============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 3 1.000 36.241 32.027 3.108 -99.200 -91.000 PHE 18 1.000 26.105 35.040 9.004 -99.200 -91.000 TYR 41 0.840 32.851 32.687 23.579 -99.200 -91.000 TYR 42 0.840 29.681 36.478 22.961 -99.200 -91.000 TYR 65 0.840 19.547 25.437 30.037 -99.200 -91.000 HIS 72 0.900 16.067 39.892 33.508 -99.200 -91.000 TRP 80 1.040 23.902 41.129 27.464 -99.200 -91.000 TRP6 80 1.020 25.119 39.479 26.274 -99.200 -91.000 HIS 88 0.900 28.933 46.906 17.453 -99.200 -91.000 TRP 99 1.040 17.155 31.643 26.842 -99.200 -91.000 TRP6 99 1.020 18.295 29.559 26.815 -99.200 -91.000 HIS 100 0.900 9.708 32.093 29.478 -99.200 -91.000 HIS 106 0.900 15.287 22.462 40.054 -99.200 -91.000 PHE 160 1.000 10.087 36.052 23.478 -99.200 -91.000 PHE 172 1.000 23.395 42.273 22.097 -99.200 -91.000 HIS 178 0.900 16.456 29.055 21.095 -99.200 -91.000 HIS 181 0.900 18.125 24.326 18.975 -99.200 -91.000 PHE 183 1.000 15.763 25.894 25.283 -99.200 -91.000 HIS 186 0.900 10.497 23.226 18.799 -99.200 -91.000 PHE 188 1.000 2.421 28.799 24.277 -99.200 -91.000 TYR 200 0.840 -2.427 32.535 22.329 -99.200 -91.000 TRP 222 1.040 15.794 48.290 16.295 -99.200 -91.000 TRP6 222 1.020 17.565 46.954 17.115 -99.200 -91.000 PHE 237 1.000 15.661 19.972 16.452 -99.200 -91.000 TYR 252 0.840 0.414 28.938 9.247 -99.200 -91.000 TYR 264 0.840 19.082 36.086 11.536 -99.200 -91.000 HIS 266 0.900 20.796 30.280 12.935 -99.200 -91.000 TYR 278 0.840 16.176 21.081 7.121 -99.200 -91.000 PHE 282 1.000 11.703 21.670 4.662 -99.200 -91.000 PHE 290 1.000 12.862 34.638 5.632 -99.200 -91.000 HIS 291 0.900 9.889 36.389 -0.719 -99.200 -91.000 TYR 300 0.840 25.026 23.638 6.924 -99.200 -91.000 PHE 319 1.000 30.840 26.544 9.590 -99.200 -91.000 TYR 323 0.840 33.043 31.406 14.478 -99.200 -91.000 PHE 347 1.000 31.889 21.856 23.455 -99.200 -91.000 TYR 348 0.840 26.537 23.058 27.739 -99.200 -91.000 TYR 355 0.840 33.798 31.807 27.491 -99.200 -91.000 TYR 358 0.840 38.831 25.722 22.507 -99.200 -91.000