============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. PHE 2 1.000 10.665 9.023 34.269 -99.200 -91.000 HIS 6 0.900 17.934 7.842 27.684 -99.200 -91.000 HIS 45 0.900 18.223 6.377 22.769 -99.200 -91.000 HIS 57 0.900 28.662 1.658 16.507 -99.200 -91.000