NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
11090 1qwb cing 1-original 6 XPLOR/CNS dipolar coupling


!RDC for SNRE: 1.12.2002
!1DCH derived from signal splitting in F2
!error was estimated to be 10 %
!the smallest error is however estimated to be 1.5 Hz

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 2   and name H8  )
        ( resid 2   and name C8  )  17.73  1.8  1.8

assign ( resid 500 and name OO  )
       ( resid 500 and name Z   )
       ( resid 500 and name X   )
       ( resid 500 and name Y   )
       ( resid 7   and name H8  )
       ( resid 7   and name C8  )  22.13  2.2  2.2

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 9   and name H2  )
        ( resid 9   and name C2  )  26.97  2.7  2.7

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 10  and name H8  )
        ( resid 10  and name C8  )  23.24  2.3  2.3

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 10  and name H2  )
        ( resid 10  and name C2  )  21.88  2.2  2.2

!assign  ( resid 500 and name OO  )
!        ( resid 500 and name Z   )
!        ( resid 500 and name X   )
!        ( resid 500 and name Y   )
!        ( resid 11  and name H6  )
!        ( resid 11  and name C6  )   -3.77  1.5  1.5  !exception in error *
!
!assign  ( resid 500 and name OO  )
!        ( resid 500 and name Z   )
!        ( resid 500 and name X   )
!        ( resid 500 and name Y   )
!        ( resid 11  and name H5  )
!        ( resid 11  and name C5  )   -1.12  1.5  1.5 !exception in error *
!
!assign  ( resid 500 and name OO  )
!        ( resid 500 and name Z   )
!        ( resid 500 and name X   )
!        ( resid 500 and name Y   )
!        ( resid 12  and name H6  )
!        ( resid 12  and name C6  )    5.42  1.5  1.5 !exception in error  *
!
!assign  ( resid 500 and name OO  )
!        ( resid 500 and name Z   )
!        ( resid 500 and name X   )
!        ( resid 500 and name Y   )
!        ( resid 13  and name H6  )
!        ( resid 13  and name C6  )   12.06  1.5  1.5 !exception in error *
!
!assign  ( resid 500 and name OO  )
!        ( resid 500 and name Z   )
!        ( resid 500 and name X   )
!        ( resid 500 and name Y   )
!        ( resid 14  and name H6  )
!        ( resid 14  and name C6  )   17.41  1.7  1.7
!
!assign  ( resid 500 and name OO  )
!        ( resid 500 and name Z   )
!        ( resid 500 and name X   )
!        ( resid 500 and name Y   )
!        ( resid 16  and name H2  )
!        ( resid 16  and name C2  )   20.71  2.1  2.1

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 17  and name H2  )
        ( resid 17  and name C2  )   26.39  2.6  2.6

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 21  and name H8  )
        ( resid 21  and name C8  )   27.78  2.8  2.8

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 23  and name H8  )
        ( resid 23  and name C8  )   24.46  2.4  2.4

assign  ( resid 500 and name OO  )
        ( resid 500 and name Z   )
        ( resid 500 and name X   )
        ( resid 500 and name Y   )
        ( resid 26  and name H6  )
        ( resid 26  and name C6  )   28.79  2.9  2.9



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