============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 31 0.840 54.172 10.681 150.897 -99.200 -91.000 HIS 33 0.900 51.082 12.145 144.348 -99.200 -91.000 TRP 34 1.040 44.289 9.213 140.722 -99.200 -91.000 TRP6 34 1.020 43.530 7.276 139.581 -99.200 -91.000 TYR 35 0.840 51.536 11.917 137.338 -99.200 -91.000 TRP 46 1.040 43.193 15.310 135.482 -99.200 -91.000 TRP6 46 1.020 43.663 16.991 133.880 -99.200 -91.000 TYR 48 0.840 48.099 18.522 144.946 -99.200 -91.000 PHE 61 1.000 38.757 15.206 135.264 -99.200 -91.000 TYR 70 0.840 44.862 5.622 147.740 -99.200 -91.000 TYR 85 0.840 41.800 10.606 132.771 -99.200 -91.000 TYR 86 0.840 49.446 6.019 132.026 -99.200 -91.000 TYR 90 0.840 58.340 7.918 148.482 -99.200 -91.000 TYR 93 0.840 62.794 7.323 146.243 -99.200 -91.000 TYR 95 0.840 58.554 9.092 142.737 -99.200 -91.000 PHE 97 1.000 54.290 6.919 136.419 -99.200 -91.000 PHE 117 1.000 41.874 13.131 98.594 -99.200 -91.000 PHE 134 1.000 43.012 11.830 103.564 -99.200 -91.000 PHE 138 1.000 35.392 6.478 111.211 -99.200 -91.000 TYR 139 0.840 31.207 6.735 118.722 -99.200 -91.000 TRP 147 1.040 40.866 0.672 99.212 -99.200 -91.000 TRP6 147 1.020 41.127 2.715 98.032 -99.200 -91.000 TRP 162 1.040 40.576 3.337 112.334 -99.200 -91.000 TRP6 162 1.020 41.457 1.413 111.250 -99.200 -91.000 TYR 172 0.840 37.307 6.802 117.718 -99.200 -91.000 TYR 185 0.840 46.282 4.967 88.869 -99.200 -91.000 HIS 188 0.900 43.440 -2.970 86.743 -99.200 -91.000 TYR 191 0.840 42.246 2.611 90.073 -99.200 -91.000 HIS 197 0.900 28.753 3.578 110.402 -99.200 -91.000 PHE 208 1.000 40.805 7.742 91.177 -99.200 -91.000