============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 5 1.000 7.979 20.955 49.257 -99.200 -91.000 TYR 9 0.840 6.210 29.915 52.216 -99.200 -91.000 TYR 11 0.840 10.914 35.975 58.977 -99.200 -91.000 TRP 31 1.040 3.887 17.195 38.179 -99.200 -91.000 TRP6 31 1.020 5.721 18.190 37.063 -99.200 -91.000 TRP 34 1.040 4.463 23.205 33.088 -99.200 -91.000 TRP6 34 1.020 6.579 22.181 33.028 -99.200 -91.000 TYR 47 0.840 20.731 12.371 28.186 -99.200 -91.000 TYR 58 0.840 5.261 22.363 19.384 -99.200 -91.000 TYR 67 0.840 10.589 29.596 34.361 -99.200 -91.000 PHE 75 1.000 3.693 19.719 41.549 -99.200 -91.000 PHE 81 1.000 16.218 17.753 39.640 -99.200 -91.000 TYR 85 0.840 22.146 18.609 36.218 -99.200 -91.000 TYR 87 0.840 17.915 19.473 26.357 -99.200 -91.000 HIS 91 0.900 21.989 21.498 24.633 -99.200 -91.000 PHE 92 1.000 25.776 22.560 33.061 -99.200 -91.000 HIS 99 0.900 25.196 24.927 24.585 -99.200 -91.000 TRP 100 1.040 20.155 32.449 24.537 -99.200 -91.000 TRP6 100 1.020 17.933 32.955 23.913 -99.200 -91.000 HIS 101 0.900 16.271 29.953 20.849 -99.200 -91.000 HIS 111 0.900 18.442 32.889 15.394 -99.200 -91.000 PHE 131 1.000 13.516 23.829 46.638 -99.200 -91.000 TRP 136 1.040 14.018 13.359 45.342 -99.200 -91.000 TRP6 136 1.020 14.171 14.623 43.357 -99.200 -91.000 TYR 144 0.840 19.869 14.866 42.593 -99.200 -91.000 TYR 156 0.840 30.861 35.679 43.150 -99.200 -91.000 HIS 158 0.900 32.541 31.979 33.788 -99.200 -91.000 HIS 162 0.900 36.590 40.863 41.047 -99.200 -91.000 TYR 165 0.840 30.616 42.029 45.822 -99.200 -91.000 TRP 173 1.040 24.443 39.188 27.548 -99.200 -91.000 TRP6 173 1.020 22.714 40.786 27.607 -99.200 -91.000 TYR 183 0.840 17.627 37.706 33.611 -99.200 -91.000 PHE 184 1.000 18.441 42.945 39.817 -99.200 -91.000 TRP 188 1.040 16.573 31.404 42.945 -99.200 -91.000 TRP6 188 1.020 14.392 31.957 43.661 -99.200 -91.000 TYR 189 0.840 21.235 36.193 43.610 -99.200 -91.000 TYR 192 0.840 22.516 30.259 44.224 -99.200 -91.000 TYR 195 0.840 24.065 23.178 48.874 -99.200 -91.000 TRP 201 1.040 26.893 33.115 45.470 -99.200 -91.000 TRP6 201 1.020 25.927 33.771 43.429 -99.200 -91.000 TYR 209 0.840 16.313 43.221 48.217 -99.200 -91.000 TYR 218 0.840 15.402 57.316 37.497 -99.200 -91.000 TRP 228 1.040 15.843 43.713 29.092 -99.200 -91.000 TRP6 228 1.020 17.470 42.027 29.367 -99.200 -91.000 TYR 241 0.840 13.585 52.765 32.526 -99.200 -91.000 TYR 243 0.840 5.506 44.728 36.009 -99.200 -91.000 TYR 245 0.840 4.038 38.950 28.094 -99.200 -91.000 TYR 250 0.840 11.899 43.211 41.930 -99.200 -91.000 TRP 252 1.040 8.211 33.195 41.929 -99.200 -91.000 TRP6 252 1.020 9.731 32.523 40.261 -99.200 -91.000 TYR 258 0.840 7.758 39.413 54.735 -99.200 -91.000 TRP 260 1.040 11.849 30.600 50.866 -99.200 -91.000 TRP6 260 1.020 13.393 29.915 49.212 -99.200 -91.000 PHE 261 1.000 16.822 33.274 53.370 -99.200 -91.000 PHE 276 1.000 0.335 49.942 38.906 -99.200 -91.000 PHE 277 1.000 0.318 44.839 39.019 -99.200 -91.000 TYR 289 0.840 0.244 47.470 34.215 -99.200 -91.000 HIS 300 0.900 -6.842 39.225 34.014 -99.200 -91.000 PHE 304 1.000 2.586 40.730 32.358 -99.200 -91.000 TYR 316 0.840 -2.120 47.125 49.580 -99.200 -91.000 PHE 320 1.000 -5.076 43.126 45.044 -99.200 -91.000 TYR 325 0.840 -5.435 29.963 45.556 -99.200 -91.000 TYR 336 0.840 0.312 29.913 18.321 -99.200 -91.000 TYR 337 0.840 0.731 33.402 21.721 -99.200 -91.000 TYR 339 0.840 8.249 28.184 28.177 -99.200 -91.000 TYR 340 0.840 7.374 33.933 30.587 -99.200 -91.000 TYR 351 0.840 5.959 32.875 47.541 -99.200 -91.000 PHE 356 1.000 10.149 27.754 45.152 -99.200 -91.000