============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 4 1.000 38.817 37.533 24.127 -99.200 -91.000 TYR 19 0.840 14.832 34.657 11.269 -99.200 -91.000 PHE 23 1.000 12.642 29.439 -0.069 -99.200 -91.000 TYR 25 0.840 12.891 30.276 5.109 -99.200 -91.000 TYR 33 0.840 29.089 38.471 18.303 -99.200 -91.000 TRP 39 1.040 41.763 38.843 19.763 -99.200 -91.000 TRP6 39 1.020 40.278 37.947 18.146 -99.200 -91.000 HIS 40 0.900 44.022 48.239 22.354 -99.200 -91.000 PHE 45 1.000 49.456 41.242 17.196 -99.200 -91.000 TYR 67 0.840 29.182 24.215 7.218 -99.200 -91.000 TRP 78 1.040 28.686 34.029 3.303 -99.200 -91.000 TRP6 78 1.020 26.465 33.238 3.321 -99.200 -91.000 TYR 84 0.840 26.792 41.037 9.825 -99.200 -91.000 TRP 95 1.040 41.234 25.817 13.122 -99.200 -91.000 TRP6 95 1.020 39.936 27.513 14.168 -99.200 -91.000 PHE 99 1.000 40.895 41.055 7.820 -99.200 -91.000 TRP 102 1.040 43.859 45.261 10.530 -99.200 -91.000 TRP6 102 1.020 44.193 47.462 11.325 -99.200 -91.000 TYR 129 0.840 9.828 22.868 7.916 -99.200 -91.000 TYR 144 0.840 49.543 39.635 8.497 -99.200 -91.000 PHE 158 1.000 31.660 33.551 16.651 -99.200 -91.000 PHE 163 1.000 16.997 29.181 12.443 -99.200 -91.000