============================================================================= 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. TYR 14 0.840 12.592 -23.901 55.661 -99.200 -91.000 TYR 19 0.840 8.665 -15.990 49.599 -99.200 -91.000