============================================================================= 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. HIS 16 0.900 23.749 41.278 7.205 -99.200 -91.000 PHE 19 1.000 29.653 37.561 6.213 -99.200 -91.000 TYR 24 0.840 25.920 46.905 7.015 -99.200 -91.000