============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 27 0.840 64.703 55.447 48.336 -99.200 -91.000 PHE 29 1.000 64.552 53.559 55.025 -99.200 -91.000 TRP 33 1.040 53.473 53.922 52.574 -99.200 -91.000 TRP6 33 1.020 52.597 52.866 54.481 -99.200 -91.000 TRP 36 1.040 59.797 43.980 54.239 -99.200 -91.000 TRP6 36 1.020 62.016 43.185 54.096 -99.200 -91.000 TRP 47 1.040 51.972 43.067 50.541 -99.200 -91.000 TRP6 47 1.020 50.140 43.443 51.980 -99.200 -91.000 TYR 52 0.840 55.591 56.961 54.958 -99.200 -91.000 HIS 59 0.900 48.000 49.759 56.302 -99.200 -91.000 TYR 60 0.840 52.894 43.454 60.154 -99.200 -91.000 PHE 64 1.000 53.608 35.924 54.878 -99.200 -91.000 TYR 80 0.840 67.010 46.214 60.628 -99.200 -91.000 TRP 83 1.040 60.174 34.932 60.093 -99.200 -91.000 TRP6 83 1.020 61.557 36.114 58.585 -99.200 -91.000 TYR 93 0.840 60.839 35.372 53.429 -99.200 -91.000 PHE 94 1.000 62.591 38.717 45.345 -99.200 -91.000 TYR 99 0.840 58.800 56.977 42.038 -99.200 -91.000 PHE 101 1.000 55.576 55.313 38.952 -99.200 -91.000 PHE 109 1.000 55.179 47.323 46.314 -99.200 -91.000 TRP 112 1.040 60.516 45.048 42.584 -99.200 -91.000 TRP6 112 1.020 59.226 43.500 43.797 -99.200 -91.000 PHE 131 1.000 73.035 3.655 46.889 -99.200 -91.000 TYR 147 0.840 73.100 16.496 47.193 -99.200 -91.000 PHE 148 1.000 70.987 20.963 54.166 -99.200 -91.000 TRP 156 1.040 78.450 10.915 33.527 -99.200 -91.000 TRP6 156 1.020 77.910 8.769 34.352 -99.200 -91.000 HIS 166 0.900 69.868 17.699 31.651 -99.200 -91.000 PHE 168 1.000 67.677 14.505 34.482 -99.200 -91.000 TYR 178 0.840 68.950 20.319 48.603 -99.200 -91.000 TYR 196 0.840 79.800 4.162 29.157 -99.200 -91.000 HIS 202 0.900 77.781 17.695 49.602 -99.200 -91.000