============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 5 1.000 0.976 18.343 -24.019 -99.200 -91.000 HIS 7 0.900 -0.363 10.519 -31.851 -99.200 -91.000 PHE 25 1.000 3.707 13.153 -7.068 -99.200 -91.000 PHE 29 1.000 -6.746 19.476 -18.166 -99.200 -91.000 HIS 35 0.900 -19.498 13.027 -32.927 -99.200 -91.000 HIS 55 0.900 13.110 17.079 -6.171 -99.200 -91.000 PHE 59 1.000 7.644 4.787 -18.729 -99.200 -91.000 PHE 86 1.000 -11.880 -2.551 -9.925 -99.200 -91.000 HIS 93 0.900 -1.206 8.190 -27.018 -99.200 -91.000 TYR 99 0.840 -0.430 21.427 -18.936 -99.200 -91.000 TRP 107 1.040 -4.214 24.396 -13.599 -99.200 -91.000 TRP6 107 1.020 -3.882 26.289 -12.237 -99.200 -91.000 HIS 109 0.900 -14.555 28.008 -15.906 -99.200 -91.000 TYR 110 0.840 -10.553 22.360 -10.540 -99.200 -91.000 PHE 123 1.000 5.958 24.773 -13.708 -99.200 -91.000 PHE 124 1.000 5.284 21.300 -16.396 -99.200 -91.000 PHE 130 1.000 3.775 17.688 -19.698 -99.200 -91.000 PHE 135 1.000 -7.504 6.319 -16.623 -99.200 -91.000 PHE 137 1.000 -17.540 11.646 -17.699 -99.200 -91.000 HIS 160 0.900 -24.670 -6.571 -3.196 -99.200 -91.000 PHE 175 1.000 -7.202 -2.896 -6.865 -99.200 -91.000 HIS 177 0.900 -8.440 2.857 -5.047 -99.200 -91.000 HIS 181 0.900 -10.041 10.490 -2.830 -99.200 -91.000 TRP 182 1.040 -16.082 12.135 -0.302 -99.200 -91.000 TRP6 182 1.020 -18.153 12.851 0.578 -99.200 -91.000 HIS 196 0.900 -26.259 -9.958 -14.982 -99.200 -91.000 TYR 197 0.840 -20.798 -10.170 -7.979 -99.200 -91.000 TYR 218 0.840 -7.559 2.009 -11.063 -99.200 -91.000 PHE 231 1.000 5.522 -2.204 -3.696 -99.200 -91.000 PHE 241 1.000 1.847 6.579 5.753 -99.200 -91.000 TYR 247 0.840 -12.542 6.388 9.406 -99.200 -91.000 PHE 249 1.000 -6.626 13.713 4.839 -99.200 -91.000 TYR 252 0.840 -4.486 8.325 2.840 -99.200 -91.000 TRP 263 1.040 3.460 0.910 2.564 -99.200 -91.000 TRP6 263 1.020 1.200 1.544 2.872 -99.200 -91.000 TYR 266 0.840 -4.036 -9.814 -1.260 -99.200 -91.000 HIS 267 0.900 -0.628 -7.052 5.249 -99.200 -91.000 TYR 269 0.840 -8.808 -4.751 8.568 -99.200 -91.000 TRP 274 1.040 -8.856 2.956 1.450 -99.200 -91.000 TRP6 274 1.020 -9.005 5.286 1.761 -99.200 -91.000 HIS 276 0.900 -15.519 1.708 9.651 -99.200 -91.000 TYR 277 0.840 -13.414 7.778 3.126 -99.200 -91.000 PHE 288 1.000 -28.989 9.176 1.554 -99.200 -91.000 PHE 307 1.000 -21.029 -3.186 4.964 -99.200 -91.000 HIS 308 0.900 -19.742 3.041 10.750 -99.200 -91.000 PHE 314 1.000 -17.532 -9.655 8.013 -99.200 -91.000 HIS 324 0.900 -22.081 -7.425 7.077 -99.200 -91.000 PHE 327 1.000 -22.521 -6.521 0.867 -99.200 -91.000