============================================================================= 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 4 0.840 35.539 22.178 20.394 -99.200 -91.000 PHE 33 1.000 27.440 27.605 -20.967 -99.200 -91.000