============================================================================= 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. PHE 28 1.000 61.798 -11.753 32.292 -99.200 -91.000 TYR 31 0.840 65.956 -16.324 31.877 -99.200 -91.000 TRP 35 1.040 55.968 -12.781 24.616 -99.200 -91.000 TRP6 35 1.020 54.286 -13.074 26.248 -99.200 -91.000 TRP 46 1.040 59.351 -17.432 18.386 -99.200 -91.000 TRP6 46 1.020 60.321 -15.758 17.021 -99.200 -91.000 TYR 59 0.840 58.714 -7.672 17.451 -99.200 -91.000 PHE 63 1.000 51.919 -13.803 14.625 -99.200 -91.000 TYR 79 0.840 54.873 -5.478 30.790 -99.200 -91.000 TYR 92 0.840 48.075 -14.761 22.110 -99.200 -91.000 TYR 93 0.840 50.803 -22.029 26.375 -99.200 -91.000 TRP 106 1.040 57.291 -24.320 27.058 -99.200 -91.000 TRP6 106 1.020 56.136 -23.669 25.099 -99.200 -91.000 PHE 125 1.000 22.092 -19.877 40.487 -99.200 -91.000 TYR 148 0.840 31.769 -19.599 32.186 -99.200 -91.000 PHE 149 1.000 31.869 -14.975 24.934 -99.200 -91.000 TRP 157 1.040 35.402 -27.107 45.430 -99.200 -91.000 TRP6 157 1.020 33.164 -26.912 46.188 -99.200 -91.000 HIS 167 0.900 35.904 -34.686 37.657 -99.200 -91.000 PHE 169 1.000 32.376 -33.534 36.097 -99.200 -91.000 TYR 179 0.840 32.114 -20.995 26.459 -99.200 -91.000 TYR 197 0.840 32.991 -29.592 52.890 -99.200 -91.000 HIS 203 0.900 34.119 -14.830 33.372 -99.200 -91.000