============================================================================= 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. TYR 4 0.840 22.565 30.357 70.961 -99.200 -91.000 PHE 9 1.000 30.484 34.084 56.861 -99.200 -91.000 PHE 13 1.000 29.004 38.136 56.210 -99.200 -91.000 PHE 25 1.000 19.119 24.161 60.592 -99.200 -91.000 TYR 27 0.840 20.158 29.690 58.095 -99.200 -91.000 HIS 32 0.900 30.012 41.153 63.222 -99.200 -91.000 HIS 35 0.900 27.037 48.192 65.112 -99.200 -91.000 TYR 46 0.840 6.991 36.207 64.329 -99.200 -91.000 TYR 52 0.840 21.434 35.536 68.325 -99.200 -91.000 HIS 56 0.900 23.029 35.044 72.558 -99.200 -91.000 TYR 59 0.840 22.869 45.286 67.088 -99.200 -91.000 PHE 61 1.000 15.155 41.800 61.904 -99.200 -91.000 HIS 68 0.900 11.538 27.206 49.651 -99.200 -91.000 HIS 70 0.900 7.533 24.659 49.129 -99.200 -91.000 TRP 71 1.040 2.398 29.375 56.424 -99.200 -91.000 TRP6 71 1.020 1.843 31.421 55.369 -99.200 -91.000 HIS 73 0.900 11.951 27.098 53.757 -99.200 -91.000 HIS 129 0.900 11.488 22.439 47.677 -99.200 -91.000 HIS 133 0.900 14.793 27.587 46.686 -99.200 -91.000 TYR 136 0.840 17.654 35.491 48.953 -99.200 -91.000 HIS 140 0.900 31.866 44.793 54.100 -99.200 -91.000 HIS 143 0.900 36.498 44.293 55.449 -99.200 -91.000 PHE 151 1.000 21.984 33.106 54.403 -99.200 -91.000 PHE 157 1.000 17.328 20.309 52.068 -99.200 -91.000 PHE 164 1.000 14.720 16.831 41.440 -99.200 -91.000 PHE 165 1.000 7.637 19.189 47.270 -99.200 -91.000 TYR 180 0.840 31.854 21.596 40.894 -99.200 -91.000 HIS 181 0.900 31.521 25.126 37.334 -99.200 -91.000 HIS 183 0.900 33.257 31.907 45.615 -99.200 -91.000 TYR 188 0.840 36.215 26.580 40.646 -99.200 -91.000 PHE 195 1.000 32.365 28.480 56.267 -99.200 -91.000 PHE 197 1.000 25.360 29.946 56.976 -99.200 -91.000 HIS 200 0.900 13.088 21.976 55.891 -99.200 -91.000 TYR 202 0.840 14.843 17.930 55.238 -99.200 -91.000 PHE 206 1.000 19.253 14.829 51.497 -99.200 -91.000 PHE 209 1.000 21.973 9.099 48.061 -99.200 -91.000 PHE 214 1.000 33.055 8.858 46.799 -99.200 -91.000 PHE 224 1.000 35.432 15.613 53.946 -99.200 -91.000 TYR 232 0.840 28.203 17.609 58.677 -99.200 -91.000 PHE 256 1.000 21.396 14.050 45.840 -99.200 -91.000 PHE 264 1.000 30.181 11.836 41.766 -99.200 -91.000 HIS 274 0.900 20.019 16.732 31.509 -99.200 -91.000 TYR 279 0.840 22.088 5.202 40.595 -99.200 -91.000 TYR 281 0.840 14.042 13.509 43.033 -99.200 -91.000