============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 74 rings ring int. center anis. iso. TYR 5 0.840 19.311 2.524 25.532 -99.200 -91.000 HIS 43 0.900 41.314 -16.944 13.102 -99.200 -91.000 HIS 69 0.900 31.006 -33.061 22.519 -99.200 -91.000 PHE 70 1.000 31.009 -34.133 31.770 -99.200 -91.000 TRP 79 1.040 39.761 -34.384 35.703 -99.200 -91.000 TRP6 79 1.020 40.934 -35.999 34.436 -99.200 -91.000 PHE 89 1.000 30.570 -27.831 23.765 -99.200 -91.000 TRP 103 1.040 18.734 -20.318 11.786 -99.200 -91.000 TRP6 103 1.020 20.087 -19.273 13.419 -99.200 -91.000 TRP 107 1.040 25.263 -28.467 9.332 -99.200 -91.000 TRP6 107 1.020 27.265 -27.938 10.477 -99.200 -91.000 HIS 111 0.900 27.652 -42.039 -0.371 -99.200 -91.000 PHE 131 1.000 19.964 -47.429 10.226 -99.200 -91.000 HIS 133 0.900 20.898 -41.236 1.018 -99.200 -91.000 HIS 137 0.900 29.393 -38.910 6.827 -99.200 -91.000 PHE 141 1.000 39.305 -31.374 13.650 -99.200 -91.000 TRP 147 1.040 35.839 -41.386 13.436 -99.200 -91.000 TRP6 147 1.020 36.202 -41.884 11.154 -99.200 -91.000 TYR 151 0.840 32.631 -33.255 6.903 -99.200 -91.000 HIS 158 0.900 32.384 -18.817 3.508 -99.200 -91.000 PHE 162 1.000 29.889 -15.439 4.173 -99.200 -91.000 HIS 186 0.900 34.796 0.730 35.508 -99.200 -91.000 TYR 192 0.840 26.255 1.894 34.720 -99.200 -91.000 TYR 207 0.840 28.401 2.722 19.689 -99.200 -91.000 TYR 219 0.840 45.155 -14.789 25.113 -99.200 -91.000 TYR 223 0.840 52.348 -16.850 22.149 -99.200 -91.000 PHE 256 1.000 52.212 -22.542 21.425 -99.200 -91.000 HIS 257 0.900 47.553 -27.253 13.516 -99.200 -91.000 PHE 262 1.000 59.425 -21.279 9.747 -99.200 -91.000 HIS 285 0.900 64.526 -40.974 10.894 -99.200 -91.000 PHE 287 1.000 60.084 -35.567 13.423 -99.200 -91.000 TYR 291 0.840 61.548 -37.952 19.164 -99.200 -91.000 HIS 311 0.900 63.958 -35.277 15.064 -99.200 -91.000 TYR 322 0.840 61.615 -16.003 6.080 -99.200 -91.000 HIS 325 0.900 61.557 -25.387 7.605 -99.200 -91.000 TRP 327 1.040 61.956 -30.551 5.268 -99.200 -91.000 TRP6 327 1.020 61.579 -28.649 3.912 -99.200 -91.000 HIS 337 0.900 43.986 -39.305 0.245 -99.200 -91.000 TYR 351 0.840 45.604 -20.303 -5.149 -99.200 -91.000 PHE 352 1.000 48.112 -18.163 0.718 -99.200 -91.000 TRP 361 1.040 58.979 -34.120 1.259 -99.200 -91.000 TRP6 361 1.020 61.015 -34.873 2.200 -99.200 -91.000 HIS 369 0.900 44.530 -23.428 15.774 -99.200 -91.000 TYR 370 0.840 40.334 -21.925 21.631 -99.200 -91.000 TYR 379 0.840 24.958 -20.728 36.123 -99.200 -91.000 PHE 389 1.000 25.639 -11.204 31.125 -99.200 -91.000 TRP 397 1.040 30.283 -20.541 29.727 -99.200 -91.000 TRP6 397 1.020 29.432 -21.898 27.987 -99.200 -91.000 HIS 400 0.900 37.188 -24.609 25.081 -99.200 -91.000 PHE 402 1.000 45.584 -24.635 33.011 -99.200 -91.000 TYR 423 0.840 21.786 -18.480 31.778 -99.200 -91.000 PHE 424 1.000 24.103 -9.207 26.485 -99.200 -91.000 HIS 427 0.900 22.335 -7.532 33.000 -99.200 -91.000 PHE 443 1.000 34.631 5.374 32.339 -99.200 -91.000 TYR 450 0.840 45.640 6.317 25.498 -99.200 -91.000 PHE 464 1.000 54.098 -0.156 12.788 -99.200 -91.000 PHE 481 1.000 58.947 -29.221 25.493 -99.200 -91.000 HIS 486 0.900 65.260 -20.059 29.161 -99.200 -91.000 TYR 498 0.840 52.280 -0.938 30.488 -99.200 -91.000 HIS 512 0.900 41.356 11.898 8.685 -99.200 -91.000 TYR 521 0.840 43.745 2.930 19.539 -99.200 -91.000 HIS 547 0.900 52.133 -23.606 32.503 -99.200 -91.000 TYR 552 0.840 58.427 -26.177 39.603 -99.200 -91.000 TRP 560 1.040 50.505 -25.237 41.330 -99.200 -91.000 TRP6 560 1.020 50.293 -22.882 41.254 -99.200 -91.000 TRP 568 1.040 47.275 -3.297 35.360 -99.200 -91.000 TRP6 568 1.020 48.853 -4.622 34.196 -99.200 -91.000 TYR 580 0.840 47.072 -18.715 41.462 -99.200 -91.000 TYR 594 0.840 46.756 -41.610 30.959 -99.200 -91.000 TYR 597 0.840 46.213 -35.038 26.434 -99.200 -91.000 TYR 603 0.840 47.327 -38.581 37.901 -99.200 -91.000 HIS 631 0.900 18.943 -38.852 29.667 -99.200 -91.000 TYR 640 0.840 23.676 -30.153 32.759 -99.200 -91.000 TYR 646 0.840 18.926 -22.720 23.763 -99.200 -91.000