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

22090 2jm0 15000 cing 1-original 4 XPLOR/CNS distance general distance simple


!intra:

!2.86 ppm and 2.59 ppm
assign (resid 10 and name FD# ) (resid 10 and (name HB1 or name HB2 )) 2.8 1.2 1.2
assign (resid 10 and name FD# ) (resid 10 and (name HB2 or name HB1 )) 2.8 1.2 1.2

!2.86 ppm (medium) and 2.59 ppm (v. weak)
assign (resid 10 and name FE# ) (resid 10 and (name HB1 or name HB2 )) 4.0 1.6 1.6
assign (resid 10 and name FE# ) (resid 10 and (name HB2 or name HB1 )) 5.0 2.0 2.0

!inter:

!1.68 ppm choose one (equally probable):
assign (resid 10 and name FD# ) (resid 9 and name HB ) 4.0 1.6 1.6
!assign (resid 10 and name FD# ) (resid 28 and (name HB2 or name HB1 )) 4.0 1.6 1.6
!assign (resid 10 and name FD# ) (resid 29 and (name HG2 or name HG1 )) 4.0 1.6 1.6
!assign (resid 10 and name FD# ) (resid 32 and (name HB2 or name HB1 )) 4.0 1.6 1.6

!1.68 ppm choose one (equally probable):
assign (resid  10 and name FZ  ) (resid   9 and name HB  )  3.0 1.2 1.2
!assign (resid 10 and name FZ ) (resid 28 and (name HB2 or name HB1 )) 3.0 1.2 1.2
!assign (resid 10 and name FZ ) (resid 29 and (name HG2 or name HG1 )) 3.0 1.2 1.2
!assign (resid 10 and name FZ ) (resid 32 and (name HB2 or name HB1 )) 3.0 1.2 1.2

!1.45 ppm choose one (first probable):
assign (resid 10 and name FZ ) (resid 32 and (name HG2 or name HG1 )) 4.0 1.6 1.6
!assign (resid 10 and name FZ ) (resid 34 and (name HB1 or name HB2 )) 4.0 1.6 1.6
!assign (resid 10 and name FZ ) (resid 34 and (name HG1 or name HG2 )) 4.0 1.6 1.6

!0.65 ppm choose one (first probable):
assign (resid 10 and name FZ ) (resid 34 and name HD2# ) 4.0 1.6 1.6
!assign (resid 10 and name FZ ) (resid 24 and (name HG2 or name HG1 )) 3.0 1.2 1.2

!3.94 ppm choose one (first probable):
assign (resid  10 and name FZ  ) (resid   6 and name HA  )  4.0  1.6  1.6
!assign (resid  10 and name FZ  ) (resid 33 and (name HA1 or name HA2 ))  4.0 1.6 1.6
!assign (resid  10 and name FZ  ) (resid   7 and name HA  )  4.0  1.6  1.6
!assign (resid  10 and name FZ  ) (resid 11 and name (HA1 or name HA2 ))  4.0  1.6  1.6

!7.23 ppm choose one (first probable):
assign (resid 10 and name FE# ) (resid 6 and (name HE1 or name HE2 )) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 17 and name HZ ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 29 and name HE ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 35 and name HZ ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 35 and (name HD1 or name HD2 )) 2.0 0.8 0.8

!7.15 ppm choose one (first probable):
assign (resid 10 and name FE# ) (resid 17 and name HZ ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 35 and (name HD1 or name HD2 )) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 35 and name HZ ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 14 and name HE ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 24 and name HE ) 2.0 0.8 0.8

!3.94 ppm choose one (first probable):
assign (resid 10 and name FE# ) (resid 6 and name HA ) 3.0 1.2 1.2
!assign (resid 10 and name FE# ) (resid 33 and (name HA1 or name HA2 )) 5.0 2.0 2.0
!assign (resid 10 and name FE# ) (resid 7 and name HA ) 3.0 1.2 1.2
!assign (resid 10 and name FE# ) (resid 11 and name (HA1 or name HA2 )) 3.0 1.2 1.2

!1.68 ppm choose one (equally probable):
assign (resid 10 and name FE# ) (resid 9 and name HB ) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 28 and (name HB2 or name HB1 )) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 29 and (name HG2 or name HG1 )) 2.0 0.8 0.8
!assign (resid 10 and name FE# ) (resid 32 and (name HB2 or name HB1 )) 2.0 0.8 0.8

!0.65 ppm choose one (first probable):
assign (resid 10 and name FE# ) (resid 34 and name HD2# ) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 24 and (name HG2 or name HG1 )) 4.0 1.6 1.6

!0.36 ppm choose one (first probable):
assign (resid 10 and name FE# ) (resid 9 and name HG2# ) 4.0 1.6 1.6

!2.21 ppm:
assign (resid 10 and name FE# ) (resid 28 and (name HB1 or name HB2 )) 5.0 2.0 2.0
!assign (resid 10 and name FE# ) (resid 12 and (name HB2 or name HB1 )) 5.0 2.0 2.0
!assign (resid 10 and name FE# ) (resid 12 and name HE# ) 5.0 2.0 2.0
!assign (resid 10 and name FE# ) (resid 31 and (name HB1 or name HB2 )) 5.0 2.0 2.0

!0.95 ppm choose one (equally probable):
assign (resid 10 and name FE# ) (resid 28 and name HD1# ) 5.0 2.0 2.0
!assign (resid 10 and name FE# ) (resid 28 and name HD2# ) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 14 and (name HG1 or name HG2 )) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 9 and name HG1# ) 4.0 1.6 1.6

!0.91 ppm choose one (equally probable):
assign (resid 10 and name FE# ) (resid 28 and name HD2# ) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 14 and (name HG1 or name HG2 )) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 28 and name HD1# ) 4.0 1.6 1.6
!assign (resid 10 and name FE# ) (resid 9 and name HG1# ) 4.0 1.6 1.6

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

Contact the webmaster for help, if required. Monday, April 29, 2024 4:30:42 PM GMT (wattos1)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	22090	2jm0	15000	cing	1-original	4	XPLOR/CNS	distance	general distance	simple