============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. HIS 3 0.900 48.332 22.863 15.056 -99.200 -91.000 HIS 12 0.900 24.007 22.771 31.746 -99.200 -91.000 PHE 14 1.000 22.555 26.793 22.778 -99.200 -91.000 PHE 16 1.000 24.188 19.949 28.766 -99.200 -91.000 PHE 47 1.000 44.554 23.975 26.729 -99.200 -91.000 HIS 51 0.900 47.227 18.647 23.905 -99.200 -91.000 PHE 61 1.000 43.719 23.926 37.526 -99.200 -91.000 TYR 66 0.840 27.763 16.567 28.340 -99.200 -91.000 TYR 68 0.840 23.039 23.969 18.767 -99.200 -91.000 PHE 82 1.000 39.037 24.536 13.862 -99.200 -91.000 PHE 84 1.000 38.561 21.372 19.330 -99.200 -91.000 TYR 87 0.840 40.632 29.376 27.612 -99.200 -91.000 TYR 94 0.840 27.194 34.003 28.020 -99.200 -91.000 TRP 97 1.040 34.016 49.861 28.845 -99.200 -91.000 TRP6 97 1.020 36.139 49.561 27.855 -99.200 -91.000 HIS 101 0.900 39.119 45.265 32.581 -99.200 -91.000 TRP 102 1.040 35.298 45.310 25.487 -99.200 -91.000 TRP6 102 1.020 32.945 45.047 25.326 -99.200 -91.000 PHE 121 1.000 30.775 35.944 22.697 -99.200 -91.000 PHE 133 1.000 29.882 38.620 18.214 -99.200 -91.000 PHE 137 1.000 25.914 29.063 17.446 -99.200 -91.000 PHE 138 1.000 19.208 28.369 19.147 -99.200 -91.000 HIS 157 0.900 8.876 48.735 26.708 -99.200 -91.000 HIS 162 0.900 10.390 49.648 32.986 -99.200 -91.000 HIS 163 0.900 5.634 52.199 38.087 -99.200 -91.000 PHE 168 1.000 6.169 42.766 41.360 -99.200 -91.000 PHE 170 1.000 12.910 43.711 37.867 -99.200 -91.000 TYR 181 0.840 16.881 45.479 25.948 -99.200 -91.000 PHE 186 1.000 13.817 49.426 29.126 -99.200 -91.000 HIS 190 0.900 22.815 48.377 34.784 -99.200 -91.000 TYR 192 0.840 14.168 47.379 41.764 -99.200 -91.000 TYR 196 0.840 16.143 42.291 43.916 -99.200 -91.000 TYR 207 0.840 19.786 33.028 44.064 -99.200 -91.000 PHE 218 1.000 17.814 34.410 35.519 -99.200 -91.000 TYR 227 0.840 18.186 22.103 28.571 -99.200 -91.000 PHE 244 1.000 12.885 41.352 26.999 -99.200 -91.000 TYR 249 0.840 22.582 32.072 21.822 -99.200 -91.000 TYR 270 0.840 28.726 23.094 9.355 -99.200 -91.000 HIS 273 0.900 23.220 21.903 2.309 -99.200 -91.000 PHE 275 1.000 25.730 19.633 12.325 -99.200 -91.000 HIS 280 0.900 15.545 23.030 18.835 -99.200 -91.000 TRP 283 1.040 23.346 18.704 21.592 -99.200 -91.000 TRP6 283 1.020 24.329 17.437 23.330 -99.200 -91.000 TYR 284 0.840 16.997 23.883 23.198 -99.200 -91.000