============================================================================= 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 10 1.000 173.456 18.223 14.108 -99.200 -91.000 PHE 62 1.000 164.921 25.360 14.896 -99.200 -91.000 PHE 64 1.000 162.867 20.540 10.534 -99.200 -91.000