============================================================================= 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 50.187 31.274 5.455 -99.200 -91.000 HIS 18 0.900 48.008 28.268 8.941 -99.200 -91.000