============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 1 1.000 71.134 3.732 11.595 -99.200 -91.000 PHE 7 1.000 56.431 3.627 9.149 -99.200 -91.000 HIS 21 0.900 51.797 2.697 26.853 -99.200 -91.000 PHE 31 1.000 57.530 5.770 20.529 -99.200 -91.000 TRP 32 1.040 63.754 9.533 15.315 -99.200 -91.000 TRP6 32 1.020 64.474 10.366 13.295 -99.200 -91.000 HIS 43 0.900 41.877 14.845 19.913 -99.200 -91.000 PHE 48 1.000 56.293 4.856 15.175 -99.200 -91.000 PHE 61 1.000 49.659 -2.425 16.384 -99.200 -91.000 TYR 69 0.840 51.127 3.790 7.574 -99.200 -91.000 PHE 84 1.000 78.914 13.631 8.196 -99.200 -91.000 HIS 93 0.900 85.432 24.584 13.863 -99.200 -91.000 TYR 95 0.840 83.130 28.783 13.618 -99.200 -91.000 TYR 98 0.840 75.843 18.462 11.226 -99.200 -91.000 TRP 101 1.040 85.536 15.899 22.532 -99.200 -91.000 TRP6 101 1.020 84.662 17.925 23.226 -99.200 -91.000 TRP 107 1.040 85.990 26.421 17.437 -99.200 -91.000 TRP6 107 1.020 84.326 26.626 19.059 -99.200 -91.000 PHE 128 1.000 80.919 5.927 33.160 -99.200 -91.000 TYR 134 0.840 88.269 21.397 27.335 -99.200 -91.000 PHE 149 1.000 75.697 27.274 31.616 -99.200 -91.000 PHE 154 1.000 71.677 19.319 29.041 -99.200 -91.000 HIS 155 0.900 68.337 14.930 25.090 -99.200 -91.000 TRP 159 1.040 75.485 14.497 15.371 -99.200 -91.000 TRP6 159 1.020 76.664 13.618 13.551 -99.200 -91.000 PHE 164 1.000 72.760 29.068 18.150 -99.200 -91.000 TRP 167 1.040 76.375 30.976 12.969 -99.200 -91.000 TRP6 167 1.020 77.253 30.159 10.958 -99.200 -91.000 PHE 168 1.000 76.505 33.489 21.419 -99.200 -91.000 TYR 176 0.840 84.366 43.656 21.351 -99.200 -91.000 TYR 178 0.840 84.694 45.070 12.681 -99.200 -91.000 HIS 181 0.900 71.582 46.848 19.761 -99.200 -91.000 PHE 185 1.000 73.302 42.089 22.925 -99.200 -91.000 PHE 191 1.000 76.279 36.591 25.449 -99.200 -91.000 TYR 192 0.840 79.662 32.073 32.789 -99.200 -91.000 TYR 202 0.840 79.174 15.474 18.613 -99.200 -91.000 TYR 204 0.840 77.544 4.210 21.291 -99.200 -91.000 TRP 206 1.040 80.581 12.778 15.218 -99.200 -91.000 TRP6 206 1.020 81.227 13.358 13.087 -99.200 -91.000 TRP 212 1.040 73.879 6.785 23.203 -99.200 -91.000 TRP6 212 1.020 73.079 4.743 23.937 -99.200 -91.000 PHE 233 1.000 70.429 19.135 34.866 -99.200 -91.000 TRP 237 1.040 65.960 12.434 39.325 -99.200 -91.000 TRP6 237 1.020 65.804 10.479 40.523 -99.200 -91.000 TYR 251 0.840 68.199 4.923 34.496 -99.200 -91.000 PHE 268 1.000 80.157 27.858 35.459 -99.200 -91.000 TYR 278 0.840 69.872 26.414 31.475 -99.200 -91.000 HIS 282 0.900 67.671 19.757 24.565 -99.200 -91.000 TYR 284 0.840 62.370 16.053 14.712 -99.200 -91.000 TYR 290 0.840 56.829 30.110 28.720 -99.200 -91.000 TYR 292 0.840 57.702 25.482 37.082 -99.200 -91.000 TYR 294 0.840 58.789 20.813 38.418 -99.200 -91.000 TYR 296 0.840 49.442 19.377 32.893 -99.200 -91.000 TYR 320 0.840 67.476 32.239 6.122 -99.200 -91.000 TYR 324 0.840 62.143 27.928 15.904 -99.200 -91.000 TYR 326 0.840 54.859 31.757 21.403 -99.200 -91.000 TYR 334 0.840 51.760 13.445 28.991 -99.200 -91.000 TRP 343 1.040 68.386 22.414 39.425 -99.200 -91.000 TRP6 343 1.020 70.407 23.426 38.755 -99.200 -91.000 TYR 345 0.840 61.054 30.147 36.458 -99.200 -91.000 TYR 351 0.840 64.176 37.307 32.180 -99.200 -91.000 PHE 353 1.000 63.012 32.202 27.246 -99.200 -91.000 PHE 355 1.000 65.922 29.596 21.896 -99.200 -91.000 PHE 363 1.000 66.304 16.835 5.022 -99.200 -91.000 PHE 365 1.000 66.185 13.424 16.782 -99.200 -91.000 TYR 385 0.840 63.092 40.421 21.286 -99.200 -91.000 TYR 389 0.840 62.545 41.241 28.320 -99.200 -91.000 HIS 393 0.900 63.390 43.990 30.789 -99.200 -91.000