============================================================================= 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 13.316 17.236 1.578 -99.200 -91.000 PHE 19 1.000 12.446 10.650 8.817 -99.200 -91.000 TYR 24 0.840 19.530 20.164 2.143 -99.200 -91.000