============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. HIS 1 0.900 16.104 23.152 -25.860 -99.200 -91.000 TYR 11 0.840 37.183 26.973 -3.790 -99.200 -91.000 HIS 15 0.900 42.347 30.487 -7.634 -99.200 -91.000 TYR 22 0.840 28.054 37.614 -20.388 -99.200 -91.000 PHE 34 1.000 36.332 31.337 0.131 -99.200 -91.000 PHE 45 1.000 33.709 35.764 10.012 -99.200 -91.000 TYR 62 0.840 18.201 46.133 -15.285 -99.200 -91.000 TYR 66 0.840 14.266 46.847 -23.077 -99.200 -91.000 PHE 69 1.000 17.217 42.765 -12.306 -99.200 -91.000 PHE 73 1.000 20.592 35.539 -2.239 -99.200 -91.000 TRP 74 1.040 21.028 27.322 -2.530 -99.200 -91.000 TRP6 74 1.020 19.517 25.797 -1.594 -99.200 -91.000 TYR 80 0.840 18.648 39.064 12.597 -99.200 -91.000 PHE 81 1.000 22.219 34.585 18.703 -99.200 -91.000 TYR 90 0.840 22.202 42.961 8.522 -99.200 -91.000 TRP 102 1.040 20.764 44.452 -8.898 -99.200 -91.000 TRP6 102 1.020 21.970 42.952 -7.523 -99.200 -91.000 TYR 108 0.840 13.502 40.326 15.271 -99.200 -91.000 TRP 113 1.040 14.682 42.769 -5.581 -99.200 -91.000 TRP6 113 1.020 16.891 42.268 -6.261 -99.200 -91.000 PHE 127 1.000 11.461 34.311 4.370 -99.200 -91.000 TYR 129 0.840 14.033 34.943 9.201 -99.200 -91.000 TYR 138 0.840 11.370 29.872 6.333 -99.200 -91.000 TRP 142 1.040 23.723 26.244 4.369 -99.200 -91.000 TRP6 142 1.020 24.661 28.068 3.227 -99.200 -91.000 PHE 144 1.000 17.232 28.530 -4.930 -99.200 -91.000 TYR 158 0.840 9.189 32.729 -7.036 -99.200 -91.000 HIS 176 0.900 23.670 53.155 -15.326 -99.200 -91.000 PHE 183 1.000 27.967 38.778 -3.743 -99.200 -91.000 HIS 192 0.900 29.956 39.955 19.109 -99.200 -91.000 TYR 194 0.840 27.955 33.953 11.801 -99.200 -91.000 TRP 196 1.040 28.199 30.272 7.480 -99.200 -91.000 TRP6 196 1.020 30.276 29.453 6.739 -99.200 -91.000 TYR 199 0.840 25.914 25.957 -4.638 -99.200 -91.000 PHE 200 1.000 24.443 36.986 -6.624 -99.200 -91.000 PHE 203 1.000 19.471 32.550 -12.910 -99.200 -91.000 TYR 216 0.840 14.162 24.157 -2.836 -99.200 -91.000 PHE 228 1.000 17.106 21.949 12.642 -99.200 -91.000 TRP 229 1.040 22.696 23.535 12.592 -99.200 -91.000 TRP6 229 1.020 21.006 24.789 13.669 -99.200 -91.000 TYR 232 0.840 29.184 18.656 1.833 -99.200 -91.000 TYR 235 0.840 30.483 7.950 7.891 -99.200 -91.000 TYR 239 0.840 25.642 15.105 13.298 -99.200 -91.000 TYR 240 0.840 22.708 17.855 21.690 -99.200 -91.000 TYR 245 0.840 3.384 11.413 13.234 -99.200 -91.000 TYR 250 0.840 14.246 15.381 25.917 -99.200 -91.000 TYR 261 0.840 12.286 1.643 27.585 -99.200 -91.000 TYR 263 0.840 12.381 7.318 27.487 -99.200 -91.000 TYR 277 0.840 16.759 33.698 21.437 -99.200 -91.000 TYR 283 0.840 22.637 23.121 20.872 -99.200 -91.000 PHE 288 1.000 20.592 8.423 18.215 -99.200 -91.000 TYR 293 0.840 29.353 -2.864 8.016 -99.200 -91.000 TYR 309 0.840 28.883 -1.173 12.613 -99.200 -91.000 TYR 319 0.840 26.789 2.468 26.874 -99.200 -91.000 PHE 377 1.000 13.129 3.248 5.608 -99.200 -91.000 PHE 380 1.000 7.058 8.217 17.198 -99.200 -91.000 HIS 381 0.900 3.877 0.453 17.809 -99.200 -91.000 PHE 383 1.000 6.447 -1.363 21.806 -99.200 -91.000 TRP 394 1.040 2.624 -0.024 9.595 -99.200 -91.000 TRP6 394 1.020 2.689 2.323 9.874 -99.200 -91.000 TYR 395 0.840 8.037 3.797 11.093 -99.200 -91.000 TRP 410 1.040 14.724 9.275 12.910 -99.200 -91.000 TRP6 410 1.020 14.355 9.535 15.222 -99.200 -91.000 PHE 412 1.000 21.411 11.885 12.004 -99.200 -91.000 TRP 419 1.040 19.685 26.837 18.524 -99.200 -91.000 TRP6 419 1.020 17.711 27.632 17.533 -99.200 -91.000