============================================================================= 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 4 0.840 6.470 7.760 64.212 -99.200 -91.000 HIS 9 0.900 13.774 -2.015 61.576 -99.200 -91.000