Table 2. Summary of ³¹P NMR data at pH 7.4 for Ti₆O₇(ATP)₅(H₂O)₃₄ and for AMP, ADP, and ATP in the Presence and Absence of [Ti(Cit)₃]^8–a.

sample	chemical shift (δ, ppm)
AMP (Figure S15g)	3.35 (s)
Ti(IV) + AMP (Figure S15f)	3.13 (s)
ADP (Figure S15e)	–6.80 (d, I = 1.00), −11.21 (d, I = 1.01)
Ti(IV) + ADP (Figure S15d)	–7.69 (d, I = 1.00), −11.26 (d, I = 1.02)
ATP (Figure 5b)	–7.59 (s(wide), I = 1.00), −11.60 (d, I = 1.11), −22.49 (t, I = 1.02)
Ti(IV) + ATP (Figure S15b)	–7.37 (d, I = 5.37), −11.22 (d, ADP species, I = 1.00), −11.55 (d, I = 5.56), −22.28 (t, I = 5.04)
Ti6O7(ATP)5(H2O)34 (Figure 5a)	3.30 (s, free AMP, I = 2.02)
	1.995 (s, free phosphate, I = 1.00)
	–6.56 (d, ATP species, I = 0.867)
	–6.85 (d, ADP species, I = 0.997)
	–11.21 (d, ADP species, I = 0.996)
	–11.55 (d, ATP species, I = 0.99)
	–22.20 (t, ATP species, I = 0.7441)

^aThe nucleotide content in these samples was 5 mM. Refer to Figures 5, S14, and S15.

^bs = singlet, d = doublet, t = triplet, I = integration.