============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 29 0.840 20.542 31.627 27.689 -99.200 -91.000 PHE 35 1.000 36.479 39.465 13.780 -99.200 -91.000 TRP 38 1.040 42.630 34.751 4.121 -99.200 -91.000 TRP6 38 1.020 43.654 32.710 3.509 -99.200 -91.000 TYR 49 0.840 37.577 43.219 17.517 -99.200 -91.000 TYR 63 0.840 34.520 44.719 22.528 -99.200 -91.000 TYR 64 0.840 36.868 39.432 26.369 -99.200 -91.000 PHE 68 1.000 40.742 29.940 17.426 -99.200 -91.000 TYR 72 0.840 40.071 29.023 7.378 -99.200 -91.000 TRP 73 1.040 48.131 27.322 5.681 -99.200 -91.000 TRP6 73 1.020 48.027 28.873 3.900 -99.200 -91.000 PHE 77 1.000 44.061 28.447 1.299 -99.200 -91.000 TYR 79 0.840 38.525 20.023 2.683 -99.200 -91.000 PHE 80 1.000 39.757 26.454 -1.395 -99.200 -91.000 TYR 84 0.840 39.744 23.905 -5.794 -99.200 -91.000 PHE 101 1.000 29.602 24.604 15.581 -99.200 -91.000 PHE 104 1.000 33.853 30.687 18.954 -99.200 -91.000 TYR 107 0.840 39.479 31.904 22.859 -99.200 -91.000 TYR 115 0.840 24.393 25.120 26.558 -99.200 -91.000 HIS 120 0.900 26.788 27.895 11.464 -99.200 -91.000 TYR 121 0.840 19.417 32.121 9.319 -99.200 -91.000 HIS 133 0.900 17.932 12.858 17.874 -99.200 -91.000 TYR 145 0.840 25.377 20.496 1.427 -99.200 -91.000 PHE 146 1.000 27.025 25.254 3.409 -99.200 -91.000 PHE 159 1.000 23.399 25.377 15.489 -99.200 -91.000 HIS 163 0.900 12.713 26.859 16.790 -99.200 -91.000 PHE 191 1.000 39.406 30.417 1.581 -99.200 -91.000 PHE 197 1.000 37.767 29.912 -7.213 -99.200 -91.000 PHE 200 1.000 42.200 32.765 -2.412 -99.200 -91.000 TYR 204 0.840 46.969 31.032 -1.738 -99.200 -91.000 HIS 220 0.900 41.541 22.469 -19.020 -99.200 -91.000 TYR 224 0.840 41.491 28.462 -12.298 -99.200 -91.000 TYR 225 0.840 37.135 25.305 -16.690 -99.200 -91.000 TRP 242 1.040 29.081 24.239 -26.362 -99.200 -91.000 TRP6 242 1.020 29.621 22.072 -27.203 -99.200 -91.000 PHE 243 1.000 24.569 23.094 -19.514 -99.200 -91.000 TYR 255 0.840 36.422 13.784 -21.320 -99.200 -91.000 PHE 260 1.000 20.220 21.546 -15.766 -99.200 -91.000 TYR 261 0.840 17.458 17.869 -17.298 -99.200 -91.000 HIS 262 0.900 26.711 15.231 -22.409 -99.200 -91.000 HIS 275 0.900 31.433 12.738 12.810 -99.200 -91.000 PHE 276 1.000 25.347 8.569 9.680 -99.200 -91.000 PHE 283 1.000 24.415 3.033 9.733 -99.200 -91.000 PHE 291 1.000 22.651 13.132 -3.723 -99.200 -91.000 TYR 293 0.840 23.085 26.140 1.290 -99.200 -91.000 HIS 303 0.900 23.023 -0.650 0.930 -99.200 -91.000 PHE 313 1.000 22.863 9.096 -6.590 -99.200 -91.000 PHE 328 1.000 24.135 10.176 3.917 -99.200 -91.000 TYR 329 0.840 19.073 17.093 5.316 -99.200 -91.000 TYR 344 0.840 31.303 4.233 -8.306 -99.200 -91.000 TYR 352 0.840 30.479 12.861 -13.062 -99.200 -91.000