============================================================================= 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 7 1.000 -80.030 3.432 22.841 -99.200 -91.000 HIS 11 0.900 -83.543 0.896 25.677 -99.200 -91.000 TYR 20 0.840 -79.593 -3.329 36.806 -99.200 -91.000 PHE 41 1.000 -82.115 -0.373 32.393 -99.200 -91.000 HIS 43 0.900 -75.384 -3.674 32.649 -99.200 -91.000 TYR 68 0.840 -77.033 0.901 11.150 -99.200 -91.000 TYR 71 0.840 -69.545 -5.632 12.384 -99.200 -91.000 TYR 87 0.840 -99.054 2.883 37.487 -99.200 -91.000 TYR 92 0.840 -90.309 -3.993 35.509 -99.200 -91.000 HIS 100 0.900 -73.133 -10.857 18.444 -99.200 -91.000 TYR 110 0.840 -77.304 6.615 11.189 -99.200 -91.000 HIS 114 0.900 -86.845 0.720 18.960 -99.200 -91.000 PHE 115 1.000 -81.533 -3.324 23.187 -99.200 -91.000