============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. PHE 8 1.000 49.349 5.276 63.854 -99.200 -91.000 TYR 33 0.840 33.879 44.533 72.534 -99.200 -91.000 HIS 37 0.900 21.979 42.614 81.233 -99.200 -91.000 PHE 44 1.000 13.989 46.777 45.463 -99.200 -91.000 PHE 75 1.000 16.665 44.455 41.196 -99.200 -91.000 TYR 77 0.840 17.403 42.303 35.284 -99.200 -91.000 PHE 83 1.000 20.327 39.022 42.059 -99.200 -91.000 HIS 109 0.900 14.022 34.644 77.209 -99.200 -91.000 HIS 128 0.900 28.253 41.975 63.436 -99.200 -91.000 PHE 137 1.000 16.242 38.983 62.511 -99.200 -91.000 PHE 139 1.000 23.796 32.834 68.157 -99.200 -91.000 TRP 141 1.040 16.852 35.636 59.238 -99.200 -91.000 TRP6 141 1.020 16.735 35.369 56.897 -99.200 -91.000 PHE 153 1.000 35.165 32.793 69.024 -99.200 -91.000 TYR 160 0.840 34.875 32.496 79.471 -99.200 -91.000 TYR 182 0.840 44.018 28.551 63.095 -99.200 -91.000 PHE 185 1.000 44.844 18.071 62.783 -99.200 -91.000 PHE 199 1.000 39.082 21.227 71.380 -99.200 -91.000 HIS 212 0.900 36.357 37.029 70.033 -99.200 -91.000 TYR 221 0.840 24.218 34.010 44.392 -99.200 -91.000 PHE 229 1.000 14.777 35.766 25.485 -99.200 -91.000 HIS 230 0.900 13.014 34.960 30.038 -99.200 -91.000 HIS 235 0.900 15.348 33.677 33.829 -99.200 -91.000 PHE 236 1.000 19.603 33.723 41.888 -99.200 -91.000 PHE 238 1.000 21.710 28.707 42.984 -99.200 -91.000 PHE 243 1.000 31.834 23.787 53.269 -99.200 -91.000 TRP 260 1.040 17.415 30.070 52.580 -99.200 -91.000 TRP6 260 1.020 17.329 32.156 51.454 -99.200 -91.000 PHE 276 1.000 21.810 44.328 49.642 -99.200 -91.000 PHE 283 1.000 31.519 40.948 33.023 -99.200 -91.000 HIS 284 0.900 26.387 47.723 33.195 -99.200 -91.000 PHE 305 1.000 30.205 36.448 29.352 -99.200 -91.000 PHE 308 1.000 27.290 41.044 28.593 -99.200 -91.000 HIS 311 0.900 19.568 44.599 26.735 -99.200 -91.000 HIS 319 0.900 15.869 49.851 16.356 -99.200 -91.000 PHE 324 1.000 21.751 45.408 16.230 -99.200 -91.000 TRP 328 1.040 34.204 36.143 17.740 -99.200 -91.000 TRP6 328 1.020 35.522 34.315 17.000 -99.200 -91.000 PHE 330 1.000 36.845 32.252 22.198 -99.200 -91.000 PHE 331 1.000 29.717 26.504 28.703 -99.200 -91.000 HIS 335 0.900 32.802 14.471 31.862 -99.200 -91.000 TYR 340 0.840 27.240 22.508 25.083 -99.200 -91.000 PHE 342 1.000 21.939 28.964 30.690 -99.200 -91.000 HIS 348 0.900 16.467 31.362 19.962 -99.200 -91.000 PHE 349 1.000 20.615 33.510 23.042 -99.200 -91.000 HIS 352 0.900 16.129 32.284 15.663 -99.200 -91.000 HIS 357 0.900 32.514 33.329 14.263 -99.200 -91.000 PHE 362 1.000 32.291 19.769 24.983 -99.200 -91.000 TYR 371 0.840 41.444 23.639 31.688 -99.200 -91.000 HIS 379 0.900 38.830 29.889 16.720 -99.200 -91.000 HIS 393 0.900 33.902 47.473 25.062 -99.200 -91.000 TYR 395 0.840 32.100 42.566 27.938 -99.200 -91.000 HIS 408 0.900 47.389 38.972 31.770 -99.200 -91.000 TYR 439 0.840 41.548 41.448 29.820 -99.200 -91.000 TRP 444