NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
25814 2kcc cing 1-original 3 XPLOR/CNS coupling constant


!! input file is "coupling_cnt_bccp.txt"

assign ( resid   3 and name c  ) ( resid   4 and name n  )
       ( resid   4 and name ca ) ( resid   4 and name c  )   7.05   0.50    ! D   4

assign ( resid   5 and name c  ) ( resid   6 and name n  )
       ( resid   6 and name ca ) ( resid   6 and name c  )   7.94   0.75    ! T   6

assign ( resid   6 and name c  ) ( resid   7 and name n  )
       ( resid   7 and name ca ) ( resid   7 and name c  )   8.41   0.50    ! V   7

assign ( resid   7 and name c  ) ( resid   8 and name n  )
       ( resid   8 and name ca ) ( resid   8 and name c  )   7.87   0.75    ! L   8

assign ( resid   8 and name c  ) ( resid   9 and name n  )
       ( resid   9 and name ca ) ( resid   9 and name c  )   7.94   0.50    ! R   9

assign ( resid   9 and name c  ) ( resid  10 and name n  )
       ( resid  10 and name ca ) ( resid  10 and name c  )   5.25   0.50    ! S  10

assign ( resid  11 and name c  ) ( resid  12 and name n  )
       ( resid  12 and name ca ) ( resid  12 and name c  )   7.77   0.50    ! S  12

assign ( resid  12 and name c  ) ( resid  13 and name n  )
       ( resid  13 and name ca ) ( resid  13 and name c  )   6.30   0.50    ! A  13

assign ( resid  14 and name c  ) ( resid  15 and name n  )
       ( resid  15 and name ca ) ( resid  15 and name c  )   6.23   0.50    ! K  15

assign ( resid  15 and name c  ) ( resid  16 and name n  )
       ( resid  16 and name ca ) ( resid  16 and name c  )   5.31   0.50    ! L  16

assign ( resid  16 and name c  ) ( resid  17 and name n  )
       ( resid  17 and name ca ) ( resid  17 and name c  )   6.21   0.50    ! T  17

assign ( resid  17 and name c  ) ( resid  18 and name n  )
       ( resid  18 and name ca ) ( resid  18 and name c  )   5.99   0.50    ! Q  18

assign ( resid  18 and name c  ) ( resid  19 and name n  )
       ( resid  19 and name ca ) ( resid  19 and name c  )   7.91   0.75    ! Y  19

assign ( resid  19 and name c  ) ( resid  20 and name n  )
       ( resid  20 and name ca ) ( resid  20 and name c  )   8.62   0.50    ! T  20

assign ( resid  20 and name c  ) ( resid  21 and name n  )
       ( resid  21 and name ca ) ( resid  21 and name c  )   8.03   0.50    ! V  21

assign ( resid  21 and name c  ) ( resid  22 and name n  )
       ( resid  22 and name ca ) ( resid  22 and name c  )   5.20   0.50    ! E  22

assign ( resid  22 and name c  ) ( resid  23 and name n  )
       ( resid  23 and name ca ) ( resid  23 and name c  )   4.07   0.50    ! D  23

assign ( resid  25 and name c  ) ( resid  26 and name n  )
       ( resid  26 and name ca ) ( resid  26 and name c  )   4.40   0.50    ! H  26

assign ( resid  26 and name c  ) ( resid  27 and name n  )
       ( resid  27 and name ca ) ( resid  27 and name c  )   8.67   0.50    ! V  27

assign ( resid  27 and name c  ) ( resid  28 and name n  )
       ( resid  28 and name ca ) ( resid  28 and name c  )   7.38   0.50    ! E  28

assign ( resid  28 and name c  ) ( resid  29 and name n  )
       ( resid  29 and name ca ) ( resid  29 and name c  )   2.38   0.50    ! A  29

assign ( resid  30 and name c  ) ( resid  31 and name n  )
       ( resid  31 and name ca ) ( resid  31 and name c  )   5.77   0.50    ! S  31

assign ( resid  31 and name c  ) ( resid  32 and name n  )
       ( resid  32 and name ca ) ( resid  32 and name c  )   5.08   0.50    ! S  32

assign ( resid  32 and name c  ) ( resid  33 and name n  )
       ( resid  33 and name ca ) ( resid  33 and name c  )   9.72   0.50    ! Y  33

assign ( resid  33 and name c  ) ( resid  34 and name n  )
       ( resid  34 and name ca ) ( resid  34 and name c  )   5.02   0.50    ! A  34

assign ( resid  34 and name c  ) ( resid  35 and name n  )
       ( resid  35 and name ca ) ( resid  35 and name c  )   8.43   0.50    ! E  35

assign ( resid  35 and name c  ) ( resid  36 and name n  )
       ( resid  36 and name ca ) ( resid  36 and name c  )   7.92   0.50    ! M  36

assign ( resid  36 and name c  ) ( resid  37 and name n  )
       ( resid  37 and name ca ) ( resid  37 and name c  )   8.17   0.50    ! E  37

assign ( resid  37 and name c  ) ( resid  38 and name n  )
       ( resid  38 and name ca ) ( resid  38 and name c  )   8.44   0.50    ! V  38

assign ( resid  38 and name c  ) ( resid  39 and name n  )
       ( resid  39 and name ca ) ( resid  39 and name c  )   4.18   0.50    ! M  39

assign ( resid  39 and name c  ) ( resid  40 and name n  )
       ( resid  40 and name ca ) ( resid  40 and name c  )   6.48   0.50    ! K  40

assign ( resid  40 and name c  ) ( resid  41 and name n  )
       ( resid  41 and name ca ) ( resid  41 and name c  )   8.14   0.50    ! M  41

assign ( resid  41 and name c  ) ( resid  42 and name n  )
       ( resid  42 and name ca ) ( resid  42 and name c  )   7.18   0.50    ! I  42

assign ( resid  42 and name c  ) ( resid  43 and name n  )
       ( resid  43 and name ca ) ( resid  43 and name c  )   8.62   0.50    ! M  43

assign ( resid  43 and name c  ) ( resid  44 and name n  )
       ( resid  44 and name ca ) ( resid  44 and name c  )  11.86   0.75    ! T  44

assign ( resid  44 and name c  ) ( resid  45 and name n  )
       ( resid  45 and name ca ) ( resid  45 and name c  )   8.43   0.50    ! L  45

assign ( resid  45 and name c  ) ( resid  46 and name n  )
       ( resid  46 and name ca ) ( resid  46 and name c  )   9.68   0.50    ! N  46

assign ( resid  46 and name c  ) ( resid  47 and name n  )
       ( resid  47 and name ca ) ( resid  47 and name c  )   8.58   0.50    ! V  47

assign ( resid  47 and name c  ) ( resid  48 and name n  )
       ( resid  48 and name ca ) ( resid  48 and name c  )   7.57   0.50    ! Q  48

assign ( resid  48 and name c  ) ( resid  49 and name n  )
       ( resid  49 and name ca ) ( resid  49 and name c  )   7.54   0.50    ! E  49

assign ( resid  49 and name c  ) ( resid  50 and name n  )
       ( resid  50 and name ca ) ( resid  50 and name c  )   5.26   0.50    ! R  50

assign ( resid  51 and name c  ) ( resid  52 and name n  )
       ( resid  52 and name ca ) ( resid  52 and name c  )   8.70   0.50    ! R  52

assign ( resid  52 and name c  ) ( resid  53 and name n  )
       ( resid  53 and name ca ) ( resid  53 and name c  )   7.14   0.50    ! V  53

assign ( resid  53 and name c  ) ( resid  54 and name n  )
       ( resid  54 and name ca ) ( resid  54 and name c  )  10.72   0.50    ! K  54

assign ( resid  54 and name c  ) ( resid  55 and name n  )
       ( resid  55 and name ca ) ( resid  55 and name c  )   3.68   0.50    ! Y  55

assign ( resid  55 and name c  ) ( resid  56 and name n  )
       ( resid  56 and name ca ) ( resid  56 and name c  )   9.64   0.50    ! I  56

assign ( resid  56 and name c  ) ( resid  57 and name n  )
       ( resid  57 and name ca ) ( resid  57 and name c  )   5.67   0.50    ! K  57

assign ( resid  57 and name c  ) ( resid  58 and name n  )
       ( resid  58 and name ca ) ( resid  58 and name c  )   8.44   0.50    ! R  58

assign ( resid  60 and name c  ) ( resid  61 and name n  )
       ( resid  61 and name ca ) ( resid  61 and name c  )   3.48   0.50    ! A  61

assign ( resid  61 and name c  ) ( resid  62 and name n  )
       ( resid  62 and name ca ) ( resid  62 and name c  )   6.61   0.50    ! V  62

assign ( resid  62 and name c  ) ( resid  63 and name n  )
       ( resid  63 and name ca ) ( resid  63 and name c  )   7.33   0.50    ! L  63

assign ( resid  64 and name c  ) ( resid  65 and name n  )
       ( resid  65 and name ca ) ( resid  65 and name c  )   4.36   0.50    ! A  65

assign ( resid  66 and name c  ) ( resid  67 and name n  )
       ( resid  67 and name ca ) ( resid  67 and name c  )   4.81   0.50    ! C  67

assign ( resid  67 and name c  ) ( resid  68 and name n  )
       ( resid  68 and name ca ) ( resid  68 and name c  )   7.08   0.50    ! V  68

assign ( resid  68 and name c  ) ( resid  69 and name n  )
       ( resid  69 and name ca ) ( resid  69 and name c  )   7.13   0.75    ! V  69

assign ( resid  69 and name c  ) ( resid  70 and name n  )
       ( resid  70 and name ca ) ( resid  70 and name c  )   5.95   0.75    ! A  70

assign ( resid  70 and name c  ) ( resid  71 and name n  )
       ( resid  71 and name ca ) ( resid  71 and name c  )   8.88   0.50    ! R  71

assign ( resid  71 and name c  ) ( resid  72 and name n  )
       ( resid  72 and name ca ) ( resid  72 and name c  )   8.76   0.50    ! L  72

assign ( resid  72 and name c  ) ( resid  73 and name n  )
       ( resid  73 and name ca ) ( resid  73 and name c  )   7.85   0.50    ! E  73

assign ( resid  73 and name c  ) ( resid  74 and name n  )
       ( resid  74 and name ca ) ( resid  74 and name c  )   4.54   0.50    ! L  74

assign ( resid  74 and name c  ) ( resid  75 and name n  )
       ( resid  75 and name ca ) ( resid  75 and name c  )   5.87   0.50    ! D  75

assign ( resid  75 and name c  ) ( resid  76 and name n  )
       ( resid  76 and name ca ) ( resid  76 and name c  )   6.53   0.50    ! D  76

assign ( resid  76 and name c  ) ( resid  77 and name n  )
       ( resid  77 and name ca ) ( resid  77 and name c  )   7.65   0.50    ! L  77

assign ( resid  77 and name c  ) ( resid  78 and name n  )
       ( resid  78 and name ca ) ( resid  78 and name c  )   6.04   0.50    ! E  78





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