============================================================================= 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 4.530 21.906 -3.862 -99.200 -91.000 TYR 19 0.840 -7.742 17.220 -8.144 -99.200 -91.000