============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 4 1.000 -12.654 -23.193 20.520 -99.200 -91.000 TYR 10 0.840 -0.195 -23.522 15.052 -99.200 -91.000 TYR 21 0.840 -14.561 -25.373 5.695 -99.200 -91.000 PHE 22 1.000 -9.838 -18.545 9.391 -99.200 -91.000 TYR 23 0.840 -16.763 -16.783 13.944 -99.200 -91.000 PHE 33 1.000 -6.880 -23.354 9.060 -99.200 -91.000 TYR 35 0.840 -4.026 -29.232 10.793 -99.200 -91.000 PHE 45 1.000 -14.402 -25.533 14.402 -99.200 -91.000