============================================================================= 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 7.608 35.268 18.575 -99.200 -91.000 TYR 47 0.840 7.382 28.278 16.956 -99.200 -91.000 PHE 52 1.000 14.973 22.013 19.051 -99.200 -91.000