============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 71 rings ring int. center anis. iso. HIS 9 0.900 -24.007 -39.964 56.897 -99.200 -91.000 PHE 16 1.000 -20.553 -58.450 70.240 -99.200 -91.000 PHE 22 1.000 -19.296 -55.367 85.233 -99.200 -91.000 PHE 29 1.000 -19.947 -50.709 67.009 -99.200 -91.000 PHE 34 1.000 -17.062 -35.771 64.517 -99.200 -91.000 PHE 44 1.000 -7.028 -22.420 58.597 -99.200 -91.000 TRP 53 1.040 -20.037 -46.529 55.526 -99.200 -91.000 TRP6 53 1.020 -20.088 -44.654 56.966 -99.200 -91.000 PHE 55 1.000 -20.183 -52.929 48.690 -99.200 -91.000 TYR 62 0.840 -7.566 -47.848 69.789 -99.200 -91.000 PHE 80 1.000 -4.413 -35.655 81.720 -99.200 -91.000 TYR 97 0.840 -11.806 -40.640 61.319 -99.200 -91.000 TYR 101 0.840 -14.762 -47.266 74.060 -99.200 -91.000 TRP 117 1.040 -13.345 -37.722 77.563 -99.200 -91.000 TRP6 117 1.020 -13.415 -36.843 79.757 -99.200 -91.000 HIS 119 0.900 -9.173 -34.343 73.044 -99.200 -91.000 TYR 131 0.840 -9.133 -39.155 77.767 -99.200 -91.000 HIS 139 0.900 -17.143 -51.781 86.769 -99.200 -91.000 TYR 149 0.840 -11.653 -30.960 70.805 -99.200 -91.000 TRP 154 1.040 -4.244 -28.160 60.890 -99.200 -91.000 TRP6 154 1.020 -2.281 -28.242 62.210 -99.200 -91.000 PHE 156 1.000 -10.220 -24.380 69.078 -99.200 -91.000 PHE 157 1.000 -5.646 -17.981 60.984 -99.200 -91.000 HIS 163 0.900 -12.697 -12.101 54.482 -99.200 -91.000 TRP 168 1.040 -11.951 -22.699 62.090 -99.200 -91.000 TRP6 168 1.020 -13.806 -21.691 61.013 -99.200 -91.000 HIS 170 0.900 -14.975 -24.605 71.481 -99.200 -91.000 TRP 179 1.040 -22.547 -39.710 63.349 -99.200 -91.000 TRP6 179 1.020 -22.415 -41.483 64.909 -99.200 -91.000 PHE 187 1.000 -23.388 -47.262 66.691 -99.200 -91.000 PHE 197 1.000 -18.029 -38.104 80.335 -99.200 -91.000 PHE 219 1.000 -25.641 -29.463 76.043 -99.200 -91.000 HIS 220 0.900 -31.236 -34.479 75.940 -99.200 -91.000 HIS 263 0.900 -5.848 -18.518 48.197 -99.200 -91.000 PHE 282 1.000 0.567 -21.539 69.352 -99.200 -91.000 PHE 320 1.000 -26.827 -19.835 81.482 -99.200 -91.000 HIS 321 0.900 -32.378 -25.491 76.657 -99.200 -91.000 TYR 325 0.840 -22.215 -26.770 83.685 -99.200 -91.000 PHE 334 1.000 -0.063 -23.632 87.585 -99.200 -91.000 TRP 336 1.040 4.770 -32.855 88.984 -99.200 -91.000 TRP6 336 1.020 4.328 -34.508 87.346 -99.200 -91.000 TYR 344 0.840 4.640 -21.148 86.798 -99.200 -91.000 TRP 361 1.040 4.871 -8.443 84.407 -99.200 -91.000 TRP6 361 1.020 2.774 -7.605 83.705 -99.200 -91.000 TYR 364 0.840 -1.795 -9.824 81.563 -99.200 -91.000 TYR 381 0.840 -4.597 -16.685 97.115 -99.200 -91.000 PHE 395 1.000 3.269 -17.853 92.439 -99.200 -91.000 PHE 404 1.000 -7.656 -25.124 86.003 -99.200 -91.000 HIS 415 0.900 -26.621 -24.493 84.897 -99.200 -91.000 TYR 423 0.840 -26.873 -32.057 91.800 -99.200 -91.000 TYR 425 0.840 -16.078 -32.867 90.722 -99.200 -91.000 PHE 427 1.000 -10.582 -37.206 92.599 -99.200 -91.000 TYR 429 0.840 -7.432 -41.795 96.178 -99.200 -91.000 PHE 433 1.000 -4.564 -46.493 88.487 -99.200 -91.000 HIS 446 0.900 -6.023 -29.723 84.967 -99.200 -91.000 PHE 451 1.000 -5.012 -41.699 86.140 -99.200 -91.000 PHE 454 1.000 -13.253 -41.436 80.725 -99.200 -91.000 PHE 458 1.000 -13.315 -51.170 88.665 -99.200 -91.000 PHE 477 1.000 -21.767 -39.775 94.399 -99.200 -91.000 TRP 478 1.040 -18.502 -38.032 86.428 -99.200 -91.000 TRP6 478 1.020 -18.095 -37.265 88.631 -99.200 -91.000 PHE 481 1.000 -25.404 -34.245 86.350 -99.200 -91.000 HIS 494 0.900 -28.014 -35.726 100.294 -99.200 -91.000 TRP 495 1.040 -22.810 -33.880 94.752 -99.200 -91.000 TRP6 495 1.020 -21.398 -34.933 93.166 -99.200 -91.000 TYR 498 0.840 -22.883 -23.999 94.354 -99.200 -91.000 TYR 504 0.840 -17.591 -27.969 98.779 -99.200 -91.000 PHE 524 1.000 -7.708 -11.072 97.019 -99.200 -91.000 TRP 525 1.040 -8.663 -14.523 93.470 -99.200 -91.000 TRP6 525 1.020 -6.646 -13.544 92.711 -99.200 -91.000 PHE 529 1.000 -8.908 -10.994 88.190 -99.200 -91.000