============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 3 rings ring int. center anis. iso. PHE 2 1.000 66.555 11.746 33.974 -99.200 -91.000 PHE 10 1.000 67.517 5.989 22.401 -99.200 -91.000 TYR 15 0.840 58.223 9.272 14.220 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs =============================================================================