============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. PHE 16 1.000 11.481 22.893 -13.546 -99.200 -91.000 PHE 39 1.000 3.407 40.317 -5.828 -99.200 -91.000 PHE 40 1.000 5.823 34.542 -12.537 -99.200 -91.000 TYR 41 0.840 -0.425 32.459 -6.819 -99.200 -91.000 HIS 45 0.900 4.895 24.055 -7.950 -99.200 -91.000 PHE 59 1.000 10.586 23.907 13.139 -99.200 -91.000 HIS 60 0.900 5.994 26.958 11.528 -99.200 -91.000 TRP 69 1.040 13.655 31.330 25.708 -99.200 -91.000 TRP6 69 1.020 13.697 33.614 25.115 -99.200 -91.000 TYR 76 0.840 13.136 37.543 18.643 -99.200 -91.000 HIS 80 0.900 21.808 31.211 20.765 -99.200 -91.000 TYR 88 0.840 11.114 29.369 16.281 -99.200 -91.000 TYR 89 0.840 14.336 35.467 12.252 -99.200 -91.000 PHE 101 1.000 14.881 26.632 11.616 -99.200 -91.000 TYR 103 0.840 15.851 25.747 5.782 -99.200 -91.000 PHE 108 1.000 26.466 29.945 2.765 -99.200 -91.000 HIS 112 0.900 31.294 28.345 1.904 -99.200 -91.000 HIS 122 0.900 28.877 34.405 2.995 -99.200 -91.000 TRP 127 1.040 19.914 22.344 10.717 -99.200 -91.000 TRP6 127 1.020 18.047 22.743 9.334 -99.200 -91.000 HIS 133 0.900 11.287 19.520 16.436 -99.200 -91.000 PHE 136 1.000 12.566 21.346 10.579 -99.200 -91.000 PHE 139 1.000 10.237 18.566 3.801 -99.200 -91.000 TYR 143 0.840 10.942 24.015 0.222 -99.200 -91.000 TYR 144 0.840 19.059 26.551 0.364 -99.200 -91.000 TRP 145 1.040 20.418 21.242 -1.557 -99.200 -91.000 TRP6 145 1.020 21.650 23.140 -2.243 -99.200 -91.000 PHE 148 1.000 20.408 26.426 -6.427 -99.200 -91.000 TYR 158 0.840 11.663 36.816 -13.168 -99.200 -91.000 PHE 168 1.000 22.276 39.328 -17.433 -99.200 -91.000 PHE 169 1.000 18.600 38.058 -14.200 -99.200 -91.000 HIS 172 0.900 26.512 36.459 -11.992 -99.200 -91.000 PHE 173 1.000 19.705 30.464 -7.106 -99.200 -91.000 TYR 187 0.840 2.253 36.184 9.238 -99.200 -91.000 TYR 189 0.840 -8.309 31.422 16.200 -99.200 -91.000 TYR 193 0.840 -3.768 38.365 15.766 -99.200 -91.000 PHE 209 1.000 7.088 42.991 7.073 -99.200 -91.000 TRP 211 1.040 4.907 51.480 3.047 -99.200 -91.000 TRP6 211 1.020 6.839 52.080 1.839 -99.200 -91.000 HIS 212 0.900 7.405 43.916 2.256 -99.200 -91.000 TYR 222 0.840 2.489 26.360 0.677 -99.200 -91.000 TYR 237 0.840 -1.038 49.139 -0.847 -99.200 -91.000 TYR 247 0.840 6.812 27.038 -4.524 -99.200 -91.000 TYR 254 0.840 21.652 42.693 -7.375 -99.200 -91.000 HIS 257 0.900 21.387 48.938 -8.910 -99.200 -91.000 TYR 262 0.840 11.402 45.937 -19.397 -99.200 -91.000 TYR 263 0.840 11.232 42.287 -16.289 -99.200 -91.000 HIS 268 0.900 5.649 42.566 -1.463 -99.200 -91.000 TRP 272 1.040 -5.178 40.708 12.443 -99.200 -91.000 TRP6 272 1.020 -7.492 41.038 12.746 -99.200 -91.000 PHE 282 1.000 15.360 29.415 -2.349 -99.200 -91.000 PHE 283 1.000 12.653 36.337 1.523 -99.200 -91.000 TYR 288 0.840 29.838 39.378 1.050 -99.200 -91.000 PHE 295 1.000 19.676 44.147 -18.439 -99.200 -91.000 TYR 311 0.840 21.852 39.469 -4.030 -99.200 -91.000 TYR 314 0.840 19.739 43.994 -2.842 -99.200 -91.000