============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 14 0.840 3.506 0.418 -36.391 -99.200 -91.000 TYR 18 0.840 7.727 17.892 -40.086 -99.200 -91.000 HIS 21 0.900 12.942 17.518 -39.892 -99.200 -91.000 PHE 45 1.000 -5.294 8.698 -20.711 -99.200 -91.000 PHE 54 1.000 -3.066 5.924 -27.879 -99.200 -91.000 PHE 59 1.000 -9.256 6.816 -41.296 -99.200 -91.000 PHE 84 1.000 -0.872 0.370 -37.530 -99.200 -91.000 HIS 87 0.900 -2.325 -6.574 -34.250 -99.200 -91.000 PHE 95 1.000 2.468 -2.937 -23.496 -99.200 -91.000 TYR 96 0.840 -2.710 0.162 -18.707 -99.200 -91.000 PHE 111 1.000 -10.741 20.037 -43.395 -99.200 -91.000 HIS 121 0.900 -20.078 13.393 -52.934 -99.200 -91.000 TYR 125 0.840 -14.480 8.779 -45.978 -99.200 -91.000 HIS 140 0.900 -9.760 -2.975 -28.627 -99.200 -91.000 PHE 144 1.000 -16.599 14.366 -30.479 -99.200 -91.000 PHE 152 1.000 -19.863 23.622 -31.067 -99.200 -91.000 HIS 159 0.900 -24.527 18.933 -42.219 -99.200 -91.000 TYR 170 0.840 -13.049 25.399 -29.029 -99.200 -91.000 TYR 191 0.840 1.068 28.257 -47.077 -99.200 -91.000 PHE 197 1.000 -1.774 16.681 -48.115 -99.200 -91.000 TYR 199 0.840 -0.808 22.051 -58.514 -99.200 -91.000 TYR 207 0.840 -7.207 22.885 -64.012 -99.200 -91.000 TYR 223 0.840 -1.718 31.468 -45.713 -99.200 -91.000 TRP 230 1.040 -2.998 24.314 -36.829 -99.200 -91.000 TRP6 230 1.020 -1.592 26.218 -37.086 -99.200 -91.000 TRP 232 1.040 -11.786 18.118 -35.682 -99.200 -91.000 TRP6 232 1.020 -13.816 17.971 -34.455 -99.200 -91.000 PHE 240 1.000 -12.789 13.427 -26.820 -99.200 -91.000 HIS 249 0.900 -1.635 17.067 -41.174 -99.200 -91.000 PHE 258 1.000 4.082 9.288 -32.053 -99.200 -91.000 HIS 261 0.900 3.866 6.800 -42.149 -99.200 -91.000 TRP 269 1.040 4.080 15.858 -45.646 -99.200 -91.000 TRP6 269 1.020 2.956 17.208 -44.051 -99.200 -91.000 TRP 273 1.040 -7.964 11.482 -45.965 -99.200 -91.000 TRP6 273 1.020 -7.204 10.303 -44.050 -99.200 -91.000 HIS 274 0.900 -5.969 13.827 -49.753 -99.200 -91.000 PHE 284 1.000 -3.484 -4.979 -50.073 -99.200 -91.000 HIS 308 0.900 -7.186 -4.917 -53.537 -99.200 -91.000 TYR 309 0.840 -5.304 0.784 -59.379 -99.200 -91.000