============================================================================= 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. TYR 13 0.840 -21.530 24.003 15.291 -99.200 -91.000 TYR 16 0.840 -27.062 21.209 29.313 -99.200 -91.000 TYR 24 0.840 -37.701 17.519 34.039 -99.200 -91.000 PHE 29 1.000 -30.135 18.448 25.163 -99.200 -91.000 TYR 32 0.840 -26.688 24.679 11.408 -99.200 -91.000 PHE 46 1.000 -35.793 11.908 11.783 -99.200 -91.000 TYR 48 0.840 -36.102 15.231 16.834 -99.200 -91.000 TYR 58 0.840 -17.091 17.123 18.371 -99.200 -91.000 TRP 67 1.040 -13.241 3.807 15.543 -99.200 -91.000 TRP6 67 1.020 -12.795 5.954 14.647 -99.200 -91.000 HIS 77 0.900 -25.776 -0.856 14.730 -99.200 -91.000 TYR 90 0.840 -8.001 8.988 5.166 -99.200 -91.000 PHE 98 1.000 -18.802 11.313 8.826 -99.200 -91.000 PHE 102 1.000 -24.215 19.650 9.567 -99.200 -91.000 TYR 111 0.840 -3.166 40.055 13.993 -99.200 -91.000 TYR 131 0.840 2.761 31.925 13.595 -99.200 -91.000 PHE 142 1.000 -3.624 21.807 7.636 -99.200 -91.000 PHE 143 1.000 -1.176 25.408 10.851 -99.200 -91.000 TYR 151 0.840 -0.157 25.899 5.261 -99.200 -91.000 TRP 155 1.040 4.402 21.179 14.328 -99.200 -91.000 TRP6 155 1.020 2.837 21.397 16.099 -99.200 -91.000 PHE 157 1.000 6.203 31.832 16.345 -99.200 -91.000 TYR 182 0.840 -2.147 33.579 20.027 -99.200 -91.000 TYR 193 0.840 -21.068 31.741 18.144 -99.200 -91.000 TYR 213 0.840 -18.136 21.422 11.135 -99.200 -91.000 TYR 223 0.840 -34.053 6.167 9.515 -99.200 -91.000 HIS 241 0.900 -27.458 32.750 3.805 -99.200 -91.000 TRP 247 1.040 -29.289 28.571 15.576 -99.200 -91.000 TRP6 247 1.020 -29.898 28.713 17.861 -99.200 -91.000 TRP 248 1.040 -21.630 30.744 12.834 -99.200 -91.000 TRP6 248 1.020 -22.707 28.665 13.218 -99.200 -91.000