NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
20478 2fuh cing 1-original 3 XPLOR/CNS distance hydrogen bond simple


!! H-bond Restraint File for input into CNS

!!helix 1
  assign (segid A and resid   7 and name HN ) (segid A and resid   3 and name O )  2.4 0.7 0.7   !! ASN7 HN-LEU3 O   2.21
  assign (segid A and resid   8 and name HN ) (segid A and resid   4 and name O )  2.4 0.7 0.7   !! LYS8 HN-LYS4 O   2.08
  assign (segid A and resid   9 and name HN ) (segid A and resid   5 and name O )  2.4 0.7 0.7   !! GLU9 HN-ARG5 O   2.11
  assign (segid A and resid  10 and name HN ) (segid A and resid   6 and name O )  2.4 0.7 0.7   !! LEU10 HN-ILE6 O   1.90
  assign (segid A and resid  11 and name HN ) (segid A and resid   7 and name O )  2.4 0.7 0.7   !! SER11 HN-ASN7 O   1.95
  assign (segid A and resid  12 and name HN ) (segid A and resid   8 and name O )  2.4 0.7 0.7   !! ASP12 HN-LYS8 O   2.06
  assign (segid A and resid  14 and name HN ) (segid A and resid  10 and name O )  2.4 0.7 0.7   !! ALA14 HN-LEU10 O   1.87
  assign (segid A and resid  16 and name HN ) (segid A and resid  12 and name O )  2.4 0.7 0.7   !! ASP16 HN-ASP12 O   2.33
!! strands
  assign (segid A and resid  24 and name HN ) (segid A and resid  34 and name O )  2.4 0.7 0.7   !! GLY24 HN-GLN34 O   2.11
  assign (segid A and resid  26 and name HN ) (segid A and resid  32 and name O )  2.4 0.7 0.7   !! VAL26 HN-HIS32 O   1.86
  assign (segid A and resid  32 and name HN ) (segid A and resid  29 and name O )  2.4 0.7 0.7   !! HIS32 HN-ASP29 O   2.29
  assign (segid A and resid  33 and name HN ) (segid A and resid  54 and name O )  2.4 0.7 0.7   !! TRP33 HN-ILE54 O   2.00
  assign (segid A and resid  34 and name HN ) (segid A and resid  24 and name O )  2.4 0.7 0.7   !! GLN34 HN-GLY24 O   1.90
  assign (segid A and resid  35 and name HN ) (segid A and resid  52 and name O )  2.4 0.7 0.7   !! ALA35 HN-LEU52 O   1.99
  assign (segid A and resid  36 and name HN ) (segid A and resid  22 and name O )  2.4 0.7 0.7   !! THR36 HN-SER22 O   1.87
  assign (segid A and resid  37 and name HN ) (segid A and resid  50 and name O )  2.4 0.7 0.7   !! ILE37 HN-PHE50 O   1.88
  assign (segid A and resid  39 and name HN ) (segid A and resid  48 and name O )  2.4 0.7 0.7   !! GLY39 HN-GLY48 O   2.02
  assign (segid A and resid  46 and name HN ) (segid A and resid  43 and name O )  2.4 0.7 0.7   !! GLN46 HN-SER43 O   2.08
  assign (segid A and resid  48 and name HN ) (segid A and resid  45 and name O )  2.4 0.7 0.7   !! GLY48 HN-TYR45 O   2.25
  assign (segid A and resid  49 and name HN ) (segid A and resid 146 and name O )  2.4 0.7 0.7   !! VAL49 HN-ALA146 O   1.94
  assign (segid A and resid  50 and name HN ) (segid A and resid  37 and name O )  2.4 0.7 0.7   !! PHE50 HN-ILE37 O   1.82
  assign (segid A and resid  52 and name HN ) (segid A and resid  35 and name O )  2.4 0.7 0.7   !! LEU52 HN-ALA35 O   1.69
  assign (segid A and resid  53 and name HN ) (segid A and resid  68 and name O )  2.4 0.7 0.7   !! THR53 HN-ALA68 O   1.72
  assign (segid A and resid  54 and name HN ) (segid A and resid  33 and name O )  2.4 0.7 0.7   !! ILE54 HN-TRP33 O   1.94
  assign (segid A and resid  55 and name HN ) (segid A and resid  66 and name O )  2.4 0.7 0.7   !! HIS55 HN-LYS66 O   1.82
 !!assign (segid A and resid  56 and name HN ) (segid A and resid  31 and name O )  2.4 0.7 0.7   !! PHE56 HN-PHE31 O   1.94
  assign (segid A and resid  60 and name HN ) (segid A and resid  57 and name O )  2.4 0.7 0.7   !! TYR60 HN-PRO57 O   2.12
  assign (segid A and resid  66 and name HN ) (segid A and resid  55 and name O )  2.4 0.7 0.7   !! LYS66 HN-HIS55 O   1.72
  assign (segid A and resid  68 and name HN ) (segid A and resid  53 and name O )  2.4 0.7 0.7   !! ALA68 HN-THR53 O   1.92
  assign (segid A and resid  69 and name HN ) (segid A and resid  82 and name O )  2.4 0.7 0.7   !! PHE69 HN-GLY82 O   1.80
  assign (segid A and resid  70 and name HN ) (segid A and resid  51 and name O )  2.4 0.7 0.7   !! THR70 HN-PHE51 O   1.92
  assign (segid A and resid  78 and name HN ) (segid A and resid  75 and name O )  2.4 0.7 0.7   !! ILE78 HN-HIS75 O   2.29
  assign (segid A and resid  82 and name HN ) (segid A and resid  79 and name O )  2.4 0.7 0.7   !! GLY82 HN-ASN79 O   2.29
  assign (segid A and resid  85 and name HN ) (segid A and resid  77 and name O )  2.4 0.7 0.7   !! CYS85 HN-ASN77 O   2.08
  assign (segid A and resid  89 and name HN ) (segid A and resid  86 and name O )  2.4 0.7 0.7   !! LEU89 HN-LEU86 O   2.05
  assign (segid A and resid  90 and name HN ) (segid A and resid  87 and name O )  2.4 0.7 0.7   !! ARG90 HN-ASP87 O   2.12
!!  assign (segid A and resid  92 and name HN ) (segid A and resid  87 and name O )  2.4 0.7 0.7   !! GLN92 HN-ASP87 O   2.03
!!  assign (segid A and resid  93 and name HN ) (segid A and resid  90 and name O )  2.4 0.7 0.7   !! TRP93 HN-ARG90 O   2.04
!!  assign (segid A and resid  97 and name HN ) (segid A and resid  94 and name O )  2.4 0.7 0.7   !! LEU97 HN-SER94 O   1.87
!!helix 2
  assign (segid A and resid 102 and name HN ) (segid A and resid  98 and name O )  2.4 0.7 0.7   !! VAL102 HN-THR98 O   2.18
  assign (segid A and resid 103 and name HN ) (segid A and resid  99 and name O )  2.4 0.7 0.7   !! LEU103 HN-ILE99 O   1.93
  assign (segid A and resid 104 and name HN ) (segid A and resid 100 and name O )  2.4 0.7 0.7   !! LEU104 HN-SER100 O   2.17
  assign (segid A and resid 105 and name HN ) (segid A and resid 101 and name O )  2.4 0.7 0.7   !! SER105 HN-LYS101 O   2.24
  assign (segid A and resid 106 and name HN ) (segid A and resid 102 and name O )  2.4 0.7 0.7   !! ILE106 HN-VAL102 O   2.28
  assign (segid A and resid 107 and name HN ) (segid A and resid 103 and name O )  2.4 0.7 0.7   !! CYS107 HN-LEU103 O   1.92
  assign (segid A and resid 108 and name HN ) (segid A and resid 104 and name O )  2.4 0.7 0.7   !! SER108 HN-LEU104 O   2.01
  assign (segid A and resid 110 and name HN ) (segid A and resid 106 and name O )  2.4 0.7 0.7   !! LEU110 HN-ILE106 O   2.18
  assign (segid A and resid 112 and name HN ) (segid A and resid 108 and name O )  2.4 0.7 0.7   !! ASP112 HN-SER108 O   1.77

!! assign (segid A and resid 117 and name HN ) (segid A and resid 114 and name O )  2.4 0.7 0.7   !! ASP117 HN-ASN114 O   2.08

!! helix3  
  assign (segid A and resid 124 and name HN ) (segid A and resid 120 and name O )  2.4 0.7 0.7   !! ALA124 HN-VAL120 O   2.02
  assign (segid A and resid 125 and name HN ) (segid A and resid 121 and name O )  2.4 0.7 0.7   !! ARG125 HN-PRO121 O   1.91
  assign (segid A and resid 126 and name HN ) (segid A and resid 122 and name O )  2.4 0.7 0.7   !! ILE126 HN-GLU122 O   2.10
  assign (segid A and resid 127 and name HN ) (segid A and resid 123 and name O )  2.4 0.7 0.7   !! TYR127 HN-ILE123 O   2.13
  assign (segid A and resid 128 and name HN ) (segid A and resid 124 and name O )  2.4 0.7 0.7   !! LYS128 HN-ALA124 O   1.94
  assign (segid A and resid 129 and name HN ) (segid A and resid 125 and name O )  2.4 0.7 0.7   !! THR129 HN-ARG125 O   2.13
  assign (segid A and resid 130 and name HN ) (segid A and resid 126 and name O )  2.4 0.7 0.7   !! ASP130 HN-ILE126 O   1.90
!! helix4
  assign (segid A and resid 134 and name HN ) (segid A and resid 130 and name O )  2.4 0.7 0.7   !! TYR134 HN-ASP130 O   2.23
  assign (segid A and resid 135 and name HN ) (segid A and resid 131 and name O )  2.4 0.7 0.7   !! ASN135 HN-ARG131 O   1.73
  assign (segid A and resid 136 and name HN ) (segid A and resid 132 and name O )  2.4 0.7 0.7   !! ARG136 HN-ASP132 O   1.87
  assign (segid A and resid 137 and name HN ) (segid A and resid 133 and name O )  2.4 0.7 0.7   !! ILE137 HN-LYS133 O   2.13
  assign (segid A and resid 138 and name HN ) (segid A and resid 134 and name O )  2.4 0.7 0.7   !! SER138 HN-TYR134 O   1.93
  assign (segid A and resid 139 and name HN ) (segid A and resid 135 and name O )  2.4 0.7 0.7   !! ARG139 HN-ASN135 O   2.19
  assign (segid A and resid 140 and name HN ) (segid A and resid 136 and name O )  2.4 0.7 0.7   !! GLU140 HN-ARG136 O   2.30
  assign (segid A and resid 141 and name HN ) (segid A and resid 137 and name O )  2.4 0.7 0.7   !! TRP141 HN-ILE137 O   2.18
  assign (segid A and resid 142 and name HN ) (segid A and resid 138 and name O )  2.4 0.7 0.7   !! THR142 HN-SER138 O   2.24
  assign (segid A and resid 143 and name HN ) (segid A and resid 139 and name O )  2.4 0.7 0.7   !! GLN143 HN-ARG139 O   2.15
  assign (segid A and resid 144 and name HN ) (segid A and resid 140 and name O )  2.4 0.7 0.7   !! LYS144 HN-GLU140 O   2.27
  assign (segid A and resid 145 and name HN ) (segid A and resid 141 and name O )  2.4 0.7 0.7   !! TYR145 HN-TRP141 O   1.89
!!assign (segid A and resid 147 and name HN ) (segid A and resid 145 and name O )  2.4 0.7 0.7   !! MET147 HN-TYR145 O   1.79

!!UBIQUITIN
!!assign (segid B and resid 17 and name O ) (segid B and resid   1 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 65 and name O ) (segid B and resid   4 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 13 and name O ) (segid B and resid   5 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 67 and name O ) (segid B and resid   6 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 15 and name O ) (segid B and resid   3 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 11 and name O ) (segid B and resid   7 and name HN )  2.0 0.7 0.5
  assign (segid B and resid  5 and name O ) (segid B and resid  13 and name HN )  2.0 0.7 0.5
  assign (segid B and resid  3 and name O ) (segid B and resid  15 and name HN )  2.0 0.7 0.5
  assign (segid B and resid  1 and name O ) (segid B and resid  17 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 18 and name O ) (segid B and resid  21 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 54 and name O ) (segid B and resid  23 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 52 and name O ) (segid B and resid  24 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 23 and name O ) (segid B and resid  27 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 25 and name O ) (segid B and resid  29 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 26 and name O ) (segid B and resid  30 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 27 and name O ) (segid B and resid  31 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 28 and name O ) (segid B and resid  32 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 29 and name O ) (segid B and resid  33 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 30 and name O ) (segid B and resid  34 and name HN )  2.0 0.7 0.5
!!assign (segid B and resid 37 and name O ) (segid B and resid  40 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 68 and name O ) (segid B and resid  44 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 45 and name O ) (segid B and resid  48 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 43 and name O ) (segid B and resid  50 and name HN )  2.0 0.7 0.5
  assign (segid B and resid  2 and name O ) (segid B and resid  64 and name HN )  2.0 0.7 0.5
  assign (segid B and resid  4 and name O ) (segid B and resid  67 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 44 and name O ) (segid B and resid  68 and name HN )  2.0 0.7 0.5
  assign (segid B and resid  6 and name O ) (segid B and resid  69 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 42 and name O ) (segid B and resid  70 and name HN )  2.0 0.7 0.5
  assign (segid B and resid 40 and name O ) (segid B and resid  72 and name HN )  2.0 0.7 0.5




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