============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. ADE 1 1.140 7.456 -18.062 9.688 -99.200 -91.000 ADE6 1 0.900 5.428 -19.059 9.477 -99.200 -91.000 GUA 2 1.000 9.374 -14.307 7.961 -99.200 -91.000 GUA6 2 0.510 7.961 -12.570 7.557 -99.200 -91.000 GUA 3 1.000 13.670 -9.438 4.771 -99.200 -91.000 GUA6 3 0.510 12.516 -7.484 4.769 -99.200 -91.000 GUA 4 1.000 10.442 -9.370 0.902 -99.200 -91.000 GUA6 4 0.510 8.729 -10.865 1.113 -99.200 -91.000 ADE 5 1.140 12.877 -3.593 -0.497 -99.200 -91.000 ADE6 5 0.900 12.880 -1.326 -0.628 -99.200 -91.000 URA 6 0.300 14.764 -3.725 -5.260 -99.200 -91.000