============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 72 rings ring int. center anis. iso. TYR 6 0.840 -14.692 -19.209 -10.032 -99.200 -91.000 PHE 29 1.000 18.268 -12.169 -21.353 -99.200 -91.000 PHE 43 1.000 14.564 -8.403 -22.934 -99.200 -91.000 PHE 46 1.000 13.352 -1.952 -22.254 -99.200 -91.000 HIS 50 0.900 12.469 1.806 -24.204 -99.200 -91.000 HIS 53 0.900 17.935 -1.699 -26.424 -99.200 -91.000 TRP 60 1.040 15.248 -13.534 -29.579 -99.200 -91.000 TRP6 60 1.020 14.370 -12.482 -27.667 -99.200 -91.000 TYR 66 0.840 17.787 -20.566 -41.041 -99.200 -91.000 TYR 85 0.840 17.498 -8.584 -39.063 -99.200 -91.000 PHE 93 1.000 26.136 -3.565 -39.183 -99.200 -91.000 PHE 96 1.000 23.460 -6.448 -31.388 -99.200 -91.000 PHE 114 1.000 21.358 -17.387 -40.263 -99.200 -91.000 HIS 124 0.900 23.271 -5.987 -27.366 -99.200 -91.000 PHE 130 1.000 17.696 -9.057 -17.108 -99.200 -91.000 PHE 133 1.000 11.849 -6.468 -18.703 -99.200 -91.000 TYR 138 0.840 7.337 -1.906 -21.471 -99.200 -91.000 PHE 139 1.000 11.613 -6.612 -12.476 -99.200 -91.000 PHE 142 1.000 8.251 -11.619 -14.894 -99.200 -91.000 TRP 145 1.040 0.815 -9.829 -16.527 -99.200 -91.000 TRP6 145 1.020 -1.247 -10.910 -16.952 -99.200 -91.000 TRP 147 1.040 0.175 -10.223 -5.633 -99.200 -91.000 TRP6 147 1.020 -2.174 -10.215 -5.942 -99.200 -91.000 TRP 157 1.040 -9.794 -20.297 -8.941 -99.200 -91.000 TRP6 157 1.020 -9.238 -18.343 -10.123 -99.200 -91.000 PHE 158 1.000 -8.305 -25.761 -12.324 -99.200 -91.000 PHE 161 1.000 -15.460 -30.909 -20.315 -99.200 -91.000 PHE 169 1.000 -2.775 -45.004 -5.761 -99.200 -91.000 PHE 173 1.000 -13.606 -36.662 -12.856 -99.200 -91.000 TYR 184 0.840 -5.127 -26.585 -18.112 -99.200 -91.000 TYR 200 0.840 0.823 -40.465 1.852 -99.200 -91.000 HIS 214 0.900 8.591 -26.184 -17.220 -99.200 -91.000 PHE 217 1.000 8.420 -33.745 -28.855 -99.200 -91.000 TYR 223 0.840 -3.845 -24.101 -12.888 -99.200 -91.000 PHE 225 1.000 -7.057 -28.490 -7.705 -99.200 -91.000 TYR 245 0.840 -8.866 -47.122 -28.514 -99.200 -91.000 HIS 246 0.900 -5.181 -44.193 -31.620 -99.200 -91.000 TYR 248 0.840 -2.141 -54.617 -29.235 -99.200 -91.000 PHE 257 1.000 0.392 -47.367 -34.280 -99.200 -91.000 PHE 264 1.000 4.916 -37.493 -36.133 -99.200 -91.000 TYR 265 0.840 2.315 -42.355 -33.201 -99.200 -91.000 HIS 275 0.900 12.779 -31.215 -21.620 -99.200 -91.000 HIS 277 0.900 16.691 -40.795 -20.897 -99.200 -91.000 TYR 283 0.840 8.072 -42.882 -18.827 -99.200 -91.000 TYR 320 0.840 11.245 -56.053 -9.856 -99.200 -91.000 PHE 326 1.000 6.455 -52.634 -22.050 -99.200 -91.000 TYR 337 0.840 17.935 -49.079 -12.722 -99.200 -91.000 PHE 339 1.000 20.222 -40.656 -17.690 -99.200 -91.000 TYR 343 0.840 17.636 -43.991 -24.522 -99.200 -91.000 PHE 344 1.000 15.164 -54.514 -22.878 -99.200 -91.000 TYR 351 0.840 9.018 -57.276 -31.693 -99.200 -91.000 PHE 360 1.000 11.613 -59.720 -24.428 -99.200 -91.000 TYR 383 0.840 13.878 -57.976 -34.466 -99.200 -91.000 PHE 387 1.000 9.415 -55.596 -36.267 -99.200 -91.000 PHE 394 1.000 15.796 -46.799 -33.200 -99.200 -91.000 PHE 409 1.000 21.351 -38.404 -22.170 -99.200 -91.000 HIS 420 0.900 19.299 -47.279 -36.819 -99.200 -91.000 PHE 423 1.000 14.829 -42.211 -35.460 -99.200 -91.000 TRP 428 1.040 16.097 -36.449 -35.896 -99.200 -91.000 TRP6 428 1.020 14.840 -37.577 -34.264 -99.200 -91.000 PHE 440 1.000 -5.288 -42.355 -36.586 -99.200 -91.000 TYR 448 0.840 -9.851 -42.028 -31.802 -99.200 -91.000 PHE 450 1.000 -11.174 -45.557 -8.708 -99.200 -91.000 PHE 458 1.000 -6.528 -38.788 5.304 -99.200 -91.000 PHE 465 1.000 2.485 -36.942 0.148 -99.200 -91.000 PHE 466 1.000 -3.086 -36.182 2.081 -99.200 -91.000 PHE 469 1.000 0.276 -34.191 -5.313 -99.200 -91.000 TRP 478 1.040 -1.746 -18.723 -14.200 -99.200 -91.000 TRP6 478 1.020 -1.168 -16.436 -14.188 -99.200 -91.000 PHE 488 1.000 0.738 -10.418 -21.732 -99.200 -91.000 TRP 494 1.040 -0.338 3.524 -20.724 -99.200 -91.000 TRP6 494 1.020 0.908 3.316 -18.742 -99.200 -91.000