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. Author manuscript; available in PMC: 2009 Oct 1.

Published in final edited form as: Nat Struct Mol Biol. 2009 Mar 8;16(4):380–389. doi: 10.1038/nsmb.1570

Proton NMR analysis of htt^NT. (A) Summary of NOE and secondary ¹H chemical shift (Δδ H^α) data observed for htt^NT at 800 MHz, 5 °C in 10 mM phosphate buffer, pH 7.2. The relative intensities of the inter-proton NOEs d_αN(i,i), d_αN(i,i+1), d_NN(i,i+1), d_NN(i,i) and d_αN(i,i+2) are depicted by the thickness of the lines. The H^α secondary chemical shift values of htt^NT (Δδ H^α) were calculated by subtracting random coil values ⁵⁴ from the H^α chemical shifts of htt^NT; (B) 2D proton TOCSY and NOESY NMR spectra. Superposition of the H^α-H^N (top) and H^N-H^N (bottom) regions of the TOCSY (black) and NOESY (red) spectra illustrate sequential d_αN(i,i+1) and d_NN(i,i+1) connectivities. The intra-residue H^α(i)-H^N(i) cross-peaks are labeled with residue name and number and sequential H^α(i)-H^N(i+1) and H^N(i)-H^N(i+1) NOE cross-peaks are connected for consecutive residues. The only observed, very small non-sequential H^α(i)-H^N(i+2) NOE cross-peak connecting Thr3 H^α and Glu5 HN protons is marked with a red circle and labeled in red in the top panel.

Proton NMR analysis of htt^NT. (A) Summary of NOE and secondary ¹H chemical shift (Δδ H^α) data observed for htt^NT at 800 MHz, 5 °C in 10 mM phosphate buffer, pH 7.2. The relative intensities of the inter-proton NOEs d_αN(i,i), d_αN(i,i+1), d_NN(i,i+1), d_NN(i,i) and d_αN(i,i+2) are depicted by the thickness of the lines. The H^α secondary chemical shift values of htt^NT (Δδ H^α) were calculated by subtracting random coil values ⁵⁴ from the H^α chemical shifts of htt^NT; (B) 2D proton TOCSY and NOESY NMR spectra. Superposition of the H^α-H^N (top) and H^N-H^N (bottom) regions of the TOCSY (black) and NOESY (red) spectra illustrate sequential d_αN(i,i+1) and d_NN(i,i+1) connectivities. The intra-residue H^α(i)-H^N(i) cross-peaks are labeled with residue name and number and sequential H^α(i)-H^N(i+1) and H^N(i)-H^N(i+1) NOE cross-peaks are connected for consecutive residues. The only observed, very small non-sequential H^α(i)-H^N(i+2) NOE cross-peak connecting Thr3 H^α and Glu5 HN protons is marked with a red circle and labeled in red in the top panel.