============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. HIS 11 0.900 3.536 -2.855 92.496 -99.200 -91.000 HIS 14 0.900 -6.002 6.583 88.266 -99.200 -91.000 HIS 16 0.900 -1.742 -4.379 87.094 -99.200 -91.000 PHE 20 1.000 -5.904 -1.845 78.829 -99.200 -91.000 PHE 41 1.000 -5.962 -5.716 82.685 -99.200 -91.000 HIS 55 0.900 -12.918 -24.422 80.850 -99.200 -91.000 PHE 59 1.000 -17.913 -17.536 81.555 -99.200 -91.000 PHE 60 1.000 -15.305 -12.370 76.419 -99.200 -91.000 PHE 61 1.000 -14.888 -14.884 72.138 -99.200 -91.000 TYR 74 0.840 -16.353 -2.095 74.535 -99.200 -91.000 PHE 76 1.000 -14.001 3.153 75.414 -99.200 -91.000 PHE 81 1.000 -20.860 4.846 69.065 -99.200 -91.000 PHE 87 1.000 -22.915 2.990 73.895 -99.200 -91.000 HIS 95 0.900 -22.959 -2.993 50.275 -99.200 -91.000 TRP 110 1.040 -1.914 6.341 44.378 -99.200 -91.000 TRP6 110 1.020 -1.519 4.114 45.055 -99.200 -91.000 PHE 121 1.000 -4.481 4.219 49.283 -99.200 -91.000 PHE 122 1.000 -4.615 0.325 52.490 -99.200 -91.000 TYR 128 0.840 -12.996 9.376 50.494 -99.200 -91.000 PHE 139 1.000 -22.774 11.360 54.286 -99.200 -91.000 PHE 147 1.000 -17.341 11.921 57.699 -99.200 -91.000 TYR 151 0.840 -15.433 7.964 61.904 -99.200 -91.000 HIS 152 0.900 -6.243 9.001 62.815 -99.200 -91.000 TYR 163 0.840 -12.408 1.106 80.294 -99.200 -91.000 TYR 167 0.840 -17.797 13.063 79.543 -99.200 -91.000 PHE 173 1.000 -10.418 11.449 77.461 -99.200 -91.000 PHE 216 1.000 -34.251 11.313 63.357 -99.200 -91.000 PHE 225 1.000 -25.632 9.692 58.066 -99.200 -91.000 PHE 230 1.000 -15.381 4.245 66.583 -99.200 -91.000 HIS 233 0.900 -12.034 4.794 59.442 -99.200 -91.000 HIS 234 0.900 -10.789 0.340 65.183 -99.200 -91.000 TRP 242 1.040 -0.773 -4.008 60.903 -99.200 -91.000 TRP6 242 1.020 1.549 -4.269 61.196 -99.200 -91.000 HIS 250 0.900 6.132 -12.631 55.752 -99.200 -91.000 TYR 254 0.840 3.352 -7.993 46.277 -99.200 -91.000 TYR 265 0.840 -10.011 -10.163 39.372 -99.200 -91.000 PHE 273 1.000 -17.702 -14.680 38.981 -99.200 -91.000 HIS 274 0.900 -12.830 -13.664 39.468 -99.200 -91.000 HIS 293 0.900 0.455 -7.793 62.249 -99.200 -91.000 PHE 307 1.000 -21.834 -15.734 84.925 -99.200 -91.000 HIS 312 0.900 -8.668 -19.026 89.459 -99.200 -91.000 HIS 315 0.900 -17.380 -12.926 93.454 -99.200 -91.000 PHE 334 1.000 -4.037 -20.283 66.877 -99.200 -91.000 HIS 338 0.900 5.335 -14.978 69.128 -99.200 -91.000 PHE 340 1.000 2.317 -13.762 56.373 -99.200 -91.000 TYR 345 0.840 -4.836 -19.175 58.917 -99.200 -91.000 TRP 357 1.040 -14.588 -22.798 71.686 -99.200 -91.000 TRP6 357 1.020 -16.526 -21.498 71.293 -99.200 -91.000 TRP 359 1.040 -7.488 -17.700 63.386 -99.200 -91.000 TRP6 359 1.020 -9.131 -16.688 62.017 -99.200 -91.000 PHE 362 1.000 -12.993 -11.059 60.719 -99.200 -91.000 HIS 367 0.900 -21.368 -11.607 72.437 -99.200 -91.000 PHE 374 1.000 -18.494 -3.905 53.844 -99.200 -91.000 PHE 383 1.000 -4.570 -5.294 49.987 -99.200 -91.000 TYR 390 0.840 -0.334 2.255 40.618 -99.200 -91.000 PHE 392 1.000 0.985 -1.091 46.189 -99.200 -91.000 TYR 401 0.840 6.469 -0.767 56.990 -99.200 -91.000 HIS 405 0.900 -1.161 -2.246 69.945 -99.200 -91.000 TYR 420 0.840 2.314 5.163 43.818 -99.200 -91.000