============================================================================= 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 9 1.000 36.396 73.554 25.471 -99.200 -91.000 PHE 34 1.000 24.592 79.085 25.489 -99.200 -91.000 TYR 39 0.840 29.742 71.957 32.288 -99.200 -91.000 TYR 42 0.840 32.729 66.652 33.855 -99.200 -91.000 PHE 44 1.000 40.997 69.655 26.315 -99.200 -91.000 TYR 46 0.840 37.266 63.170 34.134 -99.200 -91.000 HIS 50 0.900 37.216 61.052 19.945 -99.200 -91.000 TYR 53 0.840 44.686 66.908 27.004 -99.200 -91.000 HIS 59 0.900 39.096 76.489 38.442 -99.200 -91.000 PHE 74 1.000 38.178 86.239 25.425 -99.200 -91.000 TRP 83 1.040 37.502 86.605 18.420 -99.200 -91.000 TRP6 83 1.020 37.839 84.625 19.680 -99.200 -91.000 TYR 90 0.840 44.877 82.385 10.593 -99.200 -91.000 TYR 98 0.840 26.940 83.508 15.939 -99.200 -91.000 HIS 107 0.900 33.819 84.678 15.579 -99.200 -91.000 TYR 136 0.840 43.278 81.275 2.449 -99.200 -91.000 HIS 161 0.900 35.660 63.370 -12.739 -99.200 -91.000 PHE 164 1.000 39.636 53.933 -12.339 -99.200 -91.000 HIS 175 0.900 27.359 61.345 10.429 -99.200 -91.000 TYR 177 0.840 24.680 58.305 19.360 -99.200 -91.000 TRP 192 1.040 8.251 67.153 11.632 -99.200 -91.000 TRP6 192 1.020 6.079 66.691 10.811 -99.200 -91.000 HIS 199 0.900 21.048 57.323 22.423 -99.200 -91.000 PHE 229 1.000 19.366 54.874 5.295 -99.200 -91.000 TYR 251 0.840 36.781 46.876 -5.457 -99.200 -91.000 TYR 272 0.840 44.069 49.929 -0.460 -99.200 -91.000 PHE 282 1.000 38.778 52.627 9.868 -99.200 -91.000 HIS 287 0.900 44.895 58.410 7.616 -99.200 -91.000 PHE 291 1.000 38.611 51.922 -1.729 -99.200 -91.000 PHE 303 1.000 25.507 50.761 -11.005 -99.200 -91.000 TRP 309 1.040 35.299 52.062 7.297 -99.200 -91.000 TRP6 309 1.020 33.370 51.624 8.584 -99.200 -91.000 TYR 310 0.840 32.455 60.343 7.334 -99.200 -91.000 TYR 314 0.840 41.828 62.749 16.793 -99.200 -91.000 TYR 316 0.840 34.907 69.157 10.007 -99.200 -91.000 HIS 318 0.900 44.566 65.073 13.607 -99.200 -91.000 TYR 326 0.840 46.930 75.893 1.900 -99.200 -91.000 PHE 328 1.000 50.719 82.033 10.811 -99.200 -91.000