============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 27 1.000 26.219 100.604 103.461 -99.200 -91.000 PHE 29 1.000 30.756 100.731 107.479 -99.200 -91.000 TYR 32 0.840 25.085 95.517 103.574 -99.200 -91.000 TRP 33 1.040 31.648 89.946 104.937 -99.200 -91.000 TRP6 33 1.020 33.767 88.903 105.088 -99.200 -91.000 TRP 36 1.040 39.655 99.823 101.469 -99.200 -91.000 TRP6 36 1.020 39.362 102.079 100.820 -99.200 -91.000 TRP 47 1.040 39.295 91.760 96.667 -99.200 -91.000 TRP6 47 1.020 40.484 90.431 98.231 -99.200 -91.000 TYR 60 0.840 45.077 92.794 104.522 -99.200 -91.000 PHE 68 1.000 48.258 96.810 99.615 -99.200 -91.000 TYR 80 0.840 38.836 104.777 108.987 -99.200 -91.000 TYR 94 0.840 44.878 103.046 96.074 -99.200 -91.000 TYR 95 0.840 37.615 102.679 91.502 -99.200 -91.000 PHE 101 1.000 30.565 86.602 103.067 -99.200 -91.000 TYR 104 0.840 21.135 82.882 105.440 -99.200 -91.000 HIS 106 0.900 25.387 78.425 99.317 -99.200 -91.000 TYR 107 0.840 24.118 87.936 94.891 -99.200 -91.000 TYR 111 0.840 24.286 100.367 96.008 -99.200 -91.000 TRP 112 1.040 31.651 98.528 92.645 -99.200 -91.000 TRP6 112 1.020 33.795 97.722 92.082 -99.200 -91.000 PHE 131 1.000 46.800 128.122 77.381 -99.200 -91.000 TYR 154 0.840 46.010 118.009 84.314 -99.200 -91.000 PHE 155 1.000 52.724 114.765 88.282 -99.200 -91.000 TRP 163 1.040 32.156 122.328 78.700 -99.200 -91.000 TRP6 163 1.020 33.207 124.080 77.524 -99.200 -91.000 HIS 173 0.900 31.673 113.769 72.711 -99.200 -91.000 PHE 175 1.000 38.219 114.211 72.912 -99.200 -91.000 TYR 185 0.840 49.115 113.028 84.267 -99.200 -91.000 TYR 203 0.840 27.920 127.896 74.074 -99.200 -91.000 HIS 209 0.900 45.657 120.009 89.229 -99.200 -91.000