============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 10 1.000 -65.724 92.739 -24.992 -99.200 -91.000 HIS 11 0.900 -71.812 83.650 -24.916 -99.200 -91.000 HIS 13 0.900 -75.421 89.927 -29.230 -99.200 -91.000 TYR 34 0.840 -56.299 97.190 -24.885 -99.200 -91.000 TYR 43 0.840 -65.595 73.891 -31.686 -99.200 -91.000 TYR 57 0.840 -61.959 80.335 -13.109 -99.200 -91.000 PHE 67 1.000 -44.425 91.435 -16.648 -99.200 -91.000 TRP 73 1.040 -52.404 77.617 -15.561 -99.200 -91.000 TRP6 73 1.020 -52.842 75.441 -14.713 -99.200 -91.000 PHE 77 1.000 -54.684 72.135 -10.586 -99.200 -91.000 PHE 81 1.000 -63.922 71.784 -3.133 -99.200 -91.000 TRP 82 1.040 -66.410 73.994 -7.770 -99.200 -91.000 TRP6 82 1.020 -67.123 71.878 -6.975 -99.200 -91.000 PHE 91 1.000 -57.771 72.230 -16.240 -99.200 -91.000 PHE 97 1.000 -59.909 85.966 -16.580 -99.200 -91.000 PHE 101 1.000 -53.824 86.994 -16.243 -99.200 -91.000 TRP 102 1.040 -48.138 83.896 -20.871 -99.200 -91.000 TRP6 102 1.020 -45.777 83.848 -20.713 -99.200 -91.000 TYR 114 0.840 -41.350 85.744 -31.843 -99.200 -91.000 TYR 128 0.840 -54.544 70.875 -40.465 -99.200 -91.000 PHE 134 1.000 -68.557 71.719 -41.380 -99.200 -91.000 TRP 136 1.040 -59.583 76.530 -48.751 -99.200 -91.000 TRP6 136 1.020 -59.162 76.591 -46.431 -99.200 -91.000 TYR 149 0.840 -66.815 65.466 -48.731 -99.200 -91.000 TYR 161 0.840 -53.972 76.825 -47.226 -99.200 -91.000 HIS 171 0.900 -71.431 66.975 -42.905 -99.200 -91.000 PHE 181 1.000 -75.219 55.617 -33.169 -99.200 -91.000 HIS 216 0.900 -65.352 67.313 -36.604 -99.200 -91.000 HIS 218 0.900 -69.254 63.524 -35.463 -99.200 -91.000 PHE 227 1.000 -63.276 55.987 -42.986 -99.200 -91.000 PHE 234 1.000 -57.730 55.445 -50.716 -99.200 -91.000 PHE 237 1.000 -48.820 64.921 -42.161 -99.200 -91.000 PHE 238 1.000 -52.518 65.082 -37.963 -99.200 -91.000 TYR 239 0.840 -58.733 57.369 -38.238 -99.200 -91.000 TYR 269 0.840 -60.714 69.948 -22.029 -99.200 -91.000 TRP 272 1.040 -52.789 67.096 -13.040 -99.200 -91.000 TRP6 272 1.020 -51.988 69.335 -13.099 -99.200 -91.000 PHE 274 1.000 -53.208 67.122 -24.283 -99.200 -91.000 PHE 277 1.000 -55.695 60.419 -24.067 -99.200 -91.000 PHE 296 1.000 -49.789 82.661 -25.546 -99.200 -91.000 PHE 299 1.000 -49.358 74.909 -27.376 -99.200 -91.000 HIS 307 0.900 -38.775 67.437 -28.082 -99.200 -91.000 PHE 309 1.000 -43.887 60.417 -22.423 -99.200 -91.000 HIS 316 0.900 -59.535 72.907 -31.824 -99.200 -91.000 HIS 329 0.900 -47.049 85.863 -30.814 -99.200 -91.000 PHE 337 1.000 -45.856 73.971 -36.260 -99.200 -91.000 HIS 340 0.900 -51.807 77.682 -37.257 -99.200 -91.000 HIS 342 0.900 -56.235 79.978 -42.029 -99.200 -91.000 HIS 343 0.900 -62.661 75.507 -38.618 -99.200 -91.000 TYR 351 0.840 -65.825 82.737 -36.145 -99.200 -91.000 HIS 357 0.900 -53.287 94.085 -36.771 -99.200 -91.000 TYR 359 0.840 -51.813 88.778 -37.459 -99.200 -91.000 TYR 366 0.840 -51.359 81.649 -40.377 -99.200 -91.000 TYR 383 0.840 -66.230 97.515 -25.953 -99.200 -91.000 TYR 388 0.840 -69.031 95.318 -21.628 -99.200 -91.000 HIS 395 0.900 -69.468 91.763 -10.582 -99.200 -91.000 HIS 396 0.900 -72.203 97.610 -17.986 -99.200 -91.000 HIS 397 0.900 -73.868 91.280 -14.933 -99.200 -91.000