============================================================================= 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 6 1.000 -19.944 -18.686 -10.735 -99.200 -91.000 PHE 9 1.000 -23.567 -10.490 -0.233 -99.200 -91.000 PHE 22 1.000 -28.809 -2.763 3.237 -99.200 -91.000 TYR 29 0.840 -18.833 3.671 4.981 -99.200 -91.000 TRP 31 1.040 -17.684 1.196 -5.193 -99.200 -91.000 TRP6 31 1.020 -19.503 1.996 -6.472 -99.200 -91.000 TYR 39 0.840 -11.256 -3.945 6.384 -99.200 -91.000 PHE 42 1.000 -20.487 -6.570 2.283 -99.200 -91.000 TYR 52 0.840 -27.420 8.229 5.839 -99.200 -91.000 PHE 63 1.000 -29.737 -2.471 12.246 -99.200 -91.000 TRP 70 1.040 -26.995 -8.567 3.930 -99.200 -91.000 TRP6 70 1.020 -26.891 -7.737 1.717 -99.200 -91.000 TYR 76 0.840 -30.805 -13.057 -9.335 -99.200 -91.000 TYR 81 0.840 -28.918 -24.873 -15.680 -99.200 -91.000 TYR 92 0.840 -11.237 -21.602 -6.792 -99.200 -91.000 HIS 105 0.900 -25.848 -14.112 2.908 -99.200 -91.000 TYR 114 0.840 -24.026 -27.411 -6.175 -99.200 -91.000 PHE 115 1.000 -19.849 -21.163 -4.844 -99.200 -91.000 PHE 119 1.000 -9.661 -17.779 -2.410 -99.200 -91.000 TYR 127 0.840 -14.783 -3.695 1.519 -99.200 -91.000 TYR 134 0.840 -11.468 -7.618 -9.280 -99.200 -91.000 TYR 136 0.840 -5.720 -12.724 -0.664 -99.200 -91.000 PHE 137 1.000 -9.950 -16.518 -7.640 -99.200 -91.000 PHE 147 1.000 -12.950 -17.125 -18.771 -99.200 -91.000 PHE 154 1.000 -18.897 -2.744 -8.431 -99.200 -91.000 PHE 168 1.000 -23.170 -7.227 -17.396 -99.200 -91.000 PHE 190 1.000 -24.929 -18.019 -11.910 -99.200 -91.000 TYR 194 0.840 -24.300 -27.098 -18.108 -99.200 -91.000 TRP 196 1.040 -18.703 -19.072 -23.066 -99.200 -91.000 TRP6 196 1.020 -17.173 -19.343 -21.278 -99.200 -91.000 TYR 200 0.840 -13.482 -20.720 -23.435 -99.200 -91.000