============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. HIS 4 0.900 -22.861 28.932 0.407 -99.200 -91.000 HIS 12 0.900 -29.207 21.060 -1.653 -99.200 -91.000 PHE 16 1.000 -21.195 11.971 -9.583 -99.200 -91.000 PHE 21 1.000 -14.060 25.521 -19.419 -99.200 -91.000 HIS 30 0.900 -20.656 19.128 -18.344 -99.200 -91.000 HIS 36 0.900 -14.254 10.854 -4.341 -99.200 -91.000 PHE 42 1.000 -12.095 22.019 -6.459 -99.200 -91.000 PHE 43 1.000 -13.646 25.619 -2.964 -99.200 -91.000 PHE 49 1.000 -8.938 23.138 -18.652 -99.200 -91.000 TRP 57 1.040 -9.638 29.226 -24.892 -99.200 -91.000 TRP6 57 1.020 -10.607 28.431 -22.893 -99.200 -91.000 PHE 79 1.000 -32.438 21.842 -16.178 -99.200 -91.000 PHE 80 1.000 -26.085 17.757 -14.834 -99.200 -91.000 TYR 100 0.840 -5.607 31.329 -22.060 -99.200 -91.000 TYR 114 0.840 -9.667 50.889 -18.305 -99.200 -91.000 PHE 126 1.000 -23.137 45.443 -19.510 -99.200 -91.000 PHE 132 1.000 -36.505 31.543 -24.833 -99.200 -91.000 PHE 133 1.000 -37.895 32.445 -33.178 -99.200 -91.000 PHE 135 1.000 -37.683 27.055 -33.854 -99.200 -91.000 PHE 140 1.000 -28.576 21.756 -38.357 -99.200 -91.000 HIS 148 0.900 -31.384 19.318 -45.265 -99.200 -91.000 TRP 158 1.040 -44.652 25.610 -40.631 -99.200 -91.000 TRP6 158 1.020 -43.329 27.222 -39.528 -99.200 -91.000 TYR 164 0.840 -50.372 18.875 -36.159 -99.200 -91.000 HIS 171 0.900 -58.054 28.147 -31.477 -99.200 -91.000 TYR 179 0.840 -45.529 41.792 -27.809 -99.200 -91.000 PHE 180 1.000 -47.327 40.920 -24.379 -99.200 -91.000 HIS 209 0.900 -44.096 33.657 -18.308 -99.200 -91.000 HIS 210 0.900 -42.520 39.157 -23.458 -99.200 -91.000 HIS 211 0.900 -45.423 33.422 -28.507 -99.200 -91.000 PHE 225 1.000 -30.235 46.119 -11.575 -99.200 -91.000 TYR 238 0.840 -32.740 33.860 -20.308 -99.200 -91.000 TYR 240 0.840 -27.654 23.577 -17.697 -99.200 -91.000 HIS 243 0.900 -29.662 26.160 -25.401 -99.200 -91.000 HIS 247 0.900 -33.468 17.180 -24.242 -99.200 -91.000 PHE 249 1.000 -42.073 21.662 -19.729 -99.200 -91.000 PHE 255 1.000 -31.150 31.183 -25.565 -99.200 -91.000 PHE 261 1.000 -37.173 36.656 -45.933 -99.200 -91.000 HIS 269 0.900 -33.924 44.623 -27.713 -99.200 -91.000 HIS 271 0.900 -33.083 48.042 -20.741 -99.200 -91.000 PHE 282 1.000 -24.743 55.601 -17.805 -99.200 -91.000 TYR 287 0.840 -33.414 63.010 -25.815 -99.200 -91.000 TYR 296 0.840 -18.957 63.689 -22.694 -99.200 -91.000 TYR 297 0.840 -21.436 53.186 -21.252 -99.200 -91.000 HIS 304 0.900 -14.592 53.006 -29.750 -99.200 -91.000 TYR 319 0.840 -23.339 40.967 -38.894 -99.200 -91.000 TYR 326 0.840 -38.263 41.600 -40.952 -99.200 -91.000 TYR 334 0.840 -28.562 60.627 -28.218 -99.200 -91.000 PHE 360 1.000 -25.010 47.494 -31.242 -99.200 -91.000 TYR 368 0.840 -18.672 35.412 -18.943 -99.200 -91.000 PHE 371 1.000 -23.373 41.191 -20.893 -99.200 -91.000 HIS 387 0.900 -22.615 66.158 -27.567 -99.200 -91.000 TYR 397 0.840 -37.296 49.684 -38.952 -99.200 -91.000 PHE 427 1.000 -13.408 49.858 -28.262 -99.200 -91.000 PHE 434 1.000 -11.703 42.348 -25.036 -99.200 -91.000 TYR 442 0.840 -14.704 36.980 -31.016 -99.200 -91.000 HIS 458 0.900 -29.270 31.112 -49.077 -99.200 -91.000 PHE 462 1.000 -28.236 25.724 -56.133 -99.200 -91.000 TYR 465 0.840 -27.922 34.528 -58.809 -99.200 -91.000 TYR 466 0.840 -30.677 24.404 -62.434 -99.200 -91.000