============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 13 1.000 23.538 70.455 8.899 -99.200 -91.000 PHE 16 1.000 25.773 66.998 1.552 -99.200 -91.000 PHE 37 1.000 26.629 55.823 8.615 -99.200 -91.000 PHE 59 1.000 25.829 69.159 13.472 -99.200 -91.000 PHE 62 1.000 23.872 65.032 8.828 -99.200 -91.000 PHE 81 1.000 26.075 34.345 7.929 -99.200 -91.000 PHE 84 1.000 26.014 30.908 14.880 -99.200 -91.000 PHE 94 1.000 20.956 19.814 12.460 -99.200 -91.000 PHE 132 1.000 23.591 35.375 12.982 -99.200 -91.000