============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 9 0.840 11.493 -13.667 32.756 -99.200 -91.000 TRP 28 1.040 -4.762 -17.656 12.248 -99.200 -91.000 TRP6 28 1.020 -4.824 -16.178 10.401 -99.200 -91.000 TRP 34 1.040 5.794 -7.891 13.571 -99.200 -91.000 TRP6 34 1.020 6.410 -6.720 11.610 -99.200 -91.000 PHE 38 1.000 11.856 -12.989 19.312 -99.200 -91.000 PHE 47 1.000 10.661 -24.195 20.907 -99.200 -91.000 PHE 59 1.000 14.495 -28.992 -2.796 -99.200 -91.000 TYR 64 0.840 19.170 -20.008 -8.509 -99.200 -91.000 PHE 67 1.000 22.866 -17.211 -5.343 -99.200 -91.000 PHE 71 1.000 20.870 -21.451 3.194 -99.200 -91.000 HIS 78 0.900 23.782 -13.985 12.179 -99.200 -91.000 PHE 79 1.000 17.922 -22.486 10.897 -99.200 -91.000 HIS 83 0.900 17.804 -24.171 20.498 -99.200 -91.000 HIS 86 0.900 20.564 -34.253 9.458 -99.200 -91.000 TYR 87 0.840 23.017 -26.295 8.235 -99.200 -91.000 TYR 88 0.840 17.679 -33.300 6.587 -99.200 -91.000 PHE 90 1.000 16.101 -32.394 -0.348 -99.200 -91.000 TYR 116 0.840 11.637 -35.162 -11.761 -99.200 -91.000 TRP 119 1.040 7.669 -26.838 -18.636 -99.200 -91.000 TRP6 119 1.020 5.970 -26.037 -17.179 -99.200 -91.000 PHE 133 1.000 14.775 -37.423 0.583 -99.200 -91.000 PHE 138 1.000 13.275 -34.001 5.474 -99.200 -91.000 TYR 144 0.840 9.191 -27.679 16.089 -99.200 -91.000 PHE 154 1.000 19.739 -18.200 7.751 -99.200 -91.000 HIS 157 0.900 17.696 -15.368 17.316 -99.200 -91.000 PHE 167 1.000 8.104 -21.497 9.941 -99.200 -91.000 HIS 171 0.900 6.921 -11.694 -1.712 -99.200 -91.000 PHE 174 1.000 3.025 -8.880 -3.424 -99.200 -91.000 TYR 175 0.840 6.060 -4.716 4.689 -99.200 -91.000 PHE 182 1.000 -2.254 -9.801 0.114 -99.200 -91.000 TYR 184 0.840 -3.759 -14.388 -2.146 -99.200 -91.000 TYR 193 0.840 -10.700 -18.304 -8.018 -99.200 -91.000 PHE 201 1.000 -1.476 -11.945 7.602 -99.200 -91.000 TYR 202 0.840 1.877 -13.566 -2.569 -99.200 -91.000 TYR 203 0.840 0.587 -16.744 4.865 -99.200 -91.000 PHE 207 1.000 12.237 -18.511 7.173 -99.200 -91.000 PHE 208 1.000 7.397 -24.311 2.629 -99.200 -91.000 HIS 223 0.900 3.691 -34.085 -6.065 -99.200 -91.000 TRP 238 1.040 3.935 -14.711 -8.882 -99.200 -91.000 TRP6 238 1.020 6.043 -14.304 -9.840 -99.200 -91.000 HIS 239 0.900 5.906 -20.883 -11.765 -99.200 -91.000 HIS 243 0.900 -0.665 -25.005 -6.779 -99.200 -91.000 TYR 247 0.840 -1.821 -26.860 3.588 -99.200 -91.000 HIS 251 0.900 -5.414 -26.831 4.925 -99.200 -91.000 TYR 261 0.840 11.944 -14.107 11.747 -99.200 -91.000 TRP 263 1.040 14.073 -6.137 3.763 -99.200 -91.000 TRP6 263 1.020 11.827 -5.476 3.914 -99.200 -91.000 TRP 270 1.040 16.867 -1.849 8.406 -99.200 -91.000 TRP6 270 1.020 19.025 -2.625 8.971 -99.200 -91.000 PHE 279 1.000 16.731 -16.811 4.635 -99.200 -91.000