============================================================================= 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 15.162 17.797 -2.703 -99.200 -91.000 TYR 19 0.840 2.311 19.593 -6.940 -99.200 -91.000