============================================================================= 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 -57.611 -39.157 -94.799 -99.200 -91.000 HIS 12 0.900 -53.070 -30.080 -92.936 -99.200 -91.000 PHE 16 1.000 -42.957 -33.094 -83.020 -99.200 -91.000 PHE 21 1.000 -54.196 -43.904 -73.634 -99.200 -91.000 HIS 30 0.900 -50.630 -35.489 -75.041 -99.200 -91.000 HIS 36 0.900 -38.565 -39.546 -87.019 -99.200 -91.000 PHE 42 1.000 -48.309 -45.647 -85.734 -99.200 -91.000 PHE 43 1.000 -51.658 -45.974 -89.766 -99.200 -91.000 PHE 49 1.000 -49.994 -47.749 -73.379 -99.200 -91.000 TRP 57 1.040 -56.770 -48.844 -67.958 -99.200 -91.000 TRP6 57 1.020 -56.100 -47.849 -69.990 -99.200 -91.000 PHE 79 1.000 -57.172 -25.966 -79.215 -99.200 -91.000 PHE 80 1.000 -50.865 -30.335 -79.172 -99.200 -91.000 TYR 100 0.840 -56.771 -53.638 -70.349 -99.200 -91.000 TYR 114 0.840 -75.634 -57.890 -76.616 -99.200 -91.000 PHE 126 1.000 -75.835 -43.315 -76.909 -99.200 -91.000 PHE 132 1.000 -68.871 -25.138 -72.288 -99.200 -91.000 PHE 133 1.000 -71.469 -23.377 -64.380 -99.200 -91.000 PHE 135 1.000 -66.554 -21.411 -63.142 -99.200 -91.000 PHE 140 1.000 -58.991 -27.244 -56.812 -99.200 -91.000 HIS 148 0.900 -58.840 -23.032 -50.196 -99.200 -91.000 TRP 158 1.040 -68.840 -13.785 -57.380 -99.200 -91.000 TRP6 158 1.020 -69.660 -15.734 -58.427 -99.200 -91.000 TYR 164 0.840 -64.125 -6.380 -61.962 -99.200 -91.000 HIS 171 0.900 -74.770 -3.413 -68.653 -99.200 -91.000 TYR 179 0.840 -82.062 -20.552 -71.747 -99.200 -91.000 PHE 180 1.000 -81.417 -18.911 -75.303 -99.200 -91.000 HIS 209 0.900 -72.649 -19.660 -80.059 -99.200 -91.000 HIS 210 0.900 -77.876 -22.722 -75.309 -99.200 -91.000 HIS 211 0.900 -74.460 -17.329 -70.204 -99.200 -91.000 PHE 225 1.000 -77.899 -37.872 -85.849 -99.200 -91.000 TYR 238 0.840 -68.914 -29.941 -76.405 -99.200 -91.000 TYR 240 0.840 -57.210 -30.870 -77.176 -99.200 -91.000 HIS 243 0.900 -61.481 -29.259 -70.160 -99.200 -91.000 HIS 247 0.900 -54.496 -22.403 -70.970 -99.200 -91.000 PHE 249 1.000 -61.123 -16.714 -77.153 -99.200 -91.000 PHE 255 1.000 -66.661 -29.831 -70.727 -99.200 -91.000 PHE 261 1.000 -76.975 -24.393 -52.149 -99.200 -91.000 HIS 269 0.900 -80.327 -32.292 -70.381 -99.200 -91.000 HIS 271 0.900 -82.097 -35.090 -77.455 -99.200 -91.000 PHE 282 1.000 -85.480 -45.959 -79.848 -99.200 -91.000 TYR 287 0.840 -96.695 -40.088 -74.017 -99.200 -91.000 TYR 296 0.840 -91.473 -53.909 -74.981 -99.200 -91.000 TYR 297 0.840 -82.557 -47.705 -75.718 -99.200 -91.000 HIS 304 0.900 -81.125 -53.051 -66.313 -99.200 -91.000 TYR 319 0.840 -74.724 -39.446 -57.426 -99.200 -91.000 TYR 326 0.840 -81.161 -25.814 -57.709 -99.200 -91.000 TYR 334 0.840 -93.070 -43.367 -70.684 -99.200 -91.000 PHE 360 1.000 -80.174 -41.218 -65.858 -99.200 -91.000 TYR 368 0.840 -64.900 -43.567 -75.788 -99.200 -91.000 PHE 371 1.000 -72.235 -41.309 -75.157 -99.200 -91.000 HIS 387 0.900 -95.827 -51.027 -70.986 -99.200 -91.000 TYR 397 0.840 -87.906 -30.040 -60.343 -99.200 -91.000 PHE 427 1.000 -77.577 -53.063 -67.282 -99.200 -91.000 PHE 434 1.000 -69.579 -52.033 -69.444 -99.200 -91.000 TYR 442 0.840 -66.676 -46.600 -63.475 -99.200 -91.000 HIS 458 0.900 -69.432 -29.164 -47.313 -99.200 -91.000 PHE 462 1.000 -65.172 -27.311 -39.677 -99.200 -91.000 TYR 465 0.840 -73.523 -30.748 -37.880 -99.200 -91.000 TYR 466 0.840 -65.817 -23.931 -33.713 -99.200 -91.000