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

623711 6bew 30364 cing 1-original 1 XPLOR/CNS distance NOE simple

# Restraints file 1: binoculars_noe.tbl
!-------------------------------------------------------------------------!
!NOE Table for Binoculars peptide !
!Updated 040617 mds
!11cpp, 7mer his PRO asp gln ser glu PRO 
!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                = 64 
!long range          (j-i >6)  = 6
!short range    (2 > j-i < 5)  = 6
!sequential          (i to j)  = 14
!intraresidue        (i to i)  = 38

!------------------------------------------------------------------------!


!! BACKBONE NOEs !!
! HA-HN
assign ( resid  1 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  3 and name HA   ) ( resid  3 and name HN   ) 3.5 1.2 1.2
assign ( resid  3 and name HA   ) ( resid  4 and name HN   ) 4.5 1.6 1.6
assign ( resid  4 and name HA   ) ( resid  4 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 HA   ) ( resid  5 and name HN   ) 3.5 1.2 1.2
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  7 and name HA   ) ( resid  1 and name HN   ) 4.5 1.6 1.6


! HN-HN
assign ( resid  4 and name HN   ) ( resid  3 and name HN   ) 3.5 1.2 1.2
assign ( resid  5 and name HN   ) ( resid  1 and name HN   ) 4.5 1.6 1.6


!! Side Chain !!

assign ( resid  1 and name HB2  ) ( resid  1 and name HD2  ) 3.5 1.2 1.2
assign ( resid  1 and name HB2  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
assign ( resid  1 and name HB1  ) ( resid  1 and name HD2  ) 3.5 1.2 1.2
assign ( resid  1 and name HA   ) ( resid  1 and name HD2  ) 4.5 1.6 1.6
assign ( resid  1 and name HA   ) ( resid  1 and name HE1  ) 4.5 1.6 1.6
assign ( resid  1 and name HA   ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
assign ( resid  1 and name HB2  ) ( resid  4 and name HN   ) 4.5 1.6 1.6
assign ( resid  1 and name HB1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  1 and name HB1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
assign ( resid  1 and name HB1  ) ( resid  4 and name HN   ) 4.5 1.6 1.6



assign ( resid  2 and name HD2  ) ( resid  2 and name HB2  ) 3.5 1.2 1.2
assign ( resid  2 and name HD2  ) ( resid  2 and name HB1  ) 3.5 1.2 1.2
assign ( resid  2 and name HD1  ) ( resid  2 and name HB2  ) 3.5 1.2 1.2
assign ( resid  2 and name HD1  ) ( resid  2 and name HB1  ) 3.5 1.2 1.2
assign ( resid  2 and name HD2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  2 and name HD2  ) ( resid  2 and name HA   ) 4.5 1.6 1.6
assign ( resid  2 and name HD2  ) ( resid  2 and name HG2  ) 3.5 1.2 1.2
assign ( resid  2 and name HD2  ) ( resid  2 and name HG1  ) 4.5 1.6 1.6
assign ( resid  2 and name HD1  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  2 and name HD1  ) ( resid  2 and name HG2  ) 4.5 1.6 1.6
assign ( resid  2 and name HD1  ) ( resid  2 and name HG1  ) 3.5 1.2 1.2
assign ( resid  2 and name HG2  ) ( resid  3 and name HN   ) 4.5 1.6 1.6
assign ( resid  2 and name HG1  ) ( resid  3 and name HN   ) 4.5 1.6 1.6



assign ( resid  3 and name HB#  ) ( resid  3 and name HN   ) 3.5 1.2 1.2
assign ( resid  3 and name HA   ) ( resid  4 and name HE22 ) 4.5 1.6 1.6
assign ( resid  3 and name HB#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6


assign ( resid  4 and name HE22 ) ( resid  4 and name HE21 ) 2.5 0.7 0.7

assign ( resid  4 and name HB#  ) ( resid  4 and name HE22 ) 3.5 1.2 1.2
assign ( resid  4 and name HB#  ) ( resid  4 and name HN   ) 3.5 1.2 1.2
assign ( resid  4 and name HE22 ) ( resid  4 and name HN   ) 3.5 1.2 1.2
assign ( resid  4 and name HB#  ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
assign ( resid  4 and name HG#  ) ( resid  4 and name HE21 ) 4.5 1.6 1.6
assign ( resid  4 and name HG#  ) ( resid  4 and name HN   ) 4.5 1.6 1.6



assign ( resid  5 and name HB1  ) ( resid  6 and name HN   ) 2.5 0.7 0.7

assign ( resid  5 and name HB2  ) ( resid  6 and name HN   ) 3.5 1.2 1.2
assign ( resid  5 and name HB2  ) ( resid  5 and name HN   ) 4.5 1.6 1.6
assign ( resid  5 and name HB1  ) ( resid  5 and name HN   ) 4.5 1.6 1.6



assign ( resid  6 and name HB#  ) ( resid  6 and name HN   ) 2.5 0.7 0.7

assign ( resid  6 and name HG#  ) ( resid  6 and name HN   ) 4.5 1.6 1.6


assign ( resid  7 and name HD2  ) ( resid  6 and name HA   ) 3.5 1.2 1.2
assign ( resid  7 and name HD2  ) ( resid  7 and name HB#  ) 3.5 1.2 1.2
assign ( resid  7 and name HD1  ) ( resid  1 and name HN   ) 3.5 1.2 1.2
assign ( resid  7 and name HD1  ) ( resid  6 and name HA   ) 3.5 1.2 1.2
assign ( resid  7 and name HD1  ) ( resid  7 and name HB#  ) 3.5 1.2 1.2
assign ( resid  7 and name HB#  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  7 and name HD2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  7 and name HD2  ) ( resid  6 and name HN   ) 4.5 1.6 1.6
assign ( resid  7 and name HD2  ) ( resid  7 and name HG2  ) 4.5 1.6 1.6
assign ( resid  7 and name HD2  ) ( resid  7 and name HG1  ) 4.5 1.6 1.6
assign ( resid  7 and name HD1  ) ( resid  7 and name HA   ) 4.5 1.6 1.6
assign ( resid  7 and name HD1  ) ( resid  7 and name HG2  ) 4.5 1.6 1.6
assign ( resid  7 and name HG2  ) ( resid  1 and name HN   ) 4.5 1.6 1.6
assign ( resid  7 and name HG1  ) ( resid  1 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 4:03:39 AM GMT (wattos1)

image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	623711	6bew	30364	cing	1-original	1	XPLOR/CNS	distance	NOE	simple