============================================================================= 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 8 1.000 -2.804 9.255 17.904 -99.200 -91.000 TYR 24 0.840 3.425 6.120 33.375 -99.200 -91.000