============================================================================= 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 21 0.840 -9.595 13.908 64.708 -99.200 -91.000 TYR 39 0.840 -2.237 32.525 83.309 -99.200 -91.000