============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 2.021 15.813 -17.539 -99.200 -91.000 TYR 10 0.840 8.162 10.113 -19.044 -99.200 -91.000 TYR 14 0.840 7.263 5.637 -29.442 -99.200 -91.000 TYR 15 0.840 0.283 11.368 -30.367 -99.200 -91.000 PHE 32 1.000 -13.062 5.189 -29.719 -99.200 -91.000 HIS 92 0.900 15.577 5.828 -0.936 -99.200 -91.000 PHE 100 1.000 19.920 6.800 8.263 -99.200 -91.000 PHE 104 1.000 4.388 3.475 2.854 -99.200 -91.000 TYR 111 0.840 -8.780 6.351 -1.498 -99.200 -91.000 TYR 123 0.840 6.859 11.201 8.276 -99.200 -91.000 TYR 142 0.840 -9.693 -0.732 -18.987 -99.200 -91.000 HIS 163 0.900 5.620 21.482 8.114 -99.200 -91.000 TYR 177 0.840 -20.061 5.949 0.586 -99.200 -91.000 TYR 182 0.840 -16.272 -7.849 -6.029 -99.200 -91.000 PHE 184 1.000 -10.540 -1.463 -12.995 -99.200 -91.000 TRP 185 1.040 -13.040 -8.312 -9.848 -99.200 -91.000 TRP6 185 1.020 -15.053 -7.948 -11.037 -99.200 -91.000 HIS 190 0.900 -8.465 -12.781 -13.929 -99.200 -91.000 TYR 192 0.840 -4.868 -7.507 -21.180 -99.200 -91.000 TYR 204 0.840 -15.982 9.085 -11.081 -99.200 -91.000 PHE 208 1.000 -18.898 14.438 -7.109 -99.200 -91.000 TRP 212 1.040 -21.386 17.851 -2.591 -99.200 -91.000 TRP6 212 1.020 -19.955 19.632 -1.985 -99.200 -91.000 TYR 215 0.840 -15.771 19.115 1.844 -99.200 -91.000 PHE 226 1.000 -15.242 23.418 -2.317 -99.200 -91.000 PHE 231 1.000 -15.650 16.163 -10.331 -99.200 -91.000 HIS 232 0.900 -10.280 8.132 -11.618 -99.200 -91.000 PHE 235 1.000 -15.281 7.569 -19.298 -99.200 -91.000 TYR 262 0.840 -14.764 17.857 -15.786 -99.200 -91.000 TYR 268 0.840 -1.720 20.137 -19.201 -99.200 -91.000 TYR 271 0.840 -5.189 17.165 -26.293 -99.200 -91.000 TYR 276 0.840 -5.725 1.800 -14.321 -99.200 -91.000 TYR 281 0.840 -3.770 13.415 -6.701 -99.200 -91.000 PHE 302 1.000 -15.275 11.262 -5.914 -99.200 -91.000 TYR 304 0.840 -14.890 5.307 -7.988 -99.200 -91.000 PHE 312 1.000 -15.256 17.610 -2.542 -99.200 -91.000 TYR 313 0.840 -7.922 16.032 -1.405 -99.200 -91.000 TYR 321 0.840 -1.525 29.232 -8.616 -99.200 -91.000 HIS 324 0.900 7.082 28.787 -6.560 -99.200 -91.000 HIS 330 0.900 3.912 20.293 -16.423 -99.200 -91.000 TYR 345 0.840 -2.950 0.539 -29.276 -99.200 -91.000 PHE 348 1.000 5.625 0.987 -29.958 -99.200 -91.000 PHE 349 1.000 -2.421 -3.639 -24.906 -99.200 -91.000 PHE 352 1.000 3.957 -2.346 -20.749 -99.200 -91.000 PHE 357 1.000 13.777 -5.462 -21.700 -99.200 -91.000 HIS 365 0.900 21.310 7.122 -30.198 -99.200 -91.000 HIS 369 0.900 20.156 14.576 -22.062 -99.200 -91.000 PHE 371 1.000 16.216 8.009 -13.492 -99.200 -91.000 TYR 372 0.840 16.679 3.538 -21.713 -99.200 -91.000 TYR 383 0.840 14.268 0.167 -13.793 -99.200 -91.000 HIS 384 0.900 19.744 5.775 -19.968 -99.200 -91.000