============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. PHE 1 1.000 44.979 -16.424 0.880 -99.200 -91.000 PHE 6 1.000 47.722 -9.930 -3.618 -99.200 -91.000 PHE 19 1.000 67.811 -2.620 4.901 -99.200 -91.000 PHE 33 1.000 64.557 -12.228 13.797 -99.200 -91.000 TYR 36 0.840 59.725 -12.820 16.706 -99.200 -91.000