============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 2 1.000 -5.104 -27.827 -43.183 -99.200 -91.000 HIS 18 0.900 32.411 0.041 -36.381 -99.200 -91.000 HIS 29 0.900 27.390 3.503 -24.422 -99.200 -91.000 PHE 32 1.000 35.681 -1.765 -32.369 -99.200 -91.000 PHE 33 1.000 26.381 -2.023 -30.962 -99.200 -91.000 HIS 46 0.900 8.418 -20.715 -42.786 -99.200 -91.000 TYR 77 0.840 5.677 -19.881 -27.831 -99.200 -91.000 PHE 88 1.000 21.576 -23.656 -19.316 -99.200 -91.000 PHE 101 1.000 26.638 -2.584 -18.067 -99.200 -91.000 HIS 108 0.900 19.998 -9.930 -20.778 -99.200 -91.000 HIS 124 0.900 2.853 -23.595 -38.866 -99.200 -91.000 TYR 147 0.840 18.913 6.779 -24.396 -99.200 -91.000 PHE 149 1.000 23.471 7.782 -24.386 -99.200 -91.000 PHE 150 1.000 25.497 16.084 -20.984 -99.200 -91.000 TYR 161 0.840 35.291 6.045 -28.680 -99.200 -91.000 TRP 171 1.040 21.718 10.927 -36.194 -99.200 -91.000 TRP6 171 1.020 21.921 11.387 -33.892 -99.200 -91.000 TYR 172 0.840 23.116 9.246 -41.172 -99.200 -91.000 HIS 176 0.900 29.986 9.015 -35.819 -99.200 -91.000 TYR 193 0.840 11.855 17.993 -35.670 -99.200 -91.000 TYR 196 0.840 17.165 9.026 -37.160 -99.200 -91.000 PHE 198 1.000 13.815 10.387 -32.553 -99.200 -91.000 PHE 201 1.000 13.977 15.423 -29.147 -99.200 -91.000 PHE 224 1.000 13.512 20.002 -30.345 -99.200 -91.000 TRP 237 1.040 21.378 13.717 -9.983 -99.200 -91.000 TRP6 237 1.020 19.596 14.354 -11.385 -99.200 -91.000 TYR 248 0.840 16.334 24.770 -12.502 -99.200 -91.000 TYR 255 0.840 9.561 9.868 -18.754 -99.200 -91.000 PHE 266 1.000 14.501 5.261 4.850 -99.200 -91.000 PHE 275 1.000 12.141 12.615 -7.902 -99.200 -91.000 TRP 292 1.040 6.847 -10.530 -13.150 -99.200 -91.000 TRP6 292 1.020 5.135 -8.996 -13.640 -99.200 -91.000 HIS 297 0.900 8.570 -5.950 -1.640 -99.200 -91.000 HIS 312 0.900 16.536 -6.482 -26.198 -99.200 -91.000 PHE 313 1.000 15.366 -4.855 -17.965 -99.200 -91.000 TRP 314 1.040 11.091 -6.417 -17.249 -99.200 -91.000 TRP6 314 1.020 9.810 -7.004 -15.343 -99.200 -91.000 HIS 327 0.900 -5.260 -0.417 -20.743 -99.200 -91.000 PHE 329 1.000 -2.692 -3.802 -11.222 -99.200 -91.000 TRP 333 1.040 5.410 -1.721 -21.353 -99.200 -91.000 TRP6 333 1.020 5.989 -1.427 -23.614 -99.200 -91.000 HIS 336 0.900 17.193 -0.552 -20.423 -99.200 -91.000 HIS 340 0.900 18.347 -1.200 -30.684 -99.200 -91.000 PHE 341 1.000 24.584 -4.671 -34.726 -99.200 -91.000 PHE 348 1.000 13.413 -1.546 -29.506 -99.200 -91.000 HIS 350 0.900 6.504 -7.395 -34.947 -99.200 -91.000 HIS 365 0.900 20.984 2.893 -26.177 -99.200 -91.000 TRP 366 1.040 17.816 1.975 -35.899 -99.200 -91.000 TRP6 366 1.020 19.438 0.397 -36.469 -99.200 -91.000 TRP 368 1.040 22.952 7.419 -29.869 -99.200 -91.000 TRP6 368 1.020 24.166 9.438 -29.855 -99.200 -91.000 PHE 380 1.000 10.766 -3.666 -38.386 -99.200 -91.000 HIS 408 0.900 31.610 -14.553 -35.444 -99.200 -91.000 TYR 411 0.840 32.355 -11.125 -29.795 -99.200 -91.000 HIS 414 0.900 38.477 -4.718 -33.681 -99.200 -91.000 TYR 427 0.840 42.602 5.161 -23.393 -99.200 -91.000 TRP 432 1.040 35.721 7.366 -13.710 -99.200 -91.000 TRP6 432 1.020 34.237 5.557 -14.133 -99.200 -91.000 PHE 434 1.000 29.150 2.256 -11.319 -99.200 -91.000