============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 17 0.840 18.661 27.530 -11.612 -99.200 -91.000 PHE 31 1.000 22.053 16.817 3.451 -99.200 -91.000 TYR 32 0.840 19.989 19.306 -0.520 -99.200 -91.000 HIS 39 0.900 14.235 29.873 4.774 -99.200 -91.000 TYR 42 0.840 5.403 24.416 -7.316 -99.200 -91.000 TYR 49 0.840 11.295 24.526 -8.837 -99.200 -91.000 PHE 53 1.000 17.289 34.834 7.180 -99.200 -91.000 PHE 56 1.000 16.978 39.843 -6.120 -99.200 -91.000 HIS 58 0.900 10.724 29.854 -7.915 -99.200 -91.000 HIS 59 0.900 14.923 28.135 -8.976 -99.200 -91.000 PHE 76 1.000 27.943 30.139 -13.879 -99.200 -91.000 TYR 90 0.840 31.893 33.230 -25.383 -99.200 -91.000 TYR 91 0.840 28.890 28.786 -23.684 -99.200 -91.000 PHE 105 1.000 16.337 24.598 -20.730 -99.200 -91.000 PHE 121 1.000 31.973 20.392 -15.510 -99.200 -91.000 TYR 123 0.840 29.326 26.536 -17.038 -99.200 -91.000 PHE 125 1.000 25.989 30.999 -19.509 -99.200 -91.000 PHE 126 1.000 18.797 32.688 -14.018 -99.200 -91.000 PHE 127 1.000 17.370 40.514 -16.152 -99.200 -91.000 HIS 131 0.900 12.674 40.363 -8.719 -99.200 -91.000 HIS 136 0.900 16.662 41.694 3.941 -99.200 -91.000 TYR 139 0.840 17.411 39.053 11.796 -99.200 -91.000 TYR 142 0.840 19.975 33.717 11.310 -99.200 -91.000 HIS 152 0.900 32.332 28.027 -3.492 -99.200 -91.000 PHE 153 1.000 27.021 26.825 -9.518 -99.200 -91.000 TYR 166 0.840 34.689 27.475 -21.076 -99.200 -91.000 PHE 172 1.000 32.986 32.632 -14.533 -99.200 -91.000 TYR 186 0.840 49.120 19.443 -8.606 -99.200 -91.000 TRP 189 1.040 39.357 28.189 -5.190 -99.200 -91.000 TRP6 189 1.020 41.242 26.755 -5.202 -99.200 -91.000 HIS 191 0.900 35.934 38.129 -9.081 -99.200 -91.000 HIS 197 0.900 35.348 29.823 -4.750 -99.200 -91.000 HIS 210 0.900 35.173 18.360 -4.784 -99.200 -91.000 HIS 211 0.900 32.943 22.201 -3.431 -99.200 -91.000 PHE 214 1.000 23.194 26.489 -0.872 -99.200 -91.000 HIS 217 0.900 23.847 36.365 8.305 -99.200 -91.000 HIS 220 0.900 27.230 31.980 15.469 -99.200 -91.000 HIS 245 0.900 38.418 25.824 2.254 -99.200 -91.000 PHE 251 1.000 35.033 27.690 10.808 -99.200 -91.000 TYR 252 0.840 37.426 23.592 5.252 -99.200 -91.000 TYR 254 0.840 34.586 21.029 1.440 -99.200 -91.000 HIS 261 0.900 23.957 14.971 -6.257 -99.200 -91.000 TYR 266 0.840 33.578 30.144 0.774 -99.200 -91.000 TYR 270 0.840 40.702 37.012 -0.607 -99.200 -91.000 TYR 271 0.840 36.363 44.397 -3.500 -99.200 -91.000 TRP 282 1.040 47.453 29.303 -1.470 -99.200 -91.000 TRP6 282 1.020 47.795 29.302 0.876 -99.200 -91.000 HIS 285 0.900 54.679 18.598 -3.306 -99.200 -91.000 TRP 292 1.040 45.719 29.526 8.396 -99.200 -91.000 TRP6 292 1.020 47.489 30.272 6.986 -99.200 -91.000 TRP 293 1.040 42.861 26.202 11.526 -99.200 -91.000 TRP6 293 1.020 40.610 25.603 11.948 -99.200 -91.000 TRP 301 1.040 37.066 17.996 -0.459 -99.200 -91.000 TRP6 301 1.020 38.328 19.273 -2.004 -99.200 -91.000 TYR 302 0.840 42.962 15.701 -2.440 -99.200 -91.000 PHE 336 1.000 57.947 17.063 1.387 -99.200 -91.000 PHE 338 1.000 55.824 23.340 1.899 -99.200 -91.000 TYR 348 0.840 52.829 16.060 8.369 -99.200 -91.000 HIS 349 0.900 59.594 13.080 3.885 -99.200 -91.000 PHE 356 1.000 44.223 10.493 11.681 -99.200 -91.000