============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. HIS 1 0.900 -20.587 3.311 2.181 -99.200 -91.000 TYR 4 0.840 -12.952 -0.765 9.346 -99.200 -91.000 TYR 9 0.840 -8.447 -6.827 10.260 -99.200 -91.000 TYR 14 0.840 -2.614 -11.753 9.091 -99.200 -91.000 TYR 51 0.840 -2.916 -2.732 13.052 -99.200 -91.000 PHE 56 1.000 -0.017 4.875 8.075 -99.200 -91.000 TYR 58 0.840 5.156 10.595 16.622 -99.200 -91.000 TYR 62 0.840 -3.481 12.246 6.979 -99.200 -91.000 PHE 74 1.000 -4.469 8.625 3.692 -99.200 -91.000 TYR 90 0.840 2.227 18.545 -5.604 -99.200 -91.000 PHE 116 1.000 3.217 15.844 -0.658 -99.200 -91.000 PHE 123 1.000 6.223 10.974 4.741 -99.200 -91.000 PHE 126 1.000 13.203 1.086 1.942 -99.200 -91.000 TYR 139 0.840 0.047 -14.492 -1.290 -99.200 -91.000 TYR 141 0.840 -6.670 -9.593 5.795 -99.200 -91.000 PHE 145 1.000 6.245 -4.782 7.106 -99.200 -91.000