============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 14 0.840 19.418 -6.150 35.336 -99.200 -91.000 TYR 15 0.840 20.727 -8.923 27.152 -99.200 -91.000 PHE 38 1.000 21.189 3.031 19.924 -99.200 -91.000 HIS 45 0.900 35.873 -7.153 21.417 -99.200 -91.000 PHE 47 1.000 35.911 -10.903 25.294 -99.200 -91.000 HIS 49 0.900 27.564 -14.320 21.564 -99.200 -91.000 TYR 51 0.840 30.246 -7.136 12.739 -99.200 -91.000 TYR 52 0.840 24.531 0.075 12.357 -99.200 -91.000 TYR 60 0.840 25.829 4.773 8.396 -99.200 -91.000 TYR 68 0.840 38.021 8.228 24.674 -99.200 -91.000 TYR 71 0.840 30.749 3.969 28.677 -99.200 -91.000 TRP 76 1.040 31.920 3.117 23.467 -99.200 -91.000 TRP6 76 1.020 31.231 4.804 21.962 -99.200 -91.000 HIS 89 0.900 9.742 -8.678 22.473 -99.200 -91.000 PHE 108 1.000 31.121 -0.712 25.937 -99.200 -91.000 PHE 109 1.000 31.567 -4.178 22.465 -99.200 -91.000 TRP 115 1.040 25.994 -6.293 27.601 -99.200 -91.000 TRP6 115 1.020 27.702 -4.745 27.071 -99.200 -91.000 TYR 123 0.840 17.880 14.481 31.973 -99.200 -91.000 PHE 136 1.000 16.044 5.268 21.241 -99.200 -91.000 PHE 137 1.000 12.694 8.270 27.051 -99.200 -91.000 HIS 145 0.900 1.210 11.652 18.863 -99.200 -91.000 PHE 150 1.000 14.163 5.983 31.496 -99.200 -91.000 HIS 168 0.900 -0.235 2.273 38.684 -99.200 -91.000 TYR 171 0.840 3.933 0.925 41.690 -99.200 -91.000 TRP 176 1.040 7.257 7.078 49.766 -99.200 -91.000 TRP6 176 1.020 6.725 8.956 51.094 -99.200 -91.000 TYR 177 0.840 7.099 10.156 41.877 -99.200 -91.000 TRP 184 1.040 24.668 16.506 36.028 -99.200 -91.000 TRP6 184 1.020 27.004 16.609 36.362 -99.200 -91.000 TYR 185 0.840 26.919 11.827 34.835 -99.200 -91.000 TYR 186 0.840 17.975 10.001 34.210 -99.200 -91.000 TYR 207 0.840 25.743 10.799 54.225 -99.200 -91.000 TYR 209 0.840 34.233 15.124 46.996 -99.200 -91.000 PHE 228 1.000 34.777 1.206 50.600 -99.200 -91.000 PHE 244 1.000 33.023 -12.099 56.561 -99.200 -91.000 PHE 248 1.000 33.335 -9.678 51.724 -99.200 -91.000 TRP 249 1.040 35.508 -6.423 55.029 -99.200 -91.000 TRP6 249 1.020 33.165 -6.381 55.294 -99.200 -91.000 TRP 257 1.040 29.556 -18.042 54.793 -99.200 -91.000 TRP6 257 1.020 29.207 -15.952 53.750 -99.200 -91.000 TRP 264 1.040 21.210 -14.893 52.982 -99.200 -91.000 TRP6 264 1.020 22.394 -13.696 51.329 -99.200 -91.000 PHE 267 1.000 27.564 -10.396 55.744 -99.200 -91.000 TYR 273 0.840 16.688 7.676 56.422 -99.200 -91.000 PHE 283 1.000 12.103 8.771 48.613 -99.200 -91.000 TYR 292 0.840 25.053 -5.321 52.115 -99.200 -91.000 TYR 307 0.840 26.661 -14.973 48.422 -99.200 -91.000 PHE 309 1.000 31.242 -4.659 50.930 -99.200 -91.000 PHE 328 1.000 14.522 -0.624 46.674 -99.200 -91.000 TYR 329 0.840 7.915 0.358 38.118 -99.200 -91.000 PHE 332 1.000 15.697 6.058 36.018 -99.200 -91.000 PHE 341 1.000 14.686 5.403 43.965 -99.200 -91.000 HIS 347 0.900 9.240 -8.146 48.074 -99.200 -91.000 HIS 349 0.900 10.380 -11.569 50.161 -99.200 -91.000 PHE 352 1.000 14.216 -14.653 60.735 -99.200 -91.000 PHE 361 1.000 11.822 7.797 57.820 -99.200 -91.000 TYR 371 0.840 31.516 18.876 47.582 -99.200 -91.000