============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 7 0.900 40.432 -24.505 -23.962 -99.200 -91.000 PHE 18 1.000 20.428 -20.062 -14.359 -99.200 -91.000 HIS 22 0.900 36.715 -18.334 -9.735 -99.200 -91.000 TRP 23 1.040 35.718 -19.354 -16.875 -99.200 -91.000 TRP6 23 1.020 35.029 -21.566 -17.347 -99.200 -91.000 HIS 25 0.900 44.798 -15.764 -16.662 -99.200 -91.000 PHE 31 1.000 45.174 -20.409 -26.173 -99.200 -91.000 TYR 38 0.840 39.245 -14.962 -16.777 -99.200 -91.000 PHE 42 1.000 32.274 -9.526 -16.923 -99.200 -91.000 TYR 51 0.840 35.876 -12.096 -31.430 -99.200 -91.000 PHE 52 1.000 32.495 -22.334 -32.700 -99.200 -91.000 TYR 54 0.840 35.927 -23.333 -27.265 -99.200 -91.000 PHE 59 1.000 25.979 -28.198 -15.164 -99.200 -91.000 TYR 78 0.840 21.522 -3.179 -26.340 -99.200 -91.000 TRP 98 1.040 23.097 -36.422 -10.996 -99.200 -91.000 TRP6 98 1.020 23.747 -34.480 -12.176 -99.200 -91.000 PHE 99 1.000 30.064 -39.640 -14.173 -99.200 -91.000 TYR 103 0.840 31.154 -28.065 -27.203 -99.200 -91.000 PHE 108 1.000 26.431 -16.385 -30.502 -99.200 -91.000 TYR 128 0.840 36.071 -28.650 -7.529 -99.200 -91.000 PHE 135 1.000 35.893 -27.753 -22.921 -99.200 -91.000 PHE 136 1.000 33.792 -18.293 -21.739 -99.200 -91.000 PHE 139 1.000 37.737 -20.482 -32.753 -99.200 -91.000