============================================================================= 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 -2.208 33.726 27.097 -99.200 -91.000 PHE 19 1.000 4.094 27.577 31.467 -99.200 -91.000 TYR 24 0.840 -7.793 30.638 26.497 -99.200 -91.000