============================================================================= 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 11.673 -0.810 22.733 -99.200 -91.000 PHE 14 1.000 6.017 6.593 24.999 -99.200 -91.000 PHE 19 1.000 2.413 1.293 11.220 -99.200 -91.000 PHE 40 1.000 -2.359 2.053 20.234 -99.200 -91.000 PHE 89 1.000 12.710 6.774 13.786 -99.200 -91.000 TYR 102 0.840 9.174 -13.156 14.313 -99.200 -91.000 TRP 111 1.040 12.949 9.226 22.619 -99.200 -91.000 TRP6 111 1.020 12.931 6.869 22.449 -99.200 -91.000