============================================================================= 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 7 1.000 33.678 22.833 35.084 -99.200 -91.000 PHE 15 1.000 27.849 13.937 31.153 -99.200 -91.000 PHE 16 1.000 22.310 18.892 25.758 -99.200 -91.000