============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 6 1.000 -3.222 -11.277 10.831 -99.200 -91.000 PHE 14 1.000 4.213 -12.823 5.151 -99.200 -91.000 PHE 19 1.000 8.910 -6.290 18.364 -99.200 -91.000 PHE 40 1.000 10.368 -15.362 13.397 -99.200 -91.000 PHE 89 1.000 1.926 -0.783 9.960 -99.200 -91.000 TYR 102 0.840 -4.714 -11.289 25.763 -99.200 -91.000 TRP 111 1.040 0.413 -6.580 2.747 -99.200 -91.000 TRP6 111 1.020 -0.709 -7.416 4.661 -99.200 -91.000