============================================================================= 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 29.041 28.269 12.313 -99.200 -91.000 TYR 5 0.840 23.500 20.835 2.994 -99.200 -91.000 PHE 7 1.000 25.312 20.999 9.850 -99.200 -91.000