============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 5 0.840 -3.036 27.431 26.929 -99.200 -91.000 TYR 7 0.840 7.001 30.849 26.130 -99.200 -91.000 HIS 36 0.900 7.135 11.388 18.114 -99.200 -91.000 TRP 54 1.040 33.023 8.352 26.630 -99.200 -91.000 TRP6 54 1.020 33.681 9.248 28.713 -99.200 -91.000 HIS 59 0.900 34.122 -1.202 33.963 -99.200 -91.000 PHE 62 1.000 40.109 4.428 32.892 -99.200 -91.000 HIS 64 0.900 41.200 -3.702 26.550 -99.200 -91.000 HIS 66 0.900 41.317 -6.550 37.034 -99.200 -91.000 TYR 69 0.840 46.890 1.125 37.443 -99.200 -91.000 PHE 71 1.000 43.345 -4.810 41.351 -99.200 -91.000 PHE 78 1.000 28.874 -4.417 26.583 -99.200 -91.000 TRP 80 1.040 23.906 -3.555 22.744 -99.200 -91.000 TRP6 80 1.020 25.447 -2.048 21.842 -99.200 -91.000 TYR 90 0.840 19.926 8.020 33.853 -99.200 -91.000 TYR 98 0.840 13.881 16.299 32.001 -99.200 -91.000 HIS 106 0.900 1.026 24.707 39.617 -99.200 -91.000 HIS 113 0.900 3.216 17.500 13.700 -99.200 -91.000 PHE 116 1.000 3.413 28.064 14.018 -99.200 -91.000 TYR 131 0.840 -4.443 23.473 22.273 -99.200 -91.000 HIS 135 0.900 4.973 36.987 24.183 -99.200 -91.000 HIS 148 0.900 17.637 12.992 -0.543 -99.200 -91.000 PHE 164 1.000 25.079 3.393 19.514 -99.200 -91.000 PHE 165 1.000 21.696 6.366 21.661 -99.200 -91.000 TYR 181 0.840 28.495 15.921 18.773 -99.200 -91.000 HIS 203 0.900 37.884 16.684 2.932 -99.200 -91.000 PHE 210 1.000 35.482 19.794 17.657 -99.200 -91.000 PHE 232 1.000 41.995 12.634 1.478 -99.200 -91.000 TRP 271 1.040 23.562 6.004 6.033 -99.200 -91.000 TRP6 271 1.020 25.244 6.198 4.377 -99.200 -91.000 HIS 296 0.900 19.271 24.455 9.642 -99.200 -91.000 PHE 302 1.000 17.698 41.059 21.644 -99.200 -91.000 TYR 311 0.840 8.949 35.163 20.726 -99.200 -91.000 HIS 335 0.900 14.844 35.246 33.601 -99.200 -91.000 PHE 338 1.000 6.263 34.933 28.907 -99.200 -91.000 TYR 340 0.840 6.952 42.398 31.043 -99.200 -91.000 TYR 348 0.840 23.451 31.365 20.179 -99.200 -91.000 PHE 356 1.000 31.285 13.213 27.219 -99.200 -91.000 HIS 358 0.900 36.318 5.886 24.491 -99.200 -91.000 HIS 373 0.900 39.795 35.932 8.896 -99.200 -91.000 TYR 375 0.840 41.795 38.565 18.703 -99.200 -91.000 TYR 383 0.840 52.221 30.982 26.069 -99.200 -91.000 PHE 387 1.000 50.044 15.919 30.252 -99.200 -91.000 TYR 391 0.840 44.997 4.712 34.108 -99.200 -91.000 HIS 392 0.900 47.379 5.498 29.874 -99.200 -91.000 HIS 418 0.900 41.064 25.244 20.917 -99.200 -91.000 PHE 431 1.000 41.613 25.306 33.215 -99.200 -91.000 PHE 444 1.000 44.033 30.057 31.907 -99.200 -91.000 HIS 451 0.900 52.572 17.179 41.474 -99.200 -91.000