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
5972 1i98 5020 cing 1-original 5 XPLOR/CNS chemical shift


!Ca and Cb chemical shifts
!cacb.tbl
!C1
assign (resid   1 and name c ) (resid   2 and name n )
       (resid   2 and name ca) (resid   2 and name c )
       (resid   3 and name n )                           54.45 39.59
!R2
assign (resid   2 and name c ) (resid   3 and name n )
       (resid   3 and name ca) (resid   3 and name c )
       (resid   4 and name n )                            52.11 24.31
!W3
assign (resid   3 and name c ) (resid   4 and name n )
       (resid   4 and name ca) (resid   4 and name c )
       (resid   5 and name n )                            52.99 26.57
!L4
assign (resid   4 and name c ) (resid   5 and name n )
       (resid   5 and name ca) (resid   5 and name c )
       (resid   6 and name n )                            53.27 41.23
!R5
assign (resid   5 and name c ) (resid   6 and name n )
       (resid   6 and name ca) (resid   6 and name c )
       (resid   7 and name n )                            54.01 24.75
!G6
assign (resid   6 and name c ) (resid   7 and name n )
       (resid   7 and name ca) (resid   7 and name c )
       (resid   8 and name n )                            42.87 0.0
!D7
assign (resid   7 and name c ) (resid   8 and name n )
       (resid   8 and name ca) (resid   8 and name c )
       (resid   9 and name n )                            53.68 37.13
!W8
assign (resid   8 and name c ) (resid   9 and name n )
       (resid   9 and name ca) (resid   9 and name c )
       (resid   10 and name n )                           49.86 26.57
!Q10
assign (resid   10 and name c ) (resid   11 and name n )
       (resid   11 and name ca) (resid   11 and name c )
       (resid   12 and name n )                           53.29 31.42 
!C11
assign (resid   11 and name c ) (resid   12 and name n )
       (resid   12 and name ca) (resid   12 and name c )
       (resid   13 and name n )                           53.02 40.70





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Friday, March 29, 2024 2:47:45 PM GMT (wattos1)