NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
17814 2d3j cing 1-original 4 DYANA/DIANA coupling constant



#coupling constants for wif 
#J(AN) and J(AB) using ift
#J(Ab2) and J(ab3) estimates
   
   9 GLU- HN   HA    7.0  2.0
   9 GLU- HA   HB3   4.0  3.0
   9 GLU- HA   HB2  11.0  3.0
   9 GLU- N    HB2  -1.5  1.5
   9 GLU- N    HB3  -4.5  1.5
  10 GLU- HN   HA    7.4  2.0
  10 GLU- HA   HB2  11.0  3.0
  10 GLU- HA   HB3   4.0  3.0
  10 GLU- N    HB2  -1.5  1.5
  10 GLU- N    HB3  -4.5  1.5
  11 SER  HN   HA    3.5  2.0
  11 SER  N    HB3  -1.5  1.5
  11 SER  N    HB2  -1.5  1.5
  12 LEU  HN   HA    8.4  2.0
  12 LEU  HA   HB2   4.0  3.0
  12 LEU  HA   HB3  11.0  3.0
  13 TYR  HN   HA    8.9  2.0
  13 TYR  HA   HB2  11.0  3.0
  13 TYR  N    HB3  -4.5  1.5
  13 TYR  N    HB2  -1.5  1.5
  13 TYR  HA   HB3   4.0  3.0
  14 LEU  HN   HA    9.5  2.0
  14 LEU  HA   HB3  11.0  3.0
  14 LEU  HA   HB2   4.0  3.0
  14 LEU  N    HB2  -1.5  1.5
  14 LEU  N    HB3  -1.5  1.5
  15 TRP  HN   HA    6.3  2.0
  15 TRP  HA   HB3   4.0  3.0
  15 TRP  HA   HB2   4.0  3.0
  15 TRP  N    HB2  -4.5  1.5
  15 TRP  N    HB3  -1.5  1.5
  16 ILE  HN   HA    9.5  2.0
  16 ILE  HA   HB   11.0  3.0
  16 ILE  N    HB   -1.5  1.5
  17 ASP- HN   HA    9.5  2.0
  17 ASP- HA   HB3   4.0  3.0
  17 ASP- HA   HB2   4.0  3.0
  17 ASP- N    HB2  -4.5  1.5
  17 ASP- N    HB3  -1.5  1.5
  18 ALA  HN   HA    8.0  2.0
  19 HIS  HN   HA    4.5  2.0
  19 HIS  HA   HB3   4.0  3.0
  19 HIS  HA   HB2  11.0  3.0
  19 HIS  N    HB3  -4.5  1.5
  19 HIS  N    HB2  -1.5  1.5
  20 GLN  HN   HA    4.5  2.0
  20 GLN  HA   HB2   4.0  3.0
  20 GLN  HA   HB3  11.0  3.0
  20 GLN  N    HB3  -1.5  1.5
  20 GLN  N    HB2  -1.5  1.5
  21 ALA  HN   HA    4.9  2.0
  22 ARG+ HN   HA    4.3  2.0
  23 VAL  HN   HA    4.5  2.0
  23 VAL  HA   HB   11.0  3.0
  23 VAL  N    HB   -1.5  1.5
  24 LEU  HN   HA    6.5  2.0
  24 LEU  HA   HB2  11.0  3.0
  24 LEU  HA   HB3   4.0  3.0
  24 LEU  N    HB2  -1.5  1.5
  24 LEU  N    HB3  -4.5  1.5
  25 ILE  HN   HA    4.5  2.0
  25 ILE  HA   HB   11.0  3.0
  25 ILE  N    HB   -1.5  1.5
  27 PHE  HN   HA    3.9  2.0
  27 PHE  HA   HB3  11.0  3.0
  27 PHE  HA   HB2   4.0  3.0
  27 PHE  N    HB3  -1.5  1.5
  27 PHE  N    HB2  -1.5  1.5
  28 GLU- HN   HA    3.9  2.0
  28 GLU- HA   HB3  11.0  3.0
  28 GLU- HA   HB2   4.0  3.0
  29 GLU- HN   HA    8.9  2.0
  29 GLU- HA   HB3  11.0  3.0
  29 GLU- HA   HB2   4.0  3.0
  30 ASP- HN   HA    4.2  2.0
  30 ASP- HA   HB3   4.0  3.0
  30 ASP- HA   HB2   4.0  3.0
  30 ASP- N    HB3  -1.5  1.5
  30 ASP- N    HB2  -4.5  1.5
  31 ILE  HN   HA    9.9  2.0
  31 ILE  HA   HB   11.0  3.0
  31 ILE  N    HB   -1.5  1.5
  32 LEU  HN   HA    9.5  2.0
  32 LEU  HA   HB2   4.0  3.0
  32 LEU  HA   HB3  11.0  3.0
  32 LEU  N    HB3  -1.5  1.5
  32 LEU  N    HB2  -1.5  1.5
  33 ILE  HN   HA    9.9  2.0
  33 ILE  HA   HB   11.0  3.0
  33 ILE  N    HB   -1.5  1.5
  34 VAL  HN   HA    8.9  2.0
  34 VAL  HA   HB   11.0  3.0
  34 VAL  N    HB   -1.5  1.5
  35 SER  HN   HA    5.2  2.0
  36 GLU- HN   HA    7.2  2.0
  36 GLU- HA   HB3   4.0  3.0
  36 GLU- HA   HB2   4.0  3.0
  38 LYS+ HA   HN    6.5  2.0
  39 MET  HN   HA    5.0  2.0
  40 ALA  HN   HA    5.0  2.0
  42 PHE  HN   HA    5.0  2.0
  42 PHE  HA   HB3  11.0  3.0
  42 PHE  HA   HB2   4.0  3.0
  43 THR  HN   HA    4.0  2.0
  44 HIS  HN   HA    4.0  2.0
  45 ASP- HN   HA    4.0  2.0
  46 PHE  HA   HB2   4.0  3.0
  46 PHE  HA   HB3   4.0  3.0
  47 ARG+ HN   HA    4.6  2.0
  48 LYS+ HN   HA    4.7  2.0
  48 LYS+ HA   HB2   4.0  3.0
  48 LYS+ HA   HB3  11.0  3.0
  48 LYS+ N    HB3  -1.5  1.5
  48 LYS+ N    HB2  -1.5  1.5
  49 ALA  HN   HA    4.6  2.0
  50 GLN  HN   HA    4.5  2.0
  50 GLN  HA   HB2   4.0  3.0
  50 GLN  HA   HB3  11.0  3.0
  50 GLN  N    HB2  -4.5  1.5
  50 GLN  N    HB3  -1.5  1.5
  51 GLN  HN   HA    4.5  2.0
  51 GLN  N    HB3  -1.5  1.5
  51 GLN  N    HB2  -1.5  1.5
  55 ALA  HN   HA    7.6  2.0
  56 ILE  HN   HA    9.0  2.0
  56 ILE  HA   HB   11.0  3.0
  56 ILE  N    HB   -1.5  1.5
  58 VAL  HN   HA    8.5  2.0
  58 VAL  HA   HB    4.0  3.0
  58 VAL  N    HB   -1.5  1.5
  59 ASN  HN   HA    4.5  2.0
  59 ASN  HA   HB3  11.0  3.0
  59 ASN  HA   HB2   4.0  3.0
  59 ASN  N    HB3  -1.5  1.5
  59 ASN  N    HB2  -1.5  1.5
  60 ILE  HN   HA    5.0  2.0
  60 ILE  HA   HB   11.0  3.0
  60 ILE  N    HB   -1.5  1.5
  61 HIS  HN   HA    4.8  2.0
  61 HIS  HA   HB2   4.0  3.0
  61 HIS  HA   HB3  11.0  3.0
  61 HIS  N    HB2  -1.5  1.5
  61 HIS  N    HB3  -1.5  1.5
  62 SER  HN   HA    5.8  2.0
  63 MET  HN   HA    8.8  2.0
  63 MET  HA   HB3   4.0  3.0
  63 MET  HA   HB2  11.0  3.0
  63 MET  N    HB3  -4.5  1.5
  63 MET  N    HB2  -1.5  1.5
  64 ASN  HN   HA    9.3  2.0
  64 ASN  HA   HB2  11.0  3.0
  64 ASN  HA   HB3   4.0  3.0
  64 ASN  N    HB2  -1.5  1.5
  64 ASN  N    HB3  -4.5  1.5
  65 PHE  HN   HA    9.6  2.0
  65 PHE  HA   HB3   4.0  3.0
  65 PHE  HA   HB2  11.0  3.0
  65 PHE  N    HB2  -1.5  1.5
  65 PHE  N    HB3  -1.5  1.5
  66 THR  HN   HA    8.0  2.0
  66 THR  HA   HB   11.0  3.0
  66 THR  N    HB   -1.5  1.5
  67 TRP  HN   HA    9.0  2.0
  67 TRP  HA   HB2   4.0  3.0
  67 TRP  HA   HB3   4.0  3.0
  68 GLN  HN   HA    9.3  2.0
  68 GLN  HA   HB2   4.0  3.0
  68 GLN  HA   HB3   4.0  3.0
  68 GLN  N    HB3  -1.5  1.5
  68 GLN  N    HB2  -4.5  1.5
  69 ALA  HN   HA    9.5  2.0
  70 ALA  HN   HA    8.0  2.0
  72 GLN  HN   HA    6.3  2.0
  72 GLN  HA   HB3   4.0  3.0
  72 GLN  HA   HB2  11.0  3.0
  72 GLN  N    HB3  -4.5  1.5
  72 GLN  N    HB2  -1.5  1.5
  73 ALA  HN   HA    5.0  2.0
  74 GLU- HN   HA    8.7  2.0
  74 GLU- HA   HB2  11.0  3.0
  74 GLU- HA   HB3   4.0  3.0
  74 GLU- N    HB3  -4.5  1.5
  74 GLU- N    HB2  -1.5  1.5
  75 TYR  HN   HA    8.8  2.0
  75 TYR  HA   HB2   4.0  3.0
  75 TYR  HA   HB3   4.0  3.0 
  76 PHE  HN   HA    9.5  3.0
  76 PHE  HA   HB2   4.0  3.0
  76 PHE  HA   HB3  11.0  3.0
  76 PHE  N    HB3  -1.5  1.5
  76 PHE  N    HB2  -1.5  1.5
  77 TYR  HN   HA    8.7  2.0
  77 TYR  HA   HB3   4.0  3.0
  77 TYR  HA   HB2   4.0  3.0
  77 TYR  N    HB3  -1.5  1.5
  77 TYR  N    HB2  -4.5  1.5
  78 GLU- HN   HA    8.8  2.0
  78 GLU- HA   HB2   4.0  3.0
  78 GLU- HA   HB3  11.0  3.0
  78 GLU- N    HB2  -1.5  1.5
  78 GLU- N    HB3  -1.5  1.5
  79 PHE  HN   HA    8.7  2.0
  79 PHE  HA   HB2  11.0  3.0
  79 PHE  HA   HB3   4.0  3.0
  79 PHE  N    HB2  -1.5  1.5
  79 PHE  N    HB3  -4.5  1.5
  80 LEU  HN   HA    6.5  2.0
  80 LEU  HA   HB3  11.0  3.0
  80 LEU  HA   HB2   4.0  3.0
  81 SER  HN   HA    5.0  3.0
  82 LEU  HN   HA    8.5  2.0
  82 LEU  HA   HB3  11.0  3.0
  82 LEU  HA   HB2   4.0  3.0
  83 ARG+ HN   HA    9.0  2.0
  83 ARG+ HA   HB2  11.0  3.0
  83 ARG+ HA   HB3   4.0  3.0
  84 SER  HN   HA    9.4  2.0
  85 LEU  HN   HA    8.4  2.0
  85 LEU  HA   HB3   4.0  3.0
  85 LEU  HA   HB2  11.0  3.0
  85 LEU  N    HB2  -1.5  1.5
  85 LEU  N    HB3  -4.5  1.5
  86 ASP- HN   HA    5.2  2.0
  86 ASP- HA   HB3  11.0  3.0
  86 ASP- HA   HB2   4.0  3.0
  86 ASP- N    HB3  -1.5  1.5
  86 ASP- N    HB2  -1.5  1.5
  87 LYS+ HN   HA    7.4  2.0
  87 LYS+ HA   HB3   4.0  3.0
  87 LYS+ HA   HB2  11.0  3.0
  87 LYS+ N    HB2  -1.5  1.5
  87 LYS+ N    HB3  -4.5  1.5
  89 ILE  HN   HA    4.5  2.0
  89 ILE  HA   HB   11.0  3.0
  89 ILE  N    HB   -1.5  1.5
  90 MET  HN   HA    4.2  2.0
  90 MET  HA   HB2   4.0  3.0
  90 MET  HA   HB3  11.0  3.0
  90 MET  N    HB3  -1.5  1.5
  90 MET  N    HB2  -1.5  1.5
  91 ALA  HN   HA    7.2  2.0
  92 ASP- HN   HA    6.2  2.0
  92 ASP- HA   HB3   4.0  3.0
  92 ASP- HA   HB2  11.0  3.0
  92 ASP- N    HB3  -4.5  1.5
  92 ASP- N    HB2  -1.5  1.5
  94 THR  HN   HA    9.0  2.0
  94 THR  HA   HB    4.0  3.0
  94 THR  N    HB   -4.5  1.5
  95 VAL  HN   HA    9.0  2.0
  95 VAL  HA   HB    4.0  3.0
  95 VAL  N    HB   -4.5  1.5
  96 ASN  HN   HA    3.9  2.0
  96 ASN  HA   HB2   4.0  3.0
  96 ASN  HA   HB3  11.0  3.0
  96 ASN  N    HB2  -1.5  1.5
  96 ASN  N    HB3  -1.5  1.5
  97 VAL  HN   HA    9.0  2.0
  97 VAL  HA   HB    4.0  3.0
  97 VAL  N    HB   -4.5  1.5
  99 LEU  HN   HA    9.3  2.0
  99 LEU  N    HB3  -4.5  1.5
  99 LEU  N    HB2  -1.5  1.5
 100 LEU  HN   HA    9.0  2.0
 100 LEU  HA   HB2   4.0  3.0
 100 LEU  HA   HB3   4.0  3.0
 100 LEU  N    HB2  -4.5  1.5
 100 LEU  N    HB3  -1.5  1.5
 102 THR  HN   HA    9.0  2.0
 102 THR  HA   HB    4.0  3.0
 102 THR  N    HB   -4.5  1.5
 103 VAL  HN   HA    9.0  2.0
 103 VAL  HA   HB   11.0  3.0
 103 VAL  N    HB   -1.5  1.5
 105 HIS  HN   HA    7.2  2.0
 105 HIS  HA   HB2  11.0  3.0
 105 HIS  HA   HB3   4.0  3.0
 105 HIS  N    HB3  -4.5  1.5
 105 HIS  N    HB2  -1.5  1.5
 106 LYS+ HN   HA    4.5  2.0
 106 LYS+ HA   HB2  11.0  3.0
 106 LYS+ HA   HB3   4.0  3.0
 106 LYS+ N    HB3  -4.5  1.5
 106 LYS+ N    HB2  -1.5  1.5
 107 ALA  HN   HA    8.5  2.0
 108 SER  HN   HA    8.8  2.0
 108 SER  HA   HB3   4.0  3.0
 108 SER  HA   HB2  11.0  3.0
 108 SER  N    HB3  -4.5  1.5
 108 SER  N    HB2  -1.5  1.5
 109 VAL  HN   HA    8.5  2.0
 109 VAL  HA   HB   11.0  3.0
 109 VAL  N    HB   -1.5  1.5
 110 VAL  HN   HA   10.0  2.0
 110 VAL  HA   HB   11.0  3.0
 110 VAL  N    HB   -1.5  1.5
 111 GLN  HN   HA    9.8  2.0
 111 GLN  N    HB2  -1.5  1.5
 111 GLN  N    HB3  -1.5  1.5
 112 VAL  HN   HA   10.0  2.0
 112 VAL  HA   HB   11.0  3.0
 112 VAL  N    HB   -1.5  1.5
 116 CYSS HN   HA    8.0  2.0
 116 CYSS HA   HB2   4.0  3.0
 116 CYSS HA   HB3  11.0  3.0
 116 CYSS N    HB3  -1.5  1.5
 116 CYSS N    HB2  -1.5  1.5
 117 LEU  HN   HA    4.0  2.0
 119 LYS+ HN   HA    4.5  2.0
 119 LYS+ HA   HB2  11.0  3.0
 119 LYS+ HA   HB3   4.0  3.0
 119 LYS+ N    HB2  -1.5  1.5
 119 LYS+ N    HB3  -4.5  1.5
 120 GLN  HN   HA    4.9  2.0
 121 ASP- HN   HA    7.4  2.0
 121 ASP- HA   HB2  11.0  3.0
 121 ASP- HA   HB3   4.0  3.0
 121 ASP- N    HB3  -4.5  1.5
 121 ASP- N    HB2  -1.5  1.5
 123 VAL  HN   HA    8.0  2.0
 123 VAL  HA   HB   11.0  3.0
 123 VAL  N    HB   -1.5  1.5
 124 ALA  HN   HA    9.5  2.0
 125 ALA  HN   HA    9.5  2.0
 126 PHE  HN   HA    8.5  2.0
 126 PHE  HA   HB3   4.0  3.0
 126 PHE  HA   HB2   4.0  3.0
 126 PHE  N    HB3  -1.5  1.5
 126 PHE  N    HB2  -4.5  1.5
 127 GLU- HN   HA    3.8  2.0
 127 GLU- HA   HB3   4.0  3.0
 127 GLU- HA   HB2   4.0  3.0
 127 GLU- N    HB3  -1.5  1.5
 127 GLU- N    HB2  -4.5  1.5
 128 VAL  HN   HA    9.0  2.0
 128 VAL  HA   HB   11.0  3.0
 128 VAL  N    HB   -1.5  1.5
 129 ASP- HN   HA    9.0  2.0
 129 ASP- HA   HB3  11.0  3.0
 129 ASP- HA   HB2   4.0  3.0
 130 VAL  HN   HA    9.5  2.0
 130 VAL  HA   HB   11.0  3.0
 130 VAL  N    HB   -1.5  1.5
 131 ILE  HN   HA    9.5  2.0
 131 ILE  HA   HB   11.0  3.0
 131 ILE  N    HB   -1.5  1.5
 132 VAL  HN   HA    9.5  2.0
 132 VAL  HA   HB   11.0  3.0
 132 VAL  N    HB   -1.5  1.5
 133 MET  HN   HA    9.9  2.0
 133 MET  HA   HB3   4.0  3.0
 133 MET  HA   HB2  11.0  3.0
 133 MET  N    HB3  -4.5  1.5
 133 MET  N    HB2  -1.5  1.5
 134 ASN  HN   HA    9.9  2.0
 134 ASN  HA   HB3   4.0  3.0
 134 ASN  HA   HB2   4.0  3.0
 134 ASN  N    HB2  -4.5  1.5
 134 ASN  N    HB3  -1.5  1.5
 135 SER  HN   HA    4.8  2.0
 135 SER  N    HB3  -1.5  1.5
 135 SER  N    HB2  -1.5  1.5
 136 GLU- HN   HA    4.8  2.0
 136 GLU- N    HB3  -4.5  1.5
 136 GLU- N    HB2  -1.5  1.5
 138 ASN  HN   HA    6.9  2.0
 138 ASN  HA   HB3   4.0  3.0
 138 ASN  HA   HB2  11.0  3.0
 138 ASN  N    HB3  -4.5  1.5
 138 ASN  N    HB2  -1.5  1.5
 139 THR  HN   HA    9.1  2.0
 139 THR  HA   HB   11.0  3.0
 139 THR  N    HB   -1.5  1.5
 140 ILE  HN   HA    5.1  2.0
 140 ILE  HA   HB   11.0  3.0
 140 ILE  N    HB   -1.5  1.5
 141 LEU  HN   HA    4.7  2.0
 141 LEU  HA   HB3   4.0  3.0
 141 LEU  HA   HB2  11.0  3.0
 141 LEU  N    HB3  -1.5  1.5
 141 LEU  N    HB2  -1.5  1.5
 142 GLN  HN   HA    9.4  2.0
 142 GLN  HA   HB2   4.0  3.0
 142 GLN  HA   HB3  11.0  3.0
 142 GLN  N    HB2  -1.5  1.5
 142 GLN  N    HB3  -1.5  1.5
 143 THR  HN   HA    9.1  2.0
 143 THR  HA   HB   11.0  3.0
 143 THR  N    HB   -1.5  1.5
 145 GLN  HN   HA    4.4  2.0
 146 ASN  HN   HA    4.0  2.0
 146 ASN  N    HB2  -1.5  1.5
 146 ASN  N    HB3  -4.5  1.5
 147 ALA  HN   HA    4.9  2.0
 148 ILE  HN   HA    9.1  2.0
 148 ILE  HA   HB   11.0  3.0
 148 ILE  N    HB   -1.5  1.5
 149 PHE  HN   HA    9.4  2.0
 149 PHE  HA   HB3   4.0  3.0
 149 PHE  HA   HB2  11.0  3.0
 149 PHE  N    HB2  -1.5  1.5
 149 PHE  N    HB3  -4.5  1.5
 150 PHE  HN   HA    8.4  2.0
 150 PHE  HA   HB3   4.0  3.0
 150 PHE  HA   HB2  11.0  3.0
 150 PHE  N    HB2  -1.5  1.5
 150 PHE  N    HB3  -4.5  1.5
 151 LYS+ HN   HA    6.4  2.0
 151 LYS+ N    HB2  -1.5  1.5
 151 LYS+ N    HB3  -1.5  1.5
 152 THR  HN   HA    9.1  2.0
 152 THR  HA   HB   11.0  3.0
 152 THR  N    HB   -1.5  1.5
 153 CYSS HN   HA    9.4  2.0
 153 CYSS HA   HB3   4.0  3.0
 153 CYSS HA   HB2  11.0  3.0
 153 CYSS N    HB2  -1.5  1.5
 153 CYSS N    HB3  -4.5  1.5
 154 LEU  HN   HA    9.2  2.0
 154 LEU  HA   HB3   4.0  3.0
 154 LEU  HA   HB2   4.0  3.0
 154 LEU  N    HB2  -4.5  1.5
 154 LEU  N    HB3  -1.5  1.5
 155 GLN  HN   HA    6.4  2.0
 155 GLN  HA   HB3  11.0  3.0
 155 GLN  HA   HB2   4.0  3.0
 155 GLN  N    HB2  -1.5  1.5
 155 GLN  N    HB3  -1.5  1.5
 156 ALA  HN   HA    8.5  2.0
 157 GLU- HN   HA    7.8  2.0


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

Contact the webmaster for help, if required. Saturday, April 20, 2024 5:36:47 AM GMT (wattos1)