============================================================================= 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. PHE 11 1.000 6.893 4.405 -6.919 -99.200 -91.000 TYR 27 0.840 10.885 19.573 -14.315 -99.200 -91.000