============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 14 0.840 8.160 45.855 -59.575 -99.200 -91.000 HIS 40 0.900 10.140 50.676 -45.458 -99.200 -91.000 PHE 52 1.000 6.688 41.093 -37.019 -99.200 -91.000 TYR 63 0.840 5.178 29.586 -30.204 -99.200 -91.000 PHE 83 1.000 -1.540 48.602 -30.587 -99.200 -91.000 TYR 93 0.840 -4.889 39.247 -31.580 -99.200 -91.000 TYR 131 0.840 17.894 34.791 -17.827 -99.200 -91.000 TYR 139 0.840 6.100 50.093 -21.983 -99.200 -91.000 TYR 169 0.840 17.113 45.630 -11.359 -99.200 -91.000 TRP 171 1.040 10.009 43.851 -16.374 -99.200 -91.000 TRP6 171 1.020 8.862 43.467 -18.410 -99.200 -91.000 PHE 173 1.000 5.116 43.409 -14.457 -99.200 -91.000 TYR 185 0.840 -0.596 39.222 -12.646 -99.200 -91.000 TRP 191 1.040 16.045 41.932 -7.922 -99.200 -91.000 TRP6 191 1.020 17.669 42.843 -6.460 -99.200 -91.000 HIS 192 0.900 15.710 48.550 -7.893 -99.200 -91.000 PHE 195 1.000 3.003 43.020 -10.447 -99.200 -91.000 HIS 208 0.900 4.269 31.373 -5.503 -99.200 -91.000 PHE 209 1.000 5.452 39.959 -5.167 -99.200 -91.000 HIS 222 0.900 -9.438 46.174 -7.629 -99.200 -91.000 PHE 223 1.000 -3.480 40.575 -7.357 -99.200 -91.000 TYR 228 0.840 -8.646 27.506 -10.786 -99.200 -91.000 PHE 234 1.000 -1.436 29.650 -0.482 -99.200 -91.000 TYR 243 0.840 16.056 30.805 -7.036 -99.200 -91.000 TRP 245 1.040 20.957 31.903 -7.662 -99.200 -91.000 TRP6 245 1.020 20.619 33.441 -5.907 -99.200 -91.000 PHE 266 1.000 -7.397 34.627 -4.434 -99.200 -91.000 TYR 271 0.840 0.764 30.894 4.574 -99.200 -91.000 HIS 273 0.900 5.228 29.896 2.535 -99.200 -91.000 HIS 279 0.900 6.866 48.469 6.229 -99.200 -91.000 TYR 287 0.840 -17.732 37.714 0.038 -99.200 -91.000 PHE 302 1.000 3.613 42.575 8.826 -99.200 -91.000 PHE 304 1.000 -3.201 43.659 7.596 -99.200 -91.000 TRP 308 1.040 -13.387 44.128 4.596 -99.200 -91.000 TRP6 308 1.020 -15.226 44.838 5.897 -99.200 -91.000 PHE 319 1.000 -10.966 34.491 8.663 -99.200 -91.000 TYR 323 0.840 -1.017 30.730 12.908 -99.200 -91.000 PHE 324 1.000 1.457 39.069 13.799 -99.200 -91.000 HIS 333 0.900 9.330 48.067 13.053 -99.200 -91.000 HIS 340 0.900 -14.647 45.989 10.942 -99.200 -91.000 PHE 363 1.000 10.761 42.842 20.123 -99.200 -91.000 PHE 365 1.000 5.599 46.657 19.223 -99.200 -91.000 TRP 376 1.040 -9.390 32.545 20.996 -99.200 -91.000 TRP6 376 1.020 -9.487 30.327 21.807 -99.200 -91.000 PHE 389 1.000 -3.723 42.788 21.757 -99.200 -91.000 PHE 394 1.000 -9.518 43.060 22.546 -99.200 -91.000 TYR 400 0.840 -3.801 38.206 28.657 -99.200 -91.000 TYR 412 0.840 -16.795 48.424 24.433 -99.200 -91.000 TYR 426 0.840 2.934 40.365 38.779 -99.200 -91.000 TYR 429 0.840 -5.245 43.928 32.011 -99.200 -91.000 TYR 465 0.840 -10.013 43.188 39.374 -99.200 -91.000 PHE 471 1.000 -3.912 58.772 50.386 -99.200 -91.000 TYR 506 0.840 -11.533 49.447 39.440 -99.200 -91.000