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 subtype subsubtype
605672 2n9y 25920 cing 1-original 2 XPLOR/CNS distance NOE simple


! a2b NH to b3P all

assign (resid  967 and name HE1 ) (resid  968 and name HE1 )  3.0  2.2  0.5 !
assign (resid  967 and name HE1 ) (resid  967 and name HN  )  4.0  2.2  1.0 !
assign (resid  967 and name HE1 ) (resid  968 and name HN  )  4.0  2.2  1.0 !

assign (resid  968 and name HE1 ) (resid  968 and name HN  )  4.0  2.2  1.0 !
assign (resid  968 and name HE1 ) (resid  693 and name HD1#)  3.0  2.2  1.0 !
assign (resid  968 and name HE1 ) (resid  693 and name HG2#)  3.0  2.2  1.0 !
assign (resid  968 and name HE1 ) (resid  693 and name HG11)  4.0  2.2  1.0 !
assign (resid  968 and name HE1 ) (resid  693 and name HG12)  4.0  2.2  1.0 !                

assign (resid  972 and name   HN) (resid  697 and name HD1#)  4.0  2.2  1.5 !
assign (resid  972 and name   HN) (resid  700 and name HG1#)  4.0  2.2  1.5 !
assign (resid  973 and name   HN) (resid  700 and name HG1#)  4.0  2.2  1.5 !    
assign (resid  973 and name   HN) (resid  700 and name HG2#)  4.0  2.2  1.5 ! 

assign (resid  975 and name   HN) (resid  701 and name HE# )  4.0  2.2  1.5 ! 
assign (resid  975 and name   HN) (resid  701 and name HG1 )  4.0  2.2  1.0 ! 
assign (resid  975 and name   HN) (resid  701 and name HG2 )  4.0  2.2  1.0 ! 

assign (resid  976 and name   HN) (resid  701 and name HE# )  3.0  2.2  0.5 ! 
assign (resid  976 and name   HN) (resid  701 and name HG1 )  3.0  2.2  0.5 ! 
assign (resid  976 and name   HN) (resid  701 and name HG2 )  3.0  2.2  0.5 ! 
assign (resid  976 and name   HN) (resid  701 and name HB1 )  4.0  2.2  1.0 !
assign (resid  976 and name   HN) (resid  701 and name HB2 )  4.0  2.2  1.0 !  
assign (resid  976 and name   HN) (resid  701 and name HA  )  4.0  2.2  1.0 ! 
assign (resid  976 and name   HN) (resid  704 and name HG2#)  4.0  2.2  1.5 !   

assign (resid  977 and name   HN) (resid  704 and name HG2#)  4.0  2.2  1.5 !   
assign (resid  977 and name   HN) (resid  704 and name HG11)  4.0  2.2  1.0 !
assign (resid  977 and name   HN) (resid  704 and name HG12)  4.0  2.2  1.0 !   

! b3P NH to a2b all

assign (resid  701 and name HN  ) (resid  972 and name HA# )  4.0  2.2  1.0 !
assign (resid  701 and name HN  ) (resid  976 and name HA# )  4.0  2.2  1.0 !  

assign (resid  708 and name HN  ) (resid  980 and name HD1#)  4.0  2.2  1.5 ! 
assign (resid  708 and name HN  ) (resid  980 and name HG# )  4.0  2.2  1.0 ! 

assign (resid  715 and name HE1 ) (resid  993 and name HA  )  4.0  2.2  1.0 ! 
assign (resid  715 and name HE1 ) (resid  993 and name HB# )  4.0  2.2  1.0 !

! aromatic 

assign (resid  712 and name HB# ) (resid  993 and name HE# )  4.0  2.2  1.0 !
assign (resid  712 and name HD1#) (resid  993 and name HE# )  4.0  2.2  1.0 !  

! salt bridge in bicelles confirmed by KXY measurement

assign (resid  995 and name HH2#) (resid  723 and name OD1)   1.9  0.1  0.8 
assign (resid  995 and name HH1#) (resid  723 and name OD2)   1.9  0.1  0.8 



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