============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 3 rings ring int. center anis. iso. PHE 2 1.000 2.835 69.355 6.996 -99.200 -91.000 PHE 15 1.000 -4.438 47.301 1.076 -99.200 -91.000 TYR 31 0.840 6.574 47.858 14.776 -99.200 -91.000