============================================================================= 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. PHE 10 1.000 -10.481 12.522 -42.341 -99.200 -91.000 PHE 39 1.000 -8.372 7.577 -29.451 -99.200 -91.000 PHE 41 1.000 -5.294 11.686 -34.133 -99.200 -91.000 TYR 50 0.840 -4.731 11.082 -28.274 -99.200 -91.000 PHE 66 1.000 4.986 3.241 -20.260 -99.200 -91.000 PHE 76 1.000 3.613 22.409 -32.819 -99.200 -91.000 PHE 80 1.000 4.630 30.110 -25.532 -99.200 -91.000 PHE 86 1.000 2.923 22.433 -18.071 -99.200 -91.000 TRP 89 1.040 12.963 16.939 -24.191 -99.200 -91.000 TRP6 89 1.020 11.439 15.291 -24.980 -99.200 -91.000 HIS 91 0.900 16.474 14.092 -22.064 -99.200 -91.000 TRP 95 1.040 12.255 18.665 -14.529 -99.200 -91.000 TRP6 95 1.020 12.646 16.922 -12.970 -99.200 -91.000 HIS 99 0.900 11.626 18.766 -8.808 -99.200 -91.000 PHE 106 1.000 5.489 26.586 -6.117 -99.200 -91.000 TYR 114 0.840 4.071 31.737 -2.028 -99.200 -91.000 HIS 115 0.900 -4.288 33.041 3.899 -99.200 -91.000 TRP 129 1.040 -17.314 39.872 -8.916 -99.200 -91.000 TRP6 129 1.020 -17.290 37.521 -8.560 -99.200 -91.000 HIS 137 0.900 -23.433 40.819 -17.667 -99.200 -91.000 PHE 157 1.000 7.154 35.527 -11.055 -99.200 -91.000 TYR 159 0.840 4.894 43.701 -12.832 -99.200 -91.000 PHE 161 1.000 1.180 40.377 -14.264 -99.200 -91.000 PHE 164 1.000 -9.833 41.691 -9.771 -99.200 -91.000 TYR 165 0.840 -6.689 49.340 -9.482 -99.200 -91.000 HIS 170 0.900 -1.005 43.274 -18.202 -99.200 -91.000 PHE 172 1.000 1.902 37.195 -19.775 -99.200 -91.000 TYR 197 0.840 -0.341 26.762 -42.480 -99.200 -91.000 PHE 204 1.000 4.269 30.728 -31.480 -99.200 -91.000 HIS 235 0.900 13.186 30.582 -2.784 -99.200 -91.000 TYR 255 0.840 13.713 29.826 -22.566 -99.200 -91.000 PHE 260 1.000 7.164 28.217 -11.739 -99.200 -91.000 HIS 265 0.900 -2.839 33.501 -16.089 -99.200 -91.000 PHE 274 1.000 -14.322 23.956 -17.157 -99.200 -91.000 TYR 277 0.840 -21.488 24.755 -16.218 -99.200 -91.000 PHE 278 1.000 -19.260 20.974 -13.618 -99.200 -91.000 HIS 284 0.900 -31.229 20.772 -3.747 -99.200 -91.000 TYR 304 0.840 -1.813 28.073 5.467 -99.200 -91.000 TYR 312 0.840 -19.819 20.103 -0.221 -99.200 -91.000 TRP 324 1.040 -15.912 19.678 -18.235 -99.200 -91.000 TRP6 324 1.020 -15.303 18.732 -20.327 -99.200 -91.000 PHE 330 1.000 -0.451 12.672 -17.298 -99.200 -91.000 TYR 333 0.840 10.695 9.254 -23.065 -99.200 -91.000 TYR 344 0.840 -3.873 -2.826 -26.289 -99.200 -91.000 HIS 360 0.900 -9.711 13.198 -13.797 -99.200 -91.000 TRP 366 1.040 -13.935 8.234 -11.273 -99.200 -91.000 TRP6 366 1.020 -13.221 9.480 -9.376 -99.200 -91.000 PHE 373 1.000 -19.545 19.911 -9.092 -99.200 -91.000 PHE 378 1.000 -12.842 13.934 -5.828 -99.200 -91.000 HIS 387 0.900 -0.584 5.998 -10.571 -99.200 -91.000 PHE 389 1.000 -8.956 14.122 -8.744 -99.200 -91.000 PHE 392 1.000 -3.697 19.746 -9.222 -99.200 -91.000 PHE 404 1.000 0.414 30.438 -5.734 -99.200 -91.000 HIS 407 0.900 -4.161 28.492 1.242 -99.200 -91.000 HIS 419 0.900 -17.773 38.662 2.047 -99.200 -91.000 PHE 420 1.000 -20.214 39.056 -3.837 -99.200 -91.000 PHE 422 1.000 -21.604 33.891 -6.646 -99.200 -91.000 HIS 425 0.900 -27.167 36.860 -15.776 -99.200 -91.000 TYR 428 0.840 -22.117 29.376 -19.993 -99.200 -91.000 PHE 443 1.000 -20.377 30.440 -15.272 -99.200 -91.000