============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. HIS 3 0.900 10.275 91.594 68.941 -99.200 -91.000 TYR 13 0.840 2.632 78.320 48.804 -99.200 -91.000 PHE 16 1.000 2.249 85.779 53.504 -99.200 -91.000 TYR 20 0.840 9.106 83.861 44.632 -99.200 -91.000 TYR 33 0.840 20.009 98.874 41.045 -99.200 -91.000 TYR 36 0.840 21.147 96.677 30.827 -99.200 -91.000 TYR 39 0.840 16.334 97.824 41.311 -99.200 -91.000 TRP 48 1.040 24.143 91.037 55.282 -99.200 -91.000 TRP6 48 1.020 24.813 90.491 57.461 -99.200 -91.000 HIS 49 0.900 23.890 95.662 55.529 -99.200 -91.000 TRP 54 1.040 18.288 88.692 67.148 -99.200 -91.000 TRP6 54 1.020 19.342 86.634 67.472 -99.200 -91.000 HIS 57 0.900 25.026 88.663 73.758 -99.200 -91.000 TYR 64 0.840 7.927 90.569 65.561 -99.200 -91.000 TYR 68 0.840 16.401 100.300 54.968 -99.200 -91.000 PHE 70 1.000 9.962 103.464 62.275 -99.200 -91.000 PHE 74 1.000 15.315 106.516 55.887 -99.200 -91.000 PHE 86 1.000 11.692 101.825 52.023 -99.200 -91.000 PHE 88 1.000 12.492 95.259 42.893 -99.200 -91.000 HIS 93 0.900 4.780 97.483 52.589 -99.200 -91.000 PHE 96 1.000 0.783 91.986 46.136 -99.200 -91.000 TRP 98 1.040 -1.960 91.863 51.584 -99.200 -91.000 TRP6 98 1.020 -0.524 90.033 51.888 -99.200 -91.000 PHE 105 1.000 12.020 96.449 54.879 -99.200 -91.000 TRP 123 1.040 9.742 84.769 54.161 -99.200 -91.000 TRP6 123 1.020 7.440 85.286 54.158 -99.200 -91.000 TYR 150 0.840 34.802 92.835 62.938 -99.200 -91.000 PHE 154 1.000 28.845 91.334 62.876 -99.200 -91.000 PHE 155 1.000 28.592 86.876 60.278 -99.200 -91.000 HIS 172 0.900 30.219 89.549 50.454 -99.200 -91.000 HIS 178 0.900 27.431 99.042 44.038 -99.200 -91.000 TYR 184 0.840 36.217 98.103 51.478 -99.200 -91.000 TRP 188 1.040 32.831 90.001 46.828 -99.200 -91.000 TRP6 188 1.020 30.993 91.448 47.009 -99.200 -91.000 PHE 195 1.000 23.113 81.957 46.306 -99.200 -91.000 PHE 199 1.000 33.080 84.802 49.079 -99.200 -91.000 TYR 200 0.840 31.795 79.606 49.365 -99.200 -91.000 TRP 208 1.040 42.236 86.225 45.414 -99.200 -91.000 TRP6 208 1.020 40.519 87.533 44.520 -99.200 -91.000 TRP 220 1.040 43.181 90.718 50.304 -99.200 -91.000 TRP6 220 1.020 45.442 90.029 50.197 -99.200 -91.000 TYR 226 0.840 36.465 87.649 38.637 -99.200 -91.000 TYR 233 0.840 43.493 86.959 50.742 -99.200 -91.000 TYR 241 0.840 35.918 81.834 59.579 -99.200 -91.000 TYR 248 0.840 29.870 75.645 52.408 -99.200 -91.000 PHE 255 1.000 26.989 78.587 48.585 -99.200 -91.000 PHE 256 1.000 22.610 76.454 44.819 -99.200 -91.000 PHE 259 1.000 22.704 81.862 51.059 -99.200 -91.000 PHE 263 1.000 19.099 85.067 52.870 -99.200 -91.000 PHE 273 1.000 8.609 81.974 63.027 -99.200 -91.000 PHE 281 1.000 3.412 80.295 53.994 -99.200 -91.000 PHE 283 1.000 6.617 82.122 49.322 -99.200 -91.000