============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TRP 11 1.040 8.546 0.866 0.229 -99.200 -91.000 TRP6 11 1.020 9.964 2.698 0.682 -99.200 -91.000 PHE 27 1.000 20.919 -1.747 6.573 -99.200 -91.000 HIS 29 0.900 25.243 -7.137 4.752 -99.200 -91.000 PHE 39 1.000 7.172 6.331 -12.460 -99.200 -91.000 HIS 41 0.900 3.719 7.631 -1.857 -99.200 -91.000 PHE 54 1.000 18.043 1.703 2.104 -99.200 -91.000 TYR 73 0.840 13.418 13.811 -8.971 -99.200 -91.000 TRP 77 1.040 19.640 0.877 -8.911 -99.200 -91.000 TRP6 77 1.020 19.900 -1.488 -8.704 -99.200 -91.000 HIS 82 0.900 6.668 -3.816 -11.286 -99.200 -91.000 TYR 88 0.840 -4.652 -9.922 -13.281 -99.200 -91.000 TYR 89 0.840 -2.835 -2.710 -14.585 -99.200 -91.000 PHE 107 1.000 16.984 4.656 -15.496 -99.200 -91.000 HIS 108 0.900 23.076 -0.805 -11.799 -99.200 -91.000 TRP 145 1.040 22.430 -10.472 -20.202 -99.200 -91.000 TRP6 145 1.020 20.788 -11.592 -18.950 -99.200 -91.000 TYR 152 0.840 9.945 -17.884 -9.007 -99.200 -91.000 TRP 156 1.040 4.414 -20.669 -7.477 -99.200 -91.000 TRP6 156 1.020 4.611 -21.942 -5.493 -99.200 -91.000 HIS 173 0.900 15.871 -17.189 -6.845 -99.200 -91.000 TRP 179 1.040 17.345 -20.123 -21.002 -99.200 -91.000 TRP6 179 1.020 17.814 -17.901 -21.645 -99.200 -91.000 TYR 196 0.840 11.126 -16.110 -2.679 -99.200 -91.000 TYR 209 0.840 21.949 -13.733 0.947 -99.200 -91.000 PHE 217 1.000 15.899 -11.941 0.925 -99.200 -91.000 PHE 228 1.000 13.694 -3.421 2.821 -99.200 -91.000