============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 16.200 -14.050 33.927 -99.200 -91.000 TYR 31 0.840 31.183 -14.769 38.252 -99.200 -91.000 TYR 36 0.840 27.953 -18.322 33.273 -99.200 -91.000 TYR 37 0.840 26.040 -17.177 25.466 -99.200 -91.000 PHE 38 1.000 21.361 -14.702 31.857 -99.200 -91.000 TRP 40 1.040 14.447 -11.429 29.160 -99.200 -91.000 TRP6 40 1.020 16.782 -11.111 29.298 -99.200 -91.000 TYR 42 0.840 7.629 -12.507 20.267 -99.200 -91.000 PHE 57 1.000 19.609 -8.841 19.061 -99.200 -91.000 PHE 66 1.000 33.528 -6.718 16.029 -99.200 -91.000 TYR 89 0.840 48.816 5.039 5.086 -99.200 -91.000 TRP 90 1.040 41.928 9.352 -0.808 -99.200 -91.000 TRP6 90 1.020 39.893 9.909 0.256 -99.200 -91.000 TRP 98 1.040 41.788 16.809 4.256 -99.200 -91.000 TRP6 98 1.020 40.978 15.149 5.739 -99.200 -91.000 HIS 105 0.900 45.485 14.549 14.500 -99.200 -91.000 TYR 109 0.840 35.225 8.974 17.563 -99.200 -91.000 PHE 131 1.000 31.956 14.294 3.825 -99.200 -91.000 TYR 132 0.840 36.108 12.071 4.272 -99.200 -91.000 TRP 135 1.040 35.613 18.750 7.693 -99.200 -91.000 TRP6 135 1.020 37.839 18.339 8.379 -99.200 -91.000 TRP 139 1.040 36.769 23.008 16.966 -99.200 -91.000 TRP6 139 1.020 35.579 20.964 17.097 -99.200 -91.000 TYR 147 0.840 30.237 8.661 18.761 -99.200 -91.000 PHE 155 1.000 42.176 3.846 12.076 -99.200 -91.000 PHE 167 1.000 36.426 -2.040 7.427 -99.200 -91.000 PHE 176 1.000 33.943 -9.836 11.398 -99.200 -91.000 HIS 183 0.900 27.214 -18.614 13.198 -99.200 -91.000 TRP 185 1.040 26.779 -12.888 9.403 -99.200 -91.000 TRP6 185 1.020 28.059 -14.474 8.203 -99.200 -91.000 TYR 196 0.840 19.621 -7.999 9.586 -99.200 -91.000 TRP 198 1.040 12.411 -7.719 10.109 -99.200 -91.000 TRP6 198 1.020 12.855 -6.266 8.293 -99.200 -91.000 TYR 200 0.840 10.164 -4.492 15.478 -99.200 -91.000 HIS 207 0.900 16.630 -5.749 8.682 -99.200 -91.000 TYR 218 0.840 26.583 3.518 9.434 -99.200 -91.000 TRP 230 1.040 34.415 -7.396 19.897 -99.200 -91.000 TRP6 230 1.020 36.474 -7.465 18.715 -99.200 -91.000 TYR 256 0.840 45.773 5.564 21.024 -99.200 -91.000 TRP 257 1.040 43.324 11.901 21.290 -99.200 -91.000 TRP6 257 1.020 44.615 13.849 20.940 -99.200 -91.000 TYR 263 0.840 41.939 8.249 30.809 -99.200 -91.000 TRP 268 1.040 37.432 -1.892 22.510 -99.200 -91.000 TRP6 268 1.020 35.294 -2.709 23.128 -99.200 -91.000 TRP 273 1.040 36.302 -1.527 38.594 -99.200 -91.000 TRP6 273 1.020 33.984 -1.157 38.323 -99.200 -91.000 TRP 304 1.040 32.462 0.905 32.213 -99.200 -91.000 TRP6 304 1.020 31.066 -0.506 33.497 -99.200 -91.000 HIS 306 0.900 31.674 3.091 28.254 -99.200 -91.000 PHE 314 1.000 18.492 -4.153 15.094 -99.200 -91.000 TYR 317 0.840 27.218 -0.034 27.835 -99.200 -91.000 PHE 320 1.000 36.502 -5.068 27.453 -99.200 -91.000 TYR 336 0.840 17.850 0.073 25.661 -99.200 -91.000 TRP 346 1.040 28.394 0.796 38.078 -99.200 -91.000 TRP6 346 1.020 27.367 0.661 40.197 -99.200 -91.000