============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 17 0.840 12.281 22.147 13.153 -99.200 -91.000 PHE 34 1.000 17.629 30.829 10.116 -99.200 -91.000 TRP 42 1.040 12.585 39.405 17.995 -99.200 -91.000 TRP6 42 1.020 12.902 38.663 20.138 -99.200 -91.000 PHE 44 1.000 15.635 36.825 24.975 -99.200 -91.000 TYR 59 0.840 24.444 42.400 18.669 -99.200 -91.000 TRP 75 1.040 13.197 46.430 17.569 -99.200 -91.000 TRP6 75 1.020 12.336 44.433 18.323 -99.200 -91.000 TYR 79 0.840 6.659 37.484 16.655 -99.200 -91.000 TYR 89 0.840 22.980 48.758 18.584 -99.200 -91.000 PHE 115 1.000 9.146 35.938 21.772 -99.200 -91.000 PHE 129 1.000 7.684 37.990 -0.016 -99.200 -91.000 PHE 143 1.000 21.329 36.279 6.231 -99.200 -91.000 PHE 144 1.000 15.637 35.230 -0.039 -99.200 -91.000 PHE 156 1.000 14.096 31.294 2.602 -99.200 -91.000 TYR 162 0.840 8.403 12.372 12.796 -99.200 -91.000 HIS 163 0.900 9.635 13.760 16.846 -99.200 -91.000 TYR 168 0.840 15.644 27.135 7.792 -99.200 -91.000 PHE 170 1.000 19.569 31.467 4.090 -99.200 -91.000 PHE 172 1.000 23.388 24.949 -1.688 -99.200 -91.000 TYR 178 0.840 14.787 18.007 -5.021 -99.200 -91.000 TYR 184 0.840 10.030 25.888 -8.460 -99.200 -91.000 PHE 193 1.000 1.564 36.841 6.830 -99.200 -91.000 TRP 194 1.040 7.966 33.637 1.926 -99.200 -91.000 TRP6 194 1.020 8.884 33.531 -0.156 -99.200 -91.000 TRP 196 1.040 1.083 27.925 -0.109 -99.200 -91.000 TRP6 196 1.020 0.440 25.795 -0.774 -99.200 -91.000 TYR 201 0.840 -9.770 17.969 2.038 -99.200 -91.000 PHE 208 1.000 -6.231 16.774 -4.290 -99.200 -91.000 TYR 225 0.840 -2.766 26.105 14.011 -99.200 -91.000 TYR 234 0.840 -6.213 13.711 9.905 -99.200 -91.000 TRP 235 1.040 -8.422 15.907 13.723 -99.200 -91.000 TRP6 235 1.020 -6.826 14.438 14.599 -99.200 -91.000 TYR 250 0.840 -10.988 18.265 15.641 -99.200 -91.000 PHE 252 1.000 -3.912 11.419 18.163 -99.200 -91.000 PHE 261 1.000 -4.805 17.209 5.031 -99.200 -91.000 PHE 263 1.000 0.855 20.167 1.572 -99.200 -91.000 TYR 276 0.840 6.503 13.602 9.113 -99.200 -91.000 PHE 279 1.000 3.466 19.188 18.194 -99.200 -91.000 PHE 288 1.000 -3.516 20.117 20.517 -99.200 -91.000 PHE 302 1.000 -1.069 24.813 3.473 -99.200 -91.000 PHE 311 1.000 14.860 20.901 -1.098 -99.200 -91.000 PHE 314 1.000 10.096 29.118 2.030 -99.200 -91.000 PHE 324 1.000 4.991 23.416 -0.723 -99.200 -91.000