============================================================================= 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 26 0.840 77.327 13.760 77.489 -99.200 -91.000 TYR 33 0.840 89.082 9.314 78.522 -99.200 -91.000