Resonance Assignment: Difference between revisions

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

Revision as of 18:13, 3 December 2009

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.


  1. Principles and concepts
  2. Practical aspects
    1. Semi-automated protocols
      1. CARA
      2. Sparky
      3. XEASY
    2. Automated protocols
      1. AutoAssign
      2. AutoAssign server
      3. ABACUS
      4. PINE server
    3. Validation of resonance assignment
      1. Assignment validation suite (AVS)
      2. Linear analysis of chemical shift (LACS)
    4. Depositing chemical shifts
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