NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
520493 108d cing 1-original 2 MR format comment


REMARK
REMARK  H2*   4 is a pseudo atom at the geometric center of
REMARK  the thymidine residue 4 1H2' and 2H2' protons.
REMARK
REMARK  H2*  12 is a pseudo atom at the geometric center of
REMARK  the thymidine residue 12 1H2' and 2H2' protons.
REMARK
REMARK  restraints generated by using the randmardi 
REMARK  procedure of the program MARDIGRAS.  NOESY data for both upper 
REMARK  and lower sides of the diagonal for five mixing times (25 ms, 50 
REMARK  ms, 100 ms, 150 ms, 200 ms) corrected for T1 relaxation was 
REMARK  used.  Randmardi was implemented using 30 cycles for each of the 
REMARK  ten data sets where the random noise level was set to between 
REMARK  one and five times the integrated intensity of the smallest 
REMARK  cross peak in the spectrum.  The results were combined using the 
REMARK  program AVGBNDS (Liu, H., James, T.L. University of California, 
REMARK  San Francisco), and the lower and upper bounds expressed as the 
REMARK  average calculated interproton distance +/- one standard 
REMARK  deviation for that proton pair.  The upper bounds were furthur 
REMARK  modified by adding an extra 0.2 Angsroms to them.  The bounds for 
REMARK  symmetry related restraints were averaged.  The correlation time 
REMARK  used in the relaxation matrix calculations was 3.75ns.
REMARK  
REMARK
REMARK                          LOWER    UPPER
REMARK  ATOM 1      ATOM 2      BOUND    BOUND


Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Wednesday, January 24, 2018 3:33:58 AM CST (wattos1)