============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 25 1.000 17.139 4.674 54.179 -99.200 -91.000 TRP 34 1.040 15.114 0.979 68.586 -99.200 -91.000 TRP6 34 1.020 13.191 1.795 67.490 -99.200 -91.000 TRP 49 1.040 21.451 12.918 69.414 -99.200 -91.000 TRP6 49 1.020 21.988 10.664 69.974 -99.200 -91.000 TRP 55 1.040 11.323 8.077 64.290 -99.200 -91.000 TRP6 55 1.020 9.006 7.810 63.941 -99.200 -91.000 HIS 63 0.900 20.643 -3.451 71.033 -99.200 -91.000 TYR 64 0.840 23.385 -5.846 65.656 -99.200 -91.000 TRP 65 1.040 25.297 3.376 61.428 -99.200 -91.000 TRP6 65 1.020 25.880 5.341 62.567 -99.200 -91.000 HIS 69 0.900 29.557 3.285 49.207 -99.200 -91.000 HIS 71 0.900 32.830 6.025 47.258 -99.200 -91.000 TYR 72 0.840 31.624 12.821 50.155 -99.200 -91.000 HIS 74 0.900 27.046 6.233 50.558 -99.200 -91.000 TYR 80 0.840 31.854 13.857 63.541 -99.200 -91.000 TRP 100 1.040 35.785 3.642 58.075 -99.200 -91.000 TRP6 100 1.020 34.155 2.060 58.701 -99.200 -91.000 TRP 129 1.040 37.629 8.968 60.830 -99.200 -91.000 TRP6 129 1.020 35.584 8.421 59.768 -99.200 -91.000 TRP 142 1.040 22.164 -16.001 55.183 -99.200 -91.000 TRP6 142 1.020 20.295 -14.892 54.224 -99.200 -91.000 HIS 149 0.900 13.776 -6.459 60.945 -99.200 -91.000 HIS 157 0.900 34.288 -5.856 46.147 -99.200 -91.000 HIS 159 0.900 29.713 3.966 43.956 -99.200 -91.000 HIS 163 0.900 28.088 -0.291 47.440 -99.200 -91.000 PHE 166 1.000 24.785 -4.006 54.683 -99.200 -91.000 TYR 167 0.840 17.422 -10.621 49.569 -99.200 -91.000 PHE 175 1.000 18.100 -1.336 54.228 -99.200 -91.000 PHE 183 1.000 14.565 6.595 40.743 -99.200 -91.000 TRP 190 1.040 18.203 2.434 38.843 -99.200 -91.000 TRP6 190 1.020 18.482 2.923 41.131 -99.200 -91.000 PHE 195 1.000 31.544 7.601 40.635 -99.200 -91.000 TYR 201 0.840 27.897 0.055 38.274 -99.200 -91.000 HIS 221 0.900 23.661 9.406 48.029 -99.200 -91.000 TYR 238 0.840 24.238 -5.934 32.790 -99.200 -91.000 TRP 250 1.040 27.714 7.533 17.768 -99.200 -91.000 TRP6 250 1.020 27.885 6.328 15.762 -99.200 -91.000 HIS 266 0.900 29.280 19.398 36.670 -99.200 -91.000 TRP 269 1.040 22.970 12.293 34.339 -99.200 -91.000 TRP6 269 1.020 24.341 10.460 33.784 -99.200 -91.000 PHE 276 1.000 24.673 13.901 47.639 -99.200 -91.000 HIS 282 0.900 28.027 15.041 38.870 -99.200 -91.000