============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 1 0.900 32.619 37.460 21.962 -99.200 -91.000 PHE 17 1.000 36.484 37.441 25.316 -99.200 -91.000 PHE 27 1.000 33.381 37.164 36.997 -99.200 -91.000 TYR 29 0.840 35.799 36.810 31.219 -99.200 -91.000 PHE 33 1.000 36.398 50.150 25.866 -99.200 -91.000 PHE 52 1.000 32.956 40.085 27.335 -99.200 -91.000 HIS 62 0.900 25.013 40.851 34.817 -99.200 -91.000 PHE 68 1.000 40.218 54.026 31.136 -99.200 -91.000 HIS 70 0.900 43.666 56.670 25.440 -99.200 -91.000 TYR 80 0.840 39.728 54.445 25.457 -99.200 -91.000 TYR 100 0.840 35.158 37.841 62.098 -99.200 -91.000 HIS 117 0.900 34.100 43.726 51.659 -99.200 -91.000 PHE 124 1.000 25.296 36.377 51.085 -99.200 -91.000 PHE 126 1.000 27.063 30.828 52.933 -99.200 -91.000 TYR 132 0.840 30.344 23.123 56.916 -99.200 -91.000 TYR 141 0.840 48.193 40.198 63.503 -99.200 -91.000 PHE 148 1.000 39.131 35.472 58.509 -99.200 -91.000 TRP 159 1.040 32.639 22.954 45.981 -99.200 -91.000 TRP6 159 1.020 31.249 23.424 44.131 -99.200 -91.000 PHE 160 1.000 34.457 31.389 46.158 -99.200 -91.000 PHE 162 1.000 32.193 34.654 41.681 -99.200 -91.000 PHE 175 1.000 29.889 31.332 49.700 -99.200 -91.000 TYR 176 0.840 26.504 24.959 45.005 -99.200 -91.000 TYR 182 0.840 30.417 18.260 41.358 -99.200 -91.000 TRP 196 1.040 39.784 21.577 19.520 -99.200 -91.000 TRP6 196 1.020 38.311 23.418 19.596 -99.200 -91.000 TYR 202 0.840 44.990 10.241 35.274 -99.200 -91.000 PHE 208 1.000 34.672 18.019 58.007 -99.200 -91.000 TYR 209 0.840 39.341 20.157 60.184 -99.200 -91.000 HIS 214 0.900 41.890 9.790 50.287 -99.200 -91.000 TYR 217 0.840 47.426 14.922 50.001 -99.200 -91.000 PHE 250 1.000 38.524 14.231 28.762 -99.200 -91.000 TYR 269 0.840 33.761 31.523 24.020 -99.200 -91.000 PHE 273 1.000 37.381 20.973 28.998 -99.200 -91.000 TYR 278 0.840 29.337 12.872 39.234 -99.200 -91.000 TYR 282 0.840 37.867 12.498 43.600 -99.200 -91.000 TYR 284 0.840 37.002 22.492 43.254 -99.200 -91.000 TYR 307 0.840 39.843 43.340 92.985 -99.200 -91.000 HIS 309 0.900 34.093 39.689 81.612 -99.200 -91.000 TYR 316 0.840 43.688 36.388 83.938 -99.200 -91.000 PHE 322 1.000 47.718 47.933 72.943 -99.200 -91.000 TRP 326 1.040 43.227 44.956 66.756 -99.200 -91.000 TRP6 326 1.020 43.223 42.597 66.630 -99.200 -91.000 TYR 330 0.840 33.404 41.624 64.807 -99.200 -91.000 TRP 334 1.040 36.189 35.290 76.217 -99.200 -91.000 TRP6 334 1.020 35.956 35.591 78.551 -99.200 -91.000 PHE 347 1.000 48.822 34.639 68.678 -99.200 -91.000 TYR 356 0.840 51.471 30.484 74.979 -99.200 -91.000