============================================================================= 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 -23.597 21.253 1.167 -99.200 -91.000 PHE 31 1.000 -19.992 24.138 19.447 -99.200 -91.000 TYR 32 0.840 -22.106 23.188 14.933 -99.200 -91.000 HIS 39 0.900 -27.692 34.427 11.345 -99.200 -91.000 TYR 42 0.840 -36.707 22.582 6.321 -99.200 -91.000 TYR 49 0.840 -30.962 21.188 5.353 -99.200 -91.000 PHE 53 1.000 -24.618 39.640 9.501 -99.200 -91.000 PHE 56 1.000 -25.199 33.803 -3.522 -99.200 -91.000 HIS 58 0.900 -31.369 25.753 2.150 -99.200 -91.000 HIS 59 0.900 -27.190 23.624 2.591 -99.200 -91.000 PHE 76 1.000 -14.349 21.248 -2.156 -99.200 -91.000 TYR 90 0.840 -10.454 15.432 -12.906 -99.200 -91.000 TYR 91 0.840 -13.554 13.546 -8.352 -99.200 -91.000 PHE 105 1.000 -26.092 12.800 -3.259 -99.200 -91.000 PHE 121 1.000 -10.491 13.206 3.364 -99.200 -91.000 TYR 123 0.840 -13.088 16.623 -2.122 -99.200 -91.000 PHE 125 1.000 -16.400 18.067 -6.970 -99.200 -91.000 PHE 126 1.000 -23.520 23.265 -4.293 -99.200 -91.000 PHE 127 1.000 -25.056 27.241 -11.280 -99.200 -91.000 HIS 131 0.900 -29.403 32.549 -5.873 -99.200 -91.000 HIS 136 0.900 -25.297 42.160 2.254 -99.200 -91.000 TYR 139 0.840 -24.434 45.660 9.803 -99.200 -91.000 TYR 142 0.840 -21.849 41.612 13.320 -99.200 -91.000 HIS 152 0.900 -9.862 27.038 6.303 -99.200 -91.000 PHE 153 1.000 -15.316 22.117 3.187 -99.200 -91.000 TYR 166 0.840 -7.772 14.337 -5.662 -99.200 -91.000 PHE 172 1.000 -9.417 22.494 -4.729 -99.200 -91.000 TYR 186 0.840 6.815 17.027 8.730 -99.200 -91.000 TRP 189 1.040 -2.890 25.859 4.982 -99.200 -91.000 TRP6 189 1.020 -1.006 24.801 5.978 -99.200 -91.000 HIS 191 0.900 -6.281 30.287 -4.673 -99.200 -91.000 HIS 197 0.900 -6.798 27.345 4.274 -99.200 -91.000 HIS 210 0.900 -6.982 19.217 12.326 -99.200 -91.000 HIS 211 0.900 -9.252 22.929 10.655 -99.200 -91.000 PHE 214 1.000 -18.915 27.927 9.600 -99.200 -91.000 HIS 217 0.900 -18.108 41.269 9.037 -99.200 -91.000 HIS 220 0.900 -14.524 43.219 17.268 -99.200 -91.000 HIS 245 0.900 -3.649 29.453 12.043 -99.200 -91.000 PHE 251 1.000 -6.767 36.876 16.764 -99.200 -91.000 TYR 252 0.840 -4.499 30.005 15.718 -99.200 -91.000 TYR 254 0.840 -7.386 25.530 14.935 -99.200 -91.000 HIS 261 0.900 -18.296 15.952 13.758 -99.200 -91.000 TYR 266 0.840 -8.493 31.591 7.995 -99.200 -91.000 TYR 270 0.840 -1.370 35.298 2.062 -99.200 -91.000 TYR 271 0.840 -5.809 38.638 -5.091 -99.200 -91.000 TRP 282 1.040 5.408 29.171 6.842 -99.200 -91.000 TRP6 282 1.020 5.775 30.825 8.492 -99.200 -91.000 HIS 285 0.900 12.406 20.121 12.986 -99.200 -91.000 TRP 292 1.040 3.819 36.328 13.555 -99.200 -91.000 TRP6 292 1.020 5.529 35.742 12.040 -99.200 -91.000 TRP 293 1.040 1.020 36.199 18.225 -99.200 -91.000 TRP6 293 1.020 -1.242 36.169 18.929 -99.200 -91.000 TRP 301 1.040 -5.064 21.998 15.734 -99.200 -91.000 TRP6 301 1.020 -3.875 21.781 13.723 -99.200 -91.000 TYR 302 0.840 0.789 18.892 15.715 -99.200 -91.000 PHE 336 1.000 15.841 22.344 17.243 -99.200 -91.000 PHE 338 1.000 13.734 27.082 13.303 -99.200 -91.000 TYR 348 0.840 10.871 26.682 23.157 -99.200 -91.000 HIS 349 0.900 17.573 21.169 21.817 -99.200 -91.000 PHE 356 1.000 2.419 25.203 29.600 -99.200 -91.000