============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. PHE 10 1.000 -7.072 -10.939 -21.886 -99.200 -91.000 PHE 14 1.000 -7.375 -8.896 -11.472 -99.200 -91.000 PHE 17 1.000 -6.888 -17.936 -9.244 -99.200 -91.000 PHE 63 1.000 -9.631 -6.284 -15.544 -99.200 -91.000 PHE 66 1.000 -4.592 -9.711 -15.965 -99.200 -91.000