============================================================================= 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 3.404 27.243 1.908 -99.200 -91.000 TYR 5 0.840 1.300 13.085 0.138 -99.200 -91.000 PHE 7 1.000 5.666 19.443 3.270 -99.200 -91.000