============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 1 1.000 38.548 17.894 48.509 -99.200 -91.000 TYR 4 0.840 40.158 13.599 37.782 -99.200 -91.000 PHE 8 1.000 43.067 19.019 44.193 -99.200 -91.000 PHE 9 1.000 42.916 21.166 48.672 -99.200 -91.000 TYR 11 0.840 41.844 23.043 39.944 -99.200 -91.000 PHE 14 1.000 44.290 30.617 39.965 -99.200 -91.000 PHE 17 1.000 46.990 35.281 44.853 -99.200 -91.000 TYR 21 0.840 45.491 39.248 48.175 -99.200 -91.000 HIS 28 0.900 38.150 36.588 30.801 -99.200 -91.000 PHE 31 1.000 39.387 30.035 33.288 -99.200 -91.000 TYR 37 0.840 50.208 28.068 26.627 -99.200 -91.000 TYR 42 0.840 40.324 16.290 32.905 -99.200 -91.000 TYR 50 0.840 16.021 11.216 33.264 -99.200 -91.000 HIS 57 0.900 16.631 19.837 13.089 -99.200 -91.000 PHE 60 1.000 21.925 24.583 23.269 -99.200 -91.000 PHE 64 1.000 23.269 25.303 34.055 -99.200 -91.000 PHE 70 1.000 35.152 33.134 31.150 -99.200 -91.000 PHE 85 1.000 30.655 26.355 31.652 -99.200 -91.000 PHE 87 1.000 25.187 27.353 25.108 -99.200 -91.000 PHE 107 1.000 37.413 48.830 37.246 -99.200 -91.000 PHE 121 1.000 30.907 44.889 20.561 -99.200 -91.000 PHE 136 1.000 35.773 23.255 19.579 -99.200 -91.000 HIS 149 0.900 30.910 19.393 24.801 -99.200 -91.000 TYR 170 0.840 35.485 40.672 6.836 -99.200 -91.000 TYR 178 0.840 34.996 27.439 9.278 -99.200 -91.000 TYR 181 0.840 24.577 30.276 19.422 -99.200 -91.000 PHE 219 1.000 31.162 20.252 0.691 -99.200 -91.000 TRP 221 1.040 25.887 24.262 6.527 -99.200 -91.000 TRP6 221 1.020 26.188 26.606 6.538 -99.200 -91.000 PHE 222 1.000 35.654 21.529 10.073 -99.200 -91.000 PHE 232 1.000 20.244 31.158 19.058 -99.200 -91.000 PHE 274 1.000 30.850 47.316 40.094 -99.200 -91.000 PHE 293 1.000 14.562 42.186 27.791 -99.200 -91.000 TYR 298 0.840 7.733 31.449 27.368 -99.200 -91.000 TYR 300 0.840 5.912 42.331 26.224 -99.200 -91.000 PHE 314 1.000 26.365 34.807 40.205 -99.200 -91.000 TYR 333 0.840 32.067 37.123 31.426 -99.200 -91.000 PHE 338 1.000 31.745 37.743 41.191 -99.200 -91.000 HIS 353 0.900 21.575 17.178 43.959 -99.200 -91.000 TYR 356 0.840 14.414 12.923 42.504 -99.200 -91.000 TYR 360 0.840 9.638 21.228 36.742 -99.200 -91.000 TYR 361 0.840 8.034 14.865 32.127 -99.200 -91.000 HIS 371 0.900 1.656 27.756 33.382 -99.200 -91.000