NMR Restraints Grid

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

image mrblock_id pdb_id cing in_recoord stage position program type subtype subsubtype
2369 1bu9 cing recoord 1-original 1 XPLOR/CNS distance hydrogen bond simple


!str=2.5 0.7 0.2 (2.5 0.7 0.4 for HN)
!med=3.0 1.2 0.5 (3.0 1.2 0.7 for HN)
!weak=4.0 2.2 1.0 
!very weak=5.0 3.2 1.0
!add 1.5 for noes involving methyl group
!add 1 for noes involving nonstereo CH2 
!!HIS75 and HIS108 have HISE
!!hbonds for p18 sheets
assign (resid   35 and  name N    )(resid   39 and  name O   ) 3.3 0.8 0.2
assign (resid   67 and  name N    )(resid   71 and  name O   ) 3.3 0.8 0.2
assign (resid   72 and  name N    )(resid   99 and  name O   ) 3.3 0.8 0.2
assign (resid  100 and  name N    )(resid  104 and  name O   ) 3.3 0.8 0.2
assign (resid  134 and  name N    )(resid  138 and  name O   ) 3.3 0.8 0.2
assign (resid   35 and  name HN   )(resid   39 and  name O   ) 2.3 0.8 0.2
assign (resid   67 and  name HN   )(resid   71 and  name O   ) 2.3 0.8 0.2
assign (resid   72 and  name HN   )(resid   99 and  name O   ) 2.3 0.8 0.2
assign (resid  100 and  name HN   )(resid  104 and  name O   ) 2.3 0.8 0.2
assign (resid  134 and  name HN   )(resid  138 and  name O   ) 2.3 0.8 0.2
!!hbonds for p18 helix
!assign (resid   7 and  name O    )(resid   11 and  name N   ) 3.3 0.8 0.2
assign (resid   8 and  name O    )(resid   12 and  name N   ) 3.3 0.8 0.2
assign (resid   9 and  name O    )(resid   13 and  name N   ) 3.3 0.8 0.2
assign (resid   10 and  name O    )(resid   14 and  name N   ) 3.3 0.8 0.2
assign (resid   11 and  name O    )(resid   15 and  name N   ) 3.3 0.8 0.2
assign (resid   18 and  name O    )(resid   22 and  name N   ) 3.3 0.8 0.2
assign (resid   19 and  name O    )(resid   23 and  name N   ) 3.3 0.8 0.2
assign (resid   20 and  name O    )(resid   24 and  name N   ) 3.3 0.8 0.2
assign (resid   21 and  name O    )(resid   25 and  name N   ) 3.3 0.8 0.2
assign (resid   22 and  name O    )(resid   26 and  name N   ) 3.3 0.8 0.2
assign (resid   50 and  name O    )(resid   51 and  name N   ) 3.3 0.8 0.2
assign (resid   51 and  name O    )(resid   55 and  name N   ) 3.3 0.8 0.2
assign (resid   52 and  name O    )(resid   56 and  name N   ) 3.3 0.8 0.2
assign (resid   53 and  name O    )(resid   57 and  name N   ) 3.3 0.8 0.2
assign (resid   54 and  name O    )(resid   58 and  name N   ) 3.3 0.8 0.2
assign (resid   73 and  name O    )(resid   77 and  name N   ) 3.3 0.8 0.2
assign (resid   74 and  name O    )(resid   78 and  name N   ) 3.3 0.8 0.2
assign (resid   75 and  name O    )(resid   79 and  name N   ) 3.3 0.8 0.2
assign (resid   83 and  name O    )(resid   87 and  name N   ) 3.3 0.8 0.2
assign (resid   84 and  name O    )(resid   88 and  name N   ) 3.3 0.8 0.2
assign (resid   85 and  name O    )(resid   89 and  name N   ) 3.3 0.8 0.2
assign (resid   86 and  name O    )(resid   90 and  name N   ) 3.3 0.8 0.2
assign (resid   87 and  name O    )(resid   91 and  name N   ) 3.3 0.8 0.2
assign (resid  106 and  name O    )(resid  110 and  name N   ) 3.3 0.8 0.2
assign (resid  107 and  name O    )(resid  111 and  name N   ) 3.3 0.8 0.2
assign (resid  108 and  name O    )(resid  112 and  name N   ) 3.3 0.8 0.2
assign (resid  116 and  name O    )(resid  120 and  name N   ) 3.3 0.8 0.2
assign (resid  117 and  name O    )(resid  121 and  name N   ) 3.3 0.8 0.2
assign (resid  118 and  name O    )(resid  122 and  name N   ) 3.3 0.8 0.2
assign (resid  119 and  name O    )(resid  123 and  name N   ) 3.3 0.8 0.2
assign (resid  120 and  name O    )(resid  124 and  name N   ) 3.3 0.8 0.2
assign (resid  140 and  name O    )(resid  144 and  name N   ) 3.3 0.8 0.2
assign (resid  141 and  name O    )(resid  145 and  name N   ) 3.3 0.8 0.2
assign (resid  142 and  name O    )(resid  146 and  name N   ) 3.3 0.8 0.2
assign (resid  143 and  name O    )(resid  147 and  name N   ) 3.3 0.8 0.2
assign (resid  150 and  name O    )(resid  154 and  name N   ) 3.3 0.8 0.2
assign (resid  151 and  name O    )(resid  155 and  name N   ) 3.3 0.8 0.2
assign (resid  152 and  name O    )(resid  156 and  name N   ) 3.3 0.8 0.2
assign (resid  153 and  name O    )(resid  157 and  name N   ) 3.3 0.8 0.2
assign (resid  154 and  name O    )(resid  158 and  name N   ) 3.3 0.8 0.2

assign (resid    8 and  name O    )(resid   12 and  name HN   ) 2.3 0.8 0.2
assign (resid    9 and  name O    )(resid   13 and  name HN   ) 2.3 0.8 0.2
assign (resid   10 and  name O    )(resid   14 and  name HN   ) 2.3 0.8 0.2
assign (resid   11 and  name O    )(resid   15 and  name HN   ) 2.3 0.8 0.2
assign (resid   18 and  name O    )(resid   22 and  name HN   ) 2.3 0.8 0.2
assign (resid   19 and  name O    )(resid   23 and  name HN   ) 2.3 0.8 0.2
assign (resid   20 and  name O    )(resid   24 and  name HN   ) 2.3 0.8 0.2
assign (resid   21 and  name O    )(resid   25 and  name HN   ) 2.3 0.8 0.2
assign (resid   22 and  name O    )(resid   26 and  name HN   ) 2.3 0.8 0.2
assign (resid   50 and  name O    )(resid   54 and  name HN   ) 2.3 0.8 0.2
assign (resid   51 and  name O    )(resid   55 and  name HN   ) 2.3 0.8 0.2
assign (resid   52 and  name O    )(resid   56 and  name HN   ) 2.3 0.8 0.2
assign (resid   53 and  name O    )(resid   57 and  name HN   ) 2.3 0.8 0.2
assign (resid   54 and  name O    )(resid   58 and  name HN   ) 2.3 0.8 0.2
assign (resid   73 and  name O    )(resid   77 and  name HN   ) 2.3 0.8 0.2
assign (resid   74 and  name O    )(resid   78 and  name HN   ) 2.3 0.8 0.2
assign (resid   75 and  name O    )(resid   79 and  name HN   ) 2.3 0.8 0.2
assign (resid   83 and  name O    )(resid   87 and  name HN   ) 2.3 0.8 0.2
assign (resid   84 and  name O    )(resid   88 and  name HN   ) 2.3 0.8 0.2
assign (resid   85 and  name O    )(resid   89 and  name HN   ) 2.3 0.8 0.2
assign (resid   86 and  name O    )(resid   90 and  name HN   ) 2.3 0.8 0.2
assign (resid   87 and  name O    )(resid   91 and  name HN   ) 2.3 0.8 0.2
assign (resid  106 and  name O    )(resid  110 and  name HN   ) 2.3 0.8 0.2
assign (resid  107 and  name O    )(resid  111 and  name HN   ) 2.3 0.8 0.2
assign (resid  108 and  name O    )(resid  112 and  name HN   ) 2.3 0.8 0.2
assign (resid  116 and  name O    )(resid  120 and  name HN   ) 2.3 0.8 0.2
assign (resid  117 and  name O    )(resid  121 and  name HN   ) 2.3 0.8 0.2
assign (resid  118 and  name O    )(resid  122 and  name HN   ) 2.3 0.8 0.2
assign (resid  119 and  name O    )(resid  123 and  name HN   ) 2.3 0.8 0.2
assign (resid  120 and  name O    )(resid  124 and  name HN   ) 2.3 0.8 0.2
assign (resid  140 and  name O    )(resid  144 and  name HN   ) 2.3 0.8 0.2
assign (resid  141 and  name O    )(resid  145 and  name HN   ) 2.3 0.8 0.2
assign (resid  142 and  name O    )(resid  146 and  name HN   ) 2.3 0.8 0.2
assign (resid  143 and  name O    )(resid  147 and  name HN   ) 2.3 0.8 0.2
assign (resid  150 and  name O    )(resid  154 and  name HN   ) 2.3 0.8 0.2
assign (resid  151 and  name O    )(resid  155 and  name HN   ) 2.3 0.8 0.2
assign (resid  152 and  name O    )(resid  156 and  name HN   ) 2.3 0.8 0.2
assign (resid  153 and  name O    )(resid  157 and  name HN   ) 2.3 0.8 0.2
assign (resid  154 and  name O    )(resid  158 and  name HN   ) 2.3 0.8 0.2



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