============================================================================= 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 2 1.000 -26.881 -17.542 20.060 -99.200 -91.000 PHE 6 1.000 -28.589 -4.783 20.389 -99.200 -91.000 TYR 7 0.840 -26.488 -12.959 21.270 -99.200 -91.000 HIS 11 0.900 -13.187 -14.015 10.256 -99.200 -91.000 HIS 17 0.900 -4.695 -15.944 22.025 -99.200 -91.000 TYR 27 0.840 -16.282 -6.834 17.190 -99.200 -91.000 TRP 51 1.040 -24.950 -8.093 13.557 -99.200 -91.000 TRP6 51 1.020 -25.850 -7.623 11.402 -99.200 -91.000 TRP 52 1.040 -33.968 -9.232 18.507 -99.200 -91.000 TRP6 52 1.020 -33.593 -8.773 20.806 -99.200 -91.000 TYR 64 0.840 -31.288 -19.622 17.231 -99.200 -91.000 PHE 69 1.000 -29.966 -0.434 17.533 -99.200 -91.000 TRP 79 1.040 -26.149 -11.515 9.158 -99.200 -91.000 TRP6 79 1.020 -24.251 -12.904 9.576 -99.200 -91.000 TYR 91 0.840 -26.368 -10.354 -1.795 -99.200 -91.000 TYR 93 0.840 -31.271 -9.519 -0.431 -99.200 -91.000 TYR 103 0.840 -30.574 -14.619 -2.325 -99.200 -91.000 TRP 107 1.040 -28.878 -16.909 8.720 -99.200 -91.000 TRP6 107 1.020 -27.121 -17.204 7.183 -99.200 -91.000 HIS 114 0.900 -17.381 -26.106 23.402 -99.200 -91.000 TYR 120 0.840 -22.257 -19.831 20.109 -99.200 -91.000 HIS 121 0.900 -17.976 -24.036 13.776 -99.200 -91.000 TRP 133 1.040 -18.766 -24.830 7.405 -99.200 -91.000 TRP6 133 1.020 -19.694 -25.803 9.354 -99.200 -91.000 TYR 140 0.840 -16.398 -6.128 -6.055 -99.200 -91.000 TYR 146 0.840 -16.509 -16.315 1.894 -99.200 -91.000 TYR 157 0.840 -10.269 -21.746 11.955 -99.200 -91.000 TRP 161 1.040 -18.681 -16.033 12.189 -99.200 -91.000 TRP6 161 1.020 -18.253 -13.989 11.079 -99.200 -91.000 PHE 162 1.000 -15.782 -14.228 22.326 -99.200 -91.000 TYR 166 0.840 -27.237 -4.140 26.360 -99.200 -91.000