NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing in_recoord stage position program type subtype subsubtype
2231 1bla 4091 cing recoord 1-original 3 XPLOR/CNS distance NOE simple


!BETA SHEET CONSTRAINTS
assign (resid   30 and  name HA   )(resid  152 and  name HA   ) 2.5 0.7 0.2
assign (resid   31 and  name HN   )(resid  151 and  name HN   ) 3.3 0.8 0.2
! Very Weak NOE
assign (resid   32 and  name HA   )(resid  151 and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid  150 and  name HA   ) 2.5 0.7 0.2
assign (resid   33 and  name HN   )(resid  150 and  name HA   ) 3.3 0.8 0.2
assign (resid   33 and  name HN   )(resid  149 and  name HN   ) 3.3 0.8 0.2
! 34 is at end of strand
assign (resid   34 and  name HA   )(resid  149 and  name HN   ) 4.0 2.2 1.0
assign (resid   34 and  name HA   )(resid  148 and  name HA   ) 2.5 0.7 0.2
assign (resid   35 and  name HN   )(resid  148 and  name HA   ) 3.3 0.6 0.2
assign (resid   39 and  name HN   )(resid   34 and  name HN   ) 3.3 0.8 0.2
assign (resid   40 and  name HA   )(resid   34 and  name HN   ) 3.3 0.8 0.2
assign (resid   40 and  name HA   )(resid   33 and  name HA   ) 2.5 0.7 0.2
! Overlap peak
assign (resid   41 and  name HN   )(resid   33 and  name HA   ) 4.0 2.2 1.0
! 53,39 At end of strand
assign (resid   39 and  name HA   )(resid   53 and  name HA   ) 3.0 1.2 0.3
assign (resid   40 and  name HN   )(resid   53 and  name HA   ) 3.3 0.8 0.2
assign (resid   40 and  name HN   )(resid   52 and  name HN   ) 3.3 0.8 0.2
!Not standard NOE across H-bond very weak
assign (resid   39 and  name HA   )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid   41 and  name HA   )(resid   51 and  name HA1  ) 2.5 1.7 1.2  
assign (resid   42 and  name HN   )(resid   51 and  name HA1  ) 3.3 1.8 1.2  
assign (resid   42 and  name HN   )(resid   51 and  name HA2  ) 3.3 1.8 1.2  
assign (resid   42 and  name HN   )(resid   50 and  name HN   ) 3.3 0.8 0.2
assign (resid   43 and  name HA   )(resid   50 and  name HN   ) 3.3 0.8 0.2
assign (resid   43 and  name HA   )(resid   49 and  name HA   ) 2.5 0.7 0.2
assign (resid   44 and  name HN   )(resid   49 and  name HA   ) 3.3 0.8 0.2
! Both 44 and 48 are at end of strand before turn
assign (resid   44 and  name HN   )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   62 and  name HA   )(resid   77 and  name HN   ) 3.3 0.8 0.2
assign (resid   62 and  name HA   )(resid   76 and  name HA#  ) 2.5 1.7 1.2  
assign (resid   63 and  name HN   )(resid   75 and  name HN   ) 3.3 0.8 0.2
assign (resid   64 and  name HA   )(resid   75 and  name HN   ) 3.3 0.8 0.2
assign (resid   64 and  name HA   )(resid   74 and  name HA   ) 2.5 0.7 0.2
assign (resid   65 and  name HN   )(resid   74 and  name HA   ) 3.3 0.8 0.2
assign (resid   65 and  name HN   )(resid   73 and  name HN   ) 3.3 0.8 0.2
!Very weak and unusual NOE
assign (resid   65 and  name HN   )(resid   72 and  name HA   ) 4.0 2.2 1.0
assign (resid   66 and  name HA   )(resid   73 and  name HN   ) 3.3 0.8 0.2
assign (resid   66 and  name HA   )(resid   72 and  name HA   ) 2.5 0.7 0.2
assign (resid   67 and  name HN   )(resid   72 and  name HA   ) 3.3 0.8 0.2
assign (resid   76 and  name HN   )(resid   81 and  name HN   ) 3.3 0.8 0.2
assign (resid   76 and  name HN   )(resid   82 and  name HA   ) 3.3 0.8 0.2
assign (resid   75 and  name HA   )(resid   82 and  name HA   ) 2.5 0.7 0.2
assign (resid   75 and  name HA   )(resid   83 and  name HN   ) 3.3 0.8 0.2
!assign (resid 74 and name hn) (resid 84 and name ha) 3.3 0.8 0.2
!assign (resid 73 and name ha) (resid 84 and name ha) 2.5 0.7 0.2
assign (resid   81 and  name HA   )(resid   95 and  name HA   ) 2.5 0.7 0.2
assign (resid   82 and  name HN   )(resid   95 and  name HA   ) 3.3 0.8 0.2
assign (resid   82 and  name HN   )(resid   94 and  name HN   ) 3.3 0.8 0.2
! 83 HA to 94 HN NOE very weak
assign (resid   83 and  name HA   )(resid   94 and  name HN   ) 4.0 2.2 1.0
assign (resid   83 and  name HA   )(resid   93 and  name HA   ) 2.5 0.7 0.2
assign (resid   84 and  name HN   )(resid   93 and  name HA   ) 3.3 0.8 0.2
assign (resid   84 and  name HN   )(resid   92 and  name HN   ) 3.3 0.8 0.2
assign (resid   85 and  name HA   )(resid   92 and  name HN   ) 3.3 0.8 0.2
! 86 HN to 92 HN unusual NOE across H-bond
assign (resid   86 and  name HN   )(resid   92 and  name HN   ) 4.0 2.2 1.0
assign (resid   85 and  name HA   )(resid   91 and  name HA   ) 2.5 0.7 0.2
assign (resid   86 and  name HN   )(resid   91 and  name HA   ) 3.3 0.8 0.2
! 103 at end of strand
assign (resid  103 and  name HA   )(resid  117 and  name HA   ) 3.0 1.2 0.3
assign (resid  103 and  name HA   )(resid  118 and  name HN   ) 3.3 0.8 0.2
! End of Beta sheet
assign (resid  104 and  name HN   )(resid  117 and  name HA   ) 4.0 2.2 1.0
! Weak NOE
assign (resid  104 and  name HN   )(resid  116 and  name HN   ) 4.0 2.2 1.0
assign (resid  105 and  name HA   )(resid  115 and  name HA   ) 2.5 0.7 0.2
assign (resid  106 and  name HN   )(resid  114 and  name HN   ) 3.3 0.8 0.2
assign (resid  107 and  name HA   )(resid  114 and  name HN   ) 3.3 0.8 0.2
assign (resid  107 and  name HA   )(resid  113 and  name HA   ) 2.5 0.7 0.2
assign (resid  108 and  name HN   )(resid  113 and  name HA   ) 3.3 0.8 0.2
!Weird NOE only one way
assign (resid  117 and  name HN   )(resid  123 and  name HN   ) 4.0 2.2 1.0
assign (resid  117 and  name HN   )(resid  124 and  name HA   ) 3.3 0.8 0.2
assign (resid  116 and  name HA   )(resid  124 and  name HA   ) 2.5 0.7 0.2
assign (resid  116 and  name HA   )(resid  125 and  name HN   ) 3.3 0.6 0.2
!assign (resid 115 and name hn) (resid 126 and name ha) 3.3 0.8 0.2
!assign (resid 114 and name ha) (resid 126 and name ha) 2.5 0.7 0.2


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