============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. TYR 17 0.840 10.049 25.908 41.210 -99.200 -91.000 PHE 31 1.000 8.170 37.255 26.388 -99.200 -91.000 TYR 32 0.840 7.776 33.644 29.909 -99.200 -91.000 HIS 39 0.900 13.850 23.234 24.690 -99.200 -91.000 TYR 42 0.840 1.406 18.336 33.225 -99.200 -91.000 TYR 49 0.840 4.310 22.598 36.118 -99.200 -91.000 PHE 53 1.000 20.076 22.721 23.905 -99.200 -91.000 PHE 56 1.000 19.966 17.557 37.170 -99.200 -91.000 HIS 58 0.900 8.388 18.775 35.790 -99.200 -91.000 HIS 59 0.900 9.198 22.990 37.751 -99.200 -91.000 PHE 76 1.000 16.816 31.054 46.362 -99.200 -91.000 TYR 90 0.840 18.374 30.454 58.890 -99.200 -91.000 TYR 91 0.840 13.619 31.273 55.741 -99.200 -91.000 PHE 105 1.000 4.005 24.739 48.854 -99.200 -91.000 PHE 121 1.000 11.407 40.012 47.681 -99.200 -91.000 TYR 123 0.840 14.085 33.889 49.308 -99.200 -91.000 PHE 125 1.000 14.801 28.187 51.298 -99.200 -91.000 PHE 126 1.000 13.463 22.283 44.320 -99.200 -91.000 PHE 127 1.000 17.867 15.980 47.051 -99.200 -91.000 HIS 131 0.900 17.162 13.562 38.574 -99.200 -91.000 HIS 136 0.900 24.102 17.486 27.842 -99.200 -91.000 TYR 139 0.840 24.710 20.808 20.221 -99.200 -91.000 TYR 142 0.840 22.010 26.085 20.585 -99.200 -91.000 HIS 152 0.900 20.779 37.049 37.405 -99.200 -91.000 PHE 153 1.000 15.069 32.946 41.596 -99.200 -91.000 TYR 166 0.840 16.766 36.751 54.735 -99.200 -91.000 PHE 172 1.000 21.506 33.119 48.811 -99.200 -91.000 TYR 186 0.840 22.656 54.590 45.919 -99.200 -91.000 TRP 189 1.040 24.486 42.030 41.097 -99.200 -91.000 TRP6 189 1.020 24.542 44.390 41.435 -99.200 -91.000 HIS 191 0.900 28.964 32.619 45.160 -99.200 -91.000 HIS 197 0.900 23.551 38.002 39.799 -99.200 -91.000 HIS 210 0.900 14.773 45.196 38.123 -99.200 -91.000 HIS 211 0.900 16.754 41.258 36.725 -99.200 -91.000 PHE 214 1.000 14.961 31.479 32.185 -99.200 -91.000 HIS 217 0.900 25.386 26.887 24.925 -99.200 -91.000 HIS 220 0.900 26.116 33.237 18.477 -99.200 -91.000 HIS 245 0.900 24.265 43.858 33.475 -99.200 -91.000 PHE 251 1.000 26.145 41.260 24.599 -99.200 -91.000 TYR 252 0.840 22.847 44.907 29.982 -99.200 -91.000 TYR 254 0.840 18.187 43.922 32.427 -99.200 -91.000 HIS 261 0.900 5.209 38.589 35.897 -99.200 -91.000 TYR 266 0.840 24.328 37.224 34.060 -99.200 -91.000 TYR 270 0.840 33.231 38.058 38.315 -99.200 -91.000 TYR 271 0.840 35.536 29.635 40.813 -99.200 -91.000 TRP 282 1.040 31.181 47.989 40.056 -99.200 -91.000 TRP6 282 1.020 32.048 48.560 37.921 -99.200 -91.000 HIS 285 0.900 26.683 60.091 42.195 -99.200 -91.000 TRP 292 1.040 33.101 47.827 30.142 -99.200 -91.000 TRP6 292 1.020 34.280 48.452 32.095 -99.200 -91.000 TRP 293 1.040 29.819 48.219 25.926 -99.200 -91.000 TRP6 293 1.020 28.173 46.927 24.834 -99.200 -91.000 TRP 301 1.040 16.751 47.474 34.476 -99.200 -91.000 TRP6 301 1.020 18.054 47.425 36.445 -99.200 -91.000 TYR 302 0.840 17.970 53.134 37.761 -99.200 -91.000 PHE 336 1.000 27.935 63.293 40.460 -99.200 -91.000 PHE 338 1.000 32.495 58.604 38.344 -99.200 -91.000 TYR 348 0.840 27.032 61.711 30.149 -99.200 -91.000 HIS 349 0.900 27.322 67.484 36.501 -99.200 -91.000 PHE 356 1.000 18.730 59.249 23.943 -99.200 -91.000