============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 8 1.000 0.324 -27.796 -13.592 -99.200 -91.000 HIS 12 0.900 3.603 -25.431 -16.630 -99.200 -91.000 TYR 25 0.840 9.854 -32.297 -25.144 -99.200 -91.000 PHE 46 1.000 5.961 -28.541 -22.452 -99.200 -91.000 HIS 48 0.900 8.887 -35.041 -20.339 -99.200 -91.000 TYR 73 0.840 0.322 -28.292 -1.173 -99.200 -91.000 TYR 76 0.840 5.694 -36.330 0.285 -99.200 -91.000 TYR 92 0.840 4.975 -14.035 -33.072 -99.200 -91.000 TYR 97 0.840 10.670 -21.775 -26.890 -99.200 -91.000 HIS 105 0.900 12.738 -33.819 -4.866 -99.200 -91.000 TYR 115 0.840 -5.292 -27.611 -2.541 -99.200 -91.000 HIS 119 0.900 -0.625 -20.003 -11.147 -99.200 -91.000 PHE 120 1.000 7.100 -26.722 -12.904 -99.200 -91.000