============================================================================= 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. PHE 12 1.000 83.314 41.448 30.824 -99.200 -91.000 TYR 28 0.840 84.672 41.017 13.224 -99.200 -91.000