============================================================================= 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. HIS 6 0.900 46.688 71.367 8.867 -99.200 -91.000 HIS 8 0.900 53.833 66.076 14.636 -99.200 -91.000 TRP 24 1.040 44.500 63.569 12.582 -99.200 -91.000 TRP6 24 1.020 44.924 62.899 10.346 -99.200 -91.000 PHE 32 1.000 45.568 60.476 5.452 -99.200 -91.000 HIS 34 0.900 40.297 67.403 -0.754 -99.200 -91.000 PHE 44 1.000 48.438 58.696 -11.069 -99.200 -91.000 HIS 66 0.900 31.244 57.357 -2.839 -99.200 -91.000 TYR 67 0.840 35.929 63.478 1.418 -99.200 -91.000 PHE 69 1.000 40.208 58.270 -1.312 -99.200 -91.000 HIS 71 0.900 40.910 52.915 -10.178 -99.200 -91.000 HIS 103 0.900 43.990 45.386 26.045 -99.200 -91.000 PHE 109 1.000 39.631 40.308 6.306 -99.200 -91.000 PHE 123 1.000 29.983 30.503 9.524 -99.200 -91.000 HIS 128 0.900 37.740 26.190 -0.347 -99.200 -91.000 TYR 135 0.840 25.979 17.604 10.586 -99.200 -91.000 TRP 138 1.040 23.751 30.012 15.725 -99.200 -91.000 TRP6 138 1.020 21.373 30.042 15.691 -99.200 -91.000 PHE 147 1.000 19.129 29.096 11.272 -99.200 -91.000 PHE 155 1.000 30.045 24.588 5.629 -99.200 -91.000 HIS 187 0.900 31.575 13.220 10.077 -99.200 -91.000 HIS 192 0.900 27.648 31.668 13.863 -99.200 -91.000 PHE 198 1.000 17.799 41.289 19.403 -99.200 -91.000 TYR 216 0.840 35.158 17.079 22.068 -99.200 -91.000 HIS 220 0.900 34.735 29.717 20.016 -99.200 -91.000 TYR 226 0.840 24.048 43.851 19.816 -99.200 -91.000 HIS 235 0.900 38.687 40.339 30.791 -99.200 -91.000 PHE 249 1.000 38.183 39.285 17.708 -99.200 -91.000 PHE 256 1.000 34.460 50.767 15.235 -99.200 -91.000 PHE 268 1.000 42.404 36.139 19.560 -99.200 -91.000 PHE 272 1.000 40.973 30.910 10.033 -99.200 -91.000 TYR 280 0.840 35.368 40.255 -1.087 -99.200 -91.000 TYR 304 0.840 35.201 53.400 19.685 -99.200 -91.000 PHE 315 1.000 23.081 47.938 30.927 -99.200 -91.000 TYR 317 0.840 18.693 58.665 32.664 -99.200 -91.000 HIS 329 0.900 3.109 51.718 33.798 -99.200 -91.000 HIS 338 0.900 26.015 36.496 34.476 -99.200 -91.000 HIS 353 0.900 -5.780 40.754 30.027 -99.200 -91.000 HIS 354 0.900 -6.192 33.648 25.713 -99.200 -91.000 PHE 366 1.000 7.257 51.602 12.940 -99.200 -91.000 HIS 387 0.900 15.642 25.410 13.979 -99.200 -91.000 PHE 389 1.000 15.167 29.669 14.633 -99.200 -91.000 PHE 392 1.000 12.302 34.342 14.938 -99.200 -91.000 HIS 395 0.900 16.660 35.527 21.769 -99.200 -91.000 TYR 399 0.840 12.352 34.284 29.332 -99.200 -91.000 TYR 403 0.840 11.544 39.037 26.563 -99.200 -91.000 PHE 420 1.000 11.762 52.391 25.974 -99.200 -91.000