============================================================================= 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. HIS 4 0.900 -82.256 -8.737 -98.081 -99.200 -91.000 HIS 12 0.900 -72.298 -8.177 -95.434 -99.200 -91.000 PHE 16 1.000 -70.515 -18.908 -85.876 -99.200 -91.000 PHE 21 1.000 -86.194 -15.119 -77.443 -99.200 -91.000 HIS 30 0.900 -77.052 -13.889 -78.107 -99.200 -91.000 HIS 36 0.900 -73.538 -25.747 -90.458 -99.200 -91.000 PHE 42 1.000 -83.806 -20.477 -89.678 -99.200 -91.000 PHE 43 1.000 -85.479 -17.554 -93.707 -99.200 -91.000 PHE 49 1.000 -87.391 -20.693 -77.554 -99.200 -91.000 TRP 57 1.040 -92.166 -15.668 -72.221 -99.200 -91.000 TRP6 57 1.020 -90.820 -15.643 -74.159 -99.200 -91.000 PHE 79 1.000 -71.866 -3.245 -81.379 -99.200 -91.000 PHE 80 1.000 -72.433 -10.887 -81.758 -99.200 -91.000 TYR 100 0.840 -96.107 -17.962 -75.032 -99.200 -91.000 TYR 114 0.840 -108.834 -3.522 -81.566 -99.200 -91.000 PHE 126 1.000 -96.389 4.004 -80.550 -99.200 -91.000 PHE 132 1.000 -77.592 6.921 -74.351 -99.200 -91.000 PHE 133 1.000 -77.986 9.658 -66.305 -99.200 -91.000 PHE 135 1.000 -73.903 6.347 -64.918 -99.200 -91.000 PHE 140 1.000 -75.563 -3.427 -59.173 -99.200 -91.000 HIS 148 0.900 -72.364 -1.763 -52.206 -99.200 -91.000 TRP 158 1.040 -68.938 11.873 -58.485 -99.200 -91.000 TRP6 158 1.020 -70.949 11.651 -59.699 -99.200 -91.000 TYR 164 0.840 -59.845 11.761 -62.406 -99.200 -91.000 HIS 171 0.900 -62.180 22.768 -68.754 -99.200 -91.000 TYR 179 0.840 -80.365 20.581 -73.338 -99.200 -91.000 PHE 180 1.000 -78.361 21.027 -76.736 -99.200 -91.000 HIS 209 0.900 -74.213 13.321 -81.582 -99.200 -91.000 HIS 210 0.900 -79.845 16.054 -77.101 -99.200 -91.000 HIS 211 0.900 -73.865 15.571 -71.548 -99.200 -91.000 PHE 225 1.000 -92.085 8.967 -88.956 -99.200 -91.000 TYR 238 0.840 -81.433 4.743 -78.882 -99.200 -91.000 TYR 240 0.840 -76.252 -5.782 -79.788 -99.200 -91.000 HIS 243 0.900 -77.554 -1.634 -72.635 -99.200 -91.000 HIS 247 0.900 -68.068 -4.167 -72.861 -99.200 -91.000 PHE 249 1.000 -66.068 4.719 -78.478 -99.200 -91.000 PHE 255 1.000 -80.623 2.574 -73.228 -99.200 -91.000 PHE 261 1.000 -82.561 13.292 -54.188 -99.200 -91.000 HIS 269 0.900 -89.678 13.106 -73.039 -99.200 -91.000 HIS 271 0.900 -92.448 13.574 -80.327 -99.200 -91.000 PHE 282 1.000 -103.320 11.138 -83.668 -99.200 -91.000 TYR 287 0.840 -104.386 23.479 -77.281 -99.200 -91.000 TYR 296 0.840 -113.548 12.064 -79.505 -99.200 -91.000 TYR 297 0.840 -103.651 7.533 -79.725 -99.200 -91.000 HIS 304 0.900 -108.226 3.142 -70.844 -99.200 -91.000 TYR 319 0.840 -93.962 4.031 -60.804 -99.200 -91.000 TYR 326 0.840 -85.483 16.461 -59.833 -99.200 -91.000 TYR 334 0.840 -105.619 18.537 -74.274 -99.200 -91.000 PHE 360 1.000 -97.610 8.256 -69.335 -99.200 -91.000 TYR 368 0.840 -91.158 -5.611 -79.508 -99.200 -91.000 PHE 371 1.000 -92.975 1.822 -78.642 -99.200 -91.000 HIS 387 0.900 -113.574 17.074 -75.248 -99.200 -91.000 TYR 397 0.840 -92.330 20.282 -62.803 -99.200 -91.000 PHE 427 1.000 -106.369 0.123 -71.827 -99.200 -91.000 PHE 434 1.000