NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
2504 1bzf 4262 cing 1-original 4 XPLOR/CNS dihedral angle


! Dihedral angle restraints
! Phi restraints 
assign (resid   1 and name c) (resid   2 and name n)
       (resid   2 and name ca)(resid   2 and name c) 1.0 -120.0 40.0 2   
assign (resid   2 and name c) (resid   3 and name n)
       (resid   3 and name ca)(resid   3 and name c) 1.0 -100.0 40.0 2   
assign (resid   3 and name c) (resid   4 and name n)                     
       (resid   4 and name ca)(resid   4 and name c) 1.0 -140.0 40.0 2   
assign (resid   4 and name c) (resid   5 and name n)                     
       (resid   5 and name ca)(resid   5 and name c) 1.0 -140.0 30.0 2   
assign (resid   5 and name c) (resid   6 and name n)                     
       (resid   6 and name ca)(resid   6 and name c) 1.0 -120.0 40.0 2   
assign (resid   7 and name c) (resid   8 and name n)                     
       (resid   8 and name ca)(resid   8 and name c) 1.0 -120.0 50.0 2   
assign (resid   8 and name c) (resid   9 and name n)                    
       (resid   9 and name ca)(resid   9 and name c) 1.0 -60.0 50.0 2  
assign (resid   9 and name c) (resid  10 and name n)
       (resid  10 and name ca)(resid  10 and name c) 1.0 -111.0 50.0 2
assign (resid  11 and name c) (resid  12 and name n)
       (resid  12 and name ca)(resid  12 and name c) 1.0 -90.0 40.0 2
assign (resid  12 and name c) (resid  13 and name n)
       (resid  13 and name ca)(resid  13 and name c) 1.0 -120.0 30.0 2
assign (resid  14 and name c) (resid  15 and name n)
       (resid  15 and name ca)(resid  15 and name c) 1.0 -140.0 40.0 2
assign (resid  15 and name c) (resid  16 and name n)
       (resid  16 and name ca)(resid  16 and name c) 1.0  60.0 30.0 2
assign (resid  17 and name c) (resid  18 and name n)
       (resid  18 and name ca)(resid  18 and name c) 1.0 -87.0 50.0 2
assign (resid  22 and name c) (resid  23 and name n)
       (resid  23 and name ca)(resid  23 and name c) 1.0 -120.0 40.0 2
assign (resid  24 and name c) (resid  25 and name n)
       (resid  25 and name ca)(resid  25 and name c) 1.0 -60.0 30.0 2    
assign (resid  25 and name c) (resid  26 and name n)                     
       (resid  26 and name ca)(resid  26 and name c) 1.0 -87.0 40.0 2    
assign (resid  26 and name c) (resid  27 and name n)                     
       (resid  27 and name ca)(resid  27 and name c) 1.0 -66.0 30.0 2    
assign (resid  27 and name c) (resid  28 and name n)                     
       (resid  28 and name ca)(resid  28 and name c) 1.0 -60.0 40.0 2    
assign (resid  28 and name c) (resid  29 and name n)                     
       (resid  29 and name ca)(resid  29 and name c) 1.0 -69.0 40.0 2    
assign (resid  29 and name c) (resid  30 and name n)                     
       (resid  30 and name ca)(resid  30 and name c) 1.0 -69.0 30.0 2    
assign (resid  30 and name c) (resid  31 and name n)                     
       (resid  31 and name ca)(resid  31 and name c) 1.0 -60.0 30.0 2    
assign (resid  31 and name c) (resid  32 and name n)                     
       (resid  32 and name ca)(resid  32 and name c) 1.0 -60.0 40.0 2    
assign (resid  32 and name c) (resid  33 and name n)                     
       (resid  33 and name ca)(resid  33 and name c) 1.0 -87.0 40.0 2    
assign (resid  33 and name c) (resid  34 and name n)
       (resid  34 and name ca)(resid  34 and name c) 1.0 -120.0 40.0 2
assign (resid  34 and name c) (resid  35 and name n)
       (resid  35 and name ca)(resid  35 and name c) 1.0 -60.0 30.0 2
assign (resid  36 and name c) (resid  37 and name n)
       (resid  37 and name ca)(resid  37 and name c) 1.0 -140.0 30.0 2
assign (resid  37 and name c) (resid  38 and name n)
       (resid  38 and name ca)(resid  38 and name c) 1.0 -110.0 40.0 2
assign (resid  38 and name c) (resid  39 and name n)
       (resid  39 and name ca)(resid  39 and name c) 1.0  -93.0 50.0 2
assign (resid  39 and name c) (resid  40 and name n)
       (resid  40 and name ca)(resid  40 and name c) 1.0 -123.0 30.0 2
assign (resid  40 and name c) (resid  41 and name n)
       (resid  41 and name ca)(resid  41 and name c) 1.0 -120.0 40.0 2
assign (resid  42 and name c) (resid  43 and name n)                     
       (resid  43 and name ca)(resid  43 and name c) 1.0 -69.0 30.0 2    
assign (resid  43 and name c) (resid  44 and name n)                     
       (resid  44 and name ca)(resid  44 and name c) 1.0 -69.0 30.0 2    
assign (resid  44 and name c) (resid  45 and name n)                     
       (resid  45 and name ca)(resid  45 and name c) 1.0 -69.0 30.0 2    
assign (resid  46 and name c) (resid  47 and name n)                     
       (resid  47 and name ca)(resid  47 and name c) 1.0 -75.0 30.0 2    
assign (resid  47 and name c) (resid  48 and name n)                     
       (resid  48 and name ca)(resid  48 and name c) 1.0 -69.0 30.0 2    
assign (resid  48 and name c) (resid  49 and name n)                     
       (resid  49 and name ca)(resid  49 and name c) 1.0 -69.0 30.0 2    
assign (resid  50 and name c) (resid  51 and name n)
       (resid  51 and name ca)(resid  51 and name c) 1.0 -120.0 40.0 2
assign (resid  51 and name c) (resid  52 and name n)
       (resid  52 and name ca)(resid  52 and name c) 1.0 -110.0 40.0 2
assign (resid  53 and name c) (resid  54 and name n)
       (resid  54 and name ca)(resid  54 and name c) 1.0 -75.0 40.0 2
assign (resid  55 and name c) (resid  56 and name n)
       (resid  56 and name ca)(resid  56 and name c) 1.0  60.0 40.0 2
assign (resid  56 and name c) (resid  57 and name n)
       (resid  57 and name ca)(resid  57 and name c) 1.0 -141.0 50.0 2
assign (resid  57 and name c) (resid  58 and name n)
       (resid  58 and name ca)(resid  58 and name c) 1.0 -108.0 40.0 2
assign (resid  59 and name c) (resid  60 and name n)
       (resid  60 and name ca)(resid  60 and name c) 1.0 -120.0 30.0 2
assign (resid  60 and name c) (resid  61 and name n)
       (resid  61 and name ca)(resid  61 and name c) 1.0 -100.0 40.0 2
assign (resid  61 and name c) (resid  62 and name n)
       (resid  62 and name ca)(resid  62 and name c) 1.0 -120.0 50.0 2
assign (resid  62 and name c) (resid  63 and name n)
       (resid  63 and name ca)(resid  63 and name c) 1.0 -120.0 50.0 2
assign (resid  64 and name c) (resid  65 and name n)
       (resid  65 and name ca)(resid  65 and name c) 1.0 -120.0 50.0 2
assign (resid  66 and name c) (resid  67 and name n)
       (resid  67 and name ca)(resid  67 and name c) 1.0 -110.0 40.0 2
assign (resid  67 and name c) (resid  68 and name n)
       (resid  68 and name ca)(resid  68 and name c) 1.0 -90.0 40.0 2
assign (resid  68 and name c) (resid  69 and name n)
       (resid  69 and name ca)(resid  69 and name c) 1.0 -120.0 40.0 2
assign (resid  69 and name c) (resid  70 and name n)
       (resid  70 and name ca)(resid  70 and name c) 1.0 -110.0 30.0 2
assign (resid  70 and name c) (resid  71 and name n)
       (resid  71 and name ca)(resid  71 and name c) 1.0  -69.0 40.0 2
assign (resid  72 and name c) (resid  73 and name n)
       (resid  73 and name ca)(resid  73 and name c) 1.0 -120.0 40.0 2
assign (resid  73 and name c) (resid  74 and name n)
       (resid  74 and name ca)(resid  74 and name c) 1.0 -110.0 50.0 2
assign (resid  74 and name c) (resid  75 and name n)
       (resid  75 and name ca)(resid  75 and name c) 1.0 -110.0 50.0 2
assign (resid  75 and name c) (resid  76 and name n)
       (resid  76 and name ca)(resid  76 and name c) 1.0 -120.0 40.0 2
assign (resid  76 and name c) (resid  77 and name n)
       (resid  77 and name ca)(resid  77 and name c) 1.0 -120.0 40.0 2
assign (resid  77 and name c) (resid  78 and name n)                   
       (resid  78 and name ca)(resid  78 and name c) 1.0 -140.0 40.0 2
assign (resid  78 and name c) (resid  79 and name n)                      
       (resid  79 and name ca)(resid  79 and name c) 1.0 -60.0 30.0 2    
assign (resid  79 and name c) (resid  80 and name n)                     
       (resid  80 and name ca)(resid  80 and name c) 1.0 -60.0 30.0 2    
assign (resid  80 and name c) (resid  81 and name n)                     
       (resid  81 and name ca)(resid  81 and name c) 1.0 -60.0 30.0 2    
assign (resid  81 and name c) (resid  82 and name n)                     
       (resid  82 and name ca)(resid  82 and name c) 1.0 -60.0 30.0 2    
assign (resid  82 and name c) (resid  83 and name n)                     
       (resid  83 and name ca)(resid  83 and name c) 1.0 -60.0 30.0 2    
assign (resid  83 and name c) (resid  84 and name n)                     
       (resid  84 and name ca)(resid  84 and name c) 1.0 -60.0 30.0 2    
assign (resid  84 and name c) (resid  85 and name n)                     
       (resid  85 and name ca)(resid  85 and name c) 1.0 -60.0 40.0 2    
assign (resid  85 and name c) (resid  86 and name n)                     
       (resid  86 and name ca)(resid  86 and name c) 1.0 -69.0 30.0 2    
assign (resid  86 and name c) (resid  87 and name n)                     
       (resid  87 and name ca)(resid  87 and name c) 1.0 -69.0 30.0 2    
assign (resid  88 and name c) (resid  89 and name n)                     
       (resid  89 and name ca)(resid  89 and name c) 1.0 -120.0 30.0 2
assign (resid  91 and name c) (resid  92 and name n)     
       (resid  92 and name ca)(resid  92 and name c) 1.0 -120.0 40.0 2
assign (resid  92 and name c) (resid  93 and name n)     
       (resid  93 and name ca)(resid  93 and name c) 1.0 -120.0 40.0 2
assign (resid  95 and name c) (resid  96 and name n)
       (resid  96 and name ca)(resid  96 and name c) 1.0 -120.0 50.0 2
assign (resid  96 and name c) (resid  97 and name n)
       (resid  97 and name ca)(resid  97 and name c) 1.0 -100.0 50.0 2
assign (resid  99 and name c) (resid 100 and name n)                     
       (resid 100 and name ca)(resid 100 and name c) 1.0 -60.0 40.0 2    
assign (resid 100 and name c) (resid 101 and name n)                     
       (resid 101 and name ca)(resid 101 and name c) 1.0 -69.0 30.0 2    
assign (resid 101 and name c) (resid 102 and name n)                     
       (resid 102 and name ca)(resid 102 and name c) 1.0 -78.0 30.0 2    
assign (resid 102 and name c) (resid 103 and name n)                     
       (resid 103 and name ca)(resid 103 and name c) 1.0 -51.0 30.0 2    
assign (resid 104 and name c) (resid 105 and name n)                     
       (resid 105 and name ca)(resid 105 and name c) 1.0 -63.0 30.0 2    
assign (resid 105 and name c) (resid 106 and name n)                  
       (resid 106 and name ca)(resid 106 and name c) 1.0 -120.0 40.0 2  
assign (resid 106 and name c) (resid 107 and name n)                   
       (resid 107 and name ca)(resid 107 and name c) 1.0  -78.0 40.0 2
assign (resid 107 and name c) (resid 108 and name n)       
       (resid 108 and name ca)(resid 108 and name c) 1.0 -93.0 30.0 2
assign (resid 108 and name c) (resid 109 and name n)
       (resid 109 and name ca)(resid 109 and name c) 1.0 -120.0 40.0 2
assign (resid 109 and name c) (resid 110 and name n)
       (resid 110 and name ca)(resid 110 and name c) 1.0 -111.0 40.0 2
assign (resid 110 and name c) (resid 111 and name n)
       (resid 111 and name ca)(resid 111 and name c) 1.0 -120.0 30.0 2
assign (resid 111 and name c) (resid 112 and name n)
       (resid 112 and name ca)(resid 112 and name c) 1.0 -120.0 40.0 2
assign (resid 112 and name c) (resid 113 and name n)
       (resid 113 and name ca)(resid 113 and name c) 1.0 -120.0 30.0 2
assign (resid 113 and name c) (resid 114 and name n)
       (resid 114 and name ca)(resid 114 and name c) 1.0 -120.0 50.0 2
assign (resid 115 and name c) (resid 116 and name n)
       (resid 116 and name ca)(resid 116 and name c) 1.0 -120.0 30.0 2
assign (resid 116 and name c) (resid 117 and name n)
       (resid 117 and name ca)(resid 117 and name c) 1.0 -120.0 40.0 2
assign (resid 117 and name c) (resid 118 and name n)
       (resid 118 and name ca)(resid 118 and name c) 1.0 -93.0 40.0 2
assign (resid 120 and name c) (resid 121 and name n)
       (resid 121 and name ca)(resid 121 and name c) 1.0 -100.0 40.0 2
assign (resid 121 and name c) (resid 122 and name n)
       (resid 122 and name ca)(resid 122 and name c) 1.0 -120.0 30.0 2
assign (resid 124 and name c) (resid 125 and name n)
       (resid 125 and name ca)(resid 125 and name c) 1.0 -120.0 30 2 
assign (resid 125 and name c) (resid 126 and name n)
       (resid 126 and name ca)(resid 126 and name c) 1.0 -110.0 50.0 2
assign (resid 126 and name c) (resid 127 and name n)
       (resid 127 and name ca)(resid 127 and name c) 1.0 -120.0 30.0 2 
assign (resid 127 and name c) (resid 128 and name n)
       (resid 128 and name ca)(resid 128 and name c) 1.0 -90.0 40.0 2 
assign (resid 128 and name c) (resid 129 and name n)
       (resid 129 and name ca)(resid 129 and name c) 1.0 -60.0 40.0 2 
assign (resid 130 and name c) (resid 131 and name n)
       (resid 131 and name ca)(resid 131 and name c) 1.0 -100.0 40.0 2
assign (resid 131 and name c) (resid 132 and name n)
       (resid 132 and name ca)(resid 132 and name c) 1.0 -100.0 40.0 2
assign (resid 132 and name c) (resid 133 and name n)
       (resid 133 and name ca)(resid 133 and name c) 1.0 -60.0 30.0 2
assign (resid 133 and name c) (resid 134 and name n)
       (resid 134 and name ca)(resid 134 and name c) 1.0 -75.0 30.0 2
assign (resid 135 and name c) (resid 136 and name n)
       (resid 136 and name ca)(resid 136 and name c) 1.0 -120.0 50.0 2
assign (resid 136 and name c) (resid 137 and name n)
       (resid 137 and name ca)(resid 137 and name c) 1.0 -120.0 40.0 2
assign (resid 137 and name c) (resid 138 and name n)
       (resid 138 and name ca)(resid 138 and name c) 1.0 -90.0 40.0 2
assign (resid 138 and name c) (resid 139 and name n)
       (resid 139 and name ca)(resid 139 and name c) 1.0 -120.0 30.0 2
assign (resid 140 and name c) (resid 141 and name n)
       (resid 141 and name ca)(resid 141 and name c) 1.0 -140.0 30.0 2
assign (resid 141 and name c) (resid 142 and name n)
       (resid 142 and name ca)(resid 142 and name c) 1.0 -120.0 40.0 2
assign (resid 142 and name c) (resid 143 and name n)
       (resid 143 and name ca)(resid 143 and name c) 1.0 -90.0 50.0 2
assign (resid 143 and name c) (resid 144 and name n)
       (resid 144 and name ca)(resid 144 and name c) 1.0 -140.0 30.0 2
assign (resid 144 and name c) (resid 145 and name n)
       (resid 145 and name ca)(resid 145 and name c) 1.0 -120.0 30.0 2
assign (resid 145 and name c) (resid 146 and name n)
       (resid 146 and name ca)(resid 146 and name c) 1.0 -120.0 40.0 2
assign (resid 146 and name c) (resid 147 and name n)
       (resid 147 and name ca)(resid 147 and name c) 1.0 -78.0 40.0 2
assign (resid 147 and name c) (resid 148 and name n)
       (resid 148 and name ca)(resid 148 and name c) 1.0 -90.0 50.0 2
assign (resid 149 and name c) (resid 150 and name n)
       (resid 150 and name ca)(resid 150 and name c) 1.0 -69.0 30.0 2
assign (resid 150 and name c) (resid 151 and name n)
       (resid 151 and name ca)(resid 151 and name c) 1.0 -110.0 40.0 2
assign (resid 151 and name c) (resid 152 and name n)
       (resid 152 and name ca)(resid 152 and name c) 1.0 -63.0 30.0 2
assign (resid 152 and name c) (resid 153 and name n)
       (resid 153 and name ca)(resid 153 and name c) 1.0 -120.0 60.0 2
assign (resid 153 and name c) (resid 154 and name n)
       (resid 154 and name ca)(resid 154 and name c) 1.0 -120.0 30.0 2
assign (resid 154 and name c) (resid 155 and name n)
       (resid 155 and name ca)(resid 155 and name c) 1.0 -110.0 40.0 2
assign (resid 155 and name c) (resid 156 and name n)
       (resid 156 and name ca)(resid 156 and name c) 1.0 -110.0 40.0 2
assign (resid 157 and name c) (resid 158 and name n)
       (resid 158 and name ca)(resid 158 and name c) 1.0 -120.0 30.0 2
assign (resid 158 and name c) (resid 159 and name n)
       (resid 159 and name ca)(resid 159 and name c) 1.0 -120.0 30.0 2
assign (resid 159 and name c) (resid 160 and name n)
       (resid 160 and name ca)(resid 160 and name c) 1.0 -69.0 30.0 2
assign (resid 160 and name c) (resid 161 and name n)
       (resid 161 and name ca)(resid 161 and name c) 1.0 -120.0 60.0 2
assign (resid 161 and name c) (resid 162 and name n)
       (resid 162 and name ca)(resid 162 and name c) 1.0 -120.0 60.0 2
! Psi restraints 
assign (resid   2 and name n) (resid   2 and name ca) 
       (resid   2 and name c) (resid   3 and name n) 1.0 135.0 40.0 2 
assign (resid   3 and name n) (resid   3 and name ca)
       (resid   3 and name c) (resid   4 and name n) 1.0 120.0 50.0 2
assign (resid   4 and name n) (resid   4 and name ca)
       (resid   4 and name c) (resid   5 and name n) 1.0 120.0 40.0 2
assign (resid   5 and name n) (resid   5 and name ca)
       (resid   5 and name c) (resid   6 and name n) 1.0 140.0 40.0 2
assign (resid   6 and name n) (resid   6 and name ca)
       (resid   6 and name c) (resid   7 and name n) 1.0 120.0 40.0 2
assign (resid   7 and name n) (resid   7 and name ca)
       (resid   7 and name c) (resid   8 and name n) 1.0 140.0 40.0 2
assign (resid   8 and name n) (resid   8 and name ca)
       (resid   8 and name c) (resid   9 and name n) 1.0 140.0 60.0 3 
assign (resid   9 and name n) (resid   9 and name ca)
       (resid   9 and name c) (resid  10 and name n) 1.0 -30.0 50.0 3 
assign (resid  10 and name n) (resid  10 and name ca)
       (resid  10 and name c) (resid  11 and name n) 1.0 -18.0 50.0 2
assign (resid  12 and name n) (resid  12 and name ca)
       (resid  12 and name c) (resid  13 and name n) 1.0 135.0 50.0 2
assign (resid  13 and name n) (resid  13 and name ca)
       (resid  13 and name c) (resid  14 and name n) 1.0 -18.0 50.0 2
assign (resid  15 and name n) (resid  15 and name ca)
       (resid  15 and name c) (resid  16 and name n) 1.0 123.0 50.0 2
assign (resid  18 and name n) (resid  18 and name ca)
       (resid  18 and name c) (resid  19 and name n) 1.0 144.0 50.0 2
assign (resid  21 and name n) (resid  21 and name ca)
       (resid  21 and name c) (resid  22 and name n) 1.0 160.0 40.0 2
assign (resid  22 and name n) (resid  22 and name ca)
       (resid  22 and name c) (resid  23 and name n) 1.0 120.0 40.0 2
assign (resid  25 and name n) (resid  25 and name ca)
       (resid  25 and name c) (resid  26 and name n) 1.0 -60.0 40.0 2
assign (resid  26 and name n) (resid  26 and name ca)
       (resid  26 and name c) (resid  27 and name n) 1.0 -30.0 40.0 2
assign (resid  27 and name n) (resid  27 and name ca)
       (resid  27 and name c) (resid  28 and name n) 1.0 -50.0 40.0 2
assign (resid  28 and name n) (resid  28 and name ca)
       (resid  28 and name c) (resid  29 and name n) 1.0 -39.0 40.0 2 
assign (resid  29 and name n) (resid  29 and name ca)
       (resid  29 and name c) (resid  30 and name n) 1.0 -39.0 40.0 2
assign (resid  30 and name n) (resid  30 and name ca)
       (resid  30 and name c) (resid  31 and name n) 1.0 -60.0 40.0 2
assign (resid  31 and name n) (resid  31 and name ca)
       (resid  31 and name c) (resid  32 and name n) 1.0 -30.0 40.0 2
assign (resid  32 and name n) (resid  32 and name ca)
       (resid  32 and name c) (resid  33 and name n) 1.0 -39.0 40.0 2
assign (resid  33 and name n) (resid  33 and name ca)
       (resid  33 and name c) (resid  34 and name n) 1.0  25.0 50.0 2
assign (resid  34 and name n) (resid  34 and name ca)
       (resid  34 and name c) (resid  35 and name n) 1.0 3.0 40.0 2
assign (resid  35 and name n) (resid  35 and name ca)
       (resid  35 and name c) (resid  36 and name n) 1.0 140.0 40.0 2
assign (resid  38 and name n) (resid  38 and name ca)
       (resid  38 and name c) (resid  39 and name n) 1.0 117.0 40.0 2
assign (resid  39 and name n) (resid  39 and name ca)
       (resid  39 and name c) (resid  40 and name n) 1.0 120.0 50.0 2
assign (resid  40 and name n) (resid  40 and name ca)
       (resid  40 and name c) (resid  41 and name n) 1.0 120.0 40.0 2
assign (resid  41 and name n) (resid  41 and name ca)
       (resid  41 and name c) (resid  42 and name n) 1.0 155.0 40.0 2
assign (resid  43 and name n) (resid  43 and name ca)
       (resid  43 and name c) (resid  44 and name n) 1.0 -39.0 40.0 2
assign (resid  44 and name n) (resid  44 and name ca)
       (resid  44 and name c) (resid  45 and name n) 1.0 -60.0 30.0 2 
assign (resid  45 and name n) (resid  45 and name ca)
       (resid  45 and name c) (resid  46 and name n) 1.0 -50.0 40.0 2
assign (resid  46 and name n) (resid  46 and name ca)
       (resid  46 and name c) (resid  47 and name n) 1.0 -60.0 40.0 2
assign (resid  47 and name n) (resid  47 and name ca)
       (resid  47 and name c) (resid  48 and name n) 1.0 -30.0 40.0 2 
assign (resid  48 and name n) (resid  48 and name ca)
       (resid  48 and name c) (resid  49 and name n) 1.0 -30.0 40.0 2
assign (resid  51 and name n) (resid  51 and name ca)
       (resid  51 and name c) (resid  52 and name n) 1.0 120.0 50.0 2
assign (resid  52 and name n) (resid  52 and name ca)
       (resid  52 and name c) (resid  53 and name n) 1.0 140.0 40.0 2
assign (resid  56 and name n) (resid  56 and name ca)
       (resid  56 and name c) (resid  57 and name n) 1.0 51.0 40.0 2
assign (resid  57 and name n) (resid  57 and name ca)
       (resid  57 and name c) (resid  58 and name n) 1.0 151.0 40.0 2
assign (resid  58 and name n) (resid  58 and name ca)
       (resid  58 and name c) (resid  59 and name n) 1.0 120.0 40.0 2
assign (resid  59 and name n) (resid  59 and name ca)
       (resid  59 and name c) (resid  60 and name n) 1.0 120.0 40.0 2
assign (resid  60 and name n) (resid  60 and name ca)
       (resid  60 and name c) (resid  61 and name n) 1.0 120.0 40.0 2
assign (resid  61 and name n) (resid  61 and name ca)
       (resid  61 and name c) (resid  62 and name n) 1.0 140.0 40.0 2
assign (resid  62 and name n) (resid  62 and name ca)
       (resid  62 and name c) (resid  63 and name n) 1.0 120.0 40.0 2
assign (resid  65 and name n) (resid  65 and name ca)
       (resid  65 and name c) (resid  66 and name n) 1.0 141.0 40.0 2
assign (resid  66 and name n) (resid  66 and name ca)
       (resid  66 and name c) (resid  67 and name n) 1.0  48.0 40.0 2
assign (resid  67 and name n) (resid  67 and name ca)
       (resid  67 and name c) (resid  68 and name n) 1.0  10.0 60.0 2
assign (resid  69 and name n) (resid  69 and name ca)
       (resid  69 and name c) (resid  70 and name n) 1.0 120.0 50.0 2
assign (resid  70 and name n) (resid  70 and name ca)
       (resid  70 and name c) (resid  71 and name n) 1.0 120.0 50.0 2
assign (resid  71 and name n) (resid  71 and name ca)
       (resid  71 and name c) (resid  72 and name n) 1.0 120.0 40.0 2
assign (resid  73 and name n) (resid  73 and name ca)
       (resid  73 and name c) (resid  74 and name n) 1.0 135.0 40.0 2
assign (resid  74 and name n) (resid  74 and name ca)
       (resid  74 and name c) (resid  75 and name n) 1.0 123.0 40.0 2
assign (resid  75 and name n) (resid  75 and name ca)
       (resid  75 and name c) (resid  76 and name n) 1.0 111.0 40.0 2
assign (resid  76 and name n) (resid  76 and name ca)
       (resid  76 and name c) (resid  77 and name n) 1.0 147.0 40.0 2
assign (resid  77 and name n) (resid  77 and name ca)
       (resid  77 and name c) (resid  78 and name n) 1.0 30.0 30.0 2
assign (resid  80 and name n) (resid  80 and name ca)
       (resid  80 and name c) (resid  81 and name n) 1.0 -45.0 30.0 2
assign (resid  81 and name n) (resid  81 and name ca)
       (resid  81 and name c) (resid  82 and name n) 1.0 -45.0 30.0 2
assign (resid  82 and name n) (resid  82 and name ca)
       (resid  82 and name c) (resid  83 and name n) 1.0 -51.0 30.0 2
assign (resid  83 and name n) (resid  83 and name ca)
       (resid  83 and name c) (resid  84 and name n) 1.0 -51.0 30.0 2 
assign (resid  84 and name n) (resid  84 and name ca)
       (resid  84 and name c) (resid  85 and name n) 1.0 -45.0 30.0 2
assign (resid  86 and name n) (resid  86 and name ca)
       (resid  86 and name c) (resid  87 and name n) 1.0 -45.0 30.0 2
assign (resid  87 and name n) (resid  87 and name ca)
       (resid  87 and name c) (resid  88 and name n) 1.0 -51.0 40.0 2
assign (resid  88 and name n) (resid  88 and name ca)
       (resid  88 and name c) (resid  89 and name n) 1.0  -15.0 50.0 2
assign (resid  91 and name n) (resid  91 and name ca)
       (resid  91 and name c) (resid  92 and name n) 1.0 -24.0 40.0 2
assign (resid  92 and name n) (resid  92 and name ca)
       (resid  92 and name c) (resid  93 and name n) 1.0 140.0 40.0 2
assign (resid  93 and name n) (resid  93 and name ca)
       (resid  93 and name c) (resid  94 and name n) 1.0 162.0 40.0 2
assign (resid  94 and name n) (resid  94 and name ca)
       (resid  94 and name c) (resid  95 and name n) 1.0 120.0 40.0 2
assign (resid  95 and name n) (resid  95 and name ca)
       (resid  95 and name c) (resid  96 and name n) 1.0 120.0 40.0 2
assign (resid  96 and name n) (resid  96 and name ca)
       (resid  96 and name c) (resid  97 and name n) 1.0 120.0 50.0 2
assign (resid  97 and name n) (resid  97 and name ca)
       (resid  97 and name c) (resid  98 and name n) 1.0 -36.0 40.0 2
assign (resid 100 and name n) (resid 100 and name ca)
       (resid 100 and name c) (resid 101 and name n) 1.0 -36.0 40.0 2
assign (resid 101 and name n) (resid 101 and name ca)
       (resid 101 and name c) (resid 102 and name n) 1.0 -36.0 30.0 2
assign (resid 102 and name n) (resid 102 and name ca)
       (resid 102 and name c) (resid 103 and name n) 1.0 -54.0 30.0 2
assign (resid 103 and name n) (resid 103 and name ca)
       (resid 103 and name c) (resid 104 and name n) 1.0 -60.0 40.0 2
assign (resid 104 and name n) (resid 104 and name ca)
       (resid 104 and name c) (resid 105 and name n) 1.0 -39.0 30.0 2
assign (resid 105 and name n) (resid 105 and name ca)
       (resid 105 and name c) (resid 106 and name n) 1.0 -45.0 30.0 2
assign (resid 106 and name n) (resid 106 and name ca)
       (resid 106 and name c) (resid 107 and name n) 1.0  12.0 40.0 2
assign (resid 107 and name n) (resid 107 and name ca)
       (resid 107 and name c) (resid 108 and name n) 1.0 -30.0 50.0 2
assign (resid 109 and name n) (resid 109 and name ca)
       (resid 109 and name c) (resid 110 and name n) 1.0 33.0 50.0 2
assign (resid 110 and name n) (resid 110 and name ca)
       (resid 110 and name c) (resid 111 and name n) 1.0 140.0 30.0 2
assign (resid 111 and name n) (resid 111 and name ca)
       (resid 111 and name c) (resid 112 and name n) 1.0 -30.0 50.0 2
assign (resid 112 and name n) (resid 112 and name ca)
       (resid 112 and name c) (resid 113 and name n) 1.0 147.0 40.0 2
assign (resid 113 and name n) (resid 113 and name ca)
       (resid 113 and name c) (resid 114 and name n) 1.0 120.0 50.0 2
assign (resid 114 and name n) (resid 114 and name ca)
       (resid 114 and name c) (resid 115 and name n) 1.0 120.0 60.0 2
assign (resid 115 and name n) (resid 115 and name ca)
       (resid 115 and name c) (resid 116 and name n) 1.0 140.0 50.0 2
assign (resid 116 and name n) (resid 116 and name ca)
       (resid 116 and name c) (resid 117 and name n) 1.0 120.0 40.0 2
assign (resid 117 and name n) (resid 117 and name ca)
       (resid 117 and name c) (resid 118 and name n) 1.0 135.0 40.0 2
assign (resid 118 and name n) (resid 118 and name ca)
       (resid 118 and name c) (resid 119 and name n) 1.0 144.0 50.0 2
assign (resid 122 and name n) (resid 122 and name ca)
       (resid 122 and name c) (resid 123 and name n) 1.0 120.0 40.0 2
assign (resid 123 and name n) (resid 123 and name ca)
       (resid 123 and name c) (resid 124 and name n) 1.0 140.0 40.0 2
assign (resid 125 and name n) (resid 125 and name ca)
       (resid 125 and name c) (resid 126 and name n) 1.0 -30.0 40.0 2
assign (resid 126 and name n) (resid 126 and name ca)
       (resid 126 and name c) (resid 127 and name n) 1.0 135.0 50.0 2
assign (resid 127 and name n) (resid 127 and name ca)
       (resid 127 and name c) (resid 128 and name n) 1.0 140.0 40.0 2
assign (resid 131 and name n) (resid 131 and name ca) 
       (resid 131 and name c) (resid 132 and name n) 1.0 153.0 30.0 2
assign (resid 132 and name n) (resid 132 and name ca)
       (resid 132 and name c) (resid 133 and name n) 1.0 112.0 50.0 2
assign (resid 133 and name n) (resid 133 and name ca)
       (resid 133 and name c) (resid 134 and name n) 1.0 -30.0 40.0 2
assign (resid 134 and name n) (resid 134 and name ca)
       (resid 134 and name c) (resid 135 and name n) 1.0 -30.0 40.0 2
assign (resid 136 and name n) (resid 136 and name ca)
       (resid 136 and name c) (resid 137 and name n) 1.0 140.0 40.0 2
assign (resid 137 and name n) (resid 137 and name ca)
       (resid 137 and name c) (resid 138 and name n) 1.0 140.0 40.0 2
assign (resid 138 and name n) (resid 138 and name ca)
       (resid 138 and name c) (resid 139 and name n) 1.0 120.0 40.0 2
assign (resid 139 and name n) (resid 139 and name ca)
       (resid 139 and name c) (resid 140 and name n) 1.0 -60.0 40.0 2
assign (resid 140 and name n) (resid 140 and name ca)
       (resid 140 and name c) (resid 141 and name n) 1.0 158.0 40.0 2
assign (resid 141 and name n) (resid 141 and name ca)
       (resid 141 and name c) (resid 142 and name n) 1.0 120.0 40.0 2
assign (resid 142 and name n) (resid 142 and name ca)
       (resid 142 and name c) (resid 143 and name n) 1.0 120.0 40.0 2
assign (resid 144 and name n) (resid 144 and name ca)
       (resid 144 and name c) (resid 145 and name n) 1.0 140.0 40.0 2
assign (resid 145 and name n) (resid 145 and name ca)
       (resid 145 and name c) (resid 146 and name n) 1.0 120.0 40.0 2
assign (resid 146 and name n) (resid 146 and name ca)
       (resid 146 and name c) (resid 147 and name n) 1.0 140.0 60.0 2
assign (resid 147 and name n) (resid 147 and name ca)
       (resid 147 and name c) (resid 148 and name n) 1.0 -45.0 30.0 2
assign (resid 148 and name n) (resid 148 and name ca)
       (resid 148 and name c) (resid 149 and name n) 1.0 140.0 40.0 2
assign (resid 150 and name n) (resid 150 and name ca)
       (resid 150 and name c) (resid 151 and name n) 1.0 -21.0 40.0 2
assign (resid 151 and name n) (resid 151 and name ca)
       (resid 151 and name c) (resid 152 and name n) 1.0   3.0 30.0 2
assign (resid 152 and name n) (resid 152 and name ca)
       (resid 152 and name c) (resid 153 and name n) 1.0 120.0 40.0 2
assign (resid 153 and name n) (resid 153 and name ca)
       (resid 153 and name c) (resid 154 and name n) 1.0 155.0 40.0 2
assign (resid 154 and name n) (resid 154 and name ca)
       (resid 154 and name c) (resid 155 and name n) 1.0 120.0 40.0 2 
assign (resid 155 and name n) (resid 155 and name ca)
       (resid 155 and name c) (resid 156 and name n) 1.0 120.0 50.0 2 
assign (resid 156 and name n) (resid 156 and name ca)
       (resid 156 and name c) (resid 157 and name n) 1.0 120.0 30.0 2 
assign (resid 158 and name n) (resid 158 and name ca)
       (resid 158 and name c) (resid 159 and name n) 1.0 140.0 40.0 2
assign (resid 159 and name n) (resid 159 and name ca)
       (resid 159 and name c) (resid 160 and name n) 1.0 140.0 40.0 2
assign (resid 160 and name n) (resid 160 and name ca)
       (resid 160 and name c) (resid 161 and name n) 1.0 120.0 30.0 2
assign (resid 161 and name n) (resid 161 and name ca)
       (resid 161 and name c) (resid 162 and name n) 1.0 140.0 50.0 2
! Chi-1 restraints 
assign (resid   3 and name n)  (resid   3 and name ca)
       (resid   3 and name cb) (resid   3 and name cg) 1.0 -93.0 30.0 2
assign (resid   4 and name n)  (resid   4 and name ca)
       (resid   4 and name cb) (resid   4 and name cg) 1.0 180.0 40.0 2
assign (resid   5 and name n)  (resid   5 and name ca)
       (resid   5 and name cb) (resid   5 and name cg) 1.0 75.0 30.0 2 
assign (resid   7 and name n)  (resid   7 and name ca)
       (resid   7 and name cb) (resid   7 and name cg) 1.0 60.0 30.0 2
assign (resid   8 and name n)  (resid   8 and name ca)
       (resid   8 and name cb) (resid   8 and name cg) 1.0 60.0 30.0 2 
assign (resid   9 and name n)  (resid   9 and name ca)
       (resid   9 and name cb) (resid   9 and name cg) 1.0 60.0 30.0 2 
assign (resid  10 and name n)  (resid  10 and name ca)
       (resid  10 and name cb) (resid  10 and name cg) 1.0 -75.0 30.0 2
assign (resid  12 and name n)  (resid  12 and name ca)
       (resid  12 and name cb) (resid  12 and name cg) 1.0 180.0 40.0 2
assign (resid  13 and name n)  (resid  13 and name ca)
       (resid  13 and name cb) (resid  13 and name cg1) 1.0 60.0 30.0 2
assign (resid  15 and name n)  (resid  15 and name ca)
       (resid  15 and name cb) (resid  15 and name cg) 1.0 180.0 30.0 2
assign (resid  16 and name n)  (resid  16 and name ca)
       (resid  16 and name cb) (resid  16 and name cg) 1.0 -75.0 40.0 2
assign (resid  18 and name n)  (resid  18 and name ca)
       (resid  18 and name cb) (resid  18 and name cg) 1.0 60.0 30.0 2
assign (resid  19 and name n)  (resid  19 and name ca)
       (resid  19 and name cb) (resid  19 and name cg) 1.0 -60.0 40.0 2
assign (resid  21 and name n)  (resid  21 and name ca)
       (resid  21 and name cb) (resid  21 and name cg) 1.0 60.0 30.0 2
assign (resid  22 and name n)  (resid  22 and name ca)
       (resid  22 and name cb) (resid  22 and name cg) 1.0 180.0 30.0 2
assign (resid  23 and name n)  (resid  23 and name ca)
       (resid  23 and name cb) (resid  23 and name cg) 1.0 180.0 40.0 2
assign (resid  25 and name n)  (resid  25 and name ca)
       (resid  25 and name cb) (resid  25 and name cg) 1.0 180.0 40.0 2
assign (resid  26 and name n)  (resid  26 and name ca)
       (resid  26 and name cb) (resid  26 and name cg) 1.0 180.0 30.0 2
assign (resid  27 and name n)  (resid  27 and name ca)
       (resid  27 and name cb) (resid  27 and name cg) 1.0 -75.0 30.0 2 
assign (resid  28 and name n)  (resid  28 and name ca)
       (resid  28 and name cb) (resid  28 and name cg) 1.0 -60.0 40.0 2
assign (resid  29 and name n)  (resid  29 and name ca)
       (resid  29 and name cb) (resid  29 and name cg) 1.0 180.0 30.0 2
assign (resid  30 and name n)  (resid  30 and name ca)
       (resid  30 and name cb) (resid  30 and name cg) 1.0 180.0 30.0 2
assign (resid  31 and name n)  (resid  31 and name ca)
       (resid  31 and name cb) (resid  31 and name cg) 1.0 180.0 40.0 2
assign (resid  33 and name n)  (resid  33 and name ca)
       (resid  33 and name cb) (resid  33 and name cg) 1.0 -75.0 30.0 2
assign (resid  34 and name n)  (resid  34 and name ca)
       (resid  34 and name cb) (resid  34 and name og1) 1.0 60.0 30.0 2
assign (resid  35 and name n)  (resid  35 and name ca)
       (resid  35 and name cb) (resid  35 and name cg1) 1.0 -60.0  30.0 2 
assign (resid  37 and name n)  (resid  37 and name ca)
       (resid  37 and name cb) (resid  37 and name cg)  1.0 -60.0 40.0 2
assign (resid  38 and name n)  (resid  38 and name ca)
       (resid  38 and name cb) (resid  38 and name cg1) 1.0 -60.0 30.0 2
assign (resid  39 and name n)  (resid  39 and name ca)
       (resid  39 and name cb) (resid  39 and name cg) 1.0 180.0 30.0 2 
assign (resid  40 and name n)  (resid  40 and name ca)
       (resid  40 and name cb) (resid  40 and name cg1) 1.0 180.0 30.0 2
assign (resid  41 and name n)  (resid  41 and name ca)
       (resid  41 and name cb) (resid  41 and name cg1) 1.0 -60.0  30.0 2 
assign (resid  45 and name n)  (resid  45 and name ca)
       (resid  45 and name cb) (resid  45 and name og1) 1.0 -63.0 30.0 2
assign (resid  46 and name n)  (resid  46 and name ca)
       (resid  46 and name cb) (resid  46 and name cg)  1.0 180.0 30.0 2
assign (resid  47 and name n)  (resid  47 and name ca)
       (resid  47 and name cb) (resid  47 and name cg) 1.0 -66.0 30.0 2
assign (resid  49 and name n)  (resid  49 and name ca)
       (resid  49 and name cb) (resid  49 and name cg) 1.0 -60.0 30.0 2
assign (resid  54 and name n)  (resid  54 and name ca)
       (resid  54 and name cb) (resid  54 and name cg) 1.0 -60.0 30.0 2
assign (resid  56 and name n)  (resid  56 and name ca)
       (resid  56 and name cb) (resid  56 and name cg) 1.0 -60.0 40.0 2 
assign (resid  57 and name n)  (resid  57 and name ca)
       (resid  57 and name cb) (resid  57 and name cg) 1.0  60.0 40.0 2 
assign (resid  58 and name n)  (resid  58 and name ca)
       (resid  58 and name cb) (resid  58 and name og1) 1.0 -60.0 40.0 2 
assign (resid  59 and name n)  (resid  59 and name ca)
       (resid  59 and name cb) (resid  59 and name cg) 1.0 -60.0 40.0 2
assign (resid  60 and name n)  (resid  60 and name ca)
       (resid  60 and name cb) (resid  60 and name cg1) 1.0 180.0 30.0 2 
assign (resid  61 and name n)  (resid  61 and name ca)
       (resid  61 and name cb) (resid  61 and name cg1) 1.0 180.0 30.0 2 
assign (resid  62 and name n)  (resid  62 and name ca)
       (resid  62 and name cb) (resid  62 and name cg)  1.0 180.0 30.0 2 
assign (resid  63 and name n)  (resid  63 and name ca)
       (resid  63 and name cb) (resid  63 and name og1) 1.0 180.0 30.0 2 
assign (resid  68 and name n)  (resid  68 and name ca)
       (resid  68 and name cb) (resid  68 and name cg) 1.0 180.0 40.0 2
assign (resid  69 and name n)  (resid  69 and name ca)
       (resid  69 and name cb) (resid  69 and name cg) 1.0 -60.0 40.0 2
assign (resid  71 and name n)  (resid  71 and name ca)
       (resid  71 and name cb) (resid  71 and name cg)  1.0 -60.0 30.0 2
assign (resid  74 and name n)  (resid  74 and name ca)
       (resid  74 and name cb) (resid  74 and name cg1) 1.0 180.0 30.0 2
assign (resid  75 and name n)  (resid  75 and name ca)
       (resid  75 and name cb) (resid  75 and name cg1) 1.0 180.0 30.0 2 
assign (resid  76 and name n)  (resid  76 and name ca)
       (resid  76 and name cb) (resid  76 and name cg1) 1.0 -60.0 30.0 2 
assign (resid  77 and name n)  (resid  77 and name ca)
       (resid  77 and name cb) (resid  77 and name cg) 1.0 -60.0 30.0 2
assign (resid  79 and name n)  (resid  79 and name ca)
       (resid  79 and name cb) (resid  79 and name cg1) 1.0 180.0 30.0 2 
assign (resid  82 and name n)  (resid  82 and name ca)
       (resid  82 and name cb) (resid  82 and name cg1) 1.0 180.0 40.0 2 
assign (resid  83 and name n)  (resid  83 and name ca)
       (resid  83 and name cb) (resid  83 and name cg) 1.0 -60.0 30.0 2
assign (resid  85 and name n)  (resid  85 and name ca)
       (resid  85 and name cb) (resid  85 and name cg) 1.0 180.0 30.0 2
assign (resid  89 and name n)  (resid  89 and name ca)
       (resid  89 and name cb) (resid  89 and name cg) 1.0 -66.0 30.0 2
assign (resid  93 and name n)  (resid  93 and name ca)
       (resid  93 and name cb) (resid  93 and name cg)  1.0 -60.0 30.0 2
assign (resid  94 and name n)  (resid  94 and name ca)
       (resid  94 and name cb) (resid  94 and name cg)  1.0 180.0 40.0 2
assign (resid  95 and name n)  (resid  95 and name ca)
       (resid  95 and name cb) (resid  95 and name cg1) 1.0 180.0 30.0 2
assign (resid  96 and name n)  (resid  96 and name ca)
       (resid  96 and name cb) (resid  96 and name cg1) 1.0 -60.0 30.0 2
assign (resid 102 and name n)  (resid 102 and name ca)
       (resid 102 and name cb) (resid 102 and name cg1) 1.0 -60.0 30.0 2
assign (resid 103 and name n)  (resid 103 and name ca)
       (resid 103 and name cb) (resid 103 and name cg) 1.0 -60.0 30.0 2
assign (resid 106 and name n)  (resid 106 and name ca)
       (resid 106 and name cb) (resid 106 and name cg) 1.0 -63.0 30.0 2
assign (resid 108 and name n)  (resid 108 and name ca)
       (resid 108 and name cb) (resid 108 and name cg) 1.0 180.0 40.0 2
assign (resid 109 and name n)  (resid 109 and name ca)
       (resid 109 and name cb) (resid 109 and name cg) 1.0 -66.0 30.0 2
assign (resid 110 and name n)  (resid 110 and name ca)
       (resid 110 and name cb) (resid 110 and name cg1) 1.0 60.0 30.0 2 
assign (resid 112 and name n)  (resid 112 and name ca)
       (resid 112 and name cb) (resid 112 and name og1) 1.0 -60.0 40.0 2
assign (resid 113 and name n)  (resid 113 and name ca)
       (resid 113 and name cb) (resid 113 and name cg) 1.0 -60.0 30.0 2
assign (resid 114 and name n)  (resid 114 and name ca)
       (resid 114 and name cb) (resid 114 and name cg) 1.0 -60.0 30.0 2
assign (resid 116 and name n)  (resid 116 and name ca)
       (resid 116 and name cb) (resid 116 and name og1) 1.0 -39.0 30.0 2
assign (resid 117 and name n)  (resid 117 and name ca)
       (resid 117 and name cb) (resid 117 and name cg)  1.0 -60.0 30.0 2
assign (resid 118 and name n)  (resid 118 and name ca)
       (resid 118 and name cb) (resid 118 and name cg) 1.0 -80.0 30.0 2
assign (resid 122 and name n)  (resid 122 and name ca)
       (resid 122 and name cb) (resid 122 and name cg) 1.0 -60.0 30.0 2
assign (resid 126 and name n)  (resid 126 and name ca)
       (resid 126 and name cb) (resid 126 and name og1) 1.0 -60.0 30.0 2
assign (resid 127 and name n)  (resid 127 and name ca)
       (resid 127 and name cb) (resid 127 and name cg) 1.0 -60.0 30.0 2
assign (resid 128 and name n)  (resid 128 and name ca)
       (resid 128 and name cb) (resid 128 and name cg) 1.0 180.0 40.0 2
assign (resid 129 and name n)  (resid 129 and name ca)
       (resid 129 and name cb) (resid 129 and name cg1) 1.0 63.0 30.0 2
assign (resid 131 and name n)  (resid 131 and name ca)
       (resid 131 and name cb) (resid 131 and name cg) 1.0 -75.0 30.0 2
assign (resid 132 and name n)  (resid 132 and name ca)
       (resid 132 and name cb) (resid 132 and name cg) 1.0 180.0 30.0 2
assign (resid 133 and name n)  (resid 133 and name ca)
       (resid 133 and name cb) (resid 133 and name cg) 1.0 -60.0 30.0 2
assign (resid 136 and name n)  (resid 136 and name ca)
       (resid 136 and name cb) (resid 136 and name cg) 1.0 -60.0 30.0 2
assign (resid 137 and name n)  (resid 137 and name ca)
       (resid 137 and name cb) (resid 137 and name og1) 1.0 -60.0 30.0 2
assign (resid 138 and name n)  (resid 138 and name ca)
       (resid 138 and name cb) (resid 138 and name cg) 1.0 -165.0 30.0 2
assign (resid 139 and name n)  (resid 139 and name ca)
       (resid 139 and name cb) (resid 139 and name cg1) 1.0 -60.0 40.0 2
assign (resid 142 and name n)  (resid 142 and name ca)
       (resid 142 and name cb) (resid 142 and name cg) 1.0 180.0 40.0 2
assign (resid 143 and name n)  (resid 143 and name ca)
       (resid 143 and name cb) (resid 143 and name og1) 1.0 -60.0 40.0 2
assign (resid 146 and name n)  (resid 146 and name ca)
       (resid 146 and name cb) (resid 146 and name cg) 1.0 -171.0 30.0 2
assign (resid 147 and name n)  (resid 147 and name ca)
       (resid 147 and name cb) (resid 147 and name og1) 1.0 60.0 30.0 2
assign (resid 148 and name n)  (resid 148 and name ca)
       (resid 148 and name cb) (resid 148 and name cg) 1.0 180.0 40.0 2
assign (resid 151 and name n)  (resid 151 and name ca)
       (resid 151 and name cb) (resid 151 and name cg) 1.0 -60.0 30.0 2
assign (resid 153 and name n)  (resid 153 and name ca)
       (resid 153 and name cb) (resid 153 and name cg) 1.0 60.0 30.0 2
assign (resid 155 and name n)  (resid 155 and name ca)
       (resid 155 and name cb) (resid 155 and name cg) 1.0 -60.0 30.0 2
assign (resid 156 and name n)  (resid 156 and name ca)
       (resid 156 and name cb) (resid 156 and name cg) 1.0 -60.0 30.0 2
assign (resid 157 and name n)  (resid 157 and name ca)
       (resid 157 and name cb) (resid 157 and name cg1) 1.0 180.0 30.0 2
assign (resid 158 and name n)  (resid 158 and name ca)
       (resid 158 and name cb) (resid 158 and name cg) 1.0 -60.0 30.0 2
assign (resid 159 and name n)  (resid 159 and name ca)
       (resid 159 and name cb) (resid 159 and name cg) 1.0 -60.0 30.0 2
assign (resid 160 and name n)  (resid 160 and name ca)
       (resid 160 and name cb) (resid 160 and name cg) 1.0 180.0 30.0 2
!Chi-2 constraints
assign (resid  19 and name ca)  (resid  19 and name cb)
       (resid  19 and name cg)  (resid  19 and name cd1) 1.0 180.0 40.0 2
assign (resid  54 and name ca)  (resid  54 and name cb)
       (resid  54 and name cg)  (resid  54 and name cd1) 1.0 180.0 40.0 2
assign (resid  57 and name ca)  (resid  57 and name cb)
       (resid  57 and name cg)  (resid  57 and name cd ) 1.0 180.0 40.0 2
assign (resid 102 and name ca)  (resid 102 and name cb)
       (resid 102 and name cg1) (resid 102 and name cd1) 1.0 -60.0 40.0 2
!Constraints for TMQ residue - results of AngleSearch analysis
assign (resid 170 and name c5 ) (resid 170 and name c6 )
       (resid 170 and name c9 ) (resid 170 and name n10)  1.0  170.0 30.0 2
assign (resid 170 and name c6 ) (resid 170 and name c9 )
       (resid 170 and name n10) (resid 170 and name c11)  1.0   90.0 30.0 2
!Constraints to keep TMQ trimethoxyphenyl substituents almost planar
assign (resid 170 and name c21) (resid 170 and name o18)
       (resid 170 and name c13) (resid 170 and name c12)  1.0   0.0 20.0 2
assign (resid 170 and name c23) (resid 170 and name o20)
       (resid 170 and name c15) (resid 170 and name c16)  1.0   0.0 20.0 2
assign (resid 170 and name c9 ) (resid 170 and name n10)
       (resid 170 and name c11) (resid 170 and name c12)  1.0   0.0 20.0 2
!Constraints to specifiy geometry TMQ/Asp-26 interaction
assign (resid  26 and name od2) (resid  26 and name cg )
       (resid  26 and name od1) (resid 170 and name n1 )  1.0   0.0 30.0 2
assign (resid  26 and name od1) (resid  26 and name cg )
       (resid  26 and name od2) (resid 170 and name n24)  1.0   0.0 30.0 2
assign (resid 170 and name n24) (resid 170 and name c2 )
       (resid  26 and name n1 ) (resid  26 and name od1)  1.0   0.0 30.0 2
assign (resid 170 and name n1 ) (resid 170 and name c2 )
       (resid  26 and name n24) (resid  26 and name od2)  1.0   0.0 30.0 2




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