============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 16 1.000 30.432 15.005 22.438 -99.200 -91.000 PHE 23 1.000 18.309 13.237 22.675 -99.200 -91.000 TYR 24 0.840 11.480 12.424 29.279 -99.200 -91.000 PHE 25 1.000 13.146 17.838 22.904 -99.200 -91.000 PHE 39 1.000 20.537 34.620 22.869 -99.200 -91.000 TYR 50 0.840 17.436 16.427 30.823 -99.200 -91.000