============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. HIS 13 0.900 16.177 19.159 18.763 -99.200 -91.000 PHE 39 1.000 26.677 24.286 29.395 -99.200 -91.000 HIS 45 0.900 16.446 14.387 23.928 -99.200 -91.000 PHE 56 1.000 30.051 7.812 33.302 -99.200 -91.000 HIS 60 0.900 42.804 9.220 19.884 -99.200 -91.000 PHE 71 1.000 29.796 14.735 32.085 -99.200 -91.000 PHE 84 1.000 16.436 5.975 47.395 -99.200 -91.000 TYR 100 0.840 11.843 18.406 44.649 -99.200 -91.000 TYR 119 0.840 42.194 17.170 27.686 -99.200 -91.000 TYR 139 0.840 12.894 23.403 22.272 -99.200 -91.000 PHE 156 1.000 6.800 16.422 32.831 -99.200 -91.000 TYR 159 0.840 7.349 15.304 41.896 -99.200 -91.000 TYR 165 0.840 10.418 25.783 35.890 -99.200 -91.000 PHE 166 1.000 9.940 20.405 31.901 -99.200 -91.000 PHE 167 1.000 1.690 19.395 32.872 -99.200 -91.000 HIS 171 0.900 -1.473 23.198 36.453 -99.200 -91.000 TYR 174 0.840 4.599 23.658 26.384 -99.200 -91.000 PHE 180 1.000 9.407 23.705 27.044 -99.200 -91.000 PHE 200 1.000 23.741 23.054 38.565 -99.200 -91.000 TYR 201 0.840 28.072 22.055 40.238 -99.200 -91.000 TYR 228 0.840 29.871 16.489 40.631 -99.200 -91.000 TRP 232 1.040 40.000 15.709 34.305 -99.200 -91.000 TRP6 232 1.020 39.239 15.763 32.058 -99.200 -91.000 TYR 240 0.840 35.729 -7.868 17.922 -99.200 -91.000 TYR 243 0.840 39.355 -2.356 13.127 -99.200 -91.000 HIS 257 0.900 30.251 -5.941 32.665 -99.200 -91.000 TYR 275 0.840 22.626 -8.220 10.962 -99.200 -91.000 HIS 282 0.900 24.497 -20.371 21.450 -99.200 -91.000 TYR 292 0.840 24.080 -6.963 30.421 -99.200 -91.000 TYR 298 0.840 32.908 -10.633 40.309 -99.200 -91.000 PHE 304 1.000 32.531 5.962 47.936 -99.200 -91.000 TYR 317 0.840 36.020 -14.067 33.260 -99.200 -91.000 PHE 322 1.000 34.568 -19.281 21.328 -99.200 -91.000