============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 21.990 24.685 10.088 -99.200 -91.000 TYR 31 0.840 6.693 23.947 6.037 -99.200 -91.000 TYR 36 0.840 10.753 20.267 10.764 -99.200 -91.000 TYR 37 0.840 12.482 21.629 18.649 -99.200 -91.000 PHE 38 1.000 17.129 24.045 12.200 -99.200 -91.000 TRP 40 1.040 23.993 27.615 14.929 -99.200 -91.000 TRP6 40 1.020 21.645 27.831 14.750 -99.200 -91.000 TYR 42 0.840 30.706 26.305 23.848 -99.200 -91.000 PHE 57 1.000 18.762 30.030 25.028 -99.200 -91.000 PHE 66 1.000 4.746 32.048 27.886 -99.200 -91.000 TYR 89 0.840 -10.974 43.272 38.861 -99.200 -91.000 TRP 90 1.040 -3.980 48.147 44.468 -99.200 -91.000 TRP6 90 1.020 -1.989 48.801 43.371 -99.200 -91.000 TRP 98 1.040 -4.248 55.492 39.307 -99.200 -91.000 TRP6 98 1.020 -3.482 53.809 37.832 -99.200 -91.000 HIS 105 0.900 -7.886 53.026 29.009 -99.200 -91.000 TYR 109 0.840 2.352 47.620 26.211 -99.200 -91.000 PHE 131 1.000 5.726 53.288 39.597 -99.200 -91.000 TYR 132 0.840 1.550 50.824 39.290 -99.200 -91.000 TRP 135 1.040 1.951 57.519 35.904 -99.200 -91.000 TRP6 135 1.020 -0.257 57.063 35.187 -99.200 -91.000 TRP 139 1.040 0.655 61.827 26.626 -99.200 -91.000 TRP6 139 1.020 1.913 59.825 26.568 -99.200 -91.000 TYR 147 0.840 7.258 47.385 25.373 -99.200 -91.000 PHE 155 1.000 -4.371 42.471 31.555 -99.200 -91.000 PHE 167 1.000 1.616 36.816 36.339 -99.200 -91.000 PHE 176 1.000 4.348 28.966 32.465 -99.200 -91.000 HIS 183 0.900 11.198 20.183 30.738 -99.200 -91.000 TRP 185 1.040 11.265 25.908 34.684 -99.200 -91.000 TRP6 185 1.020 9.980 24.344 35.906 -99.200 -91.000 TYR 196 0.840 18.572 30.880 34.461 -99.200 -91.000 TRP 198 1.040 25.783 31.281 34.078 -99.200 -91.000 TRP6 198 1.020 25.271 32.742 35.865 -99.200 -91.000 TYR 200 0.840 28.042 34.435 28.695 -99.200 -91.000 HIS 207 0.900 21.504 33.250 35.333 -99.200 -91.000 TYR 218 0.840 11.472 42.449 34.273 -99.200 -91.000 TRP 230 1.040 3.951 31.289 24.048 -99.200 -91.000 TRP6 230 1.020 1.883 31.248 25.199 -99.200 -91.000 TYR 256 0.840 -7.872 43.896 22.689 -99.200 -91.000 TRP 257 1.040 -5.646 50.326 22.387 -99.200 -91.000 TRP6 257 1.020 -6.987 52.236 22.753 -99.200 -91.000 TYR 263 0.840 -3.916 46.731 12.622 -99.200 -91.000 TRP 268 1.040 0.735 36.667 21.347 -99.200 -91.000 TRP6 268 1.020 2.861 35.880 20.674 -99.200 -91.000 TRP 273 1.040 2.343 37.099 5.165 -99.200 -91.000 TRP6 273 1.020 4.645 37.508 5.530 -99.200 -91.000 TRP 309 1.040 5.973 39.658 11.758 -99.200 -91.000 TRP6 309 1.020 7.422 38.204 10.583 -99.200 -91.000 HIS 311 0.900 6.578 41.843 15.795 -99.200 -91.000 PHE 319 1.000 19.713 34.735 28.902 -99.200 -91.000 TYR 322 0.840 11.095 38.699 16.230 -99.200 -91.000 PHE 325 1.000 1.771 33.565 16.395 -99.200 -91.000 TYR 341 0.840 20.271 38.987 18.289 -99.200 -91.000 TRP 351 1.040 9.921 39.479 5.822 -99.200 -91.000 TRP6 351 1.020 10.985 39.282 3.718 -99.200 -91.000