============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. PHE 11 1.000 -18.985 73.805 33.751 -99.200 -91.000 PHE 36 1.000 -6.804 87.003 30.375 -99.200 -91.000 PHE 40 1.000 -8.260 84.978 35.313 -99.200 -91.000 PHE 77 1.000 -7.722 79.057 18.660 -99.200 -91.000