============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. HIS 11 0.900 19.329 78.945 38.831 -99.200 -91.000 TYR 39 0.840 7.067 67.751 40.898 -99.200 -91.000 PHE 74 1.000 -7.615 66.225 28.638 -99.200 -91.000 HIS 90 0.900 11.144 60.664 11.832 -99.200 -91.000 PHE 100 1.000 29.538 41.562 18.657 -99.200 -91.000 PHE 103 1.000 32.465 45.587 18.373 -99.200 -91.000 HIS 132 0.900 3.447 68.284 34.180 -99.200 -91.000 PHE 146 1.000 15.071 47.356 28.007 -99.200 -91.000 HIS 149 0.900 15.622 42.399 35.384 -99.200 -91.000 TYR 172 0.840 19.253 54.277 17.220 -99.200 -91.000 HIS 180 0.900 13.083 48.538 14.716 -99.200 -91.000 HIS 186 0.900 26.907 46.061 27.825 -99.200 -91.000 HIS 189 0.900 23.010 35.205 29.560 -99.200 -91.000 TYR 197 0.840 19.313 41.395 16.362 -99.200 -91.000 PHE 204 1.000 17.854 39.846 32.381 -99.200 -91.000 HIS 234 0.900 30.453 62.729 39.987 -99.200 -91.000 HIS 237 0.900 30.221 70.594 40.881 -99.200 -91.000 HIS 254 0.900 55.755 84.264 50.710 -99.200 -91.000 PHE 258 1.000 46.550 80.651 48.950 -99.200 -91.000 HIS 259 0.900 44.795 87.343 56.958 -99.200 -91.000 PHE 261 1.000 42.806 93.591 54.761 -99.200 -91.000 HIS 263 0.900 41.513 85.839 48.915 -99.200 -91.000 HIS 269 0.900 33.917 89.254 42.807 -99.200 -91.000 PHE 288 1.000 57.482 70.374 52.779 -99.200 -91.000 HIS 291 0.900 51.751 78.612 57.816 -99.200 -91.000 HIS 292 0.900 53.904 83.692 62.117 -99.200 -91.000 TYR 304 0.840 50.450 88.370 38.666 -99.200 -91.000 TRP 312 1.040 43.020 81.278 36.437 -99.200 -91.000 TRP6 312 1.020 43.568 82.915 34.860 -99.200 -91.000 HIS 322 0.900 23.882 80.031 36.386 -99.200 -91.000 HIS 324 0.900 25.104 70.462 41.612 -99.200 -91.000 HIS 349 0.900 -1.426 74.724 27.901 -99.200 -91.000 HIS 350 0.900 0.074 71.656 20.314 -99.200 -91.000 PHE 354 1.000 10.697 70.735 21.376 -99.200 -91.000 PHE 377 1.000 51.848 74.859 30.931 -99.200 -91.000 TYR 403 0.840 68.636 64.316 30.955 -99.200 -91.000 HIS 404 0.900 61.230 62.079 38.302 -99.200 -91.000 TYR 415 0.840 48.626 65.559 29.154 -99.200 -91.000 HIS 421 0.900 40.391 72.581 18.652 -99.200 -91.000 HIS 429 0.900 30.820 76.434 14.943 -99.200 -91.000 HIS 464 0.900 50.123 70.909 39.651 -99.200 -91.000 TYR 466 0.840 55.531 61.018 38.627 -99.200 -91.000 PHE 479 1.000 62.141 72.541 54.388 -99.200 -91.000 PHE 481 1.000 72.974 69.322 52.960 -99.200 -91.000 PHE 485 1.000 75.737 72.927 54.414 -99.200 -91.000 HIS 496 0.900 89.515 73.361 58.174 -99.200 -91.000 PHE 497 1.000 88.507 79.420 57.982 -99.200 -91.000 TYR 527 0.840 76.753 74.527 38.809 -99.200 -91.000 TRP 533 1.040 77.221 70.136 48.101 -99.200 -91.000 TRP6 533 1.020 76.418 71.839 49.550 -99.200 -91.000 HIS 534 0.900 85.175 70.459 45.666 -99.200 -91.000 PHE 537 1.000 81.056 74.856 51.927 -99.200 -91.000 PHE 539 1.000 79.461 83.850 45.424 -99.200 -91.000 TRP 561 1.040 86.092 76.313 56.012 -99.200 -91.000 TRP6 561 1.020 85.038 77.733 54.440 -99.200 -91.000 PHE 580 1.000 62.900 60.062 50.068 -99.200 -91.000 TRP 581 1.040 66.270 57.746 47.447 -99.200 -91.000 TRP6 581 1.020 64.264 57.557 46.212 -99.200 -91.000 TYR 593 0.840 60.359 68.842 57.277 -99.200 -91.000 TYR 602 0.840 54.024 61.960 50.692 -99.200 -91.000 PHE 604 1.000 43.929 57.958 46.540 -99.200 -91.000 PHE 619 1.000 72.142 56.498 42.852 -99.200 -91.000 TYR 635 0.840 43.379 59.027 32.639 -99.200 -91.000