============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. HIS 10 0.900 42.168 11.996 13.061 -99.200 -91.000 TRP 11 1.040 38.126 9.449 21.910 -99.200 -91.000 TRP6 11 1.020 37.072 7.364 22.264 -99.200 -91.000 PHE 53 1.000 14.085 7.489 31.441 -99.200 -91.000 HIS 59 0.900 25.195 14.767 34.325 -99.200 -91.000 PHE 60 1.000 18.949 15.824 27.422 -99.200 -91.000 HIS 71 0.900 33.449 39.715 25.409 -99.200 -91.000 PHE 78 1.000 43.309 25.305 27.174 -99.200 -91.000 TYR 80 0.840 55.209 28.357 24.267 -99.200 -91.000 PHE 81 1.000 54.790 36.170 28.436 -99.200 -91.000 HIS 85 0.900 62.892 41.762 23.470 -99.200 -91.000 TYR 90 0.840 60.123 49.804 32.006 -99.200 -91.000 PHE 96 1.000 55.774 40.545 32.760 -99.200 -91.000 HIS 98 0.900 64.184 32.657 33.617 -99.200 -91.000 PHE 109 1.000 41.714 33.722 20.395 -99.200 -91.000 PHE 128 1.000 44.259 37.438 21.943 -99.200 -91.000 PHE 132 1.000 49.708 35.973 30.711 -99.200 -91.000 TYR 133 0.840 46.533 28.014 33.851 -99.200 -91.000 TRP 139 1.040 48.538 39.136 34.575 -99.200 -91.000 TRP6 139 1.020 50.174 39.460 32.902 -99.200 -91.000 PHE 149 1.000 33.754 48.530 26.256 -99.200 -91.000 PHE 150 1.000 31.716 49.932 21.787 -99.200 -91.000 PHE 157 1.000 30.019 46.023 30.492 -99.200 -91.000 PHE 160 1.000 28.140 49.290 24.733 -99.200 -91.000 HIS 162 0.900 20.257 45.835 30.540 -99.200 -91.000 HIS 171 0.900 14.752 37.037 23.070 -99.200 -91.000 TRP 179 1.040 23.019 53.445 15.619 -99.200 -91.000 TRP6 179 1.020 25.205 54.338 15.486 -99.200 -91.000 PHE 181 1.000 24.753 53.653 26.290 -99.200 -91.000 TRP 182 1.040 27.281 53.092 20.849 -99.200 -91.000 TRP6 182 1.020 27.363 51.634 18.988 -99.200 -91.000 HIS 190 0.900 39.748 56.857 19.924 -99.200 -91.000 PHE 194 1.000 39.527 48.816 16.378 -99.200 -91.000 PHE 196 1.000 28.948 50.512 13.038 -99.200 -91.000 HIS 205 0.900 38.151 33.738 17.402 -99.200 -91.000 HIS 207 0.900 44.641 35.600 9.670 -99.200 -91.000 TYR 211 0.840 45.117 46.560 20.732 -99.200 -91.000 HIS 214 0.900 40.284 48.527 31.665 -99.200 -91.000 PHE 216 1.000 45.579 46.278 33.232 -99.200 -91.000 TYR 227 0.840 49.786 55.049 36.778 -99.200 -91.000 PHE 230 1.000 50.040 44.443 30.876 -99.200 -91.000 HIS 231 0.900 49.652 48.306 23.049 -99.200 -91.000 TYR 232 0.840 47.003 40.421 24.098 -99.200 -91.000 TYR 256 0.840 35.937 31.850 8.818 -99.200 -91.000 PHE 262 1.000 39.987 20.936 16.936 -99.200 -91.000 TYR 270 0.840 51.523 24.126 17.151 -99.200 -91.000 TRP 273 1.040 47.977 37.417 18.719 -99.200 -91.000 TRP6 273 1.020 47.257 35.170 18.633 -99.200 -91.000 PHE 275 1.000 51.945 40.670 26.825 -99.200 -91.000 TYR 276 0.840 55.587 44.523 20.374 -99.200 -91.000 PHE 282 1.000 52.919 56.411 39.631 -99.200 -91.000 PHE 288 1.000 47.827 60.833 27.513 -99.200 -91.000 PHE 290 1.000 43.438 63.786 24.744 -99.200 -91.000 PHE 293 1.000 45.357 57.015 35.614 -99.200 -91.000 TRP 299 1.040