============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 14 1.000 0.997 14.290 -16.851 -99.200 -91.000 TYR 35 0.840 3.059 34.005 -16.495 -99.200 -91.000 PHE 39 1.000 -0.671 35.172 -11.094 -99.200 -91.000 TRP 52 1.040 -1.322 11.698 -4.632 -99.200 -91.000 TRP6 52 1.020 1.037 11.888 -4.692 -99.200 -91.000 HIS 53 0.900 -3.872 9.056 -12.356 -99.200 -91.000 HIS 57 0.900 -6.791 6.341 -12.444 -99.200 -91.000 PHE 60 1.000 -2.170 4.389 -14.277 -99.200 -91.000 TRP 67 1.040 -4.334 8.737 -20.894 -99.200 -91.000 TRP6 67 1.020 -3.671 9.695 -22.941 -99.200 -91.000 HIS 70 0.900 -0.815 8.887 -16.389 -99.200 -91.000 PHE 80 1.000 3.345 19.505 -7.535 -99.200 -91.000 TYR 102 0.840 -9.200 13.438 -19.225 -99.200 -91.000 PHE 105 1.000 -12.019 24.413 -10.725 -99.200 -91.000 TYR 123 0.840 -4.626 36.050 -14.246 -99.200 -91.000 TYR 131 0.840 -5.301 14.911 -23.957 -99.200 -91.000 HIS 143 0.900 -17.350 25.054 -9.947 -99.200 -91.000 PHE 145 1.000 -13.751 30.522 -9.137 -99.200 -91.000 TYR 148 0.840 -8.108 37.109 -16.932 -99.200 -91.000 PHE 179 1.000 0.228 38.375 -16.422 -99.200 -91.000