============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 5 0.840 -20.182 -30.084 -41.756 -99.200 -91.000 PHE 6 1.000 -17.305 -25.458 -34.956 -99.200 -91.000 HIS 8 0.900 -12.562 -27.465 -35.007 -99.200 -91.000 PHE 19 1.000 -17.217 -27.069 -22.550 -99.200 -91.000 TYR 40 0.840 1.772 -28.695 -36.842 -99.200 -91.000 PHE 55 1.000 -16.348 -31.616 -21.217 -99.200 -91.000 PHE 73 1.000 -4.202 -19.234 -39.524 -99.200 -91.000 TRP 77 1.040 0.070 -17.249 -33.739 -99.200 -91.000 TRP6 77 1.020 -1.234 -15.767 -35.070 -99.200 -91.000 HIS 80 0.900 -1.753 -21.701 -29.031 -99.200 -91.000 PHE 82 1.000 0.880 -31.370 -31.933 -99.200 -91.000 TYR 83 0.840 0.954 -26.479 -26.540 -99.200 -91.000 HIS 99 0.900 -16.337 -45.040 -35.179 -99.200 -91.000 HIS 106 0.900 -13.126 -32.140 -50.619 -99.200 -91.000 HIS 107 0.900 -15.167 -35.656 -51.863 -99.200 -91.000 HIS 108 0.900 -18.542 -35.101 -42.355 -99.200 -91.000 PHE 124 1.000 -17.198 -23.881 -43.321 -99.200 -91.000 TYR 136 0.840 -14.169 -27.071 -59.236 -99.200 -91.000 TRP 150 1.040 -15.128 -17.317 -42.625 -99.200 -91.000 TRP6 150 1.020 -14.443 -15.622 -44.117 -99.200 -91.000 PHE 155 1.000 -15.872 -5.190 -44.319 -99.200 -91.000 HIS 162 0.900 0.467 -7.411 -37.875 -99.200 -91.000 HIS 166 0.900 -1.686 -9.181 -46.288 -99.200 -91.000 TRP 172 1.040 -3.075 -14.562 -39.527 -99.200 -91.000 TRP6 172 1.020 -1.836 -15.876 -41.065 -99.200 -91.000 PHE 175 1.000 -1.814 -13.648 -45.926 -99.200 -91.000 TRP 176 1.040 -4.512 -21.393 -44.067 -99.200 -91.000 TRP6 176 1.020 -5.661 -23.250 -45.050 -99.200 -91.000 TRP 185 1.040 -17.340 -13.512 -49.394 -99.200 -91.000 TRP6 185 1.020 -16.927 -11.299 -48.826 -99.200 -91.000 TRP 212 1.040 -14.739 -18.089 -17.037 -99.200 -91.000 TRP6 212 1.020 -13.695 -17.803 -19.120 -99.200 -91.000 TYR 218 0.840 -20.687 -24.314 -11.266 -99.200 -91.000 PHE 223 1.000 -12.362 -28.418 -22.117 -99.200 -91.000 TYR 228 0.840 -10.139 -19.231 -23.708 -99.200 -91.000 TYR 234 0.840 -10.090 -7.768 -28.501 -99.200 -91.000 TRP 236 1.040 -11.582 -11.805 -33.201 -99.200 -91.000 TRP6 236 1.020 -9.318 -11.655 -32.579 -99.200 -91.000 PHE 243 1.000 -24.844 -13.222 -35.102 -99.200 -91.000 HIS 260 0.900 -8.294 -5.845 -52.884 -99.200 -91.000 TYR 262 0.840 -5.231 -10.354 -58.589 -99.200 -91.000 HIS 279 0.900 -26.926 -10.143 -44.238 -99.200 -91.000 TYR 282 0.840 -24.018 -2.702 -35.501 -99.200 -91.000 HIS 286 0.900 -18.292 -7.435 -20.682 -99.200 -91.000 PHE 289 1.000 -18.940 -13.556 -25.996 -99.200 -91.000 PHE 290 1.000 -16.692 -11.920 -21.891 -99.200 -91.000 TYR 292 0.840 -25.275 -18.349 -25.306 -99.200 -91.000