============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. HIS 8 0.900 -15.595 43.061 21.525 -99.200 -91.000 TYR 23 0.840 -5.879 24.613 10.526 -99.200 -91.000 PHE 27 1.000 -7.233 28.958 1.708 -99.200 -91.000 TRP 30 1.040 -6.182 39.149 5.767 -99.200 -91.000 TRP6 30 1.020 -5.831 38.252 3.612 -99.200 -91.000 TYR 45 0.840 -30.431 40.792 3.249 -99.200 -91.000 PHE 50 1.000 -40.103 44.281 -12.002 -99.200 -91.000 PHE 70 1.000 -32.019 51.715 3.152 -99.200 -91.000 HIS 78 0.900 -22.209 49.321 2.633 -99.200 -91.000 HIS 79 0.900 -27.344 52.388 0.237 -99.200 -91.000 HIS 83 0.900 -32.842 41.797 -11.976 -99.200 -91.000 HIS 84 0.900 -33.598 37.460 -6.434 -99.200 -91.000 TYR 90 0.840 -44.150 36.699 -9.801 -99.200 -91.000 TYR 98 0.840 -25.264 44.637 5.774 -99.200 -91.000 TRP 99 1.040 -30.492 51.000 10.265 -99.200 -91.000 TRP6 99 1.020 -31.589 49.768 8.555 -99.200 -91.000 HIS 106 0.900 -38.709 50.536 17.508 -99.200 -91.000 TRP 108 1.040 -34.702 54.420 8.288 -99.200 -91.000 TRP6 108 1.020 -35.655 52.558 7.189 -99.200 -91.000 TRP 117 1.040 -43.114 53.921 0.474 -99.200 -91.000 TRP6 117 1.020 -42.411 51.669 0.283 -99.200 -91.000 TRP 118 1.040 -44.058 47.730 6.092 -99.200 -91.000 TRP6 118 1.020 -43.261 46.523 4.219 -99.200 -91.000 PHE 130 1.000 -44.429 47.677 -2.734 -99.200 -91.000 PHE 131 1.000 -38.642 40.754 -0.777 -99.200 -91.000 PHE 142 1.000 -21.500 40.160 12.749 -99.200 -91.000 TYR 146 0.840 -15.044 40.303 4.868 -99.200 -91.000 PHE 148 1.000 -12.634 40.990 -0.257 -99.200 -91.000 HIS 169 0.900 -8.345 30.357 6.341 -99.200 -91.000 TYR 171 0.840 -10.779 24.427 10.902 -99.200 -91.000 TRP 172 1.040 -15.050 20.522 4.580 -99.200 -91.000 TRP6 172 1.020 -16.021 22.102 3.115 -99.200 -91.000 PHE 179 1.000 -21.831 31.838 13.250 -99.200 -91.000 TRP 186 1.040 -23.797 22.313 21.979 -99.200 -91.000 TRP6 186 1.020 -22.029 21.226 20.854 -99.200 -91.000 HIS 211 0.900 -36.408 27.815 13.105 -99.200 -91.000 TRP 223 1.040 -17.266 39.753 -12.653 -99.200 -91.000 TRP6 223 1.020 -19.248 39.314 -11.447 -99.200 -91.000 TYR 234 0.840 -16.941 34.746 -10.832 -99.200 -91.000 PHE 248 1.000 -29.540 20.478 -4.392 -99.200 -91.000 TYR 259 0.840 -36.678 27.543 7.056 -99.200 -91.000 PHE 263 1.000 -25.388 33.656 -8.283 -99.200 -91.000 PHE 273 1.000 -27.987 42.718 -14.540 -99.200 -91.000 TYR 278 0.840 -25.498 40.364 -1.988 -99.200 -91.000 HIS 282 0.900 -33.146 34.580 4.612 -99.200 -91.000 TRP 283 1.040 -28.917 27.740 4.249 -99.200 -91.000 TRP6 283 1.020 -28.708 25.541 3.409 -99.200 -91.000 TRP 292 1.040 -25.877 22.502 -0.547 -99.200 -91.000 TRP6 292 1.020 -24.558 24.363 -1.181 -99.200 -91.000 HIS 296 0.900 -26.146 18.667 -2.949 -99.200 -91.000 HIS 299 0.900 -19.228 25.065 -0.828 -99.200 -91.000 PHE 303 1.000 -12.825 22.881 -0.692 -99.200 -91.000 PHE 306 1.000 -10.639 29.301 -4.403 -99.200 -91.000 PHE 307 1.000 -8.890 25.213 -2.198 -99.200 -91.000 TYR 319 0.840 -18.587 39.229 0.130 -99.200 -91.000 HIS 320 0.900 -18.571 32.432 4.596 -99.200 -91.000 PHE 325 1.000 -30.392 36.047 11.716 -99.200 -91.000 TYR 332 0.840 -37.580 36.232 8.401 -99.200 -91.000 TYR 334 0.840 -42.236 37.694 2.943 -99.200 -91.000 HIS 338 0.900 -43.299 34.302 -6.069 -99.200 -91.000 HIS 353 0.900 -48.438 27.226 14.047 -99.200 -91.000