============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. TYR 17 0.840 0.106 28.803 27.450 -99.200 -91.000 HIS 18 0.900 0.662 38.410 23.711 -99.200 -91.000