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
599449 2n9q 25915 cing 1-original 3 XPLOR/CNS distance hydrogen bond simple


! Hydrogen bonds
!
!
! G2A-G4A
assign (resid 2 and name N2  and segid A) (resid 4 and name N7 and segid A) 2.9 0.5 0.4
assign (resid 2 and name H22 and segid A) (resid 4 and name N7 and segid A) 1.9 0.4 0.4
assign (resid 2 and name N1  and segid A) (resid 4 and name O6 and segid A) 2.9 0.5 0.4
assign (resid 2 and name H1  and segid A) (resid 4 and name O6 and segid A) 1.9 0.4 0.4
!
! G4A-G2B
assign (resid 4 and name N2  and segid A) (resid 2 and name N7 and segid B) 2.9 0.5 0.4
assign (resid 4 and name H22 and segid A) (resid 2 and name N7 and segid B) 1.9 0.4 0.4
assign (resid 4 and name N1  and segid A) (resid 2 and name O6 and segid B) 2.9 0.5 0.4
assign (resid 4 and name H1  and segid A) (resid 2 and name O6 and segid B) 1.9 0.4 0.4
!
! G2B-G4B
assign (resid 2 and name N2  and segid B) (resid 4 and name N7 and segid B) 2.9 0.5 0.4
assign (resid 2 and name H22 and segid B) (resid 4 and name N7 and segid B) 1.9 0.4 0.4
assign (resid 2 and name N1  and segid B) (resid 4 and name O6 and segid B) 2.9 0.5 0.4
assign (resid 2 and name H1  and segid B) (resid 4 and name O6 and segid B) 1.9 0.4 0.4
!
! G4B-G2A
assign (resid 4 and name N2  and segid B) (resid 2 and name N7 and segid A) 2.9 0.5 0.4
assign (resid 4 and name H22 and segid B) (resid 2 and name N7 and segid A) 1.9 0.4 0.4
assign (resid 4 and name N1  and segid B) (resid 2 and name O6 and segid A) 2.9 0.5 0.4
assign (resid 4 and name H1  and segid B) (resid 2 and name O6 and segid A) 1.9 0.4 0.4
!
!
! G1A-G5A
assign (resid 1 and name N7 and segid A) (resid 5 and name N2  and segid A) 2.9 0.5 0.4
assign (resid 1 and name N7 and segid A) (resid 5 and name H22 and segid A) 1.9 0.4 0.4
assign (resid 1 and name O6 and segid A) (resid 5 and name N1  and segid A) 2.9 0.5 0.4
assign (resid 1 and name O6 and segid A) (resid 5 and name H1  and segid A) 1.9 0.4 0.4
!
! G5A-G1B
assign (resid 5 and name N7 and segid A) (resid 1 and name N2  and segid B) 2.9 0.5 0.4
assign (resid 5 and name N7 and segid A) (resid 1 and name H22 and segid B) 1.9 0.4 0.4
assign (resid 5 and name O6 and segid A) (resid 1 and name N1  and segid B) 2.9 0.5 0.4
assign (resid 5 and name O6 and segid A) (resid 1 and name H1  and segid B) 1.9 0.4 0.4
!
! G1B-G5B
assign (resid 1 and name N7 and segid B) (resid 5 and name N2  and segid B) 2.9 0.5 0.4
assign (resid 1 and name N7 and segid B) (resid 5 and name H22 and segid B) 1.9 0.4 0.4
assign (resid 1 and name O6 and segid B) (resid 5 and name N1  and segid B) 2.9 0.5 0.4
assign (resid 1 and name O6 and segid B) (resid 5 and name H1  and segid B) 1.9 0.4 0.4
!
! G5B-G1A
assign (resid 5 and name N7 and segid B) (resid 1 and name N2  and segid A) 2.9 0.5 0.4
assign (resid 5 and name N7 and segid B) (resid 1 and name H22 and segid A) 1.9 0.4 0.4
assign (resid 5 and name O6 and segid B) (resid 1 and name N1  and segid A) 2.9 0.5 0.4
assign (resid 5 and name O6 and segid B) (resid 1 and name H1  and segid A) 1.9 0.4 0.4
!
!
! G2C-G4C
assign (resid 2 and name N2  and segid C) (resid 4 and name N7 and segid C) 2.9 0.5 0.4
assign (resid 2 and name H22 and segid C) (resid 4 and name N7 and segid C) 1.9 0.4 0.4
assign (resid 2 and name N1  and segid C) (resid 4 and name O6 and segid C) 2.9 0.5 0.4
assign (resid 2 and name H1  and segid C) (resid 4 and name O6 and segid C) 1.9 0.4 0.4
!
! G4C-G2D
assign (resid 4 and name N2  and segid C) (resid 2 and name N7 and segid D) 2.9 0.5 0.4
assign (resid 4 and name H22 and segid C) (resid 2 and name N7 and segid D) 1.9 0.4 0.4
assign (resid 4 and name N1  and segid C) (resid 2 and name O6 and segid D) 2.9 0.5 0.4
assign (resid 4 and name H1  and segid C) (resid 2 and name O6 and segid D) 1.9 0.4 0.4
!
! G2D-G4D
assign (resid 2 and name N2  and segid D) (resid 4 and name N7 and segid D) 2.9 0.5 0.4
assign (resid 2 and name H22 and segid D) (resid 4 and name N7 and segid D) 1.9 0.4 0.4
assign (resid 2 and name N1  and segid D) (resid 4 and name O6 and segid D) 2.9 0.5 0.4
assign (resid 2 and name H1  and segid D) (resid 4 and name O6 and segid D) 1.9 0.4 0.4
!
! G4D-G2C
assign (resid 4 and name N2  and segid D) (resid 2 and name N7 and segid C) 2.9 0.5 0.4
assign (resid 4 and name H22 and segid D) (resid 2 and name N7 and segid C) 1.9 0.4 0.4
assign (resid 4 and name N1  and segid D) (resid 2 and name O6 and segid C) 2.9 0.5 0.4
assign (resid 4 and name H1  and segid D) (resid 2 and name O6 and segid C) 1.9 0.4 0.4
!
!
! G1C-G5C
assign (resid 1 and name N7 and segid C) (resid 5 and name N2  and segid C) 2.9 0.5 0.4
assign (resid 1 and name N7 and segid C) (resid 5 and name H22 and segid C) 1.9 0.4 0.4
assign (resid 1 and name O6 and segid C) (resid 5 and name N1  and segid C) 2.9 0.5 0.4
assign (resid 1 and name O6 and segid C) (resid 5 and name H1  and segid C) 1.9 0.4 0.4
!
! G5C-G1D
assign (resid 5 and name N7 and segid C) (resid 1 and name N2  and segid D) 2.9 0.5 0.4
assign (resid 5 and name N7 and segid C) (resid 1 and name H22 and segid D) 1.9 0.4 0.4
assign (resid 5 and name O6 and segid C) (resid 1 and name N1  and segid D) 2.9 0.5 0.4
assign (resid 5 and name O6 and segid C) (resid 1 and name H1  and segid D) 1.9 0.4 0.4
!
! G1D-G5D
assign (resid 1 and name N7 and segid D) (resid 5 and name N2  and segid D) 2.9 0.5 0.4
assign (resid 1 and name N7 and segid D) (resid 5 and name H22 and segid D) 1.9 0.4 0.4
assign (resid 1 and name O6 and segid D) (resid 5 and name N1  and segid D) 2.9 0.5 0.4
assign (resid 1 and name O6 and segid D) (resid 5 and name H1  and segid D) 1.9 0.4 0.4
!
! G5D-G1C
assign (resid 5 and name N7 and segid D) (resid 1 and name N2  and segid C) 2.9 0.5 0.4
assign (resid 5 and name N7 and segid D) (resid 1 and name H22 and segid C) 1.9 0.4 0.4
assign (resid 5 and name O6 and segid D) (resid 1 and name N1  and segid C) 2.9 0.5 0.4
assign (resid 5 and name O6 and segid D) (resid 1 and name H1  and segid C) 1.9 0.4 0.4
!
!
!
! ample restraints to keep the potassium ions within the quadruplex tetrads
!
assign (resid 1 and name O6 and segid A) (resid 1 and name K and segid E) 2.9 1.5 1.5
assign (resid 2 and name O6 and segid A) (resid 1 and name K and segid E) 2.9 1.5 1.5
assign (resid 4 and name O6 and segid A) (resid 1 and name K and segid E) 2.9 1.5 1.5
assign (resid 5 and name O6 and segid A) (resid 1 and name K and segid E) 2.9 1.5 1.5
assign (resid 1 and name O6 and segid B) (resid 1 and name K and segid E) 2.9 1.5 1.5
assign (resid 2 and name O6 and segid B) (resid 1 and name K and segid E) 2.9 1.5 1.5
assign (resid 4 and name O6 and segid B) (resid 1 and name K and segid E) 2.9 1.5 1.5
assign (resid 5 and name O6 and segid B) (resid 1 and name K and segid E) 2.9 1.5 1.5
!
assign (resid 1 and name O6 and segid A) (resid 2 and name K and segid E) 2.9 1.5 1.5
assign (resid 5 and name O6 and segid A) (resid 2 and name K and segid E) 2.9 1.5 1.5
assign (resid 1 and name O6 and segid B) (resid 2 and name K and segid E) 2.9 1.5 1.5
assign (resid 5 and name O6 and segid B) (resid 2 and name K and segid E) 2.9 1.5 1.5
assign (resid 1 and name O6 and segid C) (resid 2 and name K and segid E) 2.9 1.5 1.5
assign (resid 5 and name O6 and segid C) (resid 2 and name K and segid E) 2.9 1.5 1.5
assign (resid 1 and name O6 and segid D) (resid 2 and name K and segid E) 2.9 1.5 1.5
assign (resid 5 and name O6 and segid D) (resid 2 and name K and segid E) 2.9 1.5 1.5
!
assign (resid 1 and name O6 and segid C) (resid 3 and name K and segid E) 2.9 1.5 1.5
assign (resid 2 and name O6 and segid C) (resid 3 and name K and segid E) 2.9 1.5 1.5
assign (resid 4 and name O6 and segid C) (resid 3 and name K and segid E) 2.9 1.5 1.5
assign (resid 5 and name O6 and segid C) (resid 3 and name K and segid E) 2.9 1.5 1.5
assign (resid 1 and name O6 and segid D) (resid 3 and name K and segid E) 2.9 1.5 1.5
assign (resid 2 and name O6 and segid D) (resid 3 and name K and segid E) 2.9 1.5 1.5
assign (resid 4 and name O6 and segid D) (resid 3 and name K and segid E) 2.9 1.5 1.5
assign (resid 5 and name O6 and segid D) (resid 3 and name K and segid E) 2.9 1.5 1.5


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