============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 37 0.840 40.772 76.791 75.307 -99.200 -91.000 HIS 43 0.900 30.429 65.695 89.918 -99.200 -91.000 PHE 44 1.000 37.312 62.953 92.550 -99.200 -91.000 PHE 51 1.000 31.837 70.377 77.328 -99.200 -91.000 PHE 68 1.000 41.227 59.131 87.830 -99.200 -91.000 PHE 80 1.000 51.558 75.310 73.236 -99.200 -91.000 HIS 83 0.900 44.764 66.446 77.287 -99.200 -91.000 PHE 88 1.000 44.147 54.157 84.737 -99.200 -91.000 TYR 99 0.840 47.492 60.642 77.218 -99.200 -91.000 PHE 103 1.000 44.749 67.918 72.230 -99.200 -91.000 PHE 122 1.000 48.833 65.326 93.939 -99.200 -91.000 TYR 127 0.840 44.341 71.005 93.727 -99.200 -91.000 TRP 129 1.040 48.106 78.423 88.218 -99.200 -91.000 TRP6 129 1.020 49.346 78.953 86.290 -99.200 -91.000 PHE 142 1.000 54.920 65.394 84.832 -99.200 -91.000 TYR 143 0.840 53.771 68.135 93.388 -99.200 -91.000 PHE 145 1.000 51.102 63.516 97.810 -99.200 -91.000 PHE 161 1.000 60.064 62.575 81.743 -99.200 -91.000 TYR 171 0.840 52.871 69.733 98.824 -99.200 -91.000 HIS 172 0.900 49.007 74.468 94.318 -99.200 -91.000 PHE 174 1.000 52.004 78.993 91.756 -99.200 -91.000 PHE 181 1.000 59.895 74.398 88.928 -99.200 -91.000 PHE 182 1.000 59.800 82.067 92.243 -99.200 -91.000 HIS 184 0.900 52.010 77.274 100.041 -99.200 -91.000 PHE 195 1.000 64.061 73.371 84.793 -99.200 -91.000 HIS 205 0.900 62.664 75.987 100.759 -99.200 -91.000 PHE 209 1.000 53.420 82.925 101.429 -99.200 -91.000 HIS 210 0.900 50.949 79.952 104.818 -99.200 -91.000 PHE 215 1.000 44.388 75.758 108.007 -99.200 -91.000 HIS 219 0.900 41.233 74.926 92.682 -99.200 -91.000 TYR 222 0.840 52.389 82.693 87.836 -99.200 -91.000 TRP 231 1.040 47.597 80.430 97.443 -99.200 -91.000 TRP6 231 1.020 49.477 79.226 96.659 -99.200 -91.000 TYR 234 0.840 40.585 76.669 104.092 -99.200 -91.000 HIS 239 0.900 49.159 85.486 102.584 -99.200 -91.000 PHE 250 1.000 56.850 86.598 100.381 -99.200 -91.000 TRP 266 1.040 28.763 88.162 103.961 -99.200 -91.000 TRP6 266 1.020 28.104 88.025 101.675 -99.200 -91.000 TRP 271 1.040 37.859 73.077 91.385 -99.200 -91.000 TRP6 271 1.020 38.244 71.445 93.089 -99.200 -91.000 TYR 276 0.840 46.262 90.307 88.714 -99.200 -91.000 HIS 277 0.900 41.686 92.668 82.910 -99.200 -91.000 TYR 284 0.840 37.779 90.649 88.299 -99.200 -91.000 TRP 293 1.040 35.934 73.503 109.724 -99.200 -91.000 TRP6 293 1.020 38.179 73.630 108.934 -99.200 -91.000 HIS 295 0.900 37.210 74.118 103.117 -99.200 -91.000 PHE 301 1.000 25.820 87.551 97.407 -99.200 -91.000 PHE 316 1.000 30.323 92.803 89.540 -99.200 -91.000 HIS 320 0.900 22.243 81.471 87.206 -99.200 -91.000 TYR 336 0.840 34.879 83.968 80.200 -99.200 -91.000 TYR 346 0.840 24.676 80.360 84.873 -99.200 -91.000 HIS 348 0.900 27.369 86.962 85.437 -99.200 -91.000 HIS 364 0.900 28.446 63.296 82.525 -99.200 -91.000