============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. HIS 5 0.900 10.912 14.028 -3.189 -99.200 -91.000 TYR 7 0.840 15.427 18.631 -11.181 -99.200 -91.000 TYR 33 0.840 32.857 24.819 5.499 -99.200 -91.000 TRP 40 1.040 38.188 37.847 -2.613 -99.200 -91.000 TRP6 40 1.020 38.526 38.062 -0.281 -99.200 -91.000 HIS 43 0.900 30.185 38.823 0.516 -99.200 -91.000 TYR 46 0.840 32.780 30.261 4.541 -99.200 -91.000 TRP 49 1.040 28.654 33.683 0.018 -99.200 -91.000 TRP6 49 1.020 29.004 31.358 0.258 -99.200 -91.000 TRP 53 1.040 25.454 30.481 2.879 -99.200 -91.000 TRP6 53 1.020 25.753 28.724 4.434 -99.200 -91.000 PHE 70 1.000 27.037 16.455 6.315 -99.200 -91.000 TYR 75 0.840 40.383 29.674 7.959 -99.200 -91.000 HIS 90 0.900 27.446 34.794 11.741 -99.200 -91.000 TRP 105 1.040 31.176 10.345 8.367 -99.200 -91.000 TRP6 105 1.020 30.869 11.376 6.260 -99.200 -91.000 TYR 107 0.840 36.839 10.407 7.153 -99.200 -91.000 PHE 116 1.000 49.166 15.534 9.124 -99.200 -91.000 PHE 117 1.000 48.679 12.038 16.856 -99.200 -91.000 HIS 121 0.900 38.102 14.805 13.292 -99.200 -91.000 TRP 126 1.040 20.148 19.036 15.458 -99.200 -91.000 TRP6 126 1.020 19.615 17.521 17.199 -99.200 -91.000 PHE 127 1.000 24.496 25.821 15.039 -99.200 -91.000 TYR 133 0.840 15.730 19.674 19.845 -99.200 -91.000 PHE 134 1.000 10.153 14.723 14.585 -99.200 -91.000 PHE 135 1.000 16.929 13.334 18.626 -99.200 -91.000 TYR 144 0.840 21.123 -2.834 23.220 -99.200 -91.000 TYR 152 0.840 22.543 -4.866 27.638 -99.200 -91.000 TRP 173 1.040 26.175 9.655 14.203 -99.200 -91.000 TRP6 173 1.020 24.908 10.987 12.716 -99.200 -91.000 HIS 188 0.900 29.473 17.016 -5.846 -99.200 -91.000 HIS 206 0.900 7.372 16.802 10.842 -99.200 -91.000 PHE 214 1.000 20.813 26.529 1.887 -99.200 -91.000 PHE 215 1.000 25.572 26.176 -0.007 -99.200 -91.000 PHE 241 1.000 21.038 19.561 -8.075 -99.200 -91.000 TYR 244 0.840 27.156 15.345 -10.661 -99.200 -91.000 TYR 245 0.840 16.691 15.832 -8.295 -99.200 -91.000 PHE 251 1.000 22.627 5.819 -8.370 -99.200 -91.000 TYR 255 0.840 9.695 8.578 -6.600 -99.200 -91.000 PHE 264 1.000 12.608 26.574 -5.072 -99.200 -91.000