============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. PHE 7 1.000 22.088 7.380 30.271 -99.200 -91.000 TRP 16 1.040 27.250 11.227 37.251 -99.200 -91.000 TRP6 16 1.020 26.685 13.336 36.347 -99.200 -91.000 HIS 21 0.900 22.839 6.079 35.477 -99.200 -91.000 TYR 22 0.840 29.093 1.824 28.252 -99.200 -91.000 PHE 32 1.000 17.905 -2.339 32.121 -99.200 -91.000 TYR 38 0.840 18.812 16.483 23.355 -99.200 -91.000 PHE 60 1.000 15.735 9.992 18.569 -99.200 -91.000 PHE 66 1.000 16.194 11.192 24.426 -99.200 -91.000 HIS 84 0.900 18.134 16.401 37.723 -99.200 -91.000 TYR 85 0.840 10.710 23.391 36.601 -99.200 -91.000 PHE 94 1.000 8.677 18.746 23.311 -99.200 -91.000 TYR 103 0.840 9.927 0.660 33.558 -99.200 -91.000 PHE 105 1.000 17.825 5.391 37.138 -99.200 -91.000 TRP 108 1.040 19.404 13.267 46.414 -99.200 -91.000 TRP6 108 1.020 17.198 13.948 46.939 -99.200 -91.000 TYR 121 0.840 4.919 12.212 42.617 -99.200 -91.000 TYR 142 0.840 29.545 -3.286 52.781 -99.200 -91.000 TYR 154 0.840 19.626 -11.979 63.855 -99.200 -91.000 TRP 169 1.040 36.455 17.684 46.553 -99.200 -91.000 TRP6 169 1.020 38.646 17.972 47.410 -99.200 -91.000 TYR 170 0.840 29.899 21.176 48.920 -99.200 -91.000 TYR 172 0.840 38.710 25.635 57.152 -99.200 -91.000 TYR 181 0.840 27.393 22.694 38.290 -99.200 -91.000 TYR 183 0.840 32.616 24.127 45.034 -99.200 -91.000 PHE 196 1.000 20.708 15.274 56.855 -99.200 -91.000 HIS 198 0.900 22.781 10.042 47.390 -99.200 -91.000 TYR 205 0.840 15.498 0.639 51.980 -99.200 -91.000 TYR 210 0.840 9.053 7.728 55.761 -99.200 -91.000 PHE 211 1.000 15.082 11.475 61.102 -99.200 -91.000 PHE 219 1.000 26.796 25.838 62.312 -99.200 -91.000 HIS 246 0.900 29.922 20.961 61.120 -99.200 -91.000 PHE 249 1.000 18.477 15.540 61.147 -99.200 -91.000 PHE 264 1.000 26.366 13.969 57.185 -99.200 -91.000 HIS 279 0.900 25.225 3.526 70.028 -99.200 -91.000 TYR 297 0.840 31.311 -2.969 67.423 -99.200 -91.000 TYR 298 0.840 27.427 -10.743 68.462 -99.200 -91.000 TYR 308 0.840 28.365 -8.356 54.705 -99.200 -91.000 HIS 309 0.900 35.808 -4.625 53.510 -99.200 -91.000 TYR 313 0.840 29.280 -3.791 46.006 -99.200 -91.000 HIS 321 0.900 25.036 -5.027 37.923 -99.200 -91.000 TYR 324 0.840 20.657 1.296 34.883 -99.200 -91.000 PHE 330 1.000 7.760 -2.841 38.998 -99.200 -91.000 HIS 331 0.900 9.727 -4.351 32.073 -99.200 -91.000 PHE 332 1.000 12.478 -8.008 31.438 -99.200 -91.000 PHE 344 1.000 7.548 0.295 43.065 -99.200 -91.000 PHE 349 1.000 10.299 3.455 56.207 -99.200 -91.000 PHE 351 1.000 14.522 -6.111 53.619 -99.200 -91.000 PHE 354 1.000 11.810 0.462 40.507 -99.200 -91.000 HIS 364 0.900 14.347 17.573 46.422 -99.200 -91.000 TYR 371 0.840 19.306 24.051 53.240 -99.200 -91.000 HIS 387 0.900 0.797 10.933 56.868 -99.200 -91.000 TYR 388 0.840 -0.388 15.981 56.473 -99.200 -91.000