============================================================================= 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 18.806 -21.334 -20.636 -99.200 -91.000 TYR 27 0.840 6.407 -30.230 -29.588 -99.200 -91.000