Thesis Title: Subtitle - NMR Spectroscopy Research Group

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56 Chapter 2. Possum: paramagnetically orchestrated spectral solver of unassigned methyls. Williams NK, Prosselkov P, Liepinsh E, Line I, Sharipo A, Littler DR, Curmi PMG, Otting G and Dixon NE (2002) In vivo protein cyclization promoted by a circularly permuted Synechocystis sp. PCC6803 DnaB mini-intein. J Biol Chem 277:7790-7798 Wöhnert J, Franz KJ, Nitz M, Imperiali B and Schwalbe H (2003) Protein alignment by a coexpressed lanthanide-binding tag for the measurement of residual dipolar couplings. J Am Chem Soc 125:13338-13339 Wu PSC, Ozawa K, Lim SP, Vasudevan SG, Dixon NE and Otting G (2007) Cell-free transcription/translation from PCR-amplified DNA for high-throughput NMR studies. Angew Chem, Int Ed 46:3356-3358 Zuiderweg ERP, Boelens R and Kaptein R (1985) Stereospecific assignments of 1 H-NMR methyl lines and conformation of valyl residues in the lac repressor headpiece. Biopolymers 24:601-611 Zwahlen C, Gardner KH, Sarma SP, Horita DA, Byrd RA and Kay LE (1998) An NMR experiment for measuring methyl-methyl NOEs in 13 C-labeled proteins with high resolution. J Am Chem Soc 120:7617-7625 2.9 Supporting information Figure S2.1 Pulse scheme of the 2D (H)C(C)H-TOCSY experiment used in this study. Parameters are as for the pulse schemes of Figure 2.1. Efficient magnetization transfer between the methyl groups of isopropyl groups was obtained by applying DIPSI3 mixing for 12 ms with a radiofrequency amplitude of 8.6 kHz. The Bruker pulse programs of this pulse sequence and of the pulse sequences of Figure 2.1 can be downloaded from http://rsc.anu.edu.au/~go/.
2.9 Supporting information. 57 Figure S2.2 Assigned constant-time (28 ms) 13 C-HSQC spectrum of the cz- 186/ /La 3+ complex ( 13 C/ 15 N labeled cz- 186) at pH 7.2 and 25 o C. Only the region containing the methyl cross-peaks is shown. Cross-peaks from methyl groups of Val, Leu, Ile, Ala and Thr appear as positive peaks (blue), whereas cross-peaks from Met CH3 and all CH2 groups appear as negative peaks (red).
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Computational study of proteins wit
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iii Schmitz C, Stanton-Cook MJ, Su
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v Acknowledgements I would like to
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vii Keywords paramagnetic nmr, pseu
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ix 2.3.3 Manual resonance assignmen
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xi List of Figures Figure 1.1 NMR e
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xiii
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xv List of Abbreviations α Subunit
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2 Chapter 1. Introduction. The scal
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4 Chapter 1. Introduction. In contr
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Chapter 5 Conclusion and perspectiv
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5.1 The use of PCS for structure de
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5.3 The use of PCS for protein dock
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