============================================================================= 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 -2.635 -3.574 -16.759 -99.200 -91.000 TYR 19 0.840 5.064 3.973 -16.263 -99.200 -91.000