============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. PHE 18 1.000 -38.853 104.292 67.790 -99.200 -91.000 PHE 19 1.000 -44.433 111.128 66.704 -99.200 -91.000 TYR 20 0.840 -38.201 107.959 72.634 -99.200 -91.000 HIS 28 0.900 -47.878 106.585 66.851 -99.200 -91.000 HIS 34 0.900 -35.907 101.267 53.491 -99.200 -91.000 TRP 43 1.040 -24.400 95.527 41.609 -99.200 -91.000 TRP6 43 1.020 -25.254 97.054 40.040 -99.200 -91.000 TYR 44 0.840 -28.865 95.396 50.976 -99.200 -91.000 HIS 46 0.900 -31.687 100.784 51.767 -99.200 -91.000 TYR 56 0.840 -41.669 114.046 53.278 -99.200 -91.000 TYR 70 0.840 -51.219 112.109 74.712 -99.200 -91.000 TRP 90 1.040 -29.511 115.739 47.176 -99.200 -91.000 TRP6 90 1.020 -28.592 114.521 49.012 -99.200 -91.000 TYR 99 0.840 -27.184 103.874 40.760 -99.200 -91.000 TRP 104 1.040 -25.434 99.322 56.139 -99.200 -91.000 TRP6 104 1.020 -24.749 97.281 57.182 -99.200 -91.000 PHE 116 1.000 -8.748 103.896 43.534 -99.200 -91.000 TYR 120 0.840 -3.844 106.095 46.873 -99.200 -91.000 TYR 132 0.840 -5.639 99.010 57.730 -99.200 -91.000 PHE 133 1.000 -7.787 103.282 49.989 -99.200 -91.000 TYR 136 0.840 -19.116 99.293 57.373 -99.200 -91.000 PHE 137 1.000 -16.029 103.681 57.284 -99.200 -91.000 PHE 140 1.000 -12.167 102.308 47.554 -99.200 -91.000 TRP 144 1.040 -19.522 100.993 40.580 -99.200 -91.000 TRP6 144 1.020 -21.721 101.469 39.911 -99.200 -91.000 TRP 169 1.040 -32.813 111.193 50.764 -99.200 -91.000 TRP6 169 1.020 -33.000 112.442 48.760 -99.200 -91.000 PHE 172 1.000 -31.578 118.926 49.305 -99.200 -91.000 TYR 180 0.840 -26.755 122.534 58.292 -99.200 -91.000 TRP 199 1.040 -16.610 117.619 54.357 -99.200 -91.000 TRP6 199 1.020 -17.461 115.442 54.690 -99.200 -91.000 PHE 207 1.000 -11.790 107.038 48.115 -99.200 -91.000 PHE 225 1.000 -27.880 118.890 62.859 -99.200 -91.000 HIS 232 0.900 -44.265 116.088 49.849 -99.200 -91.000 TYR 236 0.840 -44.449 116.369 62.120 -99.200 -91.000 PHE 258 1.000 -23.566 109.426 77.845 -99.200 -91.000 TYR 267 0.840 -26.372 91.055 69.771 -99.200 -91.000 PHE 272 1.000 -23.315 97.598 62.580 -99.200 -91.000 TYR 283 0.840 -4.973 106.350 64.364 -99.200 -91.000 TYR 294 0.840 -20.158 110.816 73.395 -99.200 -91.000 PHE 296 1.000 -23.850 114.729 73.887 -99.200 -91.000 TYR 304 0.840 -11.437 110.930 68.332 -99.200 -91.000 TRP 319 1.040 -30.272 84.932 51.557 -99.200 -91.000 TRP6 319 1.020 -29.952 82.661 52.081 -99.200 -91.000 PHE 347 1.000 -25.846 80.303 56.640 -99.200 -91.000 PHE 351 1.000 -26.275 85.301 53.285 -99.200 -91.000 TYR 355 0.840 -19.343 94.083 56.060 -99.200 -91.000 TRP 359 1.040 -12.064 94.858 58.510 -99.200 -91.000 TRP6 359 1.020 -14.091 95.937 57.962 -99.200 -91.000 TYR 368 0.840 -18.044 75.376 55.080 -99.200 -91.000 PHE 372 1.000 -29.632 62.302 52.268 -99.200 -91.000 HIS 378 0.900 -30.941 70.267 62.860 -99.200 -91.000 PHE 389 1.000 -19.066 79.747 66.894 -99.200 -91.000 HIS 408 0.900 -14.032 94.602 84.978 -99.200 -91.000 PHE 422 1.000 -28.268 85.829 69.040 -99.200 -91.000 PHE 425 1.000 -23.611 79.539 70.535 -99.200 -91.000 TYR 439 0.840 -34.839 103.404 78.379 -99.200 -91.000 TRP 458 1.040 -34.742 115.818 79.692 -99.200 -91.000 TRP6 458 1.020 -34.265 115.116 77.478 -99.200 -91.000 PHE 475 1.000 -29.099 86.601 78.768 -99.200 -91.000 HIS 476 0.900 -23.684 86.620 85.429 -99.200 -91.000 TRP 491 1.040 -16.113 81.167 63.613 -99.200 -91.000 TRP6 491 1.020 -17.932 81.713 62.228 -99.200 -91.000