NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
26847 2oed cing 1-original 3 XPLOR/CNS dipolar coupling



! RDCs in 5 media are below, the ones that are commented out are 
! affected by dynamics and were excluded from the structure calculation

! medium A

! rcds_A_CAC.dat
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi   2 and name  C   )
       ( segi GB3N and resi   2 and name  CA  )  -1.579 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi   3 and name  C   )
       ( segi GB3N and resi   3 and name  CA  )  -3.240 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi   4 and name  C   )
       ( segi GB3N and resi   4 and name  CA  )  -0.906 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi   5 and name  C   )
       ( segi GB3N and resi   5 and name  CA  )  -3.766 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi   6 and name  C   )
       ( segi GB3N and resi   6 and name  CA  )  -0.942 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi   7 and name  C   )
       ( segi GB3N and resi   7 and name  CA  )  -5.069 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi   8 and name  C   )
       ( segi GB3N and resi   8 and name  CA  )  -0.653 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi   9 and name  C   )
       ( segi GB3N and resi   9 and name  CA  )  -5.592 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  12 and name  C   )
       ( segi GB3N and resi  12 and name  CA  )   2.284 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  13 and name  C   )
       ( segi GB3N and resi  13 and name  CA  )  -2.267 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  14 and name  C   )
       ( segi GB3N and resi  14 and name  CA  )  -3.154 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  15 and name  C   )
       ( segi GB3N and resi  15 and name  CA  )  -1.073 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  16 and name  C   )
       ( segi GB3N and resi  16 and name  CA  )  -2.778 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  17 and name  C   )
       ( segi GB3N and resi  17 and name  CA  )  -1.404 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  19 and name  C   )
       ( segi GB3N and resi  19 and name  CA  )   1.123 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  21 and name  C   )
       ( segi GB3N and resi  21 and name  CA  )   3.047 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  22 and name  C   )
       ( segi GB3N and resi  22 and name  CA  )  -6.355 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  23 and name  C   )
       ( segi GB3N and resi  23 and name  CA  )   1.469 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  27 and name  C   )
       ( segi GB3N and resi  27 and name  CA  )   2.827 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  28 and name  C   )
       ( segi GB3N and resi  28 and name  CA  )   3.352 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  29 and name  C   )
       ( segi GB3N and resi  29 and name  CA  )  -5.988 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  30 and name  C   )
       ( segi GB3N and resi  30 and name  CA  )  -1.041 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  31 and name  C   )
       ( segi GB3N and resi  31 and name  CA  )   3.967 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  32 and name  C   )
       ( segi GB3N and resi  32 and name  CA  )  -0.380 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  33 and name  C   )
       ( segi GB3N and resi  33 and name  CA  )  -6.058 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  34 and name  C   )
       ( segi GB3N and resi  34 and name  CA  )   1.194 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  35 and name  C   )
       ( segi GB3N and resi  35 and name  CA  )   3.851 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  36 and name  C   )
       ( segi GB3N and resi  36 and name  CA  )  -3.454 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  37 and name  C   )
       ( segi GB3N and resi  37 and name  CA  )  -3.213 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  38 and name  C   )
       ( segi GB3N and resi  38 and name  CA  )   3.026 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  42 and name  C   )
       ( segi GB3N and resi  42 and name  CA  )  -1.931 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  43 and name  C   )
       ( segi GB3N and resi  43 and name  CA  )   3.132 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  44 and name  C   )
       ( segi GB3N and resi  44 and name  CA  )  -2.915 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  45 and name  C   )
       ( segi GB3N and resi  45 and name  CA  )   2.879 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  47 and name  C   )
       ( segi GB3N and resi  47 and name  CA  )   2.031 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  48 and name  C   )
       ( segi GB3N and resi  48 and name  CA  )   4.071 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  49 and name  C   )
       ( segi GB3N and resi  49 and name  CA  )   2.542 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  50 and name  C   )
       ( segi GB3N and resi  50 and name  CA  )  -1.149 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  51 and name  C   )
       ( segi GB3N and resi  51 and name  CA  )   1.065 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  52 and name  C   )
       ( segi GB3N and resi  52 and name  CA  )  -4.706 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  53 and name  C   )
       ( segi GB3N and resi  53 and name  CA  )   1.505 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  54 and name  C   )
       ( segi GB3N and resi  54 and name  CA  )  -5.869 0.20 0.20
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  55 and name  C   )
       ( segi GB3N and resi  55 and name  CA  )  -0.263 0.20 0.20
 
{
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  10 and name  C   )
       ( segi GB3N and resi  10 and name  CA  )   3.795 0.20 0.20 1
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  11 and name  C   )
       ( segi GB3N and resi  11 and name  CA  )  -2.830 0.20 0.20 1
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  24 and name  C   )
       ( segi GB3N and resi  24 and name  CA  )   3.502 0.20 0.20 1
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  25 and name  C   )
       ( segi GB3N and resi  25 and name  CA  )  -2.526 0.20 0.20 1
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  26 and name  C   )
       ( segi GB3N and resi  26 and name  CA  )  -2.976 0.20 0.20 1
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  39 and name  C   )
       ( segi GB3N and resi  39 and name  CA  )   1.869 0.20 0.20 1
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  40 and name  C   )
       ( segi GB3N and resi  40 and name  CA  )   1.813 0.20 0.20 1
  
assign (               resi 501 and name  OO  )
       (               resi 501 and name  Z   )
       (               resi 501 and name  X   )
       (               resi 501 and name  Y   )
       ( segi GB3N and resi  41 and name  C   )
       ( segi GB3N and resi  41 and name  CA  )   0.338 0.20 0.20 1
}



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

Contact the webmaster for help, if required. Sunday, May 12, 2024 5:15:12 AM GMT (wattos1)