============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 12 1.000 -9.906 4.323 0.769 -99.200 -91.000 PHE 14 1.000 -7.925 0.444 5.642 -99.200 -91.000 TRP 25 1.040 9.612 6.859 2.024 -99.200 -91.000 TRP6 25 1.020 11.272 7.369 0.411 -99.200 -91.000 HIS 41 0.900 8.706 -0.054 -2.444 -99.200 -91.000 TYR 46 0.840 15.028 3.665 2.591 -99.200 -91.000 PHE 51 1.000 10.913 5.449 7.257 -99.200 -91.000 HIS 75 0.900 7.277 -12.649 3.740 -99.200 -91.000 TYR 78 0.840 11.950 -6.370 0.425 -99.200 -91.000 TYR 102 0.840 -7.325 -0.323 15.431 -99.200 -91.000 TRP 123 1.040 -2.119 11.801 1.511 -99.200 -91.000 TRP6 123 1.020 -2.540 9.904 2.860 -99.200 -91.000 TYR 154 0.840 4.805 -5.232 -15.163 -99.200 -91.000 PHE 164 1.000 -3.816 -7.500 -5.717 -99.200 -91.000 TRP 197 1.040 6.595 -4.832 -8.529 -99.200 -91.000 TRP6 197 1.020 7.088 -5.368 -10.762 -99.200 -91.000 TYR 206 0.840 4.631 -2.131 -19.949 -99.200 -91.000 TYR 210 0.840 -1.836 -2.464 -6.750 -99.200 -91.000 PHE 219 1.000 5.893 -10.186 7.666 -99.200 -91.000 TYR 223 0.840 6.848 -12.004 12.850 -99.200 -91.000