============================================================================= 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 11 0.840 57.907 33.316 32.179 -99.200 -91.000 TYR 16 0.840 48.158 32.532 22.390 -99.200 -91.000 PHE 17 1.000 53.277 29.386 28.797 -99.200 -91.000 TYR 21 0.840 45.004 16.891 28.954 -99.200 -91.000 PHE 29 1.000 53.490 15.655 27.039 -99.200 -91.000 PHE 33 1.000 47.787 25.691 21.714 -99.200 -91.000 PHE 40 1.000 51.749 17.848 18.911 -99.200 -91.000 TRP 41 1.040 58.850 20.244 18.616 -99.200 -91.000 TRP6 41 1.020 59.919 20.722 20.629 -99.200 -91.000 TYR 46 0.840 62.898 6.360 23.736 -99.200 -91.000 HIS 55 0.900 60.570 22.285 30.009 -99.200 -91.000 PHE 58 1.000 53.849 9.961 24.526 -99.200 -91.000 PHE 66 1.000 55.398 5.938 20.093 -99.200 -91.000 HIS 76 0.900 68.149 23.998 13.298 -99.200 -91.000 TYR 77 0.840 60.458 29.267 19.442 -99.200 -91.000 TYR 88 0.840 51.333 7.658 12.149 -99.200 -91.000 PHE 113 1.000 64.169 29.076 23.482 -99.200 -91.000 PHE 114 1.000 63.576 24.380 22.530 -99.200 -91.000 TYR 116 0.840 67.214 28.079 32.848 -99.200 -91.000 PHE 119 1.000 58.128 26.800 24.662 -99.200 -91.000 TYR 127 0.840 48.393 28.455 4.701 -99.200 -91.000 TYR 134 0.840 59.163 10.811 5.420 -99.200 -91.000 PHE 139 1.000 42.440 24.396 12.024 -99.200 -91.000 HIS 146 0.900 35.273 16.579 6.654 -99.200 -91.000 PHE 153 1.000 44.491 28.954 13.750 -99.200 -91.000 TYR 156 0.840 41.000 38.431 24.345 -99.200 -91.000 TYR 175 0.840 36.715 36.468 24.891 -99.200 -91.000 TYR 176 0.840 34.808 40.605 16.868 -99.200 -91.000 HIS 181 0.900 38.101 46.182 10.096 -99.200 -91.000 TRP 182 1.040 36.611 38.720 7.206 -99.200 -91.000 TRP6 182 1.020 37.362 36.875 8.460 -99.200 -91.000 TYR 190 0.840 56.943 31.810 7.687 -99.200 -91.000 TRP 191 1.040 48.341 31.228 9.323 -99.200 -91.000 TRP6 191 1.020 46.235 31.077 8.275 -99.200 -91.000 PHE 193 1.000 48.985 40.285 7.460 -99.200 -91.000 TYR 243 0.840 71.801 42.142 30.117 -99.200 -91.000 PHE 246 1.000 67.412 50.159 20.005 -99.200 -91.000 TYR 255 0.840 54.519 64.533 27.974 -99.200 -91.000 PHE 261 1.000 52.856 48.210 11.968 -99.200 -91.000 TYR 268 0.840 43.980 46.818 11.344 -99.200 -91.000 TYR 275 0.840 55.374 52.339 20.920 -99.200 -91.000 PHE 282 1.000 64.190 46.416 31.807 -99.200 -91.000 PHE 287 1.000 57.720 49.384 17.132 -99.200 -91.000 TRP 293 1.040 58.110 45.402 8.315 -99.200 -91.000 TRP6 293 1.020 58.290 46.926 10.112 -99.200 -91.000 PHE 299 1.000 48.775 44.026 14.416 -99.200 -91.000 TYR 303 0.840 44.721 46.162 16.190 -99.200 -91.000 TYR 304 0.840 38.850 37.368 18.250 -99.200 -91.000 PHE 307 1.000 46.128 33.534 12.936 -99.200 -91.000