NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
8949 1n66 cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


!restraints from spectra in 90%H20 / 10%D2O
!==========================================
! Base pairing in GAAAloop
! ------------------------
! G10-A13
assign (resid 13 and name H61) (resid 10 and name N3) 2.0 0.2 0.5

! Base pairing in stem
!----------------------
! Distances from Saenger p.123
! G1-C22
assign (resi    1  and name   N1)    (resi   22  and name   N3)    2.95     0.6     0.6
assign (resi    1  and name   O6)    (resi   22  and name   N4)    2.91     0.6     0.6
assign (resi    1  and name   N2)    (resi   22  and name   O2)    2.86     0.6     0.6
! G2-C21
assign (resi    2  and name   N1)    (resi   21  and name   N3)    2.95     0.6     0.6
assign (resi    2  and name   O6)    (resi   21  and name   N4)    2.91     0.6     0.6
assign (resi    2  and name   N2)    (resi   21  and name   O2)    2.86     0.6     0.6
!A3-U20
assign (resi    3  and name   N1)    (resi   20 and name    N3)    2.82     0.1     0.1
assign (resi    3  and name   N6)    (resi   20 and name    O4)    2.95     0.1     0.1
!C4-G19
assign (resi    4  and name   N3)    (resi   19  and name   N1)    2.95     0.6     0.6
assign (resi    4  and name   N4)    (resi   19  and name   O6)    2.91     0.6     0.6
assign (resi    4  and name   O2)    (resi   19  and name   N2)    2.86     0.6     0.6
!C5-U18
!U6-U17
assign (resi    6  and name   N3)    (resi   17  and name   O2)    2.9      0.6     0.6 
assign (resi    6  and name   O4)    (resi   17  and name   N3)    2.9      0.6     0.6 
!C7-G16
assign (resi    7  and name   N3)    (resi   16  and name   N1)    2.95     0.6     0.6
assign (resi    7  and name   N4)    (resi   16  and name   O6)    2.91     0.6     0.6
assign (resi    7  and name   O2)    (resi   16  and name   N2)    2.86     0.6     0.6
!U8-A15
assign (resi    8  and name   N3)    (resi   15 and name    N1)    2.82     0.1     0.1
assign (resi    8  and name   O4)    (resi   15 and name    N6)    2.95     0.1     0.1
!C9-G14
assign (resi    9  and name   N3)    (resi   14  and name   N1)    2.95     0.6     0.6
assign (resi    9  and name   N4)    (resi   14  and name   O6)    2.91     0.6     0.6
assign (resi    9  and name   O2)    (resi   14  and name   N2)    2.86     0.6     0.6


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