Table 8.

Calculated ¹H and ¹⁴N hyperfine couplings (MHz) for the Q_A and Q_B site hydrogen bonding interactions with SQ

QA sitea			QB site
Position	Anisotropic T33,T22,T11	Isotropic a	Position	Anisotropic T33,T22,T11	Isotropic a
1HN His-M219	10.4 −5.3 −5.0	0.6	1HN His-L190	10.2 −5.3 −4.9	−0.4
1HN Ala-M260	9.3 −4.7 −4.6	−1.8	1HN Gly-L225	6.6 −3.7 −2.9	−0.6
			1HN Ile-L224	3.9 −2.1 −1.8	−0.1
			1HO Ser-L223	7.6 −4.0 −3.7	−0.8
14Nδ His-M219	0.6 −0.3 −0.3	2.6	14Nδ His-L190	0.4 −0.2 −0.2	1.5
14NH Ala-M260	0.6 −0.3 −0.3	1.5	14NH Gly-L225	0.3 −0.2 −0.1	0.6
			14NH Ile-L224	0.2 −0.1 −0.1	0.1

^aQ_A data taken from ²⁰.