============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 8 0.840 -4.287 12.662 -1.458 -99.200 -91.000 PHE 11 1.000 -2.347 12.080 -10.926 -99.200 -91.000 TYR 14 0.840 -4.856 11.816 -15.276 -99.200 -91.000 TRP 20 1.040 -11.589 -6.408 -29.075 -99.200 -91.000 TRP6 20 1.020 -12.115 -4.642 -30.576 -99.200 -91.000 PHE 24 1.000 -15.593 -7.306 -19.135 -99.200 -91.000 HIS 29 0.900 -19.000 -18.216 -22.870 -99.200 -91.000 PHE 51 1.000 -18.147 -5.026 -31.120 -99.200 -91.000 HIS 55 0.900 -11.545 -1.546 -16.504 -99.200 -91.000 TRP 58 1.040 -8.100 2.771 -13.986 -99.200 -91.000 TRP6 58 1.020 -7.337 0.704 -14.869 -99.200 -91.000 TRP 75 1.040 -2.376 4.406 -7.066 -99.200 -91.000 TRP6 75 1.020 -3.634 5.916 -5.746 -99.200 -91.000 PHE 78 1.000 -6.730 -2.502 -0.896 -99.200 -91.000 TYR 128 0.840 -14.684 -0.856 -8.991 -99.200 -91.000 TYR 130 0.840 -15.751 10.761 -8.856 -99.200 -91.000 HIS 133 0.900 -8.982 3.565 -10.553 -99.200 -91.000 PHE 137 1.000 -6.244 11.089 -7.491 -99.200 -91.000 PHE 139 1.000 -9.075 13.395 -11.047 -99.200 -91.000 TYR 144 0.840 -12.338 10.138 -13.530 -99.200 -91.000 PHE 145 1.000 -17.212 9.019 -14.786 -99.200 -91.000 PHE 163 1.000 -3.626 -3.689 -36.612 -99.200 -91.000 TYR 168 0.840 -15.427 -7.804 -35.328 -99.200 -91.000 PHE 177 1.000 -2.165 -1.970 -30.971 -99.200 -91.000 PHE 181 1.000 -0.214 4.254 -29.654 -99.200 -91.000 TRP 185 1.040 -2.171 7.727 -31.221 -99.200 -91.000 TRP6 185 1.020 -3.153 9.841 -31.053 -99.200 -91.000 TYR 203 0.840 -10.241 -14.126 -25.636 -99.200 -91.000 PHE 225 1.000 0.116 8.926 -26.625 -99.200 -91.000 HIS 230 0.900 6.091 -3.183 -16.331 -99.200 -91.000 PHE 238 1.000 -2.852 -8.889 -30.088 -99.200 -91.000 TYR 245 0.840 -20.239 -14.837 -24.629 -99.200 -91.000