============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 5 1.000 -26.188 -10.381 -23.360 -99.200 -91.000 PHE 12 1.000 -27.576 -19.543 -21.289 -99.200 -91.000 HIS 19 0.900 -31.593 -20.193 -21.784 -99.200 -91.000 TYR 27 0.840 -30.118 -14.293 -22.237 -99.200 -91.000 PHE 29 1.000 -25.480 -20.417 -15.983 -99.200 -91.000 HIS 34 0.900 -24.122 -25.132 -4.680 -99.200 -91.000 TYR 42 0.840 -25.313 -3.961 -16.335 -99.200 -91.000 HIS 43 0.900 -24.187 1.578 -19.785 -99.200 -91.000 TRP 46 1.040 -18.618 -2.002 -21.071 -99.200 -91.000 TRP6 46 1.020 -16.376 -2.588 -20.833 -99.200 -91.000 PHE 50 1.000 -25.174 -10.852 -8.881 -99.200 -91.000 PHE 64 1.000 -3.390 -6.000 -11.438 -99.200 -91.000 HIS 67 0.900 -9.889 -16.635 -11.561 -99.200 -91.000 TRP 68 1.040 -5.180 -12.474 -16.778 -99.200 -91.000 TRP6 68 1.020 -4.798 -10.144 -16.488 -99.200 -91.000 HIS 71 0.900 -13.340 -15.406 -12.152 -99.200 -91.000 TRP 83 1.040 -18.248 -7.518 -9.297 -99.200 -91.000 TRP6 83 1.020 -16.765 -6.349 -10.776 -99.200 -91.000 TRP 98 1.040 -15.614 -14.336 -18.103 -99.200 -91.000 TRP6 98 1.020 -17.173 -12.796 -19.067 -99.200 -91.000 PHE 102 1.000 -18.618 -15.426 -12.177 -99.200 -91.000