============================================================================= 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 -88.486 12.869 -3.879 -99.200 -91.000 HIS 12 0.900 -78.376 11.083 -4.923 -99.200 -91.000 PHE 16 1.000 -73.825 21.414 -13.992 -99.200 -91.000 PHE 21 1.000 -88.318 19.449 -24.827 -99.200 -91.000 HIS 30 0.900 -79.612 17.133 -22.737 -99.200 -91.000 HIS 36 0.900 -76.685 28.618 -9.890 -99.200 -91.000 PHE 42 1.000 -87.262 24.616 -12.325 -99.200 -91.000 PHE 43 1.000 -89.889 21.960 -8.635 -99.200 -91.000 PHE 49 1.000 -88.835 25.127 -24.862 -99.200 -91.000 TRP 57 1.040 -93.280 20.655 -30.923 -99.200 -91.000 TRP6 57 1.020 -92.270 20.490 -28.796 -99.200 -91.000 PHE 79 1.000 -76.330 5.980 -18.773 -99.200 -91.000 PHE 80 1.000 -76.023 13.638 -18.426 -99.200 -91.000 TYR 100 0.840 -97.309 23.438 -28.751 -99.200 -91.000 TYR 114 0.840 -112.557 10.711 -24.428 -99.200 -91.000 PHE 126 1.000 -101.108 1.729 -23.525 -99.200 -91.000 PHE 132 1.000 -82.061 -3.500 -26.700 -99.200 -91.000 PHE 133 1.000 -81.507 -6.259 -34.729 -99.200 -91.000 PHE 135 1.000 -76.886 -3.480 -35.426 -99.200 -91.000 PHE 140 1.000 -76.427 6.358 -41.282 -99.200 -91.000 HIS 148 0.900 -72.392 4.243 -47.669 -99.200 -91.000 TRP 158 1.040 -71.672 -9.636 -41.038 -99.200 -91.000 TRP6 158 1.020 -73.808 -9.159 -40.155 -99.200 -91.000 TYR 164 0.840 -63.367 -10.576 -35.729 -99.200 -91.000 HIS 171 0.900 -67.986 -21.151 -29.919 -99.200 -91.000 TYR 179 0.840 -86.267 -16.737 -28.249 -99.200 -91.000 PHE 180 1.000 -84.894 -17.383 -24.580 -99.200 -91.000 HIS 209 0.900 -80.664 -10.180 -19.078 -99.200 -91.000 HIS 210 0.900 -85.805 -12.264 -24.415 -99.200 -91.000 HIS 211 0.900 -79.010 -12.567 -28.948 -99.200 -91.000 PHE 225 1.000 -98.817 -3.622 -14.586 -99.200 -91.000 TYR 238 0.840 -86.277 -0.825 -22.815 -99.200 -91.000 TYR 240 0.840 -80.071 9.009 -21.016 -99.200 -91.000 HIS 243 0.900 -80.720 4.968 -28.318 -99.200 -91.000 HIS 247 0.900 -71.152 6.342 -26.576 -99.200 -91.000 PHE 249 1.000 -71.152 -2.658 -20.786 -99.200 -91.000 PHE 255 1.000 -84.329 1.167 -28.252 -99.200 -91.000 PHE 261 1.000 -84.517 -9.450 -47.445 -99.200 -91.000 HIS 269 0.900 -94.445 -8.198 -29.955 -99.200 -91.000 HIS 271 0.900 -98.366 -8.248 -23.201 -99.200 -91.000 PHE 282 1.000 -109.255 -4.483 -21.600 -99.200 -91.000 TYR 287 0.840 -110.782 -16.675 -28.175 -99.200 -91.000 TYR 296 0.840 -118.734 -4.215 -27.334 -99.200 -91.000 TYR 297 0.840 -108.522 -0.908 -25.516 -99.200 -91.000 HIS 304 0.900 -111.073 3.904 -34.972 -99.200 -91.000 TYR 319 0.840 -95.616 1.191 -42.640 -99.200 -91.000 TYR 326 0.840 -88.655 -12.181 -42.359 -99.200 -91.000 TYR 334 0.840 -110.919 -11.655 -31.299 -99.200 -91.000 PHE 360 1.000 -101.049 -2.469 -34.827 -99.200 -91.000 TYR 368 0.840 -94.656 10.632 -23.650 -99.200 -91.000 PHE 371 1.000 -97.199 3.462 -24.852 -99.200 -91.000 HIS 387 0.900 -118.692 -9.232 -31.583 -99.200 -91.000 TYR 397 0.840 -96.294 -15.116 -40.540 -99.200 -91.000 PHE 427 1.000 -109.044 6.688 -33.684 -99.200 -91.000 PHE 434 1.000 -103.626 12.325 -30.756 -99.200 -91.000 TYR 442 0.840 -97.028 11.630 -36.193 -99.200 -91.000 HIS 458 0.900 -83.358 -0.339 -51.772 -99.200 -91.000 PHE 462 1.000 -78.648 2.288 -58.898 -99.200 -91.000 TYR 465 0.840 -86.224 -2.192 -61.599 -99.200 -91.000 TYR 466 0.840 -75.810 0.012 -64.745 -99.200 -91.000