============================================================================= 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. PHE 1 1.000 -33.097 -11.790 11.430 -99.200 -91.000 TYR 7 0.840 -31.961 -19.226 8.250 -99.200 -91.000 PHE 25 1.000 -23.350 -9.659 -10.211 -99.200 -91.000 TYR 27 0.840 -26.078 -8.849 -18.702 -99.200 -91.000 PHE 31 1.000 -37.438 -7.422 -7.690 -99.200 -91.000 TYR 33 0.840 -29.567 -0.425 -12.010 -99.200 -91.000 TYR 35 0.840 -33.467 -6.559 -3.054 -99.200 -91.000 PHE 53 1.000 -20.219 -8.068 -2.359 -99.200 -91.000 PHE 56 1.000 -19.502 -17.805 -6.306 -99.200 -91.000 HIS 57 0.900 -22.837 -12.170 -14.510 -99.200 -91.000 TYR 64 0.840 -24.216 -9.437 -25.866 -99.200 -91.000 PHE 72 1.000 -19.989 -7.927 -14.204 -99.200 -91.000 PHE 87 1.000 -19.478 -3.459 -1.796 -99.200 -91.000 PHE 93 1.000 -17.932 -6.445 -9.533 -99.200 -91.000 PHE 98 1.000 -23.727 0.127 -9.192 -99.200 -91.000 TYR 100 0.840 -21.202 -4.753 -18.957 -99.200 -91.000 TYR 101 0.840 -26.610 -4.186 -11.873 -99.200 -91.000 TYR 104 0.840 -30.879 -6.177 -19.715 -99.200 -91.000 HIS 105 0.900 -31.673 -4.190 -15.575 -99.200 -91.000 TRP 111 1.040 -24.173 -3.617 -25.477 -99.200 -91.000 TRP6 111 1.020 -25.364 -4.171 -23.508 -99.200 -91.000 PHE 120 1.000 -22.314 -7.363 -22.041 -99.200 -91.000 PHE 135 1.000 -12.182 -9.115 -21.415 -99.200 -91.000 TRP 151 1.040 -17.898 -16.165 -9.947 -99.200 -91.000 TRP6 151 1.020 -17.518 -14.201 -11.205 -99.200 -91.000 TYR 155 0.840 -28.703 -23.764 -14.550 -99.200 -91.000 TYR 166 0.840 -27.761 -10.003 -1.422 -99.200 -91.000 TYR 172 0.840 -26.249 -21.547 7.613 -99.200 -91.000 TYR 175 0.840 -36.380 -18.574 1.239 -99.200 -91.000