============================================================================= 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. PHE 32 1.000 -6.050 -26.936 20.738 -99.200 -91.000 HIS 33 0.900 -2.806 -34.872 20.983 -99.200 -91.000 TRP 34 1.040 0.499 -27.935 21.286 -99.200 -91.000 TRP6 34 1.020 -0.060 -25.898 20.234 -99.200 -91.000 TRP 36 1.040 9.100 -29.404 17.313 -99.200 -91.000 TRP6 36 1.020 9.747 -27.161 16.949 -99.200 -91.000 TYR 47 0.840 4.505 -36.744 12.877 -99.200 -91.000 TYR 50 0.840 1.128 -37.608 18.896 -99.200 -91.000 TYR 52 0.840 -3.190 -34.487 25.182 -99.200 -91.000 TYR 53 0.840 -3.134 -30.895 28.338 -99.200 -91.000 TYR 59 0.840 9.618 -38.528 20.422 -99.200 -91.000 PHE 78 1.000 5.460 -27.289 20.290 -99.200 -91.000 TYR 92 0.840 14.541 -28.909 11.494 -99.200 -91.000 TYR 93 0.840 7.610 -24.661 7.886 -99.200 -91.000 PHE 98 1.000 -6.392 -30.979 11.261 -99.200 -91.000 TYR 101 0.840 -7.004 -39.863 22.718 -99.200 -91.000 HIS 102 0.900 -8.672 -44.650 16.722 -99.200 -91.000 TYR 103 0.840 -11.126 -42.382 24.719 -99.200 -91.000 PHE 108 1.000 -3.696 -36.220 17.747 -99.200 -91.000 PHE 113 1.000 0.830 -31.783 10.938 -99.200 -91.000 TRP 116 1.040 0.998 -25.433 9.273 -99.200 -91.000 TRP6 116 1.020 2.602 -26.975 8.493 -99.200 -91.000 PHE 135 1.000 38.219 -30.958 -12.058 -99.200 -91.000 TYR 158 0.840 31.369 -22.807 -5.460 -99.200 -91.000 PHE 159 1.000 30.624 -22.963 3.081 -99.200 -91.000 TRP 167 1.040 32.294 -18.710 -20.243 -99.200 -91.000 TRP6 167 1.020 33.381 -20.730 -20.781 -99.200 -91.000 HIS 177 0.900 21.430 -21.221 -18.537 -99.200 -91.000 PHE 179 1.000 22.642 -24.493 -16.792 -99.200 -91.000 TYR 189 0.840 26.875 -24.014 -1.682 -99.200 -91.000 TYR 207 0.840 34.563 -20.771 -27.676 -99.200 -91.000 HIS 213 0.900 35.103 -19.203 -3.295 -99.200 -91.000