============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. PHE 12 1.000 22.644 25.670 22.025 -99.200 -91.000 PHE 15 1.000 20.113 23.598 29.750 -99.200 -91.000 PHE 57 1.000 1.726 6.244 43.955 -99.200 -91.000 PHE 60 1.000 12.516 -1.447 36.679 -99.200 -91.000 PHE 63 1.000 13.869 4.751 35.980 -99.200 -91.000 PHE 66 1.000 12.297 9.672 30.645 -99.200 -91.000 PHE 81 1.000 24.056 14.443 37.183 -99.200 -91.000