============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. PHE 12 1.000 54.248 11.100 -5.782 -99.200 -91.000 TYR 28 0.840 66.048 5.422 5.202 -99.200 -91.000