============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 8 1.000 18.203 34.934 51.643 -99.200 -91.000 PHE 24 1.000 34.539 37.094 72.571 -99.200 -91.000 PHE 37 1.000 20.060 34.921 64.023 -99.200 -91.000 TYR 50 0.840 35.154 49.143 69.670 -99.200 -91.000 TYR 52 0.840 43.807 52.051 64.185 -99.200 -91.000 PHE 57 1.000 46.296 49.067 61.625 -99.200 -91.000 PHE 59 1.000 43.918 43.785 62.743 -99.200 -91.000 TRP 68 1.040 31.269 31.553 69.836 -99.200 -91.000 TRP6 68 1.020 29.296 32.149 68.693 -99.200 -91.000 HIS 77 0.900 28.311 43.035 56.220 -99.200 -91.000 HIS 79 0.900 28.438 48.247 61.285 -99.200 -91.000 TRP 83 1.040 29.289 54.912 60.426 -99.200 -91.000 TRP6 83 1.020 28.775 53.671 62.330 -99.200 -91.000 HIS 84 0.900 28.652 59.666 60.238 -99.200 -91.000 TYR 87 0.840 30.102 55.340 68.001 -99.200 -91.000 TRP 92 1.040 43.702 57.042 61.075 -99.200 -91.000 TRP6 92 1.020 42.202 57.473 59.296 -99.200 -91.000 PHE 100 1.000 41.179 61.955 56.703 -99.200 -91.000 PHE 104 1.000 39.907 56.437 53.465 -99.200 -91.000 HIS 107 0.900 40.884 52.247 59.052 -99.200 -91.000 HIS 114 0.900 44.011 40.337 61.203 -99.200 -91.000 PHE 115 1.000 39.741 41.646 60.560 -99.200 -91.000 TRP 122 1.040 35.602 43.929 54.912 -99.200 -91.000 TRP6 122 1.020 36.014 44.643 57.118 -99.200 -91.000 PHE 130 1.000 21.669 66.681 55.120 -99.200 -91.000 TYR 145 0.840 27.706 62.109 47.558 -99.200 -91.000 PHE 150 1.000 36.209 58.921 57.182 -99.200 -91.000 TYR 151 0.840 31.605 65.849 50.516 -99.200 -91.000 PHE 154 1.000 39.939 60.925 50.224 -99.200 -91.000 TYR 159 0.840 33.926 59.615 51.774 -99.200 -91.000 PHE 164 1.000 32.346 50.548 47.957 -99.200 -91.000 TYR 177 0.840 26.847 43.753 50.466 -99.200 -91.000 TYR 178 0.840 26.595 53.895 50.625 -99.200 -91.000 PHE 181 1.000 20.697 56.763 59.165 -99.200 -91.000 PHE 212 1.000 17.952 49.460 50.430 -99.200 -91.000 HIS 215 0.900 18.719 50.170 62.461 -99.200 -91.000 TYR 220 0.840 7.583 56.670 57.816 -99.200 -91.000 TYR 255 0.840 10.429 59.635 65.523 -99.200 -91.000 TYR 263 0.840 1.608 48.834 72.752 -99.200 -91.000 TYR 283 0.840 11.295 41.547 62.753 -99.200 -91.000 TYR 290 0.840 16.658 40.385 50.723 -99.200 -91.000 TRP 305 1.040 22.293 46.759 65.048 -99.200 -91.000 TRP6 305 1.020 24.081 46.094 63.653 -99.200 -91.000 TRP 313 1.040 19.727 50.296 67.537 -99.200 -91.000 TRP6 313 1.020 19.739 52.479 66.643 -99.200 -91.000 TYR 315 0.840 14.771 46.497 76.919 -99.200 -91.000 HIS 317 0.900 11.873 54.028 70.056 -99.200 -91.000 TRP 323 1.040 8.633 45.213 74.752 -99.200 -91.000 TRP6 323 1.020 7.288 47.160 74.805 -99.200 -91.000 PHE 327 1.000 15.348 34.150 69.300 -99.200 -91.000 TYR 337 0.840 12.484 31.917 65.393 -99.200 -91.000