============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 3 rings ring int. center anis. iso. HIS 6 0.900 -1.475 51.728 4.648 -99.200 -91.000 HIS 49 0.900 5.686 52.732 13.373 -99.200 -91.000 PHE 50 1.000 1.464 59.529 6.703 -99.200 -91.000