============================================================================= 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 23.413 14.173 21.346 -99.200 -91.000 PHE 15 1.000 -2.892 9.208 17.712 -99.200 -91.000 TYR 31 0.840 3.101 6.268 33.222 -99.200 -91.000