============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. HIS 5 0.900 5.959 -23.137 48.381 -99.200 -91.000 TYR 9 0.840 -5.154 -21.460 31.098 -99.200 -91.000 TYR 12 0.840 -7.353 -24.998 24.531 -99.200 -91.000 PHE 34 1.000 -39.075 -44.283 20.357 -99.200 -91.000 TYR 46 0.840 -25.827 -52.100 13.645 -99.200 -91.000 PHE 56 1.000 -30.676 -44.373 23.795 -99.200 -91.000 HIS 62 0.900 -27.807 -55.326 17.050 -99.200 -91.000 TRP 82 1.040 -36.029 -38.241 23.552 -99.200 -91.000 TRP6 82 1.020 -34.651 -40.164 23.775 -99.200 -91.000 PHE 83 1.000 -29.736 -39.478 24.706 -99.200 -91.000 PHE 87 1.000 -32.955 -42.722 29.001 -99.200 -91.000 TYR 89 0.840 -28.555 -38.108 32.956 -99.200 -91.000 TYR 116 0.840 -11.233 -20.897 28.113 -99.200 -91.000 PHE 119 1.000 -17.276 -25.744 23.641 -99.200 -91.000 PHE 128 1.000 -14.222 -27.854 36.026 -99.200 -91.000 TYR 134 0.840 -14.059 -20.279 32.864 -99.200 -91.000 PHE 144 1.000 -6.240 -15.651 36.881 -99.200 -91.000 TYR 151 0.840 -23.699 -20.694 36.567 -99.200 -91.000 PHE 163 1.000 -28.232 -44.331 28.124 -99.200 -91.000 PHE 165 1.000 -25.994 -53.952 28.409 -99.200 -91.000 PHE 171 1.000 -35.610 -55.452 26.160 -99.200 -91.000 PHE 186 1.000 -26.149 -47.970 23.014 -99.200 -91.000 PHE 192 1.000 -23.458 -31.809 21.199 -99.200 -91.000 PHE 207 1.000 -8.519 -9.350 29.245 -99.200 -91.000 PHE 220 1.000 -2.275 -24.793 26.567 -99.200 -91.000 TYR 223 0.840 -4.280 -29.119 21.353 -99.200 -91.000 TYR 230 0.840 -15.005 -27.103 13.131 -99.200 -91.000 TYR 238 0.840 -10.968 -19.900 12.795 -99.200 -91.000 TYR 239 0.840 -12.340 -23.856 15.502 -99.200 -91.000 PHE 250 1.000 -1.128 -19.683 28.788 -99.200 -91.000 HIS 258 0.900 2.291 -33.191 29.897 -99.200 -91.000 PHE 261 1.000 -1.217 -37.190 20.085 -99.200 -91.000 PHE 280 1.000 4.998 -22.571 18.387 -99.200 -91.000 TYR 300 0.840 10.177 -43.127 11.469 -99.200 -91.000 PHE 308 1.000 -0.961 -49.163 16.443 -99.200 -91.000 TYR 310 0.840 4.845 -59.009 17.843 -99.200 -91.000 PHE 329 1.000 8.006 -33.961 22.137 -99.200 -91.000 HIS 335 0.900 0.294 -42.023 30.068 -99.200 -91.000 TYR 338 0.840 2.333 -55.295 33.479 -99.200 -91.000 TYR 339 0.840 7.401 -49.536 29.907 -99.200 -91.000 TYR 342 0.840 9.756 -37.611 32.749 -99.200 -91.000 HIS 345 0.900 15.881 -32.912 22.877 -99.200 -91.000 PHE 361 1.000 3.694 -36.052 43.259 -99.200 -91.000 TYR 381 0.840 2.867 -38.884 46.579 -99.200 -91.000 PHE 389 1.000 8.020 -48.272 42.789 -99.200 -91.000 TYR 395 0.840 10.125 -59.507 31.220 -99.200 -91.000 PHE 400 1.000 16.175 -48.323 30.834 -99.200 -91.000 TYR 412 0.840 17.579 -38.584 21.798 -99.200 -91.000 PHE 440 1.000 4.111 -29.545 32.878 -99.200 -91.000 TYR 443 0.840 10.517 -31.293 33.012 -99.200 -91.000 PHE 446 1.000 12.066 -33.359 41.215 -99.200 -91.000 HIS 450 0.900 18.890 -29.006 37.987 -99.200 -91.000