============================================================================= 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 -5.361 4.238 -92.824 -99.200 -91.000 HIS 12 0.900 -15.608 3.816 -91.683 -99.200 -91.000 PHE 16 1.000 -18.779 15.301 -83.454 -99.200 -91.000 PHE 21 1.000 -4.582 12.379 -72.446 -99.200 -91.000 HIS 30 0.900 -13.521 11.016 -74.384 -99.200 -91.000 HIS 36 0.900 -15.067 21.754 -88.088 -99.200 -91.000 PHE 42 1.000 -5.058 16.660 -85.313 -99.200 -91.000 PHE 43 1.000 -2.805 13.421 -88.777 -99.200 -91.000 PHE 49 1.000 -3.359 17.934 -72.847 -99.200 -91.000 TRP 57 1.040 0.529 13.421 -66.443 -99.200 -91.000 TRP6 57 1.020 -0.506 13.220 -68.554 -99.200 -91.000 PHE 79 1.000 -18.194 0.088 -77.489 -99.200 -91.000 PHE 80 1.000 -17.544 7.676 -78.425 -99.200 -91.000 TYR 100 0.840 4.861 15.503 -68.807 -99.200 -91.000 TYR 114 0.840 18.374 0.675 -72.080 -99.200 -91.000 PHE 126 1.000 5.887 -6.848 -72.331 -99.200 -91.000 PHE 132 1.000 -13.645 -9.395 -68.833 -99.200 -91.000 PHE 133 1.000 -14.492 -11.437 -60.618 -99.200 -91.000 PHE 135 1.000 -18.724 -8.057 -60.154 -99.200 -91.000 PHE 140 1.000 -17.916 2.182 -55.076 -99.200 -91.000 HIS 148 0.900 -22.146 1.086 -48.560 -99.200 -91.000 TRP 158 1.040 -24.633 -13.063 -54.104 -99.200 -91.000 TRP6 158 1.020 -22.460 -12.926 -55.013 -99.200 -91.000 TYR 164 0.840 -33.022 -13.363 -59.356 -99.200 -91.000 HIS 171 0.900 -29.796 -24.848 -64.316 -99.200 -91.000 TYR 179 0.840 -11.116 -22.895 -66.254 -99.200 -91.000 PHE 180 1.000 -12.581 -23.645 -69.866 -99.200 -91.000 HIS 209 0.900 -15.911 -16.415 -75.923 -99.200 -91.000 HIS 210 0.900 -11.038 -18.708 -70.423 -99.200 -91.000 HIS 211 0.900 -17.791 -17.810 -65.904 -99.200 -91.000 PHE 225 1.000 2.892 -12.543 -80.840 -99.200 -91.000 TYR 238 0.840 -9.152 -7.575 -72.897 -99.200 -91.000 TYR 240 0.840 -14.090 2.790 -75.472 -99.200 -91.000 HIS 243 0.900 -13.908 -0.727 -67.878 -99.200 -91.000 HIS 247 0.900 -23.239 1.694 -69.756 -99.200 -91.000 PHE 249 1.000 -24.398 -7.653 -74.836 -99.200 -91.000 PHE 255 1.000 -10.802 -4.943 -67.637 -99.200 -91.000 PHE 261 1.000 -11.828 -13.992 -47.682 -99.200 -91.000 HIS 269 0.900 -1.925 -15.340 -65.179 -99.200 -91.000 HIS 271 0.900 1.918 -16.399 -71.896 -99.200 -91.000 PHE 282 1.000 13.183 -14.159 -73.741 -99.200 -91.000 TYR 287 0.840 13.213 -25.905 -66.241 -99.200 -91.000 TYR 296 0.840 22.655 -14.638 -68.009 -99.200 -91.000 TYR 297 0.840 12.925 -10.230 -70.115 -99.200 -91.000 HIS 304 0.900 16.114 -5.062 -61.048 -99.200 -91.000 TYR 319 0.840 0.485 -5.224 -53.252 -99.200 -91.000 TYR 326 0.840 -8.094 -17.602 -52.527 -99.200 -91.000 TYR 334 0.840 13.995 -20.715 -63.512 -99.200 -91.000 PHE 360 1.000 5.371 -10.124 -60.740 -99.200 -91.000 TYR 368 0.840 0.599 2.774 -72.917 -99.200 -91.000 PHE 371 1.000 2.233 -4.543 -71.156 -99.200 -91.000 HIS 387 0.900 22.012 -19.269 -63.387 -99.200 -91.000 TYR 397 0.840 -0.892 -21.600 -54.087 -99.200 -91.000 PHE 427 1.000 14.440 -2.154 -62.555 -99.200 -91.000 PHE 434 1.000 9.752 3.875 -65.929 -99.200 -91.000 TYR 442 0.840 3.152 4.430 -60.479 -99.200 -91.000 HIS 458 0.900 -11.813 -4.502 -44.075 -99.200 -91.000 PHE 462 1.000 -16.117 -0.766 -37.190 -99.200 -91.000 TYR 465 0.840 -9.144 -5.937 -34.124 -99.200 -91.000 TYR 466 0.840 -19.182 -2.213 -31.196 -99.200 -91.000