============================================================================= 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 -79.434 -25.062 -1.507 -99.200 -91.000 HIS 12 0.900 -72.805 -17.359 -3.294 -99.200 -91.000 PHE 16 1.000 -79.460 -9.113 -13.164 -99.200 -91.000 PHE 21 1.000 -85.080 -23.578 -22.675 -99.200 -91.000 HIS 30 0.900 -78.692 -17.055 -21.202 -99.200 -91.000 HIS 36 0.900 -87.115 -7.578 -9.171 -99.200 -91.000 PHE 42 1.000 -88.986 -18.910 -10.548 -99.200 -91.000 PHE 43 1.000 -88.006 -22.157 -6.539 -99.200 -91.000 PHE 49 1.000 -90.247 -21.180 -22.924 -99.200 -91.000 TRP 57 1.040 -88.633 -27.813 -28.392 -99.200 -91.000 TRP6 57 1.020 -87.977 -26.828 -26.350 -99.200 -91.000 PHE 79 1.000 -67.394 -19.453 -17.020 -99.200 -91.000 PHE 80 1.000 -73.856 -15.317 -17.047 -99.200 -91.000 TYR 100 0.840 -93.061 -29.680 -26.026 -99.200 -91.000 TYR 114 0.840 -89.730 -48.772 -19.897 -99.200 -91.000 PHE 126 1.000 -76.204 -43.342 -19.530 -99.200 -91.000 PHE 132 1.000 -62.105 -29.876 -24.014 -99.200 -91.000 PHE 133 1.000 -59.459 -31.534 -31.928 -99.200 -91.000 PHE 135 1.000 -59.537 -26.232 -33.126 -99.200 -91.000 PHE 140 1.000 -67.818 -21.452 -39.439 -99.200 -91.000 HIS 148 0.900 -63.974 -19.640 -46.033 -99.200 -91.000 TRP 158 1.040 -51.605 -25.358 -38.863 -99.200 -91.000 TRP6 158 1.020 -53.090 -26.873 -37.830 -99.200 -91.000 TYR 164 0.840 -46.600 -18.188 -34.214 -99.200 -91.000 HIS 171 0.900 -39.775 -26.919 -27.573 -99.200 -91.000 TYR 179 0.840 -52.788 -40.276 -24.612 -99.200 -91.000 PHE 180 1.000 -51.530 -39.075 -21.043 -99.200 -91.000 HIS 209 0.900 -55.613 -31.310 -16.238 -99.200 -91.000 HIS 210 0.900 -56.412 -37.277 -21.035 -99.200 -91.000 HIS 211 0.900 -52.739 -32.008 -26.092 -99.200 -91.000 PHE 225 1.000 -70.407 -43.218 -10.575 -99.200 -91.000 TYR 238 0.840 -66.530 -31.798 -19.922 -99.200 -91.000 TYR 240 0.840 -71.900 -21.362 -19.084 -99.200 -91.000 HIS 243 0.900 -68.750 -24.629 -26.118 -99.200 -91.000 HIS 247 0.900 -65.118 -15.548 -25.229 -99.200 -91.000 PHE 249 1.000 -57.329 -19.517 -19.057 -99.200 -91.000 PHE 255 1.000 -67.283 -29.633 -25.585 -99.200 -91.000 PHE 261 1.000 -58.244 -36.913 -44.198 -99.200 -91.000 HIS 269 0.900 -64.286 -43.189 -26.028 -99.200 -91.000 HIS 271 0.900 -66.202 -45.955 -18.980 -99.200 -91.000 PHE 282 1.000 -74.933 -53.284 -16.664 -99.200 -91.000 TYR 287 0.840 -65.180 -61.325 -22.533 -99.200 -91.000 TYR 296 0.840 -79.948 -61.840 -21.609 -99.200 -91.000 TYR 297 0.840 -77.661 -51.228 -20.785 -99.200 -91.000 HIS 304 0.900 -83.124 -51.895 -30.209 -99.200 -91.000 TYR 319 0.840 -73.016 -40.677 -38.985 -99.200 -91.000 TYR 326 0.840 -57.956 -41.365 -38.671 -99.200 -91.000 TYR 334 0.840 -69.594 -59.218 -25.860 -99.200 -91.000 PHE 360 1.000 -72.570 -46.453 -30.596 -99.200 -91.000 TYR 368 0.840 -80.649 -33.341 -20.585 -99.200 -91.000 PHE 371 1.000 -75.737 -39.235 -21.249 -99.200 -91.000 HIS 387 0.900 -75.601 -64.717 -25.615 -99.200 -91.000 TYR 397 0.840 -59.262 -49.238 -36.101 -99.200 -91.000 PHE 427 1.000 -84.504 -48.633 -29.218 -99.200 -91.000 PHE 434 1.000 -86.642 -40.873 -27.001 -99.200 -91.000 TYR 442 0.840 -82.733 -36.054 -32.924 -99.200 -91.000 HIS 458 0.900 -65.543 -31.754 -49.012 -99.200 -91.000 PHE 462 1.000 -65.457 -27.051 -56.612 -99.200 -91.000 TYR 465 0.840 -65.406 -36.067 -58.478 -99.200 -91.000 TYR 466 0.840 -62.075 -26.298 -62.562 -99.200 -91.000