============================================================================= 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 4 1.000 12.259 93.970 13.176 -99.200 -91.000 TYR 10 0.840 18.759 82.449 17.555 -99.200 -91.000 TYR 21 0.840 8.798 82.760 3.203 -99.200 -91.000 PHE 22 1.000 17.183 85.002 5.630 -99.200 -91.000 TYR 23 0.840 15.075 92.837 3.392 -99.200 -91.000 PHE 33 1.000 14.808 81.707 9.431 -99.200 -91.000 PHE 45 1.000 9.223 89.057 9.143 -99.200 -91.000