============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 6 1.000 8.280 -16.662 11.155 -99.200 -91.000 PHE 15 1.000 7.988 -21.203 6.805 -99.200 -91.000 HIS 17 0.900 3.053 -20.125 3.660 -99.200 -91.000 HIS 20 0.900 9.701 -24.685 4.656 -99.200 -91.000 HIS 31 0.900 -0.979 -22.922 8.298 -99.200 -91.000 PHE 41 1.000 6.114 -19.615 14.411 -99.200 -91.000 HIS 47 0.900 14.039 -22.518 19.678 -99.200 -91.000 HIS 55 0.900 13.624 -27.559 9.418 -99.200 -91.000 HIS 69 0.900 17.495 -18.087 15.933 -99.200 -91.000