============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TYR 6 0.840 -26.496 -5.137 3.810 -99.200 -91.000 PHE 7 1.000 -23.784 -4.143 -0.714 -99.200 -91.000 PHE 14 1.000 -33.018 2.812 -5.401 -99.200 -91.000 PHE 19 1.000 -36.577 1.033 -9.245 -99.200 -91.000 HIS 22 0.900 -29.259 -9.448 -10.920 -99.200 -91.000 PHE 23 1.000 -24.393 -7.041 -5.269 -99.200 -91.000 PHE 28 1.000 -20.216 -12.274 -12.912 -99.200 -91.000 PHE 50 1.000 -32.923 -7.966 -22.720 -99.200 -91.000 TYR 51 0.840 -34.188 0.564 -23.670 -99.200 -91.000 HIS 62 0.900 -24.279 13.976 -8.432 -99.200 -91.000 TRP 65 1.040 -22.579 18.556 -12.703 -99.200 -91.000 TRP6 65 1.020 -23.408 19.179 -14.826 -99.200 -91.000 PHE 75 1.000 -31.789 22.586 -9.370 -99.200 -91.000 TYR 76 0.840 -32.545 13.265 -15.372 -99.200 -91.000 PHE 97 1.000 -34.648 15.081 -9.333 -99.200 -91.000 TYR 120 0.840 -43.894 24.459 -14.229 -99.200 -91.000 TYR 132 0.840 -49.829 19.871 -8.980 -99.200 -91.000 PHE 143 1.000 -39.699 36.200 -17.045 -99.200 -91.000 HIS 156 0.900 -46.044 30.376 -7.973 -99.200 -91.000 PHE 180 1.000 -39.772 27.075 -25.328 -99.200 -91.000 PHE 206 1.000 -26.418 29.853 -20.632 -99.200 -91.000 HIS 207 0.900 -30.444 23.339 -23.633 -99.200 -91.000 PHE 218 1.000 -22.602 25.331 -22.419 -99.200 -91.000 PHE 229 1.000 -27.307 37.126 -12.745 -99.200 -91.000 PHE 237 1.000 -36.719 42.614 -10.881 -99.200 -91.000 TYR 240 0.840 -31.452 34.640 -5.469 -99.200 -91.000 PHE 248 1.000 -23.394 20.592 -19.875 -99.200 -91.000 PHE 258 1.000 -19.348 16.959 -18.136 -99.200 -91.000 TYR 272 0.840 -18.234 37.422 -19.049 -99.200 -91.000 PHE 273 1.000 -23.017 35.400 -14.204 -99.200 -91.000 TYR 288 0.840 -22.615 14.326 -17.422 -99.200 -91.000 TYR 289 0.840 -26.515 13.789 -13.794 -99.200 -91.000 PHE 294 1.000 -32.159 3.669 -19.317 -99.200 -91.000 PHE 311 1.000 -28.477 -11.649 -46.314 -99.200 -91.000 TYR 313 0.840 -30.362 -9.135 -41.375 -99.200 -91.000 TYR 314 0.840 -38.813 -6.637 -42.342 -99.200 -91.000 TYR 320 0.840 -44.925 4.892 -36.170 -99.200 -91.000 PHE 323 1.000 -33.796 1.634 -32.477 -99.200 -91.000 TYR 328 0.840 -40.702 13.177 -32.470 -99.200 -91.000 HIS 330 0.900 -32.681 16.469 -35.674 -99.200 -91.000 HIS 332 0.900 -26.825 10.881 -37.539 -99.200 -91.000 TYR 347 0.840 -19.046 -7.945 -41.137 -99.200 -91.000 TYR 348 0.840 -23.370 -11.745 -47.109 -99.200 -91.000 TRP 353 1.040 -36.192 -2.563 -43.413 -99.200 -91.000 TRP6 353 1.020 -37.208 -0.816 -44.644 -99.200 -91.000 HIS 373 0.900 -28.708 -17.242 -40.128 -99.200 -91.000 TRP 377 1.040 -31.352 -11.867 -28.454 -99.200 -91.000 TRP6 377 1.020 -33.136 -10.659 -27.448 -99.200 -91.000 PHE 380 1.000 -29.672 -0.827 -32.707 -99.200 -91.000 TYR 386 0.840 -33.627 14.358 -24.854 -99.200 -91.000 PHE 394 1.000 -48.794 3.249 -36.157 -99.200 -91.000 PHE 397 1.000 -45.640 -4.462 -33.112 -99.200 -91.000 TYR 403 0.840 -35.799 -7.201 -17.615 -99.200 -91.000 TYR 404 0.840 -34.250 0.789 -14.191 -99.200 -91.000 TRP 411 1.040 -26.818 0.203 -1.472 -99.200 -91.000 TRP6 411 1.020 -29.072 0.557 -2.098 -99.200 -91.000 PHE 417 1.000 -22.376 11.223 -4.673 -99.200 -91.000