============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. PHE 8 1.000 34.729 19.772 104.671 -99.200 -91.000 TRP 17 1.040 32.345 14.827 96.212 -99.200 -91.000 TRP6 17 1.020 33.222 13.351 94.585 -99.200 -91.000 HIS 22 0.900 35.296 18.821 99.150 -99.200 -91.000 TYR 23 0.840 40.269 13.135 106.440 -99.200 -91.000 PHE 33 1.000 43.476 24.268 102.251 -99.200 -91.000 TYR 39 0.840 24.482 22.038 111.615 -99.200 -91.000 PHE 61 1.000 30.980 25.450 116.343 -99.200 -91.000 PHE 67 1.000 29.898 25.076 110.533 -99.200 -91.000 HIS 85 0.900 24.440 22.284 97.453 -99.200 -91.000 TYR 86 0.840 16.925 29.304 98.478 -99.200 -91.000 PHE 95 1.000 21.587 31.698 111.457 -99.200 -91.000 TYR 104 0.840 39.668 32.113 101.079 -99.200 -91.000 PHE 106 1.000 35.445 23.933 97.648 -99.200 -91.000 TRP 109 1.040 27.624 21.143 89.020 -99.200 -91.000 TRP6 109 1.020 26.772 23.244 88.366 -99.200 -91.000 TYR 122 0.840 27.204 36.049 92.150 -99.200 -91.000 TYR 143 0.840 44.730 12.982 81.626 -99.200 -91.000 TYR 155 0.840 51.282 21.173 69.216 -99.200 -91.000 TRP 170 1.040 24.239 3.450 88.892 -99.200 -91.000 TRP6 170 1.020 24.679 1.447 87.720 -99.200 -91.000 TYR 171 0.840 20.802 9.571 85.916 -99.200 -91.000 TYR 173 0.840 17.047 0.362 77.866 -99.200 -91.000 TYR 182 0.840 19.401 12.103 96.731 -99.200 -91.000 TYR 184 0.840 17.978 6.804 90.069 -99.200 -91.000 PHE 197 1.000 25.105 19.969 78.583 -99.200 -91.000 HIS 199 0.900 31.147 18.388 87.397 -99.200 -91.000 TYR 206 0.840 39.405 26.541 82.543 -99.200 -91.000 TYR 211 0.840 31.541 32.362 78.983 -99.200 -91.000 PHE 212 1.000 28.262 25.950 73.829 -99.200 -91.000 PHE 220 1.000 15.373 12.565 72.992 -99.200 -91.000 HIS 247 0.900 18.601 7.898 75.607 -99.200 -91.000 PHE 250 1.000 24.773 21.962 73.810 -99.200 -91.000 PHE 265 1.000 26.983 14.786 77.375 -99.200 -91.000 HIS 276 0.900 37.103 16.658 64.611 -99.200 -91.000 TYR 297 0.840 44.186 11.663 66.734 -99.200 -91.000 TYR 298 0.840 51.632 17.598 60.822 -99.200 -91.000 TYR 309 0.840 49.733 14.806 79.795 -99.200 -91.000 HIS 310 0.900 46.938 6.930 80.712 -99.200 -91.000 TYR 314 0.840 45.384 12.353 88.195 -99.200 -91.000 HIS 322 0.900 46.247 16.951 96.605 -99.200 -91.000 TYR 325 0.840 39.912 21.171 99.595 -99.200 -91.000 PHE 331 1.000 43.126 34.224 95.765 -99.200 -91.000 HIS 332 0.900 44.961 32.317 103.082 -99.200 -91.000 PHE 333 1.000 48.704 29.417 103.229 -99.200 -91.000 PHE 345 1.000 39.437 34.443 91.892 -99.200 -91.000 PHE 350 1.000 35.979 31.482 78.900 -99.200 -91.000 PHE 352 1.000 46.014 28.201 80.899 -99.200 -91.000 PHE 355 1.000 39.736 30.137 94.147 -99.200 -91.000 HIS 365 0.900 22.860 25.830 88.824 -99.200 -91.000 TYR 372 0.840 16.520 20.422 82.100 -99.200 -91.000 HIS 388 0.900 27.440 40.310 78.531 -99.200 -91.000 TYR 389 0.840 23.766 42.824 85.147 -99.200 -91.000