============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 2 0.840 26.057 98.555 56.245 -99.200 -91.000 PHE 11 1.000 33.509 78.943 61.982 -99.200 -91.000 PHE 31 1.000 25.382 73.171 44.028 -99.200 -91.000 PHE 37 1.000 30.755 67.454 58.579 -99.200 -91.000 PHE 41 1.000 38.783 74.648 55.894 -99.200 -91.000 TYR 51 0.840 17.322 78.775 55.503 -99.200 -91.000 PHE 57 1.000 21.843 69.615 46.754 -99.200 -91.000 PHE 69 1.000 23.389 69.478 40.862 -99.200 -91.000 PHE 86 1.000 41.219 72.065 51.817 -99.200 -91.000 TYR 89 0.840 42.149 69.282 46.730 -99.200 -91.000 PHE 91 1.000 44.167 74.816 39.749 -99.200 -91.000 PHE 94 1.000 41.406 77.133 34.414 -99.200 -91.000 TYR 104 0.840 25.544 77.998 29.773 -99.200 -91.000 TYR 106 0.840 30.911 87.098 23.251 -99.200 -91.000 PHE 112 1.000 19.004 78.917 26.461 -99.200 -91.000 TRP 123 1.040 42.809 82.588 47.494 -99.200 -91.000 TRP6 123 1.020 43.820 84.326 48.791 -99.200 -91.000 HIS 128 0.900 48.723 73.390 59.309 -99.200 -91.000 TYR 132 0.840 49.035 68.908 45.322 -99.200 -91.000 HIS 133 0.900 45.154 69.711 51.601 -99.200 -91.000 PHE 140 1.000 46.904 78.818 37.653 -99.200 -91.000 PHE 141 1.000 39.727 79.958 38.325 -99.200 -91.000 HIS 143 0.900 44.484 85.243 29.379 -99.200 -91.000 PHE 156 1.000 31.071 95.531 57.364 -99.200 -91.000 PHE 174 1.000 33.359 85.456 49.226 -99.200 -91.000 PHE 175 1.000 39.524 81.577 44.420 -99.200 -91.000 TYR 181 0.840 37.084 79.392 56.140 -99.200 -91.000 TYR 193 0.840 27.063 93.560 55.666 -99.200 -91.000 TRP 214 1.040 44.815 89.466 46.024 -99.200 -91.000 TRP6 214 1.020 46.088 90.796 44.543 -99.200 -91.000 HIS 219 0.900 43.864 91.648 57.695 -99.200 -91.000 TRP 247 1.040 42.374 95.219 37.199 -99.200 -91.000 TRP6 247 1.020 43.954 96.875 37.816 -99.200 -91.000 HIS 266 0.900 50.654 87.961 43.527 -99.200 -91.000 PHE 274 1.000 44.663 90.980 38.660 -99.200 -91.000 PHE 287 1.000 56.916 106.692 31.170 -99.200 -91.000 TYR 300 0.840 60.954 83.220 47.367 -99.200 -91.000 PHE 304 1.000 52.261 77.958 50.401 -99.200 -91.000 HIS 306 0.900 54.716 69.692 56.064 -99.200 -91.000 PHE 308 1.000 62.104 73.341 52.621 -99.200 -91.000 PHE 311 1.000 63.132 79.502 56.291 -99.200 -91.000 TYR 312 0.840 55.947 80.162 48.163 -99.200 -91.000 TRP 317 1.040 60.398 90.825 59.607 -99.200 -91.000 TRP6 317 1.020 61.069 92.923 60.496 -99.200 -91.000 TYR 320 0.840 61.157 98.158 56.843 -99.200 -91.000 TYR 329 0.840 65.033 103.693 41.063 -99.200 -91.000