============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. PHE 1 1.000 8.444 11.765 -40.919 -99.200 -91.000 PHE 19 1.000 11.268 -0.269 -55.788 -99.200 -91.000 TRP 29 1.040 8.447 -15.527 -55.309 -99.200 -91.000 TRP6 29 1.020 9.906 -13.687 -55.128 -99.200 -91.000 PHE 38 1.000 -9.618 -21.062 -51.642 -99.200 -91.000 PHE 44 1.000 -15.384 -32.890 -49.963 -99.200 -91.000 TYR 60 0.840 -27.895 -28.000 -44.833 -99.200 -91.000 PHE 71 1.000 -8.104 -37.971 -45.897 -99.200 -91.000 PHE 73 1.000 -13.895 -34.057 -54.893 -99.200 -91.000 PHE 84 1.000 -0.732 -28.878 -48.963 -99.200 -91.000 TYR 91 0.840 2.279 -31.403 -39.359 -99.200 -91.000 HIS 93 0.900 -6.068 -37.608 -35.661 -99.200 -91.000 TRP 107 1.040 -8.166 -26.591 -43.260 -99.200 -91.000 TRP6 107 1.020 -6.444 -28.124 -43.828 -99.200 -91.000 TYR 116 0.840 -21.993 -12.816 -41.585 -99.200 -91.000 TYR 132 0.840 2.318 -26.139 -32.506 -99.200 -91.000 PHE 133 1.000 4.280 -20.172 -41.637 -99.200 -91.000 TYR 139 0.840 7.155 -17.975 -32.428 -99.200 -91.000 PHE 151 1.000 -7.733 -8.889 -35.884 -99.200 -91.000 TYR 162 0.840 -7.432 -3.938 -38.813 -99.200 -91.000 PHE 164 1.000 1.395 2.994 -35.197 -99.200 -91.000 HIS 165 0.900 -9.213 2.625 -34.407 -99.200 -91.000 HIS 171 0.900 -7.777 6.086 -23.060 -99.200 -91.000 PHE 186 1.000 7.708 0.613 -45.321 -99.200 -91.000 TYR 189 0.840 4.780 0.320 -41.191 -99.200 -91.000 TYR 198 0.840 1.292 8.597 -31.159 -99.200 -91.000 HIS 206 0.900 26.116 -1.866 -38.789 -99.200 -91.000 TYR 208 0.840 27.694 1.780 -37.659 -99.200 -91.000 TRP 213 1.040 34.231 -5.022 -35.530 -99.200 -91.000 TRP6 213 1.020 33.152 -4.446 -37.555 -99.200 -91.000 PHE 244 1.000 16.357 -4.917 -35.089 -99.200 -91.000 TYR 269 0.840 10.733 -7.495 -46.693 -99.200 -91.000 PHE 272 1.000 12.184 -13.609 -49.001 -99.200 -91.000 PHE 276 1.000 13.392 -13.051 -38.439 -99.200 -91.000 TYR 280 0.840 5.435 -13.795 -29.573 -99.200 -91.000 TYR 285 0.840 4.414 -9.118 -19.695 -99.200 -91.000 TYR 290 0.840 4.336 -14.427 -41.728 -99.200 -91.000 TYR 292 0.840 0.800 -16.734 -44.025 -99.200 -91.000 PHE 295 1.000 4.352 -18.996 -47.837 -99.200 -91.000 TRP 300 1.040 -4.884 -15.503 -52.257 -99.200 -91.000 TRP6 300 1.020 -7.143 -16.017 -51.819 -99.200 -91.000 PHE 313 1.000 1.486 -4.701 -26.888 -99.200 -91.000 HIS 319 0.900 -0.482 -2.290 -13.580 -99.200 -91.000 HIS 329 0.900 -17.251 -1.918 -17.306 -99.200 -91.000 TYR 332 0.840 -13.051 -2.235 -26.113 -99.200 -91.000 PHE 343 1.000 -4.120 -3.801 -27.712 -99.200 -91.000 TYR 357 0.840 -15.758 -8.404 -31.042 -99.200 -91.000 HIS 358 0.900 -20.832 -9.758 -31.223 -99.200 -91.000 PHE 372 1.000 0.116 -19.199 -49.805 -99.200 -91.000 HIS 375 0.900 8.115 -23.794 -42.734 -99.200 -91.000 TYR 388 0.840 7.740 -20.908 -52.269 -99.200 -91.000 TYR 400 0.840 22.851 -8.249 -53.099 -99.200 -91.000 HIS 404 0.900 24.382 -5.476 -55.460 -99.200 -91.000 HIS 418 0.900 21.785 -11.544 -50.213 -99.200 -91.000 TYR 419 0.840 11.548 -8.944 -51.251 -99.200 -91.000 TYR 420 0.840 12.768 -4.218 -50.814 -99.200 -91.000 TYR 426 0.840 25.173 11.476 -55.826 -99.200 -91.000 TYR 433 0.840 33.161 7.858 -65.484 -99.200 -91.000 PHE 437 1.000 30.731 12.127 -63.576 -99.200 -91.000 TYR 440 0.840 28.737 18.245 -64.323 -99.200 -91.000 PHE 445 1.000 21.450 11.368 -60.219 -99.200 -91.000 PHE 450 1.000 20.386 6.870 -62.906 -99.200 -91.000 PHE 468 1.000 17.740 7.626 -57.886 -99.200 -91.000 TYR 487 0.840 16.695 -8.033 -60.744 -99.200 -91.000 TYR 501 0.840 23.530 11.582 -65.800 -99.200 -91.000 TYR 502 0.840 34.385 11.584 -67.574 -99.200 -91.000 PHE 505 1.000 33.203 16.699 -65.239 -99.200 -91.000