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
4525 1f95 4911 cing 1-original 2 XPLOR/CNS distance NOE simple


! This table contains three types of NOE restraints,
! a) between CHA1 and CHA3
! b) between CHA2 and CHA4
! c) between CHA1 and CHA2
! 
! These restraints determine the topology of the dimer.
assign (segid CHA4 and resid    7 and  name HG2#  )(segid CHA2 and resid   75 and  name HD#     ) 0.0 3.0 5.7
assign (segid CHA4 and resid    7 and  name HG2#  )(segid CHA2 and resid   75 and  name HE#     ) 0.0 3.0 5.7

assign (segid CHA3 and resid    7 and  name HG2#  )(segid CHA1 and resid   75 and  name HD#     ) 0.0 3.0 5.7
assign (segid CHA3 and resid    7 and  name HG2#  )(segid CHA1 and resid   75 and  name HE#     ) 0.0 3.0 5.7

assign (segid CHA4 and resid    7 and  name HG2#  )(segid CHA2 and resid   73 and  name HD#     ) 0.0 3.0 8.0
assign (segid CHA4 and resid    7 and  name HG2#  )(segid CHA2 and resid   73 and  name HE#     ) 0.0 3.0 5.7

assign (segid CHA3 and resid    7 and  name HG2#  )(segid CHA1 and resid   73 and  name HD#     ) 0.0 3.0 8.0
assign (segid CHA3 and resid    7 and  name HG2#  )(segid CHA1 and resid   73 and  name HE#     ) 0.0 3.0 5.7

assign (segid CHA4 and resid    9 and  name HG2#  )(segid CHA2 and resid   77 and  name HD#     ) 0.0 3.0 5.7
assign (segid CHA4 and resid    9 and  name HG2#  )(segid CHA2 and resid   77 and  name HE#     ) 0.0 3.0 5.7

assign (segid CHA3 and resid    9 and  name HG2#  )(segid CHA1 and resid   77 and  name HD#     ) 0.0 3.0 5.7
assign (segid CHA3 and resid    9 and  name HG2#  )(segid CHA1 and resid   77 and  name HE#     ) 0.0 3.0 5.7

assign (segid CHA4 and resid    9 and  name HB  )(segid CHA2 and resid   82 and  name HB#     ) 0.0 3.0 5.7

assign (segid CHA3 and resid    9 and  name HB  )(segid CHA1 and resid   82 and  name HB#     ) 0.0 3.0 5.7

assign (segid CHA4 and resid    7 and  name HB  )(segid CHA2 and resid   75 and  name HD#     ) 0.0 1.5 6.5
assign (segid CHA4 and resid    7 and  name HB  )(segid CHA2 and resid   75 and  name HE#     ) 0.0 1.5 6.5

assign (segid CHA3 and resid    7 and  name HB  )(segid CHA1 and resid   75 and  name HD#     ) 0.0 1.5 6.5
assign (segid CHA3 and resid    7 and  name HB  )(segid CHA1 and resid   75 and  name HE#     ) 0.0 1.5 6.5

assign (segid CHA4 and resid    7 and  name HG2#  )(segid CHA2 and resid   84 and  name HD2#     ) 0.0 3.0 6.5
assign (segid CHA3 and resid    7 and  name HG2#  )(segid CHA1 and resid   84 and  name HD2#     ) 0.0 3.0 6.5

assign (segid CHA1 and resid    57 and  name HG2#  )(segid CHA1 and resid   82 and  name HB#     ) 0.0 3.5 7.0
assign (segid CHA2 and resid    57 and  name HG2#  )(segid CHA2 and resid   82 and  name HB#     ) 0.0 3.5 7.0


!assign (segid CHA1 and resid    66 and  name HG2#  )(segid CHA1 and resid   86 and  name HD#     ) 0.0 3.5 7.0
!assign (segid CHA1 and resid    66 and  name HG2#  )(segid CHA1 and resid   86 and  name HE#     ) 0.0 3.5 7.0

!assign (segid CHA2 and resid    66 and  name HG2#  )(segid CHA2 and resid   86 and  name HD#     ) 0.0 3.5 7.0
!assign (segid CHA2 and resid    66 and  name HG2#  )(segid CHA2 and resid   86 and  name HE#     ) 0.0 3.5 7.0

assign (segid CHA1 and resid    66 and  name HG2#  )(segid CHA1 and resid   84 and  name HD1#     ) 0.0 3.0 5.7
assign (segid CHA2 and resid    66 and  name HG2#  )(segid CHA2 and resid   84 and  name HD1#     ) 0.0 3.0 5.7

assign (segid CHA1 and resid    66 and  name HG2#  )(segid CHA1 and resid   84 and  name HD2#     ) 0.0 3.0 5.7
assign (segid CHA2 and resid    66 and  name HG2#  )(segid CHA2 and resid   84 and  name HD2#     ) 0.0 3.0 5.7


!assign (segid CHA1 and resid    66 and  name HG1#  )(segid CHA1 and resid   86 and  name HD#     ) 0.0 3.5 7.0
!assign (segid CHA1 and resid    66 and  name HG1#  )(segid CHA1 and resid   86 and  name HE#     ) 0.0 3.5 7.0
!assign (segid CHA2 and resid    66 and  name HG1#  )(segid CHA2 and resid   86 and  name HD#     ) 0.0 3.5 7.0
!assign (segid CHA2 and resid    66 and  name HG1#  )(segid CHA2 and resid   86 and  name HE#     ) 0.0 3.5 7.0

!assign (segid CHA1 and resid    66 and  name HG2#  )(segid CHA1 and resid   73 and  name HD#     ) 0.0 3.5 7.0
!assign (segid CHA1 and resid    66 and  name HG2#  )(segid CHA1 and resid   73 and  name HE#     ) 0.0 3.5 7.0

!assign (segid CHA2 and resid    66 and  name HG2#  )(segid CHA2 and resid   73 and  name HD#     ) 0.0 3.5 7.0
!assign (segid CHA2 and resid    66 and  name HG2#  )(segid CHA2 and resid   73 and  name HE#     ) 0.0 3.5 7.0

assign (segid CHA1 and resid    64 and  name HB#  )(segid CHA1 and resid   84 and  name HD2#     ) 0.0 3.5 7.0
assign (segid CHA2 and resid    64 and  name HB#  )(segid CHA2 and resid   84 and  name HD2#     ) 0.0 3.5 7.0

!-----------------------------------------------------------------------------------------------------------
assign (segid CHA1 and resid 70 and  name HA )(segid CHA3 and resid 1 and  name HA ) 0.0 0.0 3.5
assign (segid CHA2 and resid 70 and  name HA )(segid CHA4 and resid 1 and  name HA ) 0.0 0.0 3.5

assign (segid CHA1 and resid 70 and  name HB )(segid CHA3 and resid 1 and  name HA ) 0.0 0.0 3.5
assign (segid CHA2 and resid 70 and  name HB )(segid CHA4 and resid 1 and  name HA ) 0.0 0.0 3.5

assign (segid CHA1 and resid 70 and  name HG2# )(segid CHA3 and resid    1 and  name HA ) 0.0 0.0 5.0
assign (segid CHA2 and resid 70 and  name HG2# )(segid CHA4 and resid    1 and  name HA ) 0.0 0.0 5.0

assign (segid CHA1 and resid 67 and  name HA )(segid CHA3 and resid 4 and  name HA ) 0.0 0.0 2.7
assign (segid CHA2 and resid 67 and  name HA )(segid CHA4 and resid 4 and  name HA ) 0.0 0.0 2.7

!assign (segid CHA1 and resid 67 and  name HB )(segid CHA3 and resid 4 and  name HA ) 0.0 0.0 3.5
!assign (segid CHA2 and resid 67 and  name HB )(segid CHA4 and resid 4 and  name HA ) 0.0 0.0 3.5

assign (segid CHA1 and resid 67 and  name HG2# )(segid CHA3 and resid  4 and  name HA ) 0.0 0.0 3.7
assign (segid CHA2 and resid 67 and  name HG2# )(segid CHA4 and resid  4 and  name HA ) 0.0 0.0 3.7

assign (segid CHA1 and resid 67 and  name HG2# )(segid CHA3 and resid  3 and  name HA ) 0.0 0.0 3.7
assign (segid CHA2 and resid 67 and  name HG2# )(segid CHA4 and resid  3 and  name HA ) 0.0 0.0 3.7

assign (segid CHA1 and resid 67 and  name HG2# )(segid CHA3 and resid  3 and  name HB# ) 0.0 0.0 6.0
assign (segid CHA2 and resid 67 and  name HG2# )(segid CHA4 and resid  3 and  name HB# ) 0.0 0.0 6.0

assign (segid CHA1 and resid 67 and  name HG2# )(segid CHA3 and resid  4 and  name HB# ) 0.0 0.0 6.0
assign (segid CHA2 and resid 67 and  name HG2# )(segid CHA4 and resid  4 and  name HB# ) 0.0 0.0 6.0

assign (segid CHA1 and resid 67 and  name HA )(segid CHA3 and resid 4 and  name HB# ) 0.0 0.0 4.5
assign (segid CHA2 and resid 67 and  name HA )(segid CHA4 and resid 4 and  name HB# ) 0.0 0.0 4.5

!assign (segid CHA1 and resid 68 and  name HA )(segid CHA3 and resid 2 and  name HB# ) 0.0 0.0 6.0
!assign (segid CHA2 and resid 68 and  name HA )(segid CHA4 and resid 2 and  name HB# ) 0.0 0.0 6.0

assign (segid CHA1 and resid 69 and  name HA )(segid CHA3 and resid 1 and  name HA ) 0.0 0.0 2.7
assign (segid CHA2 and resid 69 and  name HA )(segid CHA4 and resid 1 and  name HA ) 0.0 0.0 2.7

!assign (segid CHA1 and resid 67 and  name HA )(segid CHA3 and resid 4 and  name HA ) 0.0 0.0 5.0
!assign (segid CHA2 and resid 67 and  name HA )(segid CHA4 and resid 4 and  name HA ) 0.0 0.0 5.0

assign (segid CHA1 and resid 65 and  name HA )(segid CHA3 and resid 6 and  name HA ) 0.0 0.0 2.7
assign (segid CHA2 and resid 65 and  name HA )(segid CHA4 and resid 6 and  name HA ) 0.0 0.0 2.7

assign (segid CHA1 and resid 65 and  name HA )(segid CHA3 and resid 6 and  name HB# ) 0.0 0.0 5.0
assign (segid CHA2 and resid 65 and  name HA )(segid CHA4 and resid 6 and  name HB# ) 0.0 0.0 5.0

assign (segid CHA1 and resid 60 and  name HA )(segid CHA3 and resid 9 and  name HG2# ) 0.0 0.0 6.5
assign (segid CHA2 and resid 60 and  name HA )(segid CHA4 and resid 9 and  name HG2# ) 0.0 0.0 6.5

assign (segid CHA1 and resid 63 and  name HA# )(segid CHA3 and resid 8 and  name HA ) 0.0 0.0 3.7
assign (segid CHA2 and resid 63 and  name HA# )(segid CHA4 and resid 8 and  name HA ) 0.0 0.0 3.7

!assign (segid CHA1 and resid 66 and  name HG1# )(segid CHA3 and resid    4 and  name HA ) 0.0 0.0 5.0
!assign (segid CHA2 and resid 66 and  name HG1# )(segid CHA4 and resid    4 and  name HA ) 0.0 0.0 5.0

assign (segid CHA1 and resid 66 and  name HG2# )(segid CHA3 and resid    6 and  name HA ) 0.0 0.0 5.0
assign (segid CHA2 and resid 66 and  name HG2# )(segid CHA4 and resid    6 and  name HA ) 0.0 0.0 5.0

assign (segid CHA1 and resid 66 and  name HG2# )(segid CHA3 and resid    5 and  name HA ) 0.0 0.0 5.0
assign (segid CHA2 and resid 66 and  name HG2# )(segid CHA4 and resid    5 and  name HA ) 0.0 0.0 5.0

assign (segid CHA1 and resid 66 and  name HG2# )(segid CHA3 and resid    5 and  name HB# ) 0.0 1.0 6.0
assign (segid CHA2 and resid 66 and  name HG2# )(segid CHA4 and resid    5 and  name HB# ) 0.0 1.0 6.0

assign (segid CHA1 and resid 66 and  name HG2# )(segid CHA3 and resid    7 and  name HG2# ) 0.0 0.0 6.5
assign (segid CHA2 and resid 66 and  name HG2# )(segid CHA4 and resid    7 and  name HG2# ) 0.0 0.0 6.5

assign (segid CHA1 and resid 66 and  name HG2# )(segid CHA3 and resid    4 and  name HA ) 0.0 0.0 5.0
assign (segid CHA2 and resid 66 and  name HG2# )(segid CHA4 and resid    4 and  name HA ) 0.0 0.0 5.0

!assign (segid CHA1 and resid 66 and  name HG1# )(segid CHA3 and resid    4 and  name HA ) 0.0 0.0 5.0
!assign (segid CHA2 and resid 66 and  name HG1# )(segid CHA4 and resid    4 and  name HA ) 0.0 0.0 5.0

assign (segid CHA1 and resid 61 and  name HA )(segid CHA3 and resid 9 and  name HA ) 0.0 0.0 5.0
assign (segid CHA2 and resid 61 and  name HA )(segid CHA4 and resid 9 and  name HA ) 0.0 0.0 5.0

assign (segid CHA1 and resid 61 and  name HA )(segid CHA3 and resid 9 and  name HB ) 0.0 0.0 5.0
assign (segid CHA2 and resid 61 and  name HA )(segid CHA4 and resid 9 and  name HB ) 0.0 0.0 5.0

assign (segid CHA1 and resid 61 and  name HA )(segid CHA3 and resid 9 and  name HG2# ) 0.0 0.0 5.0
assign (segid CHA2 and resid 61 and  name HA )(segid CHA4 and resid 9 and  name HG2# ) 0.0 0.0 5.0

assign (segid CHA1 and resid 61 and  name HN )(segid CHA3 and resid 9 and  name HG2# ) 0.0 1.5 6.5
assign (segid CHA2 and resid 61 and  name HN )(segid CHA4 and resid 9 and  name HG2# ) 0.0 1.5 6.5

assign (segid CHA1 and resid 62 and  name HN )(segid CHA3 and resid 9 and  name HB ) 0.0 0.0 5.0
assign (segid CHA2 and resid 62 and  name HN )(segid CHA4 and resid 9 and  name HB ) 0.0 0.0 5.0

assign (segid CHA1 and resid 62 and  name HN )(segid CHA3 and resid 9 and  name HG2# ) 0.0 1.5 4.4
assign (segid CHA2 and resid 62 and  name HN )(segid CHA4 and resid 9 and  name HG2# ) 0.0 1.5 4.4

!assign (segid CHA1 and resid 62 and  name HN )(segid CHA3 and resid 9 and  name HA ) 0.0 0.0 5.0
!assign (segid CHA2 and resid 62 and  name HN )(segid CHA4 and resid 9 and  name HA ) 0.0 0.0 5.0

assign (segid CHA1 and resid 62 and  name HN )(segid CHA3 and resid 9 and  name HN ) 0.0 0.0 3.5
assign (segid CHA2 and resid 62 and  name HN )(segid CHA4 and resid 9 and  name HN ) 0.0 0.0 3.5

assign (segid CHA1 and resid 64 and  name HN )(segid CHA3 and resid 8 and  name HA ) 0.0 0.0 5.0
assign (segid CHA2 and resid 64 and  name HN )(segid CHA4 and resid 8 and  name HA ) 0.0 0.0 5.0

assign (segid CHA1 and resid 64 and  name HN )(segid CHA3 and resid 6 and  name HA ) 0.0 0.0 5.0
assign (segid CHA2 and resid 64 and  name HN )(segid CHA4 and resid 6 and  name HA ) 0.0 0.0 5.0

assign (segid CHA1 and resid 64 and  name HN )(segid CHA3 and resid 7 and  name HA ) 0.0 0.0 5.0
assign (segid CHA2 and resid 64 and  name HN )(segid CHA4 and resid 7 and  name HA ) 0.0 0.0 5.0

assign (segid CHA1 and resid 64 and  name HN )(segid CHA3 and resid 7 and  name HN ) 0.0 0.0 3.5
assign (segid CHA2 and resid 64 and  name HN )(segid CHA4 and resid 7 and  name HN ) 0.0 0.0 3.5

assign (segid CHA1 and resid 64 and  name HN )(segid CHA3 and resid 7 and  name HG2# ) 0.0 0.0 6.5
assign (segid CHA2 and resid 64 and  name HN )(segid CHA4 and resid 7 and  name HG2# ) 0.0 0.0 6.5

assign (segid CHA1 and resid 66 and  name HN )(segid CHA3 and resid 5 and  name HN ) 0.0 0.0 3.5
assign (segid CHA2 and resid 66 and  name HN )(segid CHA4 and resid 5 and  name HN ) 0.0 0.0 3.5

assign (segid CHA1 and resid 66 and  name HN )(segid CHA3 and resid 6 and  name HA ) 0.0 0.0 3.5
assign (segid CHA2 and resid 66 and  name HN )(segid CHA4 and resid 6 and  name HA ) 0.0 0.0 3.5

assign (segid CHA1 and resid 63 and  name HN )(segid CHA3 and resid 9 and  name HG2# ) 0.0 1.5 6.5
assign (segid CHA2 and resid 63 and  name HN )(segid CHA4 and resid 9 and  name HG2# ) 0.0 1.5 6.5

assign (segid CHA1 and resid 66 and  name HN )(segid CHA3 and resid 4 and  name HA ) 0.0 0.0 5.0
assign (segid CHA2 and resid 66 and  name HN )(segid CHA4 and resid 4 and  name HA ) 0.0 0.0 5.0
assign (segid CHA1 and resid 67 and  name HN )(segid CHA3 and resid 4 and  name HA ) 0.0 0.0 5.0
assign (segid CHA2 and resid 67 and  name HN )(segid CHA4 and resid 4 and  name HA ) 0.0 0.0 5.0
assign (segid CHA1 and resid 68 and  name HN )(segid CHA3 and resid 4 and  name HA ) 0.0 0.0 3.5
assign (segid CHA2 and resid 68 and  name HN )(segid CHA4 and resid 4 and  name HA ) 0.0 0.0 3.5

assign (segid CHA2 and resid   36 and  name HA  )(segid CHA3 and resid   8 and  name HG#   ) 0.0 1.0 6.0 
assign (segid CHA1 and resid   36 and  name HA  )(segid CHA4 and resid   8 and  name HG#   ) 0.0 1.0 6.0 
assign (segid CHA2 and resid   36 and  name HB#  )(segid CHA3 and resid   8 and  name HG#   ) 0.0 1.0 6.0 
assign (segid CHA1 and resid   36 and  name HB#  )(segid CHA4 and resid   8 and  name HG#   ) 0.0 1.0 6.0 
assign (segid CHA2 and resid   36 and  name HG#  )(segid CHA3 and resid   8 and  name HG#   ) 0.0 1.0 6.0 
assign (segid CHA1 and resid   36 and  name HG#  )(segid CHA4 and resid   8 and  name HG#   ) 0.0 1.0 6.0 
assign (segid CHA2 and resid   36 and  name HD#  )(segid CHA3 and resid   8 and  name HG#   ) 0.0 1.0 6.0 
assign (segid CHA1 and resid   36 and  name HD#  )(segid CHA4 and resid   8 and  name HG#   ) 0.0 1.0 6.0 
assign (segid CHA2 and resid   36 and  name HE#  )(segid CHA3 and resid   8 and  name HG#   ) 0.0 1.0 6.0 
assign (segid CHA1 and resid   36 and  name HE#  )(segid CHA4 and resid   8 and  name HG#   ) 0.0 1.0 6.0 

assign (segid CHA2 and resid   40 and  name HB#  )(segid CHA3 and resid   6 and  name HG#   ) 0.0 1.0 6.0 
assign (segid CHA1 and resid   40 and  name HB#  )(segid CHA4 and resid   6 and  name HG#   ) 0.0 1.0 6.0 

assign (segid CHA2 and resid   35 and  name HN  )(segid CHA3 and resid   8 and  name HE21   ) 0.0 0.0 5.0 
assign (segid CHA1 and resid   35 and  name HN  )(segid CHA4 and resid   8 and  name HE22   ) 0.0 0.0 5.0 

assign (segid CHA2 and resid   36 and  name HN  )(segid CHA3 and resid   8 and  name HE21   ) 0.0 0.0 5.0 
assign (segid CHA1 and resid   36 and  name HN  )(segid CHA4 and resid   8 and  name HE22   ) 0.0 0.0 5.0 

!**************************************************************************************************************


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

Contact the webmaster for help, if required. Saturday, May 18, 2024 5:38:38 AM GMT (wattos1)