============================================================================= 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 19.115 -6.240 35.252 -99.200 -91.000 TYR 15 0.840 20.568 -8.950 27.255 -99.200 -91.000 PHE 38 1.000 21.253 3.104 19.919 -99.200 -91.000 HIS 45 0.900 35.715 -7.160 21.653 -99.200 -91.000 PHE 47 1.000 35.758 -10.850 25.612 -99.200 -91.000 HIS 49 0.900 27.586 -14.320 21.360 -99.200 -91.000 TYR 51 0.840 30.410 -7.029 12.801 -99.200 -91.000 TYR 52 0.840 24.674 0.175 12.446 -99.200 -91.000 TYR 60 0.840 26.113 5.026 8.433 -99.200 -91.000 TYR 68 0.840 38.082 8.265 24.927 -99.200 -91.000 TYR 71 0.840 30.576 3.977 28.846 -99.200 -91.000 TRP 76 1.040 31.824 3.120 23.672 -99.200 -91.000 TRP6 76 1.020 31.189 4.888 22.240 -99.200 -91.000 HIS 89 0.900 9.684 -8.534 22.221 -99.200 -91.000 PHE 108 1.000 30.990 -0.625 26.072 -99.200 -91.000 PHE 109 1.000 31.528 -4.098 22.549 -99.200 -91.000 TRP 115 1.040 25.836 -6.175 27.616 -99.200 -91.000 TRP6 115 1.020 27.595 -4.682 27.084 -99.200 -91.000 TYR 123 0.840 17.762 14.468 31.895 -99.200 -91.000 PHE 136 1.000 16.020 5.417 21.310 -99.200 -91.000 PHE 137 1.000 12.522 8.372 26.924 -99.200 -91.000 HIS 145 0.900 1.333 11.661 18.408 -99.200 -91.000 PHE 150 1.000 13.993 5.993 31.334 -99.200 -91.000 HIS 167 0.900 -0.835 2.150 38.548 -99.200 -91.000 TYR 170 0.840 3.468 1.024 41.468 -99.200 -91.000 TRP 175 1.040 6.779 7.087 49.491 -99.200 -91.000 TRP6 175 1.020 6.241 8.963 50.805 -99.200 -91.000 TYR 176 0.840 6.783 10.154 41.646 -99.200 -91.000 TRP 183 1.040 24.423 16.532 36.181 -99.200 -91.000 TRP6 183 1.020 26.749 16.628 36.474 -99.200 -91.000 TYR 184 0.840 26.756 11.800 35.468 -99.200 -91.000 TYR 185 0.840 17.755 10.012 34.185 -99.200 -91.000 TYR 206 0.840 25.064 10.669 54.420 -99.200 -91.000 TYR 208 0.840 33.746 14.981 47.646 -99.200 -91.000 PHE 227 1.000 33.891 1.057 50.873 -99.200 -91.000 PHE 243 1.000 32.002 -12.391 56.653 -99.200 -91.000 PHE 247 1.000 32.422 -9.846 52.022 -99.200 -91.000 TRP 248 1.040 34.711 -6.658 55.356 -99.200 -91.000 TRP6 248 1.020 32.360 -6.526 55.598 -99.200 -91.000 TRP 256 1.040 28.477 -18.231 54.741 -99.200 -91.000 TRP6 256 1.020 28.299 -16.103 53.745 -99.200 -91.000 TRP 263 1.040 20.186 -14.931 52.991 -99.200 -91.000 TRP6 263 1.020 21.487 -13.862 51.336 -99.200 -91.000 PHE 266 1.000 26.556 -10.563 55.869 -99.200 -91.000 TYR 272 0.840 15.954 7.669 56.380 -99.200 -91.000 PHE 282 1.000 11.629 8.754 48.472 -99.200 -91.000 TYR 291 0.840 24.235 -5.404 52.302 -99.200 -91.000 TYR 306 0.840 25.830 -15.034 48.431 -99.200 -91.000 PHE 308 1.000 30.437 -4.784 51.218 -99.200 -91.000 PHE 327 1.000 13.987 -0.641 46.480 -99.200 -91.000 TYR 328 0.840 7.513 0.421 37.860 -99.200 -91.000 PHE 331 1.000 15.430 6.048 35.919 -99.200 -91.000 PHE 340 1.000 14.273 5.416 43.837 -99.200 -91.000 HIS 346 0.900 8.350 -8.411 47.330 -99.200 -91.000 HIS 348 0.900 9.750 -11.686 49.622 -99.200 -91.000 PHE 351 1.000 13.481 -14.775 60.379 -99.200 -91.000 PHE 360 1.000 11.083 7.971 57.605 -99.200 -91.000 TYR 370 0.840 30.879 18.834 47.533 -99.200 -91.000