============================================================================= 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 18 0.840 14.476 20.037 50.511 -99.200 -91.000 TYR 56 0.840 3.278 3.113 97.626 -99.200 -91.000