NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type
4660 1fh3 4853 cing 1-original MR format comment


*HEADER    TOXIN                                   31-JUL-00   1FH3              
*TITLE     NMR STRUCTURES OF LQH III ALPHA-LIKE SCORPION TOXIN FROM              
*TITLE    2 LEIURUS QUINQUESTRIATUS CORRESPONDING TO THE MAJOR                   
*TITLE    3 CONFORMER IN SOLUTION                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LQH III ALPHA-LIKE TOXIN;                                  
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: LEIURUS QUINQUESTRIATUS HEBRAEUS;               
*SOURCE   3 SECRETION: VENOM                                                     
*KEYWDS    ALPHA-LIKE TOXIN, SCORPION TOXIN, SODIUM CHANNEL INHIBITOR            
*KEYWDS   2 NON-PROLINE CIS PEPTIDE BOND, CIS-TRANS ISOMERISM                    
*EXPDTA    NMR, 42 STRUCTURES                                                    
*AUTHOR    I.KRIMM, X.TRIVELLI, J.M.LANCELIN                                     
*REVDAT   1   23-AUG-00 1FH3    0                                                
remarks   NOE restraints for LqhIII
remarks   data from noesy spectrum 150 ms mixing time at 311 K
remarks   r0    dlow    dhigh   for N-H
remarks   2.1   0.3     0.9     1.8 - 3.0  noe fort
remarks   2.4   0.6     1.2     1.8 - 3.6  noe moyen
remarks   2.9   1.1     2.4     1.8 - 5.3  noe faible
remarks   3.5   1.7     2.8     1.8 - 6.3  noe tres faible
remarks   r0    dlow    dhigh   for C-H
remarks   2.1   0.3     0.6     1.8 - 2.7  noe fort                            
remarks   2.4   0.6     0.9     1.8 - 3.3  noe moyen
remarks   2.9   1.1     2.1     1.8 - 5.0  noe faible
remarks   3.5   1.7     2.5     1.8 - 6.0  noe tres faible 
remarks   1.0  added for noe involving CH3 - 2.0 added for two noe involving CH3 
remarks   1.0  added for noe involving CH2
remarks   2.0  added for noe involving aromatics H 
remarks   nombre de NOE = nombre de lignes - 342



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