Thesis Title: Subtitle - NMR Spectroscopy Research Group

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66 Chapter 2. Possum: paramagnetically orchestrated spectral solver of unassigned methyls. V82 1 17.7 20.81 0.82 20.09 0.08 V82 2 16.6 20.37 0.72 19.79 0.10 V96 1 13.3 19.60 0.23 21.73 19.08 -0.32 V96 2 15.0 19.04 0.29 19.83 1.04 18.87 0.13 V127 1 15.8 21.62 0.78 19.64 -1.32 21.84 1.05 V127 2 17.2 20.59 0.72 19.02 -0.93 20.89 0.95 V133 1 17.9 21.22 0.97 22.43 2.24 20.92 0.67 V133 2 18.4 21.99 1.16 22.69 1.76 21.77 0.95 V174 1 13.3 22.88 0.95 31.40 21.37 -0.49 V174 2 12.5 24.96 0.97 35.55 23.21 -0.83 Leucine L11 1 11.1 27.14 1.00 18.89 28.30 2.40 L11 2 9.2 26.90 0.99 18.65 28.30 2.39 L43 1 16.1 25.49 0.96 27.78 3.35 25.24 0.69 L43 2 15.6 25.52 0.94 27.63 3.15 25.26 0.72 L52 1 13.6 26.18 0.65 25.88 0.34 L52 2 15.0 24.99 0.56 25.93 24.81 0.39 L57 1 21.4 25.94 0.72 28.07 2.74 25.61 0.39 L57 2 20.4 21.82 0.85 24.23 3.21 21.40 0.44 L73 1 13.8 25.49 0.96 24.36 -0.30 L73 2 13.4 21.30 0.97 25.98 20.34 -0.02 L74 1 22.4 26.03 0.99 27.27 2.17 25.78 0.75 L74 2 21.8 22.44 0.85 23.95 2.39 22.12 0.55 L95 1 15.2 25.21 0.75 22.60 25.64 1.20 L95 2 14.6 23.20 0.78 20.84 -1.73 23.72 1.21 L113 1 20.2 24.42 0.34 25.63 1.59 24.22 0.15 L113 2 22.3 21.37 0.64 22.17 1.45 21.27 0.53 L114 1 21.6 26.00 1.22 26.00 1.24 L114 2 22.0 22.35 1.01 22.33 0.95 L131 1 13.3 22.74 0.79 21.14 22.69 0.70 L131 2 12.5 25.78 0.71 21.89 26.09 1.07
L145 1 8.9 23.96 0.70 16.25 L145 2 6.5 24.01 0.62 14.34 2.9 Supporting information. 67 L148 1 13.2 26.21 0.92 31.96 25.03 -0.32 L148 2 15.4 23.33 1.14 27.21 22.59 0.42 L161 1 11.3 24.89 0.72 23.66 25.39 1.18 L161 2 10.6 21.78 0.83 19.26 22.39 1.42 L165 1 10.1 24.05 0.89 17.02 25.60 2.34 L165 2 11.0 26.53 1.03 19.74 27.83 2.26 L166 1 8.8 22.89 0.74 L166 2 7.7 24.99 0.86 26.66 L171 1 10.1 21.06 0.82 36.23 18.23 -2.00 L171 2 8.9 26.65 0.99 23.97 L176 1 17.6 24.89 0.72 27.48 3.25 24.51 0.36 L176 2 18.5 21.98 0.70 24.08 2.64 21.66 0.40 Isoleucine I5 2 17.94 0.95 17.86 0.87 17.96 0.97 I5 1 12.76 0.82 12.66 0.71 I9 2 13.9 18.78 0.77 16.02 19.39 1.35 I9 1 16.6 10.64 0.31 9.09 -1.20 11.00 0.64 I21 2 23.8 17.24 0.85 17.29 0.91 17.24 0.87 I21 1 24.3 12.79 0.85 12.86 0.93 I30 2 10.4 17.96 0.82 23.37 17.09 -0.06 I30 1 12.0 13.35 0.64 15.00 13.15 0.55 I31 2 11.9 18.45 0.75 28.85 16.71 -0.92 I31 1 9.8 14.65 0.34 33.74 11.31 -2.95 I33 2 10.6 17.24 0.71 8.89 18.77 2.26 I33 1 12.2 12.24 0.08 9.89 12.65 0.45 I68 2 11.4 19.25 0.79 28.19 17.44 -0.91 I68 1 8.4 13.87 0.56 9.07 I90 2 15.6 18.42 0.41 15.93 -2.28 18.93 0.92 I90 1 16.7 12.90 0.53 10.88 -1.52
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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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6 Chapter 1. Introduction. as the c
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8 Chapter 1. Introduction. Figure 1
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10 Chapter 1. Introduction. Protein
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12 Chapter 1. Introduction. 1.3 Com
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14 Chapter 1. Introduction. Figure
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Page 36 and 37: 20 Chapter 1. Introduction. The det
Page 38 and 39: 22 Chapter 1. Introduction. (ii) It
Page 40 and 41: 24 Chapter 1. Introduction. Chapter
Page 42 and 43: 26 Chapter 1. Introduction. Su XC,
Page 44 and 45: 28 Chapter 2. Possum: paramagnetica
Page 91 and 92: Chapter 3 Numbat: new user-friendly
Page 93 and 94: 3.4 Introduction 3.4 Introduction.
Page 95 and 96: 3.5 Algorithm. 79 rhombic component
Page 97 and 98: 3.6 Program Features. 81 each fitti
Page 99 and 100: 3.6 Program Features. 83 A new PCS
Page 101 and 102: 3.6 Program Features. 85 Carlo prot
Page 103 and 104: 3.7 Study case. 87 The coordinates
Page 105 and 106: 3.7 Study case. 89 illustrates how
Page 107 and 108: 3.7 Study case. 91 can be used to a
Page 109 and 110: 3.9 Acknowledgment. 93 variables, t
Page 111 and 112: 3.10 References. 95 Galassi M, Davi
Page 113 and 114: 3.11 Supporting information. 97 Zwe
Page 115: 3.11 Supporting information. 99 Tab
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116 Chapter 4. Protein Structure De
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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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5.1 The use of PCS for structure de
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5.3 The use of PCS for protein dock
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Thesis Title: Subtitle - NMR Spectroscopy Research Group

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