============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 5 0.840 12.153 -21.938 53.607 -99.200 -91.000 PHE 11 1.000 14.059 -16.676 55.342 -99.200 -91.000 TRP 17 1.040 10.872 -8.647 55.575 -99.200 -91.000 TRP6 17 1.020 13.060 -8.421 54.730 -99.200 -91.000 TRP 30 1.040 10.166 -20.233 44.637 -99.200 -91.000 TRP6 30 1.020 11.331 -20.260 42.580 -99.200 -91.000 PHE 39 1.000 27.268 -20.099 49.953 -99.200 -91.000 TYR 42 0.840 35.594 -20.162 40.579 -99.200 -91.000 PHE 50 1.000 32.201 -25.346 40.575 -99.200 -91.000 PHE 66 1.000 38.487 -19.512 53.466 -99.200 -91.000 PHE 74 1.000 31.491 -15.047 50.771 -99.200 -91.000 HIS 77 0.900 23.499 -15.303 40.002 -99.200 -91.000 PHE 79 1.000 14.816 -11.616 37.080 -99.200 -91.000 TRP 87 1.040 28.537 -11.172 35.577 -99.200 -91.000 TRP6 87 1.020 28.777 -10.418 37.806 -99.200 -91.000 PHE 96 1.000 41.837 -16.490 41.683 -99.200 -91.000 TRP 108 1.040 21.527 -15.878 43.524 -99.200 -91.000 TRP6 108 1.020 19.434 -14.816 43.174 -99.200 -91.000 HIS 110 0.900 18.601 -24.603 38.788 -99.200 -91.000 TYR 116 0.840 12.992 -7.660 40.025 -99.200 -91.000 PHE 132 1.000 24.059 -22.137 58.865 -99.200 -91.000 TYR 143 0.840 38.792 -15.068 56.837 -99.200 -91.000 HIS 149 0.900 35.017 -6.526 48.358 -99.200 -91.000 HIS 153 0.900 24.829 -6.954 37.749 -99.200 -91.000 HIS 158 0.900 19.104 -3.866 46.620 -99.200 -91.000 PHE 184 1.000 15.642 -4.787 46.293 -99.200 -91.000 PHE 200 1.000 34.635 1.332 51.587 -99.200 -91.000 HIS 205 0.900 24.209 4.531 42.557 -99.200 -91.000 PHE 217 1.000 16.286 -4.628 36.872 -99.200 -91.000 HIS 225 0.900 30.048 3.449 54.832 -99.200 -91.000 PHE 228 1.000 33.212 5.646 43.606 -99.200 -91.000 PHE 229 1.000 25.276 8.608 41.621 -99.200 -91.000 TRP 243 1.040 10.613 2.450 27.256 -99.200 -91.000 TRP6 243 1.020 10.788 1.424 29.390 -99.200 -91.000 PHE 249 1.000 16.228 -9.416 32.838 -99.200 -91.000 HIS 254 0.900 21.418 -3.734 35.916 -99.200 -91.000 PHE 258 1.000 28.624 -7.628 34.744 -99.200 -91.000 TYR 260 0.840 32.231 1.510 33.675 -99.200 -91.000 TYR 261 0.840 35.010 -4.582 42.014 -99.200 -91.000 PHE 271 1.000 37.607 2.118 35.459 -99.200 -91.000 TYR 274 0.840 38.201 13.792 39.051 -99.200 -91.000 TYR 279 0.840 28.010 13.502 33.705 -99.200 -91.000 PHE 282 1.000 33.669 14.815 36.233 -99.200 -91.000 PHE 288 1.000 40.741 18.753 36.614 -99.200 -91.000 HIS 300 0.900 39.743 -5.866 43.993 -99.200 -91.000 TYR 301 0.840 43.492 -2.196 43.496 -99.200 -91.000 PHE 305 1.000 38.039 8.971 49.668 -99.200 -91.000 PHE 316 1.000 33.715 10.395 46.106 -99.200 -91.000 PHE 317 1.000 27.857 12.985 39.830 -99.200 -91.000 PHE 326 1.000 34.544 -1.156 29.269 -99.200 -91.000 TRP 329 1.040 44.508 8.271 34.534 -99.200 -91.000 TRP6 329 1.020 44.311 6.150 33.512 -99.200 -91.000 TYR 331 0.840 45.312 14.348 31.613 -99.200 -91.000 TYR 346 0.840 37.940 21.553 13.312 -99.200 -91.000 TYR 352 0.840 53.071 14.622 20.933 -99.200 -91.000 TYR 361 0.840 42.096 13.812 23.580 -99.200 -91.000 PHE 364 1.000 35.322 28.463 20.828 -99.200 -91.000 HIS 374 0.900 38.324 29.958 22.734 -99.200 -91.000 PHE 382 1.000 47.608 7.487 26.429 -99.200 -91.000 PHE 392 1.000 46.712 25.858 17.637 -99.200 -91.000 TRP 394 1.040 45.165 26.960 12.278 -99.200 -91.000 TRP6 394 1.020 43.742 28.046 10.731 -99.200 -91.000 TYR 416 0.840 52.558 18.395 34.089 -99.200 -91.000 PHE 418 1.000 53.576 21.619 28.291 -99.200 -91.000 TYR 433 0.840 59.228 24.010 21.513 -99.200 -91.000