============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TYR 27 0.840 12.239 -7.619 18.763 -99.200 -91.000 PHE 29 1.000 8.862 -13.292 16.829 -99.200 -91.000 TYR 32 0.840 9.764 -6.165 24.012 -99.200 -91.000 TRP 33 1.040 1.315 -6.570 22.199 -99.200 -91.000 TRP6 33 1.020 -0.591 -7.801 21.536 -99.200 -91.000 TRP 36 1.040 2.231 -8.157 10.252 -99.200 -91.000 TRP6 36 1.020 3.699 -8.463 8.420 -99.200 -91.000 TRP 47 1.040 -2.963 -1.993 13.933 -99.200 -91.000 TRP6 47 1.020 -4.868 -2.746 15.116 -99.200 -91.000 TYR 52 0.840 3.072 -10.622 24.063 -99.200 -91.000 TYR 60 0.840 -6.569 -10.309 12.919 -99.200 -91.000 PHE 64 1.000 -6.534 -3.693 6.550 -99.200 -91.000 TYR 94 0.840 -0.052 -4.826 2.187 -99.200 -91.000 TYR 95 0.840 6.204 0.475 5.282 -99.200 -91.000 TYR 101 0.840 7.098 -0.326 26.964 -99.200 -91.000 TYR 105 0.840 14.270 -1.915 17.377 -99.200 -91.000 TRP 106 1.040 8.352 1.319 12.145 -99.200 -91.000 TRP6 106 1.020 6.119 1.484 11.392 -99.200 -91.000