============================================================================= 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. TYR 14 0.840 19.008 -6.128 35.100 -99.200 -91.000 TYR 15 0.840 20.633 -8.879 26.973 -99.200 -91.000 PHE 38 1.000 21.473 3.137 19.835 -99.200 -91.000 HIS 45 0.900 35.929 -7.013 21.754 -99.200 -91.000 PHE 47 1.000 35.875 -10.868 25.662 -99.200 -91.000 HIS 49 0.900 27.654 -14.166 21.573 -99.200 -91.000 TYR 51 0.840 30.768 -6.990 12.886 -99.200 -91.000 TYR 52 0.840 24.994 0.301 12.438 -99.200 -91.000 TYR 60 0.840 26.529 5.061 8.268 -99.200 -91.000 TYR 68 0.840 38.286 8.267 25.116 -99.200 -91.000 TYR 71 0.840 30.600 4.174 28.948 -99.200 -91.000 TRP 76 1.040 31.900 3.319 23.830 -99.200 -91.000 TRP6 76 1.020 31.318 5.044 22.329 -99.200 -91.000 HIS 89 0.900 9.767 -8.499 21.943 -99.200 -91.000 PHE 108 1.000 31.061 -0.583 26.156 -99.200 -91.000 PHE 109 1.000 31.586 -4.084 22.683 -99.200 -91.000 TRP 115 1.040 25.902 -6.173 27.612 -99.200 -91.000 TRP6 115 1.020 27.637 -4.627 27.178 -99.200 -91.000 TYR 123 0.840 17.668 14.562 31.771 -99.200 -91.000 PHE 136 1.000 16.131 5.471 21.152 -99.200 -91.000 PHE 137 1.000 12.580 8.469 26.753 -99.200 -91.000 HIS 145 0.900 1.601 12.153 18.130 -99.200 -91.000 PHE 150 1.000 13.978 6.068 31.163 -99.200 -91.000 HIS 170 0.900 -0.651 2.398 37.916 -99.200 -91.000 TYR 173 0.840 3.347 1.042 41.169 -99.200 -91.000 TRP 178 1.040 6.598 6.999 49.243 -99.200 -91.000 TRP6 178 1.020 6.069 8.832 50.627 -99.200 -91.000 TYR 179 0.840 6.612 10.235 41.407 -99.200 -91.000 TRP 186 1.040 24.310 16.536 36.055 -99.200 -91.000 TRP6 186 1.020 26.632 16.695 36.438 -99.200 -91.000 TYR 187 0.840 26.600 11.886 35.235 -99.200 -91.000 TYR 188 0.840 17.651 10.037 34.013 -99.200 -91.000 TYR 209 0.840 24.947 10.757 54.276 -99.200 -91.000 TYR 211 0.840 33.618 15.166 47.356 -99.200 -91.000 PHE 230 1.000 33.949 1.186 50.670 -99.200 -91.000 PHE 246 1.000 31.942 -12.349 56.562 -99.200 -91.000 PHE 250 1.000 32.393 -9.824 51.773 -99.200 -91.000 TRP 251 1.040 34.669 -6.595 55.137 -99.200 -91.000 TRP6 251 1.020 32.328 -6.476 55.423 -99.200 -91.000 TRP 259 1.040 28.444 -18.174 54.747 -99.200 -91.000 TRP6 259 1.020 28.273 -16.050 53.730 -99.200 -91.000 TRP 266 1.040 20.250 -14.846 52.900 -99.200 -91.000 TRP6 266 1.020 21.474 -13.664 51.265 -99.200 -91.000 PHE 269 1.000 26.527 -10.458 55.744 -99.200 -91.000 TYR 275 0.840 15.814 7.679 56.183 -99.200 -91.000 PHE 285 1.000 11.446 8.746 48.285 -99.200 -91.000 TYR 294 0.840 24.209 -5.335 52.099 -99.200 -91.000 TYR 309 0.840 25.742 -15.058 48.399 -99.200 -91.000 PHE 311 1.000 30.482 -4.716 51.003 -99.200 -91.000 PHE 330 1.000 13.728 -0.624 46.319 -99.200 -91.000 TYR 331 0.840 7.407 0.525 37.588 -99.200 -91.000 PHE 334 1.000 15.265 6.129 35.730 -99.200 -91.000 PHE 343 1.000 14.071 5.532 43.641 -99.200 -91.000 HIS 349 0.900 8.450 -8.395 47.379 -99.200 -91.000 HIS 351 0.900 9.770 -11.831 49.411 -99.200 -91.000 PHE 354 1.000 13.361 -14.832 60.130 -99.200 -91.000 PHE 363 1.000 10.986 7.922 57.417 -99.200 -91.000 TYR 373 0.840 30.715 18.877 47.401 -99.200 -91.000