============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 -15.888 28.634 0.350 -99.200 -91.000 PHE 8 1.000 -18.064 21.299 -11.228 -99.200 -91.000 PHE 21 1.000 -23.529 14.969 -16.831 -99.200 -91.000 TYR 28 0.840 -19.026 6.254 -15.382 -99.200 -91.000 TRP 30 1.040 -16.576 8.785 -5.658 -99.200 -91.000 TRP6 30 1.020 -18.841 8.546 -4.995 -99.200 -91.000 TYR 38 0.840 -5.929 12.294 -14.299 -99.200 -91.000 PHE 41 1.000 -15.136 17.097 -13.074 -99.200 -91.000 TYR 51 0.840 -23.640 3.858 -19.656 -99.200 -91.000 PHE 62 1.000 -21.770 15.130 -25.739 -99.200 -91.000 TRP 69 1.040 -20.414 20.129 -16.337 -99.200 -91.000 TRP6 69 1.020 -21.093 19.211 -14.258 -99.200 -91.000 TYR 75 0.840 -27.003 25.553 -4.485 -99.200 -91.000 TYR 80 0.840 -24.322 36.916 2.782 -99.200 -91.000 TYR 91 0.840 -6.168 29.698 -0.682 -99.200 -91.000 HIS 104 0.900 -18.473 25.309 -14.518 -99.200 -91.000 TYR 113 0.840 -16.671 37.899 -4.580 -99.200 -91.000 PHE 114 1.000 -13.440 31.030 -5.080 -99.200 -91.000 PHE 118 1.000 -4.124 25.143 -4.224 -99.200 -91.000 TYR 126 0.840 -10.795 12.882 -10.859 -99.200 -91.000 TYR 133 0.840 -10.200 15.819 0.843 -99.200 -91.000 TYR 135 0.840 -1.881 19.793 -5.068 -99.200 -91.000 PHE 136 1.000 -6.359 24.152 0.439 -99.200 -91.000 PHE 146 1.000 -12.317 25.415 10.149 -99.200 -91.000 PHE 153 1.000 -17.973 13.012 -2.672 -99.200 -91.000 PHE 167 1.000 -23.589 18.445 5.148 -99.200 -91.000 PHE 189 1.000 -21.062 29.179 -0.037 -99.200 -91.000 TYR 193 0.840 -20.334 37.878 6.866 -99.200 -91.000 TRP 195 1.040 -19.033 28.608 12.809 -99.200 -91.000 TRP6 195 1.020 -16.804 28.369 12.039 -99.200 -91.000 TYR 199 0.840 -13.324 29.021 14.821 -99.200 -91.000