============================================================================= 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 8 1.000 -2.856 9.350 17.956 -99.200 -91.000 TYR 24 0.840 3.361 6.274 33.596 -99.200 -91.000