============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 6 1.000 -22.575 34.051 -14.471 -99.200 -91.000 PHE 21 1.000 -28.939 23.887 -31.017 -99.200 -91.000 PHE 36 1.000 -20.753 19.278 -18.523 -99.200 -91.000 PHE 38 1.000 -27.213 11.015 -15.433 -99.200 -91.000 TYR 47 0.840 -27.978 25.590 -24.740 -99.200 -91.000 PHE 64 1.000 -11.759 27.860 -24.429 -99.200 -91.000 HIS 75 0.900 -15.600 43.198 -20.868 -99.200 -91.000 HIS 96 0.900 -9.376 23.094 -29.172 -99.200 -91.000 PHE 99 1.000 -13.005 15.061 -26.608 -99.200 -91.000 TYR 107 0.840 -20.801 17.313 -23.445 -99.200 -91.000 PHE 113 1.000 -14.536 26.089 -19.922 -99.200 -91.000 PHE 121 1.000 -20.152 24.309 -16.033 -99.200 -91.000 TRP 123 1.040 -23.252 26.356 -20.876 -99.200 -91.000 TRP6 123 1.020 -21.009 26.659 -21.576 -99.200 -91.000