============================================================================= 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 20 1.000 -17.609 48.239 14.000 -99.200 -91.000 HIS 22 0.900 -18.255 51.894 10.896 -99.200 -91.000 HIS 25 0.900 -19.184 50.447 17.752 -99.200 -91.000 HIS 34 0.900 -11.626 52.649 10.531 -99.200 -91.000 HIS 35 0.900 -3.822 51.769 14.158 -99.200 -91.000 TYR 43 0.840 -10.719 56.736 7.707 -99.200 -91.000 HIS 52 0.900 -3.460 45.190 13.361 -99.200 -91.000 TYR 65 0.840 -8.876 35.506 19.504 -99.200 -91.000 TYR 66 0.840 -2.649 40.689 21.932 -99.200 -91.000 HIS 69 0.900 -11.650 38.245 19.847 -99.200 -91.000 HIS 76 0.900 -3.386 52.682 18.388 -99.200 -91.000 HIS 83 0.900 -17.994 46.124 22.791 -99.200 -91.000 HIS 106 0.900 -17.725 35.900 18.550 -99.200 -91.000