============================================================================= 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 2 0.840 129.410 92.820 -42.830 -99.200 -91.000 PHE 5 1.000 129.161 83.425 -44.854 -99.200 -91.000 PHE 10 1.000 125.176 83.890 -43.268 -99.200 -91.000 PHE 23 1.000 124.093 97.577 -24.506 -99.200 -91.000 TYR 39 0.840 140.768 96.663 -30.219 -99.200 -91.000