============================================================================= 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 7 0.900 5.007 36.679 27.959 -99.200 -91.000 TYR 73 0.840 24.395 45.519 25.212 -99.200 -91.000 TYR 103 0.840 9.318 49.030 6.438 -99.200 -91.000