============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 2 0.840 32.614 -2.027 46.559 -99.200 -91.000 TYR 12 0.840 22.641 -5.320 20.518 -99.200 -91.000 TRP 37 1.040 10.088 -2.447 28.028 -99.200 -91.000 TRP6 37 1.020 8.008 -1.397 27.723 -99.200 -91.000 PHE 47 1.000 8.058 -5.341 23.933 -99.200 -91.000 TRP 59 1.040 12.569 8.114 27.940 -99.200 -91.000 TRP6 59 1.020 12.634 6.432 29.592 -99.200 -91.000 PHE 60 1.000 8.984 9.314 31.082 -99.200 -91.000 PHE 71 1.000 2.162 12.571 9.320 -99.200 -91.000 TRP 73 1.040 -0.326 5.017 3.084 -99.200 -91.000 TRP6 73 1.020 1.906 5.597 2.476 -99.200 -91.000 TYR 84 0.840 4.360 3.577 30.593 -99.200 -91.000 TYR 93 0.840 21.037 15.015 20.562 -99.200 -91.000 TYR 99 0.840 13.476 8.271 15.521 -99.200 -91.000 TYR 122 0.840 33.996 1.320 6.155 -99.200 -91.000 PHE 123 1.000 37.094 -4.219 12.910 -99.200 -91.000 TYR 136 0.840 36.262 -9.545 10.132 -99.200 -91.000 TYR 139 0.840 37.621 -11.509 20.832 -99.200 -91.000 PHE 140 1.000 33.081 -8.830 13.528 -99.200 -91.000 HIS 151 0.900 22.349 -17.254 8.368 -99.200 -91.000 TRP 156 1.040 7.938 -19.122 4.551 -99.200 -91.000 TRP6 156 1.020 8.405 -17.028 5.505 -99.200 -91.000 PHE 157 1.000 13.073 -13.289 0.095 -99.200 -91.000 TRP 162 1.040 2.955 -13.036 5.536 -99.200 -91.000 TRP6 162 1.020 1.839 -11.266 6.653 -99.200 -91.000 TYR 163 0.840 10.282 -11.454 4.356 -99.200 -91.000 PHE 165 1.000 9.289 -6.220 2.406 -99.200 -91.000 PHE 182 1.000 17.925 -14.498 0.628 -99.200 -91.000 TYR 187 0.840 10.530 -12.390 14.350 -99.200 -91.000 PHE 189 1.000 14.743 -14.669 9.147 -99.200 -91.000 TYR 191 0.840 6.906 -17.413 16.868 -99.200 -91.000 TYR 211 0.840 5.746 2.092 18.133 -99.200 -91.000 HIS 215 0.900 4.021 -13.825 20.817 -99.200 -91.000 TYR 224 0.840 26.084 -11.615 24.254 -99.200 -91.000 HIS 240 0.900 17.264 1.919 40.526 -99.200 -91.000 TYR 253 0.840 36.144 5.258 38.422 -99.200 -91.000 TYR 276 0.840 37.477 -4.259 38.892 -99.200 -91.000 PHE 278 1.000 33.581 -3.258 32.982 -99.200 -91.000 TRP 310 1.040 26.819 10.672 17.087 -99.200 -91.000 TRP6 310 1.020 25.320 11.440 15.440 -99.200 -91.000 HIS 323 0.900 7.222 1.000 -13.754 -99.200 -91.000 TRP 325 1.040 4.471 -2.885 -14.656 -99.200 -91.000 TRP6 325 1.020 3.859 -0.813 -15.658 -99.200 -91.000 HIS 331 0.900 -2.049 -8.798 4.254 -99.200 -91.000 TRP 343 1.040 30.827 -0.256 2.182 -99.200 -91.000 TRP6 343 1.020 29.908 1.555 3.341 -99.200 -91.000 PHE 351 1.000 24.464 -3.947 3.872 -99.200 -91.000 TRP 364 1.040 0.879 -0.088 -6.792 -99.200 -91.000 TRP6 364 1.020 -1.279 0.423 -6.108 -99.200 -91.000 TYR 368 0.840 14.552 1.069 -1.895 -99.200 -91.000 PHE 380 1.000 26.737 13.305 21.254 -99.200 -91.000 TYR 382 0.840 27.557 19.787 31.007 -99.200 -91.000 TRP 393 1.040 24.440 15.867 11.759 -99.200 -91.000 TRP6 393 1.020 26.286 14.693 10.909 -99.200 -91.000 PHE 409 1.000 18.029 3.435 -3.155 -99.200 -91.000 TYR 420 0.840 14.708 9.274 -5.899 -99.200 -91.000 TYR 422 0.840 10.519 13.950 -5.445 -99.200 -91.000 PHE 425 1.000 11.116 10.146 4.168 -99.200 -91.000 PHE 432 1.000 17.369 10.875 -1.926 -99.200 -91.000 PHE 436 1.000 16.724 8.146 9.300 -99.200 -91.000 TYR 438 0.840 15.338 4.270 12.451 -99.200 -91.000 HIS 439 0.900 21.803 1.640 11.626 -99.200 -91.000 TYR 453 0.840 42.673 -4.408 23.894 -99.200 -91.000 TYR 459 0.840 39.538 9.814 35.330 -99.200 -91.000 TYR 463 0.840 37.613 -1.090 32.555 -99.200 -91.000 PHE 479 1.000 21.905 -6.756 16.179 -99.200 -91.000