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
	567617	2mco	19448	cing	1-original	1	XPLOR/CNS	distance	NOE	simple

!
! NOE restraints between quadruplex and ligand
!

!Test to try and get it throught the loop!

! Complexmd23 - added these 4 extra restraints
ASSI (resid 10 and name N2) (resid 23 and name C75) 1.0 0.0 0.0
ASSI (resid 23 and name N16) (resid 12 and name P) 1.0 0.0 0.0
ASSI (resid 23 and name C102) (resid 2 and name O6) 2.0 0.0 0.0
ASSI (resid 23 and name C108) (resid 14 and name H1) 2.0 0.0 0.0

ASSI (resid 23 and name N23) (resid 2 and name N7) 1.0 0.0 1.0
ASSI (resid 23 and name N24) (resid 14 and name N3) 1.0 0.0 1.0
ASSI (resid 23 and name N15) (resid 10 and name N3) 1.0 0.0 1.0
ASSI (resid 23 and name N17) (resid 22 and name N7) 1.0 0.0 1.0

ASSI (resid 23 and name C72) (resid 9 and name C5) 7.0 0.0 5.0
ASSI (resid 23 and name C66) (resid 9 and name C5) 7.0 0.0 5.0
ASSI (resid 23 and name C104) (resid 15 and name C6) 7.0 0.0 5.0
ASSI (resid 23 and name C98) (resid 15 and name C6) 7.0 0.0 5.0

ASSI (resid 23 and name N16) (resid 12 and name C5) 3.0 2.0 0.0
ASSI (resid 23 and name N18) (resid 12 and name C5) 3.0 2.0 0.0


!
! Now for the NOEs
!


! G10 H5' or with any ligand proton

ASSI (resid 10 and name H5') (resid 23 and name H*) 4.0 2.0 1.0


! G10 H5'' with any ligand proton

ASSI (resid 10 and name H5'') (resid 23 and name H*) 4.0 2.0 1.0


! G14 H2' with any ligand proton

ASSI (resid 14 and name H2') (resid 23 and name H*) 4.0 2.0 1.0


! G14 H2'' with any ligand proton

ASSI (resid 14 and name H2'') (resid 23 and name H*) 4.0 2.0 1.0


! T11 H1' with any ligand proton

ASSI (resid 11 and name H1') (resid 23 and name H*) 4.0 2.0 1.0


! G10 H1' with any ligand proton

ASSI (resid 10 and name H1') (resid 23 and name H*) 4.0 2.0 1.0


! G10 H1' with any ligand proton

ASSI (resid 10 and name H1') (resid 23 and name H*) 4.0 2.0 1.0


! G22 H2' with any ligand proton

ASSI (resid 22 and name H2') (resid 23 and name H*) 4.0 2.0 1.0


! G22 H2' with any ligand proton

ASSI (resid 22 and name H2') (resid 23 and name H*) 4.0 2.0 1.0


! T12 H1' with any ligand proton

ASSI (resid 12 and name H1') (resid 23 and name H*) 4.0 2.0 1.0


! T12 H2' with any ligand proton

ASSI (resid 12 and name H2') (resid 23 and name H*) 4.0 2.0 1.0


! G2 H1' with any ligand proton

ASSI (resid 2 and name H1') (resid 23 and name H*) 4.0 2.0 1.0

! G9 H2" with any ligand proton

ASSI (resid 9 and name H2'') (resid 23 and name H*) 4.0 2.0 1.0

! G9 H2' with any ligand proton

ASSI (resid 9 and name H2') (resid 23 and name H*) 4.0 2.0 1.0

!added additional restraints:


ASSI (resid 23 and name C100) (resid 23 and name C102) 1.5 0.0 0.0

ASSI (resid 23 and name C106) (resid 23 and name C108) 1.5 0.0 0.0
restraints plane

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