============================================================================= 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 1 0.840 26.436 -72.833 25.145 -99.200 -91.000 TYR 27 0.840 31.802 -86.023 26.052 -99.200 -91.000 PHE 32 1.000 35.876 -79.528 31.370 -99.200 -91.000 TYR 39 0.840 39.064 -79.626 40.404 -99.200 -91.000 TYR 41 0.840 38.609 -83.434 29.224 -99.200 -91.000 TYR 44 0.840 38.275 -89.673 32.887 -99.200 -91.000 HIS 48 0.900 45.294 -91.059 25.766 -99.200 -91.000 TYR 49 0.840 45.731 -86.475 25.560 -99.200 -91.000 PHE 62 1.000 43.608 -83.596 39.046 -99.200 -91.000 TYR 84 0.840 54.000 -83.705 36.597 -99.200 -91.000 TYR 89 0.840 45.543 -75.437 23.824 -99.200 -91.000 TYR 110 0.840 62.825 -76.749 28.109 -99.200 -91.000 TYR 119 0.840 56.723 -81.925 31.996 -99.200 -91.000 PHE 121 1.000 53.361 -78.905 22.750 -99.200 -91.000 PHE 122 1.000 46.010 -82.463 26.193 -99.200 -91.000 PHE 130 1.000 52.966 -74.808 40.329 -99.200 -91.000 TYR 134 0.840 54.079 -61.879 43.901 -99.200 -91.000 PHE 146 1.000 57.933 -56.135 41.475 -99.200 -91.000 HIS 158 0.900 62.061 -57.616 22.899 -99.200 -91.000 TYR 167 0.840 62.119 -64.325 10.748 -99.200 -91.000 PHE 183 1.000 55.326 -64.430 11.716 -99.200 -91.000 TRP 185 1.040 53.322 -54.117 10.320 -99.200 -91.000 TRP6 185 1.020 52.433 -52.340 11.585 -99.200 -91.000 TRP 189 1.040 46.814 -54.727 7.052 -99.200 -91.000 TRP6 189 1.020 45.102 -53.185 6.485 -99.200 -91.000 TYR 191 0.840 43.783 -59.949 15.607 -99.200 -91.000 PHE 192 1.000 39.858 -53.427 7.818 -99.200 -91.000 HIS 193 0.900 41.480 -57.835 4.883 -99.200 -91.000 PHE 205 1.000 16.719 -52.916 16.948 -99.200 -91.000 PHE 217 1.000 35.272 -52.792 10.240 -99.200 -91.000 HIS 242 0.900 54.450 -62.600 26.646 -99.200 -91.000 PHE 261 1.000 58.787 -61.165 30.663 -99.200 -91.000 PHE 264 1.000 56.614 -67.099 26.988 -99.200 -91.000 TYR 266 0.840 47.390 -63.618 22.078 -99.200 -91.000 TYR 274 0.840 52.475 -54.898 19.205 -99.200 -91.000 HIS 279 0.900 55.313 -54.231 30.468 -99.200 -91.000 PHE 280 1.000 56.992 -48.624 28.539 -99.200 -91.000 TYR 283 0.840 53.806 -49.337 33.021 -99.200 -91.000 PHE 286 1.000 42.630 -57.579 30.819 -99.200 -91.000 TRP 290 1.040 43.262 -45.145 27.884 -99.200 -91.000 TRP6 290 1.020 44.240 -47.265 27.556 -99.200 -91.000 TYR 300 0.840 66.598 -41.759 30.579 -99.200 -91.000 HIS 301 0.900 63.935 -47.104 36.682 -99.200 -91.000 PHE 302 1.000 60.460 -51.863 30.278 -99.200 -91.000 HIS 305 0.900 67.770 -50.423 35.294 -99.200 -91.000 TYR 306 0.840 64.695 -53.631 25.400 -99.200 -91.000 PHE 325 1.000 56.147 -49.826 16.576 -99.200 -91.000 TYR 326 0.840 52.855 -45.639 24.429 -99.200 -91.000 HIS 330 0.900 45.758 -47.729 22.943 -99.200 -91.000 TRP 333 1.040 46.497 -56.450 22.543 -99.200 -91.000 TRP6 333 1.020 46.077 -58.777 22.721 -99.200 -91.000 TRP 336 1.040 42.486 -61.272 20.693 -99.200 -91.000 TRP6 336 1.020 41.728 -61.069 22.924 -99.200 -91.000 HIS 343 0.900 32.567 -66.187 16.044 -99.200 -91.000 PHE 347 1.000 37.794 -58.900 29.084 -99.200 -91.000 PHE 349 1.000 36.367 -61.632 25.160 -99.200 -91.000 TYR 352 0.840 40.413 -54.682 26.790 -99.200 -91.000 PHE 365 1.000 47.151 -43.860 24.840 -99.200 -91.000