============================================================================= 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 -13.861 -9.085 2.743 -99.200 -91.000 HIS 12 0.900 -23.676 -7.505 -0.028 -99.200 -91.000 PHE 16 1.000 -26.771 -18.623 -8.774 -99.200 -91.000 PHE 21 1.000 -10.748 -17.436 -17.326 -99.200 -91.000 HIS 30 0.900 -19.668 -15.043 -16.836 -99.200 -91.000 HIS 36 0.900 -24.613 -25.418 -3.668 -99.200 -91.000 PHE 42 1.000 -13.774 -21.524 -4.747 -99.200 -91.000 PHE 43 1.000 -11.752 -18.534 -0.932 -99.200 -91.000 PHE 49 1.000 -10.248 -23.090 -16.789 -99.200 -91.000 TRP 57 1.040 -4.891 -19.105 -22.439 -99.200 -91.000 TRP6 57 1.020 -6.223 -18.770 -20.520 -99.200 -91.000 PHE 79 1.000 -23.502 -3.628 -14.414 -99.200 -91.000 PHE 80 1.000 -23.881 -11.231 -13.461 -99.200 -91.000 TYR 100 0.840 -1.262 -21.648 -19.430 -99.200 -91.000 TYR 114 0.840 13.151 -8.433 -13.878 -99.200 -91.000 PHE 126 1.000 1.728 0.468 -15.564 -99.200 -91.000 PHE 132 1.000 -16.568 5.200 -22.130 -99.200 -91.000 PHE 133 1.000 -15.843 7.255 -30.354 -99.200 -91.000 PHE 135 1.000 -20.304 4.377 -31.526 -99.200 -91.000 PHE 140 1.000 -19.863 -5.930 -36.511 -99.200 -91.000 HIS 148 0.900 -22.836 -4.414 -43.610 -99.200 -91.000 TRP 158 1.040 -24.552 9.973 -38.397 -99.200 -91.000 TRP6 158 1.020 -22.584 9.596 -37.152 -99.200 -91.000 TYR 164 0.840 -33.587 11.275 -34.560 -99.200 -91.000 HIS 171 0.900 -29.912 22.357 -29.030 -99.200 -91.000 TYR 179 0.840 -12.133 18.301 -24.134 -99.200 -91.000 PHE 180 1.000 -14.065 19.244 -20.797 -99.200 -91.000 HIS 209 0.900 -19.130 12.493 -15.427 -99.200 -91.000 HIS 210 0.900 -13.206 14.167 -20.049 -99.200 -91.000 HIS 211 0.900 -19.201 14.008 -25.603 -99.200 -91.000 PHE 225 1.000 -1.928 6.541 -7.590 -99.200 -91.000 TYR 238 0.840 -13.024 2.913 -17.415 -99.200 -91.000 TYR 240 0.840 -19.462 -6.797 -15.772 -99.200 -91.000 HIS 243 0.900 -17.661 -3.389 -23.203 -99.200 -91.000 HIS 247 0.900 -27.387 -4.712 -22.873 -99.200 -91.000 PHE 249 1.000 -28.274 4.749 -17.953 -99.200 -91.000 PHE 255 1.000 -14.097 0.442 -22.899 -99.200 -91.000 PHE 261 1.000 -10.860 9.379 -42.667 -99.200 -91.000 HIS 269 0.900 -3.813 9.736 -23.793 -99.200 -91.000 HIS 271 0.900 -1.004 10.406 -16.536 -99.200 -91.000 PHE 282 1.000 9.487 6.910 -12.925 -99.200 -91.000 TYR 287 0.840 12.063 18.511 -20.205 -99.200 -91.000 TYR 296 0.840 19.750 6.256 -17.054 -99.200 -91.000 TYR 297 0.840 9.369 3.006 -16.585 -99.200 -91.000 HIS 304 0.900 13.364 -2.570 -25.072 -99.200 -91.000 TYR 319 0.840 -0.685 -0.691 -35.278 -99.200 -91.000 TYR 326 0.840 -7.567 12.580 -37.249 -99.200 -91.000 TYR 334 0.840 12.677 13.243 -22.825 -99.200 -91.000 PHE 360 1.000 3.460 3.683 -27.053 -99.200 -91.000 TYR 368 0.840 -4.649 -8.481 -15.932 -99.200 -91.000 PHE 371 1.000 -1.929 -1.414 -17.333 -99.200 -91.000 HIS 387 0.900 20.391 10.890 -21.673 -99.200 -91.000 TYR 397 0.840 -0.300 15.742 -34.511 -99.200 -91.000 PHE 427 1.000 11.150 -5.255 -23.884 -99.200 -91.000 PHE 434 1.000