============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 5 1.000 -4.908 -17.700 0.347 -99.200 -91.000 TYR 21 0.840 -1.780 -25.468 -1.773 -99.200 -91.000 TYR 24 0.840 4.047 -27.484 0.204 -99.200 -91.000 TYR 27 0.840 8.795 -18.243 4.730 -99.200 -91.000 TRP 30 1.040 1.081 -21.216 12.455 -99.200 -91.000 TRP6 30 1.020 2.654 -20.936 14.190 -99.200 -91.000 PHE 45 1.000 9.695 -14.575 1.660 -99.200 -91.000 HIS 47 0.900 -1.412 -15.043 1.065 -99.200 -91.000 TYR 51 0.840 -2.872 -12.102 3.801 -99.200 -91.000 TYR 64 0.840 -10.978 -11.675 -0.822 -99.200 -91.000 TYR 66 0.840 -13.149 -14.988 -5.627 -99.200 -91.000 PHE 96 1.000 -0.827 -21.542 -2.668 -99.200 -91.000 TYR 103 0.840 1.166 -29.843 -2.679 -99.200 -91.000 TYR 107 0.840 9.336 -29.737 0.571 -99.200 -91.000 TYR 110 0.840 10.177 -28.642 6.045 -99.200 -91.000 PHE 113 1.000 14.190 -30.028 13.156 -99.200 -91.000