============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 8 1.000 -5.711 -5.861 -11.534 -99.200 -91.000 PHE 16 1.000 2.595 3.068 -16.713 -99.200 -91.000 TRP 20 1.040 4.677 6.168 -20.248 -99.200 -91.000 TRP6 20 1.020 6.371 6.683 -18.676 -99.200 -91.000 HIS 29 0.900 0.338 28.564 -5.529 -99.200 -91.000 PHE 33 1.000 -1.700 21.210 -0.558 -99.200 -91.000 PHE 44 1.000 18.453 15.111 -5.088 -99.200 -91.000 HIS 52 0.900 -6.326 21.162 -0.562 -99.200 -91.000 HIS 58 0.900 -3.937 16.489 8.891 -99.200 -91.000 TYR 59 0.840 -4.250 15.500 0.682 -99.200 -91.000 HIS 77 0.900 18.187 8.430 -11.500 -99.200 -91.000 PHE 90 1.000 -1.173 -3.695 -7.283 -99.200 -91.000 PHE 92 1.000 -1.444 -4.563 -1.284 -99.200 -91.000 PHE 98 1.000 -4.538 17.911 -4.509 -99.200 -91.000 PHE 100 1.000 2.287 22.399 -5.377 -99.200 -91.000 TYR 107 0.840 6.600 22.868 -3.881 -99.200 -91.000 TYR 112 0.840 0.172 11.213 7.859 -99.200 -91.000 PHE 119 1.000 15.165 1.930 10.022 -99.200 -91.000 HIS 121 0.900 5.920 0.342 13.322 -99.200 -91.000 PHE 128 1.000 8.207 -6.989 11.226 -99.200 -91.000 HIS 132 0.900 4.498 -8.694 11.823 -99.200 -91.000 PHE 135 1.000 -0.687 -8.635 6.221 -99.200 -91.000 TYR 136 0.840 4.360 -6.156 7.318 -99.200 -91.000 PHE 144 1.000 9.330 -5.512 -6.058 -99.200 -91.000 TYR 146 0.840 0.041 -2.029 -11.089 -99.200 -91.000 HIS 148 0.900 9.263 -6.416 -11.726 -99.200 -91.000 TYR 154 0.840 10.337 0.527 -5.240 -99.200 -91.000 TYR 169 0.840 -3.608 -5.651 4.222 -99.200 -91.000 PHE 175 1.000 6.682 3.914 -6.818 -99.200 -91.000 PHE 177 1.000 17.912 5.888 -6.742 -99.200 -91.000 TRP 186 1.040 24.605 -1.325 -19.098 -99.200 -91.000 TRP6 186 1.020 23.104 -0.975 -20.887 -99.200 -91.000 TYR 193 0.840 17.302 -4.197 1.297 -99.200 -91.000 TYR 204 0.840 20.727 -2.608 -13.114 -99.200 -91.000 TRP 210 1.040 11.290 -10.943 -9.453 -99.200 -91.000 TRP6 210 1.020 9.349 -10.640 -8.145 -99.200 -91.000 TRP 211 1.040 20.066 -9.545 -4.403 -99.200 -91.000 TRP6 211 1.020 21.542 -11.399 -4.506 -99.200 -91.000 TYR 218 0.840 19.302 -13.171 6.089 -99.200 -91.000 TYR 224 0.840 20.900 -10.906 11.613 -99.200 -91.000 PHE 227 1.000 24.334 -10.965 0.922 -99.200 -91.000 PHE 228 1.000 25.794 -7.387 9.822 -99.200 -91.000 TYR 236 0.840 29.368 -1.688 -2.756 -99.200 -91.000 PHE 246 1.000 19.584 -18.816 4.228 -99.200 -91.000 HIS 249 0.900 15.524 -17.019 13.857 -99.200 -91.000 PHE 250 1.000 15.877 -16.410 8.457 -99.200 -91.000 PHE 270 1.000 12.183 -20.140 -7.186 -99.200 -91.000 HIS 283 0.900 9.606 -21.917 -1.803 -99.200 -91.000 TRP 285 1.040 8.125 -18.722 4.395 -99.200 -91.000 TRP6 285 1.020 7.639 -16.467 3.941 -99.200 -91.000 PHE 286 1.000 5.475 -15.992 -0.529 -99.200 -91.000 TRP 291 1.040 -0.409 -15.947 -3.718 -99.200 -91.000 TRP6 291 1.020 1.343 -14.504 -3.117 -99.200 -91.000 TYR 295 0.840 -6.284 -6.366 -6.196 -99.200 -91.000 PHE 303 1.000 2.433 -3.094 14.456 -99.200 -91.000 PHE 307 1.000 -4.636 6.273 12.885 -99.200 -91.000 PHE 316 1.000 5.311 8.804 9.727 -99.200 -91.000 TYR 319 0.840 13.189 12.799 10.108 -99.200 -91.000 PHE 335 1.000 14.395 19.722 -12.352 -99.200 -91.000 PHE 338 1.000 7.409 17.762 -10.506 -99.200 -91.000