============================================================================= 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 7 1.000 -2.778 9.230 17.692 -99.200 -91.000 TYR 23 0.840 3.298 6.524 33.470 -99.200 -91.000