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| #[[Resonance Assignmet/Practical aspects|Principles and concepts]] | | #[[Resonance Assignment/Principles and concepts|Principles and concepts]] |
| #[[Resonance Assignmet/Practical aspects|Practical aspects]] | | #[[Resonance Assignmet/Practical aspects|Practical aspects]] |
| ##[[Resonance Assignment/Semi-automated protocols|Semi-automated protocols]] | | ##Semi-automated protocols |
| ###[[CARA]] | | ###[[Resonance Assignment/CARA|CARA]] |
| ####[[Spin System Identification with CARA|Spin System Identification in 2D 15N-HSQC and 3D HNNCO]]
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| ####[[Backbone Assignment with CARA|Backbone Resonance Assignment]]
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| ####[[HA and HB Assignment with CARA|Assignment of HA and HB Resonances with (4,3)D GFT HABCAB(CO)NHN]]
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| ####Side Chain Assignment
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| #####[[Aliphatic Side Chain Assignment with CARA|Aliphatic side-chain assignment]]
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| #####[[Aromatic Side Chain Assignment with CARA|Aromatic side-chain assignment]]
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| #####[[Amide Side Chain Assignment with CARA|Amide side-chain assignment]]
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| ###[[Sparky]] | | ###[[Sparky]] |
| ###[[XEASY]] | | ###[[Resonance Assignment/XEASY|XEASY]] |
| ####[[XEASY Spin system identification|Spin system identification]]
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| ####Backbone resonance assignment'''<br>'''
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| #####GFT-based spectra
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| ######[[HNCACAB/CABCA(CO)NH]]
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| #####Conventional spectra
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| ######[[HNCACB/CBCA(CO)NH]]
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| ######HNCA/HN(CO)CA
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| ######HNCO/HN(CA)CO
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| ######NOESY/TOCSY
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| ####[[XEASY Side Chain Assignment|Side chain resonance assignment]]
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| #####Aliphatic
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| ######GFT NMR spectra
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| #######[[HA and HB Assignment with GFT in XEASY|(4,3)D GFT HABCAB(CO)NHN]]
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| #######[[Side chain assignment with aliphatic (4,3)D HCCH-COSY in XEASY|(4,3)D GFT HCCH]]
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| ######Conventional spectra
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| #######HAHB(CO)NH
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| #######HCCH-COSY
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| #######HCCH-TOCSY
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| #######[[Side chain assignment with CN-NOESY in XEASY|Simultaneous NOESY]]
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| #######(H)CC-TOCSY-(CO)NH
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| #######H(CC-TOCSY-CO)NH
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| #####[[Aromatic side chain assignment with Aro-HCCH-COSY in XEASY|Aromatic]]
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| ######GFT-based spectra
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| ######Conventional spectra
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| #####Other
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| ######Trp e1 NH and d1 CH
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| ######[[Met methyl assignment with NOESY|Met e CH3 ]]
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| ######[[Amide Side Chain assignment with NOESY|Asn d2 and Gln e2 NH2]]
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| #####NOESY peak integration
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| ##Automated protocols | | ##Automated protocols |
| ###[[AutoAssign|AutoAssign]] | | ###[[AutoAssign|AutoAssign]] |
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
- Automated protocols
- AutoAssign
- AutoAssign server
- ABACUS
- PINE server
- Validation of resonance assignment
- Assignment validation suite (AVS)
- Linear analysis of chemical shift (LACS)
- Depositing chemical shifts