 -99.200 -91.000