============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 2 0.840 18.149 43.361 -47.352 -99.200 -91.000 PHE 10 1.000 21.566 39.754 -42.768 -99.200 -91.000 TYR 12 0.840 15.918 33.889 -38.569 -99.200 -91.000 TYR 19 0.840 11.136 39.799 -27.457 -99.200 -91.000 TYR 39 0.840 13.547 38.633 -16.513 -99.200 -91.000 PHE 41 1.000 15.573 34.701 -10.374 -99.200 -91.000 TYR 42 0.840 7.363 35.227 -10.990 -99.200 -91.000 PHE 49 1.000 14.093 28.683 -22.214 -99.200 -91.000 PHE 62 1.000 18.907 34.917 -16.557 -99.200 -91.000 PHE 70 1.000 16.475 29.442 -18.064 -99.200 -91.000 PHE 83 1.000 27.443 37.437 -11.671 -99.200 -91.000 TRP 91 1.040 23.254 39.714 9.398 -99.200 -91.000 TRP6 91 1.020 24.929 41.176 10.178 -99.200 -91.000 TRP 96 1.040 39.232 32.129 5.607 -99.200 -91.000 TRP6 96 1.020 37.031 31.718 4.870 -99.200 -91.000 TRP 102 1.040 40.499 25.135 8.339 -99.200 -91.000 TRP6 102 1.020 38.503 25.720 7.233 -99.200 -91.000 TYR 121 0.840 30.115 28.652 6.160 -99.200 -91.000 TYR 128 0.840 22.789 25.694 14.753 -99.200 -91.000 PHE 131 1.000 32.899 26.398 12.844 -99.200 -91.000 HIS 162 0.900 29.642 24.428 -22.173 -99.200 -91.000 PHE 171 1.000 24.908 28.230 -11.476 -99.200 -91.000 PHE 173 1.000 22.424 21.153 -14.623 -99.200 -91.000 HIS 177 0.900 17.221 11.299 -16.857 -99.200 -91.000 PHE 178 1.000 21.810 10.419 -21.388 -99.200 -91.000 PHE 197 1.000 24.447 17.459 -12.876 -99.200 -91.000 TRP 204 1.040 17.752 4.657 -10.057 -99.200 -91.000 TRP6 204 1.020 19.284 4.806 -8.265 -99.200 -91.000 TYR 209 0.840 29.841 12.792 -17.684 -99.200 -91.000 TYR 217 0.840 34.327 32.392 -0.614 -99.200 -91.000 PHE 225 1.000 26.975 14.029 -9.556 -99.200 -91.000 PHE 232 1.000 26.765 -3.129 -15.797 -99.200 -91.000 PHE 241 1.000 33.853 21.304 -8.982 -99.200 -91.000 TYR 244 0.840 38.746 29.063 -1.043 -99.200 -91.000 TRP 254 1.040 23.031 14.799 -1.014 -99.200 -91.000 TRP6 254 1.020 21.579 15.675 0.623 -99.200 -91.000 TYR 266 0.840 24.054 1.816 -6.506 -99.200 -91.000 PHE 270 1.000 32.189 10.693 -7.734 -99.200 -91.000 TYR 277 0.840 42.956 25.861 2.199 -99.200 -91.000 TRP 280 1.040 30.718 19.959 7.970 -99.200 -91.000 TRP6 280 1.020 30.109 18.336 9.574 -99.200 -91.000 PHE 283 1.000 37.313 14.556 -4.283 -99.200 -91.000 TYR 301 0.840 21.255 -3.482 -5.468 -99.200 -91.000 TYR 306 0.840 24.524 -5.928 -2.785 -99.200 -91.000 HIS 309 0.900 28.343 2.276 6.506 -99.200 -91.000 HIS 315 0.900 30.187 5.924 -7.044 -99.200 -91.000 PHE 330 1.000 38.685 9.049 -1.185 -99.200 -91.000 TYR 338 0.840 39.882 -3.545 -7.919 -99.200 -91.000 TYR 353 0.840 34.815 7.312 9.010 -99.200 -91.000 HIS 357 0.900 34.334 -7.077 3.966 -99.200 -91.000 PHE 361 1.000 40.621 1.841 -0.162 -99.200 -91.000 PHE 374 1.000 38.743 19.117 14.794 -99.200 -91.000 TYR 380 0.840 37.769 2.984 11.009 -99.200 -91.000 PHE 442 1.000 72.851 9.059 4.346 -99.200 -91.000 TYR 444 0.840 70.544 8.167 14.002 -99.200 -91.000 HIS 454 0.900 53.546 -3.226 15.682 -99.200 -91.000 TYR 466 0.840 71.159 -1.892 16.994 -99.200 -91.000 HIS 468 0.900 76.106 -0.469 17.347 -99.200 -91.000 TYR 479 0.840 79.978 -2.961 18.251 -99.200 -91.000 HIS 499 0.900 83.087 -3.939 21.729 -99.200 -91.000 PHE 509 1.000 78.882 -16.415 30.414 -99.200 -91.000 PHE 518 1.000 66.692 -21.667 30.749 -99.200 -91.000 PHE 525 1.000 78.432 -24.987 21.819 -99.200 -91.000 TYR 528 0.840 75.172 -24.994 32.214 -99.200 -91.000 TRP 529 1.040 79.472 -17.966 35.971 -99.200 -91.000 TRP6 529 1.020 81.642 -18.090 35.047 -99.200 -91.000