============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. HIS 8 0.900 -16.062 -0.398 28.185 -99.200 -91.000 TYR 23 0.840 -25.183 14.283 12.458 -99.200 -91.000 PHE 27 1.000 -24.114 7.595 5.143 -99.200 -91.000 TRP 30 1.040 -25.067 -1.027 12.084 -99.200 -91.000 TRP6 30 1.020 -25.465 -0.848 9.763 -99.200 -91.000 TYR 45 0.840 -1.115 -3.875 9.752 -99.200 -91.000 PHE 50 1.000 8.249 -11.803 -4.078 -99.200 -91.000 PHE 70 1.000 0.202 -14.764 12.732 -99.200 -91.000 HIS 78 0.900 -9.527 -11.732 11.512 -99.200 -91.000 HIS 79 0.900 -4.387 -15.753 10.179 -99.200 -91.000 HIS 83 0.900 1.143 -9.173 -4.574 -99.200 -91.000 HIS 84 0.900 2.249 -3.393 -0.712 -99.200 -91.000 TYR 90 0.840 12.715 -4.006 -4.018 -99.200 -91.000 TYR 98 0.840 -6.234 -6.830 13.122 -99.200 -91.000 TRP 99 1.040 -1.358 -11.666 19.396 -99.200 -91.000 TRP6 99 1.020 -0.313 -11.040 17.375 -99.200 -91.000 HIS 106 0.900 6.904 -9.020 25.890 -99.200 -91.000 TRP 108 1.040 2.925 -15.882 18.419 -99.200 -91.000 TRP6 108 1.020 3.756 -14.347 16.816 -99.200 -91.000 TRP 117 1.040 11.411 -17.528 10.720 -99.200 -91.000 TRP6 117 1.020 10.721 -15.369 10.049 -99.200 -91.000 TRP 118 1.040 12.486 -10.181 14.356 -99.200 -91.000 TRP6 118 1.020 11.619 -9.570 12.239 -99.200 -91.000 PHE 130 1.000 12.538 -12.601 6.006 -99.200 -91.000 PHE 131 1.000 6.935 -5.222 5.838 -99.200 -91.000 PHE 142 1.000 -9.777 -0.248 18.887 -99.200 -91.000 TYR 146 0.840 -16.486 -2.523 11.320 -99.200 -91.000 PHE 148 1.000 -18.931 -4.620 6.765 -99.200 -91.000 HIS 169 0.900 -22.897 7.414 10.369 -99.200 -91.000 TYR 171 0.840 -20.306 14.666 12.568 -99.200 -91.000 TRP 172 1.040 -16.012 16.377 5.310 -99.200 -91.000 TRP6 172 1.020 -14.989 14.442 4.405 -99.200 -91.000 PHE 179 1.000 -9.263 7.782 16.866 -99.200 -91.000 TRP 186 1.040 -6.941 19.523 22.455 -99.200 -91.000 TRP6 186 1.020 -8.687 20.260 21.046 -99.200 -91.000 HIS 211 0.900 5.193 11.130 15.463 -99.200 -91.000 TRP 223 1.040 -14.253 -6.891 -5.802 -99.200 -91.000 TRP6 223 1.020 -12.279 -6.163 -4.716 -99.200 -91.000 TYR 234 0.840 -14.532 -1.564 -5.399 -99.200 -91.000 PHE 248 1.000 -1.642 13.580 -3.338 -99.200 -91.000 TYR 259 0.840 5.561 9.863 9.679 -99.200 -91.000 PHE 263 1.000 -6.170 -0.066 -3.268 -99.200 -91.000 PHE 273 1.000 -3.670 -10.595 -6.826 -99.200 -91.000 TYR 278 0.840 -6.109 -4.736 4.582 -99.200 -91.000 HIS 282 0.900 1.836 2.454 9.189 -99.200 -91.000 TRP 283 1.040 -2.312 9.050 6.986 -99.200 -91.000 TRP6 283 1.020 -2.509 10.890 5.507 -99.200 -91.000 TRP 292 1.040 -5.308 12.920 1.006 -99.200 -91.000 TRP6 292 1.020 -6.663 10.987 0.826 -99.200 -91.000 HIS 296 0.900 -5.622 14.913 -3.048 -99.200 -91.000 HIS 299 0.900 -12.077 10.435 1.652 -99.200 -91.000 PHE 303 1.000 -18.335 12.701 1.226 -99.200 -91.000 PHE 306 1.000 -20.950 4.609 1.827 -99.200 -91.000 PHE 307 1.000 -22.353 11.392 2.468 -99.200 -91.000 TYR 319 0.840 -12.914 -2.972 6.431 -99.200 -91.000 HIS 320 0.900 -12.615 4.816 8.821 -99.200 -91.000 PHE 325 1.000 -0.912 3.048 16.545 -99.200 -91.000 TYR 332 0.840 6.108 1.801 13.188 -99.200 -91.000 TYR 334 0.840 10.707 -1.315 8.511 -99.200 -91.000 HIS 338 0.900 11.821 -0.594 -1.147 -99.200 -91.000 HIS 353 0.900 17.924 12.815 15.960 -99.200 -91.000