============================================================================= 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. TYR 3 0.840 4.036 -40.659 38.630 -99.200 -91.000 PHE 6 1.000 -1.401 -48.610 38.899 -99.200 -91.000 PHE 11 1.000 -4.881 -41.701 34.629 -99.200 -91.000 PHE 24 1.000 2.495 -21.995 43.716 -99.200 -91.000 TYR 40 0.840 6.382 -35.456 54.614 -99.200 -91.000