============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 6 1.000 36.543 3.117 24.929 -99.200 -91.000 TYR 9 0.840 32.977 12.177 20.027 -99.200 -91.000 TYR 35 0.840 39.280 15.277 14.625 -99.200 -91.000 TYR 59 0.840 37.710 19.737 20.720 -99.200 -91.000 PHE 65 1.000 45.176 24.829 13.416 -99.200 -91.000 TRP 82 1.040 64.696 19.024 4.700 -99.200 -91.000 TRP6 82 1.020 64.222 16.746 4.246 -99.200 -91.000 HIS 84 0.900 67.688 16.118 1.696 -99.200 -91.000 HIS 89 0.900 59.840 16.661 -0.671 -99.200 -91.000 HIS 99 0.900 53.644 22.476 4.898 -99.200 -91.000 HIS 101 0.900 49.817 25.240 12.384 -99.200 -91.000 HIS 109 0.900 45.277 12.640 9.008 -99.200 -91.000 TRP 111 1.040 46.131 10.765 16.140 -99.200 -91.000 TRP6 111 1.020 48.387 10.717 16.890 -99.200 -91.000 PHE 113 1.000 40.188 4.844 22.165 -99.200 -91.000 HIS 121 0.900 52.390 6.757 36.180 -99.200 -91.000 PHE 129 1.000 51.387 3.676 7.726 -99.200 -91.000 TYR 137 0.840 55.389 17.096 5.981 -99.200 -91.000 HIS 144 0.900 53.237 5.637 22.258 -99.200 -91.000 TYR 147 0.840 47.051 13.788 25.461 -99.200 -91.000 HIS 156 0.900 55.361 12.384 30.381 -99.200 -91.000 TYR 157 0.840 51.538 15.409 23.796 -99.200 -91.000 PHE 169 1.000 57.033 13.872 13.734 -99.200 -91.000 HIS 174 0.900 47.612 25.243 18.456 -99.200 -91.000 TYR 176 0.840 44.663 28.111 21.658 -99.200 -91.000 PHE 177 1.000 48.101 24.435 29.070 -99.200 -91.000 TYR 194 0.840 69.114 35.918 23.892 -99.200 -91.000 TYR 195 0.840 61.113 38.831 20.772 -99.200 -91.000 PHE 216 1.000 57.393 39.779 21.924 -99.200 -91.000 PHE 218 1.000 55.163 37.471 29.412 -99.200 -91.000 HIS 243 0.900 55.837 37.374 18.432 -99.200 -91.000 PHE 245 1.000 58.323 34.386 24.456 -99.200 -91.000 HIS 261 0.900 42.757 26.501 40.064 -99.200 -91.000 TYR 275 0.840 47.555 32.290 17.975 -99.200 -91.000 HIS 279 0.900 42.347 32.017 15.920 -99.200 -91.000 PHE 280 1.000 40.552 30.658 19.626 -99.200 -91.000 HIS 282 0.900 33.132 34.837 23.349 -99.200 -91.000 TYR 292 0.840 44.527 39.345 22.763 -99.200 -91.000 PHE 297 1.000 52.292 28.526 28.548 -99.200 -91.000 PHE 317 1.000 64.539 2.176 9.049 -99.200 -91.000 PHE 320 1.000 59.622 14.369 17.790 -99.200 -91.000 TRP 326 1.040 51.032 20.779 29.592 -99.200 -91.000 TRP6 326 1.020 50.207 19.055 28.197 -99.200 -91.000 PHE 328 1.000 46.962 21.655 34.826 -99.200 -91.000 HIS 332 0.900 52.407 31.026 46.042 -99.200 -91.000