============================================================================= 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 7 1.000 5.916 -12.144 43.839 -99.200 -91.000 PHE 10 1.000 7.342 -12.230 28.298 -99.200 -91.000