============================================================================= 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 2 0.840 10.019 20.185 69.624 -99.200 -91.000 TYR 30 0.840 -4.601 17.451 73.337 -99.200 -91.000