============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 10 1.000 26.271 25.728 14.837 -99.200 -91.000 PHE 26 1.000 43.498 6.653 21.477 -99.200 -91.000 PHE 39 1.000 28.981 13.606 16.805 -99.200 -91.000 TYR 52 0.840 43.510 11.791 32.932 -99.200 -91.000 TYR 54 0.840 51.557 18.341 35.275 -99.200 -91.000 PHE 59 1.000 54.185 20.494 32.016 -99.200 -91.000 PHE 61 1.000 52.168 18.209 27.172 -99.200 -91.000 TRP 70 1.040 41.345 8.474 15.730 -99.200 -91.000 TRP6 70 1.020 39.237 9.516 15.816 -99.200 -91.000 HIS 79 0.900 36.271 23.330 23.860 -99.200 -91.000 HIS 81 0.900 36.401 19.345 29.836 -99.200 -91.000 TRP 85 1.040 36.899 20.827 36.527 -99.200 -91.000 TRP6 85 1.020 36.635 18.477 36.339 -99.200 -91.000 HIS 86 0.900 35.871 21.946 40.982 -99.200 -91.000 TYR 89 0.840 38.450 13.649 38.515 -99.200 -91.000 TRP 94 1.040 51.261 21.972 39.221 -99.200 -91.000 TRP6 94 1.020 49.664 23.713 39.351 -99.200 -91.000 PHE 102 1.000 48.189 26.857 43.290 -99.200 -91.000 PHE 106 1.000 47.027 29.329 37.500 -99.200 -91.000 HIS 109 0.900 48.480 22.575 33.782 -99.200 -91.000 HIS 116 0.900 52.640 19.189 23.606 -99.200 -91.000 PHE 117 1.000 47.869 19.248 23.792 -99.200 -91.000 TRP 124 1.040 43.455 25.187 24.958 -99.200 -91.000 TRP6 124 1.020 43.839 23.165 26.074 -99.200 -91.000 PHE 132 1.000 28.867 27.468 46.814 -99.200 -91.000 TYR 147 0.840 34.273 34.709 41.270 -99.200 -91.000 PHE 152 1.000 43.502 25.360 40.089 -99.200 -91.000 TYR 153 0.840 38.062 32.692 45.579 -99.200 -91.000 PHE 156 1.000 46.658 32.830 41.065 -99.200 -91.000 TYR 161 0.840 40.873 30.660 39.723 -99.200 -91.000 PHE 166 1.000 39.516 32.827 30.024 -99.200 -91.000 TYR 179 0.840 34.505 28.947 23.480 -99.200 -91.000 TYR 180 0.840 33.774 30.369 33.599 -99.200 -91.000 PHE 183 1.000 28.046 22.217 37.514 -99.200 -91.000 PHE 214 1.000 25.272 29.394 28.721 -99.200 -91.000 HIS 217 0.900 26.729 17.745 31.565 -99.200 -91.000 TYR 222 0.840 15.139 22.694 36.603 -99.200 -91.000 TYR 257 0.840 18.660 16.319 41.807 -99.200 -91.000 TYR 265 0.840 10.244 6.490 31.766 -99.200 -91.000 TYR 285 0.840 19.859 15.485 22.798 -99.200 -91.000 TYR 292 0.840 24.593 27.446 19.863 -99.200 -91.000 TRP 307 1.040 30.532 14.884 28.840 -99.200 -91.000 TRP6 307 1.020 32.200 16.276 27.979 -99.200 -91.000 TRP 315 1.040 27.843 12.764 32.643 -99.200 -91.000 TRP6 315 1.020 27.694 14.053 34.601 -99.200 -91.000 TYR 317 0.840 23.959 2.446 30.222 -99.200 -91.000 HIS 319 0.900 21.183 9.768 36.297 -99.200 -91.000 TRP 325 1.040 17.684 4.144 28.460 -99.200 -91.000 TRP6 325 1.020 16.232 4.318 30.313 -99.200 -91.000 PHE 329 1.000 24.711 7.879 16.806 -99.200 -91.000 TYR 339 0.840 21.477 11.480 13.682 -99.200 -91.000