============================================================================= 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 -7.966 42.953 7.627 -99.200 -91.000 HIS 12 0.900 -8.198 47.060 4.633 -99.200 -91.000 TYR 25 0.840 0.945 49.289 -3.990 -99.200 -91.000 PHE 46 1.000 -4.249 47.906 -1.267 -99.200 -91.000 HIS 48 0.900 3.030 46.835 0.790 -99.200 -91.000 TYR 73 0.840 -7.475 42.614 20.322 -99.200 -91.000 TYR 76 0.840 2.412 43.259 21.960 -99.200 -91.000 TYR 92 0.840 -19.626 55.905 -11.200 -99.200 -91.000 TYR 97 0.840 -7.937 55.604 -5.497 -99.200 -91.000 HIS 105 0.900 3.785 50.863 16.761 -99.200 -91.000 TYR 115 0.840 -10.947 37.922 18.813 -99.200 -91.000 HIS 119 0.900 -13.036 49.009 10.908 -99.200 -91.000 PHE 120 1.000 -5.504 49.655 8.579 -99.200 -91.000