============================================================================= 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 14 0.840 25.784 32.099 44.800 -99.200 -91.000 TYR 47 0.840 26.696 24.598 45.036 -99.200 -91.000 PHE 52 1.000 18.435 18.880 41.684 -99.200 -91.000