============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. TYR 5 0.840 -13.658 -1.869 10.591 -99.200 -91.000 TRP 7 1.040 -10.489 3.130 8.405 -99.200 -91.000 TRP6 7 1.020 -12.739 2.934 9.073 -99.200 -91.000 HIS 34 0.900 -16.821 15.001 43.364 -99.200 -91.000 HIS 35 0.900 -20.945 19.801 37.657 -99.200 -91.000 TYR 39 0.840 -15.897 10.379 29.353 -99.200 -91.000 PHE 55 1.000 -7.140 -5.718 14.939 -99.200 -91.000 HIS 64 0.900 -6.250 -30.406 19.656 -99.200 -91.000 TYR 65 0.840 -11.452 -23.380 13.683 -99.200 -91.000 HIS 96 0.900 -38.877 5.568 20.597 -99.200 -91.000 PHE 102 1.000 -33.832 2.372 0.327 -99.200 -91.000 TYR 104 0.840 -39.530 1.354 5.187 -99.200 -91.000 HIS 119 0.900 -40.135 0.875 -0.159 -99.200 -91.000 TRP 124 1.040 -38.024 -13.066 1.633 -99.200 -91.000 TRP6 124 1.020 -36.779 -13.746 3.518 -99.200 -91.000 PHE 146 1.000 -17.781 4.609 28.732 -99.200 -91.000 PHE 163 1.000 -27.041 1.884 11.805 -99.200 -91.000 TYR 177 0.840 -36.553 -13.740 17.428 -99.200 -91.000 TYR 192 0.840 -26.448 -18.939 24.246 -99.200 -91.000 PHE 194 1.000 -25.790 -13.564 25.779 -99.200 -91.000 TYR 196 0.840 -26.857 -20.860 32.616 -99.200 -91.000 PHE 204 1.000 -22.486 -23.245 34.167 -99.200 -91.000 TRP 209 1.040 -14.387 -21.925 43.007 -99.200 -91.000 TRP6 209 1.020 -12.776 -21.042 41.529 -99.200 -91.000 PHE 218 1.000 -8.477 -19.287 31.474 -99.200 -91.000 TYR 220 0.840 -8.037 -15.038 25.756 -99.200 -91.000 PHE 225 1.000 -14.724 -12.425 19.536 -99.200 -91.000 TYR 241 0.840 -25.586 -18.948 11.938 -99.200 -91.000 TYR 262 0.840 -25.509 -11.797 8.586 -99.200 -91.000 TYR 277 0.840 -15.713 -3.746 1.200 -99.200 -91.000 TYR 297 0.840 -18.541 -24.271 22.856 -99.200 -91.000 PHE 340 1.000 -7.534 -20.349 26.465 -99.200 -91.000 TYR 347 0.840 -7.315 -22.055 17.235 -99.200 -91.000 TYR 359 0.840 -4.682 -20.819 41.505 -99.200 -91.000 HIS 375 0.900 -23.825 -13.950 55.893 -99.200 -91.000 TYR 383 0.840 -21.848 -18.559 47.429 -99.200 -91.000 TYR 384 0.840 -24.286 -10.000 46.223 -99.200 -91.000 TRP 398 1.040 -26.465 11.649 29.671 -99.200 -91.000 TRP6 398 1.020 -24.580 12.982 29.212 -99.200 -91.000 HIS 403 0.900 -36.982 10.345 26.850 -99.200 -91.000 TRP 409 1.040 -33.251 4.764 35.204 -99.200 -91.000 TRP6 409 1.020 -35.103 3.953 36.421 -99.200 -91.000 TYR 416 0.840 -25.232 -5.918 37.788 -99.200 -91.000 TRP 421 1.040 -23.828 -1.803 43.186 -99.200 -91.000 TRP6 421 1.020 -24.812 -1.664 41.047 -99.200 -91.000 HIS 429 0.900 -31.600 9.703 41.627 -99.200 -91.000 PHE 430 1.000 -33.063 6.528 38.290 -99.200 -91.000 PHE 431 1.000 -39.727 2.260 42.885 -99.200 -91.000 TYR 449 0.840 -28.813 -12.295 29.770 -99.200 -91.000 TYR 453 0.840 -37.219 -7.987 27.477 -99.200 -91.000 HIS 468 0.900 -31.580 -10.672 40.809 -99.200 -91.000 PHE 473 1.000 -37.779 -8.512 46.788 -99.200 -91.000 HIS 476 0.900 -28.450 -9.721 57.588 -99.200 -91.000 TYR 478 0.840 -25.376 -6.505 50.692 -99.200 -91.000 TRP 501 1.040 -27.413 7.324 48.573 -99.200 -91.000 TRP6 501 1.020 -28.866 8.252 46.970 -99.200 -91.000 HIS 503 0.900 -30.087 9.366 57.650 -99.200 -91.000 TYR 525 0.840 -42.784 -8.332 49.010 -99.200 -91.000 PHE 527 1.000 -37.346 1.779 48.469 -99.200 -91.000 TRP 529 1.040 -33.085 -1.301 51.268 -99.200 -91.000 TRP6 529 1.020 -32.149 0.785 51.851 -99.200 -91.000 TRP 551 1.040 -38.468 -11.189 30.377 -99.200 -91.000 TRP6 551 1.020 -38.105 -9.565 32.050 -99.200 -91.000 PHE 552 1.000 -33.376 -13.508 32.430 -99.200 -91.000 TYR 556 0.840 -32.592 -12.209 21.105 -99.200 -91.000 TYR 562 0.840 -40.778 -3.282 22.094 -99.200 -91.000 HIS 563 0.900 -37.757 -10.575 22.998 -99.200 -91.000