Resonance Assignment
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Resonance Assignment
This chapter focuses on data analysis and resonance assignment packages, as most people stick to a particular software for entire structure determination projects.
- Principles and concepts
- Practical aspects
- Semi-automated protocols
- CARA
- Sparky
- XEASY
- Spin system identification
- Backbone resonance assignment
- GFT-based spectra
- Conventional spectra
- HNCACB/CBCA(CO)NH
- HNCA/HN(CO)CA
- HNCO/HN(CA)CO
- NOESY/TOCSY
- Side chain resonance assignment
- Aliphatic
- GFT NMR spectra
- Conventional spectra
- HAHB(CO)NH
- HCCH-COSY
- HCCH-TOCSY
- Simultaneous NOESY
- (H)CC-TOCSY-(CO)NH
- H(CC-TOCSY-CO)NH
- Aromatic
- GFT-based spectra
- Conventional spectra
- Other
- Trp e1 NH and d1 CH
- Met e CH3
- Asn d2 and Gln e2 NH2
- NOESY peak integration
- Aliphatic
- Automated protocols
- Validation of resonance assignment
- Depositing chemical shifts
- Semi-automated protocols