============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 4 0.900 4.266 68.105 25.838 -99.200 -91.000 PHE 7 1.000 11.221 70.894 15.179 -99.200 -91.000 TYR 11 0.840 11.935 63.186 23.902 -99.200 -91.000 PHE 19 1.000 32.523 61.580 21.524 -99.200 -91.000 TYR 32 0.840 11.549 61.361 9.504 -99.200 -91.000 PHE 52 1.000 33.064 59.967 -12.840 -99.200 -91.000 TRP 56 1.040 14.963 61.284 -10.770 -99.200 -91.000 TRP6 56 1.020 14.310 60.048 -12.672 -99.200 -91.000 TYR 73 0.840 21.863 38.204 -4.752 -99.200 -91.000 TYR 79 0.840 14.322 36.217 0.165 -99.200 -91.000 HIS 95 0.900 24.131 37.209 -24.868 -99.200 -91.000 PHE 97 1.000 30.220 45.214 -20.807 -99.200 -91.000 PHE 126 1.000 42.735 39.156 -15.291 -99.200 -91.000 TRP 130 1.040 51.395 34.880 -13.175 -99.200 -91.000 TRP6 130 1.020 52.443 34.950 -11.063 -99.200 -91.000 TRP 156 1.040 42.262 48.705 -11.126 -99.200 -91.000 TRP6 156 1.020 42.320 46.444 -11.795 -99.200 -91.000 PHE 159 1.000 44.211 42.397 -7.023 -99.200 -91.000 TYR 162 0.840 43.554 46.555 1.410 -99.200 -91.000 PHE 163 1.000 42.686 40.446 -2.506 -99.200 -91.000 TYR 176 0.840 49.432 59.917 -24.154 -99.200 -91.000 TYR 177 0.840 46.278 65.543 -18.949 -99.200 -91.000 PHE 207 1.000 34.921 55.707 -23.533 -99.200 -91.000 TRP 226 1.040 56.478 35.590 -20.584 -99.200 -91.000 TRP6 226 1.020 57.363 37.777 -20.670 -99.200 -91.000 HIS 231 0.900 39.231 43.646 -15.345 -99.200 -91.000 PHE 239 1.000 25.522 49.349 -17.553 -99.200 -91.000 PHE 243 1.000 23.566 51.078 -23.917 -99.200 -91.000 TYR 245 0.840 31.130 57.291 -28.025 -99.200 -91.000 TRP 250 1.040 34.159 48.865 -25.478 -99.200 -91.000 TRP6 250 1.020 33.701 47.899 -23.375 -99.200 -91.000 PHE 252 1.000 34.259 39.832 -22.246 -99.200 -91.000 HIS 265 0.900 27.720 51.908 -7.715 -99.200 -91.000 TYR 266 0.840 27.698 58.101 -17.042 -99.200 -91.000 TYR 270 0.840 17.910 55.806 -6.415 -99.200 -91.000 TRP 275 1.040 25.948 44.616 -12.855 -99.200 -91.000 TRP6 275 1.020 24.637 42.773 -12.182 -99.200 -91.000 TRP 278 1.040 36.176 36.460 -14.736 -99.200 -91.000 TRP6 278 1.020 34.757 36.775 -12.880 -99.200 -91.000 PHE 290 1.000 34.992 29.452 -0.528 -99.200 -91.000 HIS 291 0.900 29.904 24.967 -5.489 -99.200 -91.000 TYR 294 0.840 24.836 29.375 6.867 -99.200 -91.000 PHE 302 1.000 35.391 35.016 -7.407 -99.200 -91.000 PHE 306 1.000 26.594 34.567 3.501 -99.200 -91.000 TYR 317 0.840 15.110 41.457 -15.295 -99.200 -91.000 TYR 318 0.840 11.867 49.982 -13.637 -99.200 -91.000 HIS 325 0.900 21.056 47.430 -27.158 -99.200 -91.000 TYR 328 0.840 20.614 51.571 -19.757 -99.200 -91.000 PHE 352 1.000 37.236 78.409 -16.899 -99.200 -91.000 PHE 366 1.000 36.052 73.548 -16.098 -99.200 -91.000 HIS 374 0.900 41.693 85.343 -8.365 -99.200 -91.000 PHE 377 1.000 43.139 72.861 -5.538 -99.200 -91.000 TYR 386 0.840 26.730 81.460 -6.834 -99.200 -91.000 TRP 388 1.040 25.844 75.399 -9.418 -99.200 -91.000 TRP6 388 1.020 24.450 73.868 -10.549 -99.200 -91.000 TYR 393 0.840 40.423 66.039 -10.559 -99.200 -91.000 HIS 401 0.900 53.180 69.866 -15.137 -99.200 -91.000 PHE 413 1.000 24.066 69.283 -15.281 -99.200 -91.000