============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. TYR 14 0.840 19.212 -6.447 35.423 -99.200 -91.000 TYR 15 0.840 20.675 -9.300 27.298 -99.200 -91.000 PHE 38 1.000 21.325 2.627 20.014 -99.200 -91.000 HIS 45 0.900 35.996 -7.197 21.868 -99.200 -91.000 PHE 47 1.000 35.979 -11.023 25.760 -99.200 -91.000 HIS 49 0.900 28.096 -14.639 21.523 -99.200 -91.000 TYR 51 0.840 30.711 -7.264 12.939 -99.200 -91.000 TYR 52 0.840 24.772 -0.109 12.507 -99.200 -91.000 TYR 60 0.840 25.861 4.612 8.931 -99.200 -91.000 TYR 68 0.840 38.101 8.081 24.998 -99.200 -91.000 TYR 71 0.840 30.493 3.842 29.013 -99.200 -91.000 TRP 76 1.040 31.711 3.084 23.886 -99.200 -91.000 TRP6 76 1.020 31.060 4.873 22.471 -99.200 -91.000 HIS 89 0.900 10.067 -9.173 22.029 -99.200 -91.000 PHE 108 1.000 31.008 -0.864 26.209 -99.200 -91.000 PHE 109 1.000 31.540 -4.314 22.730 -99.200 -91.000 TRP 115 1.040 25.909 -6.409 27.724 -99.200 -91.000 TRP6 115 1.020 27.677 -4.920 27.196 -99.200 -91.000 TYR 123 0.840 17.405 14.186 31.751 -99.200 -91.000 PHE 136 1.000 15.892 4.936 21.323 -99.200 -91.000 PHE 137 1.000 12.320 7.827 26.824 -99.200 -91.000 HIS 145 0.900 1.531 11.760 18.301 -99.200 -91.000 PHE 150 1.000 13.834 5.637 31.310 -99.200 -91.000 HIS 170 0.900 -0.638 1.971 38.134 -99.200 -91.000 TYR 173 0.840 3.317 0.663 41.423 -99.200 -91.000 TRP 178 1.040 6.457 6.777 49.400 -99.200 -91.000 TRP6 178 1.020 5.902 8.646 50.746 -99.200 -91.000 TYR 179 0.840 6.498 9.844 41.547 -99.200 -91.000 TRP 186 1.040 24.110 16.295 36.060 -99.200 -91.000 TRP6 186 1.020 26.452 16.364 36.380 -99.200 -91.000 TYR 187 0.840 26.459 11.447 35.209 -99.200 -91.000 TYR 188 0.840 17.466 9.749 34.119 -99.200 -91.000 TYR 209 0.840 24.903 10.635 54.295 -99.200 -91.000 TYR 211 0.840 33.503 15.208 47.247 -99.200 -91.000 PHE 230 1.000 34.073 1.154 50.741 -99.200 -91.000 PHE 246 1.000 32.100 -12.302 56.722 -99.200 -91.000 PHE 250 1.000 32.543 -9.806 51.835 -99.200 -91.000 TRP 251 1.040 34.880 -6.556 55.194 -99.200 -91.000 TRP6 251 1.020 32.536 -6.449 55.488 -99.200 -91.000 TRP 259 1.040 28.587 -18.186 54.905 -99.200 -91.000 TRP6 259 1.020 28.377 -16.064 53.886 -99.200 -91.000 TRP 266 1.040 20.353 -14.941 53.026 -99.200 -91.000 TRP6 266 1.020 21.678 -13.799 51.434 -99.200 -91.000 PHE 269 1.000 26.699 -10.632 55.864 -99.200 -91.000 TYR 275 0.840 15.787 7.630 56.260 -99.200 -91.000 PHE 285 1.000 11.408 8.458 48.288 -99.200 -91.000 TYR 294 0.840 24.404 -5.390 52.221 -99.200 -91.000 TYR 309 0.840 25.898 -15.059 48.503 -99.200 -91.000 PHE 311 1.000 30.648 -4.710 51.063 -99.200 -91.000 PHE 330 1.000 13.842 -0.825 46.503 -99.200 -91.000 TYR 331 0.840 7.352 0.088 37.819 -99.200 -91.000 PHE 334 1.000 15.228 5.803 35.914 -99.200 -91.000 PHE 343 1.000 14.071 5.170 43.779 -99.200 -91.000 HIS 349 0.900 8.931 -7.765 47.918 -99.200 -91.000 HIS 351 0.900 9.910 -11.983 49.464 -99.200 -91.000 PHE 354 1.000 13.645 -14.856 60.474 -99.200 -91.000 PHE 363 1.000 10.890 7.703 57.459 -99.200 -91.000 TYR 373 0.840 30.608 18.770 47.701 -99.200 -91.000