============================================================================= 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 21.804 3.606 -13.848 -99.200 -91.000 PHE 14 1.000 22.492 -4.216 -19.324 -99.200 -91.000 PHE 19 1.000 10.931 4.745 -24.060 -99.200 -91.000 PHE 40 1.000 19.865 1.400 -28.030 -99.200 -91.000 PHE 89 1.000 11.055 -1.212 -13.662 -99.200 -91.000 TYR 102 0.840 17.297 17.916 -16.836 -99.200 -91.000 TRP 111 1.040 19.019 -6.093 -12.732 -99.200 -91.000 TRP6 111 1.020 19.408 -3.765 -12.664 -99.200 -91.000