============================================================================= 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. TYR 1 0.840 12.897 13.904 2.037 -99.200 -91.000 TYR 5 0.840 15.514 26.612 1.366 -99.200 -91.000 PHE 7 1.000 11.028 21.835 3.350 -99.200 -91.000