============================================================================= 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. HIS 23 0.900 33.383 60.415 47.214 -99.200 -91.000 PHE 24 1.000 33.399 52.750 51.270 -99.200 -91.000 TRP 26 1.040 24.918 55.257 45.779 -99.200 -91.000 TRP6 26 1.020 23.106 56.676 45.211 -99.200 -91.000 PHE 32 1.000 29.628 53.497 54.572 -99.200 -91.000 TYR 33 0.840 20.765 49.593 58.881 -99.200 -91.000 HIS 36 0.900 22.116 56.687 69.465 -99.200 -91.000 PHE 60 1.000 26.951 61.711 65.708 -99.200 -91.000 HIS 63 0.900 32.877 65.052 75.456 -99.200 -91.000 TRP 66 1.040 35.419 56.856 63.253 -99.200 -91.000 TRP6 66 1.020 33.675 56.482 64.807 -99.200 -91.000 HIS 68 0.900 37.737 54.772 59.302 -99.200 -91.000 HIS 75 0.900 46.341 48.748 53.003 -99.200 -91.000 PHE 76 1.000 48.267 43.920 46.665 -99.200 -91.000 TYR 79 0.840 56.899 38.222 48.498 -99.200 -91.000 TYR 91 0.840 57.879 28.422 45.708 -99.200 -91.000 HIS 121 0.900 39.962 26.360 40.090 -99.200 -91.000 TYR 124 0.840 48.725 24.168 40.951 -99.200 -91.000 TYR 128 0.840 57.250 34.322 48.955 -99.200 -91.000 TRP 134 1.040 46.261 40.818 37.193 -99.200 -91.000 TRP6 134 1.020 47.075 43.017 37.563 -99.200 -91.000 TRP 140 1.040 52.751 28.794 36.794 -99.200 -91.000 TRP6 140 1.020 51.228 27.800 38.322 -99.200 -91.000 TYR 146 0.840 54.588 38.147 38.535 -99.200 -91.000 TRP 162 1.040 35.937 50.757 62.371 -99.200 -91.000 TRP6 162 1.020 37.249 49.689 60.728 -99.200 -91.000 TYR 163 0.840 32.356 47.041 71.421 -99.200 -91.000 TRP 186 1.040 40.385 47.279 53.171 -99.200 -91.000 TRP6 186 1.020 38.495 48.572 52.568 -99.200 -91.000 TYR 200 0.840 46.203 61.328 56.862 -99.200 -91.000 TYR 208 0.840 59.199 47.478 58.945 -99.200 -91.000 TRP 239 1.040 55.484 41.215 53.425 -99.200 -91.000 TRP6 239 1.020 53.200 40.972 53.945 -99.200 -91.000 PHE 264 1.000 43.525 72.743 55.848 -99.200 -91.000 TRP 273 1.040 53.897 65.627 49.442 -99.200 -91.000 TRP6 273 1.020 53.737 66.160 47.135 -99.200 -91.000 PHE 284 1.000 55.589 59.079 56.609 -99.200 -91.000 TYR 300 0.840 35.880 72.085 45.414 -99.200 -91.000 HIS 324 0.900 33.683 74.433 40.151 -99.200 -91.000 PHE 326 1.000 39.868 72.521 41.257 -99.200 -91.000 TRP 358 1.040 28.746 72.543 32.448 -99.200 -91.000 TRP6 358 1.020 30.976 71.752 32.544 -99.200 -91.000 PHE 370 1.000 29.579 66.654 34.520 -99.200 -91.000 TYR 372 0.840 28.271 68.359 23.326 -99.200 -91.000 PHE 373 1.000 35.427 69.167 31.682 -99.200 -91.000 PHE 376 1.000 38.921 68.381 25.540 -99.200 -91.000 PHE 380 1.000 43.881 67.999 28.045 -99.200 -91.000 TRP 387 1.040 48.393 68.507 31.874 -99.200 -91.000 TRP6 387 1.020 46.250 69.377 32.372 -99.200 -91.000 PHE 391 1.000 53.066 67.471 40.376 -99.200 -91.000 TRP 436 1.040 24.789 65.335 35.801 -99.200 -91.000 TRP6 436 1.020 25.833 63.699 34.430 -99.200 -91.000 HIS 457 0.900 38.586 58.553 38.252 -99.200 -91.000 PHE 458 1.000 34.982 63.216 34.088 -99.200 -91.000 TYR 461 0.840