============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 10 0.840 -20.853 30.235 18.810 -99.200 -91.000 TRP 22 1.040 -7.600 32.062 7.565 -99.200 -91.000 TRP6 22 1.020 -8.540 32.299 5.399 -99.200 -91.000 TYR 24 0.840 -6.343 33.769 18.848 -99.200 -91.000 PHE 25 1.000 -3.753 31.015 15.288 -99.200 -91.000 TYR 26 0.840 -2.361 33.239 10.022 -99.200 -91.000 PHE 33 1.000 -10.832 36.513 17.576 -99.200 -91.000 PHE 34 1.000 -9.998 36.989 22.492 -99.200 -91.000 TYR 41 0.840 -20.257 40.584 18.654 -99.200 -91.000 TYR 46 0.840 -16.823 39.021 22.292 -99.200 -91.000 PHE 55 1.000 -10.391 17.506 9.196 -99.200 -91.000 PHE 71 1.000 -10.219 35.539 33.416 -99.200 -91.000 PHE 75 1.000 -9.974 33.206 38.756 -99.200 -91.000 PHE 86 1.000 -2.216 23.165 31.313 -99.200 -91.000 TYR 90 0.840 -5.335 21.501 21.413 -99.200 -91.000 TYR 100 0.840 0.712 7.407 33.850 -99.200 -91.000 TYR 105 0.840 -3.798 18.278 29.768 -99.200 -91.000 HIS 113 0.900 -6.734 18.860 41.555 -99.200 -91.000 PHE 121 1.000 -0.132 22.529 46.932 -99.200 -91.000 PHE 122 1.000 8.294 16.172 50.145 -99.200 -91.000 PHE 132 1.000 16.014 33.560 48.788 -99.200 -91.000 PHE 135 1.000 16.809 33.686 40.043 -99.200 -91.000 TYR 139 0.840 18.080 32.954 36.253 -99.200 -91.000 PHE 143 1.000 21.361 38.941 34.567 -99.200 -91.000 PHE 158 1.000 16.504 37.099 29.643 -99.200 -91.000 PHE 167 1.000 16.038 21.052 32.568 -99.200 -91.000 PHE 169 1.000 15.897 28.559 40.000 -99.200 -91.000 PHE 174 1.000 11.392 22.931 40.981 -99.200 -91.000 TYR 175 0.840 13.583 17.508 40.140 -99.200 -91.000 TRP 195 1.040 6.513 16.814 25.494 -99.200 -91.000 TRP6 195 1.020 6.255 17.896 27.581 -99.200 -91.000 PHE 198 1.000 6.069 17.001 17.386 -99.200 -91.000 HIS 201 0.900 0.408 21.254 16.247 -99.200 -91.000 HIS 218 0.900 -2.355 27.690 12.933 -99.200 -91.000 PHE 220 1.000 -5.409 16.796 8.803 -99.200 -91.000 TYR 231 0.840 7.546 12.409 27.820 -99.200 -91.000 TYR 235 0.840 9.655 8.313 32.577 -99.200 -91.000 PHE 237 1.000 17.490 15.906 34.707 -99.200 -91.000 PHE 238 1.000 12.258 16.159 34.919 -99.200 -91.000 HIS 261 0.900 5.410 9.254 31.968 -99.200 -91.000 PHE 265 1.000 2.163 19.032 31.296 -99.200 -91.000 PHE 269 1.000 2.717 22.723 28.722 -99.200 -91.000 TRP 272 1.040 12.893 25.711 30.431 -99.200 -91.000 TRP6 272 1.020 12.121 25.553 28.197 -99.200 -91.000 PHE 279 1.000 12.645 34.627 35.262 -99.200 -91.000 HIS 291 0.900 18.428 54.543 30.896 -99.200 -91.000 HIS 294 0.900 15.824 50.232 33.829 -99.200 -91.000 TYR 328 0.840 2.392 41.116 43.892 -99.200 -91.000 PHE 333 1.000 1.076 46.777 30.079 -99.200 -91.000 TYR 341 0.840 -10.168 27.707 26.360 -99.200 -91.000 HIS 353 0.900 -16.837 45.836 35.109 -99.200 -91.000 PHE 357 1.000 -24.056 39.549 29.077 -99.200 -91.000 TYR 366 0.840 -10.653 32.566 25.655 -99.200 -91.000 TYR 368 0.840 -6.371 38.180 25.370 -99.200 -91.000 PHE 379 1.000 -5.979 46.297 38.101 -99.200 -91.000 PHE 385 1.000 5.556 47.672 34.025 -99.200 -91.000 PHE 390 1.000 -0.725 45.598 41.599 -99.200 -91.000 HIS 401 0.900 -10.286 43.275 41.468 -99.200 -91.000 TRP 404 1.040 0.545 35.325 38.836 -99.200 -91.000 TRP6 404 1.020 1.520 33.153 38.777 -99.200 -91.000 PHE 425 1.000 10.080 27.944 41.948 -99.200 -91.000 PHE 433 1.000 15.028 38.089 35.027 -99.200 -91.000 PHE 438 1.000 16.844 46.857 37.715 -99.200 -91.000 TYR 441 0.840 23.973 44.110 34.644 -99.200 -91.000 PHE 444 1.000 17.088 46.275 31.882 -99.200 -91.000 PHE 459 1.000 19.331 42.417 29.239 -99.200 -91.000