============================================================================= 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 5 0.840 34.096 16.305 5.340 -99.200 -91.000 TYR 23 0.840 12.775 25.182 36.178 -99.200 -91.000 PHE 39 1.000 19.491 24.255 15.099 -99.200 -91.000 PHE 45 1.000 40.346 20.523 6.742 -99.200 -91.000 TRP 59 1.040 43.682 11.476 4.237 -99.200 -91.000 TRP6 59 1.020 43.133 13.635 5.042 -99.200 -91.000 TRP 74 1.040 43.151 20.848 14.796 -99.200 -91.000 TRP6 74 1.020 42.820 21.409 12.502 -99.200 -91.000 PHE 80 1.000 38.012 7.433 8.063 -99.200 -91.000 PHE 87 1.000 40.403 -4.525 2.181 -99.200 -91.000 TRP 109 1.040 13.362 14.766 14.400 -99.200 -91.000 TRP6 109 1.020 11.621 16.047 13.406 -99.200 -91.000 TYR 136 0.840 35.226 -6.221 7.138 -99.200 -91.000 PHE 141 1.000 27.132 -11.930 -2.001 -99.200 -91.000 PHE 144 1.000 21.114 -10.267 3.790 -99.200 -91.000 TYR 150 0.840 38.650 -5.524 20.783 -99.200 -91.000 TYR 162 0.840 52.703 0.146 30.307 -99.200 -91.000 HIS 164 0.900 46.083 -5.129 31.395 -99.200 -91.000 TYR 172 0.840 34.646 -8.063 21.519 -99.200 -91.000 HIS 173 0.900 30.934 -0.654 20.131 -99.200 -91.000 TYR 178 0.840 17.708 -7.737 2.104 -99.200 -91.000 PHE 183 1.000 9.592 -2.400 1.083 -99.200 -91.000 PHE 184 1.000 15.388 1.771 6.588 -99.200 -91.000 TYR 187 0.840 22.136 -6.667 16.175 -99.200 -91.000 PHE 191 1.000 29.083 -8.730 26.195 -99.200 -91.000 TYR 194 0.840 33.843 -7.171 34.154 -99.200 -91.000 HIS 212 0.900 26.107 4.989 39.842 -99.200 -91.000 TYR 217 0.840 26.005 -0.811 28.180 -99.200 -91.000 HIS 220 0.900 21.298 -7.189 21.738 -99.200 -91.000 TYR 226 0.840 9.203 2.338 0.283 -99.200 -91.000 TYR 232 0.840 13.144 7.716 6.629 -99.200 -91.000 TYR 239 0.840 16.952 -5.994 26.534 -99.200 -91.000 HIS 255 0.900 21.471 -1.521 36.829 -99.200 -91.000 TYR 266 0.840 4.704 11.815 -0.071 -99.200 -91.000 PHE 268 1.000 3.202 16.363 0.493 -99.200 -91.000 TYR 277 0.840 5.179 7.597 20.572 -99.200 -91.000 HIS 279 0.900 6.543 4.524 26.077 -99.200 -91.000 PHE 281 1.000 7.660 -0.070 25.920 -99.200 -91.000 TYR 293 0.840 16.563 5.469 34.745 -99.200 -91.000 TYR 295 0.840 11.947 8.318 25.944 -99.200 -91.000 TYR 304 0.840 11.362 25.762 0.318 -99.200 -91.000 PHE 306 1.000 15.841 28.664 1.200 -99.200 -91.000 TRP 318 1.040 4.618 18.540 20.584 -99.200 -91.000 TRP6 318 1.020 3.954 20.803 20.709 -99.200 -91.000 HIS 339 0.900 25.957 25.929 2.058 -99.200 -91.000 PHE 341 1.000 31.829 23.505 4.634 -99.200 -91.000