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

623675 6ben 30357 cing 1-original 1 XPLOR/CNS distance NOE simple
# Restraints file 1: dsym_noe.tbl
!-------------------------------------------------------------------------!
!NOE Table for D_Symmetric Hug peptide !
!Updated 111516 mds
!D_Symmetric Hug, 8mer arg GLN pro gln ARG glu PRO GLN
!Upper case L-Amino Acid
!Lower case D-Amino Acid
!
!! NOE binning !!
!strong     2.5 0.7 0.7
!medium     3.5 1.2 1.2
!weak       4.5 1.6 1.6
!very weak  5.0 2.0 2.0

!TOTAL NOES                    = 88 
!long range          (j-i >6)  = 5
!short range    (2 > j-i < 5)  = 14
!sequential          (i to j)  = 23
!intraresidue        (i to i)  = 46

!------------------------------------------------------------------------!
!*** Bacbone NOE***!
!HN-HA

!HN-HN 

!HA-HA


! arg 1
 assign ( resid  1 and name HA   ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HA   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HB#  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HN   ) ( resid  8 and name HN   ) 3.5 1.2 1.2
 assign ( resid  1 and name HA   ) ( resid  2 and name HE22 ) 4.5 1.6 1.6
 assign ( resid  1 and name HB#  ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  1 and name HD#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HE   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HG2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HG2  ) ( resid  2 and name HE22 ) 4.5 1.6 1.6
 assign ( resid  1 and name HG1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HG1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  1 and name HN   ) ( resid  2 and name HN   ) 4.5 1.6 1.6


! GLN 2
 assign ( resid  2 and name HA   ) ( resid  2 and name HN   ) 3.5 1.2 1.2
 assign ( resid  2 and name HE22 ) ( resid  2 and name HE21 ) 2.5 0.7 0.7
 assign ( resid  2 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HA   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HB#  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HG2  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HG2  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  2 and name HG1  ) ( resid  2 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  2 and name HG1  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  2 and name HN   ) ( resid  8 and name HN   ) 4.5 1.6 1.6


! pro 3
 assign ( resid  3 and name HD#  ) ( resid  3 and name HG#  ) 3.5 1.2 1.2
 assign ( resid  3 and name HB2  ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  3 and name HB2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  2 and name HA   ) 3.5 1.2 1.2
 assign ( resid  3 and name HD#  ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  3 and name HA   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  3 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  3 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  3 and name HD#  ) ( resid  5 and name HN   ) 4.5 1.6 1.6

! gln 4
! assign ( resid  4 and name HE22 ) ( resid  4 and name HE21 ) 3.5 1.2 1.2
 assign ( resid  4 and name HA   ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  4 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HB#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HE21 ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HG2  ) ( resid  4 and name HE21 ) 3.5 1.2 1.2
 assign ( resid  4 and name HG2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  4 and name HG1  ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  4 and name HG1  ) ( resid  4 and name HN   ) 4.5 1.6 1.6

! ARG 5
 assign ( resid  5 and name HA   ) ( resid  5 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HA   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HB#  ) ( resid  5 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HN   ) ( resid  4 and name HN   ) 3.5 1.2 1.2
 assign ( resid  5 and name HB#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HB#  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  5 and name HB#  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HD#  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HE   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG2  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG1  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  5 and name HG1  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  5 and name HN   ) ( resid  6 and name HN   ) 4.5 1.6 1.6


! glu 6
 assign ( resid  6 and name HA   ) ( resid  6 and name HN   ) 3.5 1.2 1.2
 assign ( resid  6 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  2 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HA   ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HB#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2  ) ( resid  1 and name HE   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1  ) ( resid  1 and name HE   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  6 and name HG1  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  6 and name HN   ) ( resid  8 and name HN   ) 4.5 1.6 1.6


! PRO 7
 assign ( resid  7 and name HD#  ) ( resid  7 and name HG#  ) 3.5 1.2 1.2
 assign ( resid  7 and name HB2  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  7 and name HB2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  6 and name HA   ) 3.5 1.2 1.2
 assign ( resid  7 and name HD#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  7 and name HB2  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  7 and name HB1  ) 4.5 1.6 1.6
 assign ( resid  7 and name HD#  ) ( resid  8 and name HN   ) 4.5 1.6 1.6

! GLN 8
 assign ( resid  8 and name HA   ) ( resid  8 and name HN   ) 3.5 1.2 1.2
! assign ( resid  8 and name HE22 ) ( resid  8 and name HE21 ) 3.5 1.2 1.2
 assign ( resid  8 and name HA   ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  8 and name HB2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HB1  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HE21 ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HG2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HG2  ) ( resid  8 and name HE21 ) 4.5 1.6 1.6
 assign ( resid  8 and name HG2  ) ( resid  8 and name HN   ) 4.5 1.6 1.6
 assign ( resid  8 and name HG1  ) ( resid  8 and name HN   ) 4.5 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. Saturday, May 4, 2024 4:16:19 AM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	623675	6ben	30357	cing	1-original	1	XPLOR/CNS	distance	NOE	simple