NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
3550 1duf cing 1-original 1 XPLOR/CNS distance NOE ambi


!Bax's NOESY
assign ( resid 2   and name H1'   )  ( resid 3   and name H6    )  3.40 0.45  0.45
assign ( resid 14  and name H1'   )  ( resid 15  and name H6    )  3.40 0.45  0.45
assign ( resid 3   and name H1'   )  ( resid 4   and name H8    )  4.00 0.60  0.60
assign ( resid 15  and name H1'   )  ( resid 16  and name H8    )  4.00 0.60  0.60
assign ( resid 4   and name H1'   )  ( resid 5   and name H8    )  3.20 0.45  0.45
assign ( resid 16  and name H1'   )  ( resid 17  and name H8    )  3.20 0.45  0.45
assign ( resid 5   and name H1'   )  ( resid 6   and name H8    )  3.40 0.60  0.60
assign ( resid 17  and name H1'   )  ( resid 18  and name H8    )  3.40 0.60  0.60
assign ( resid 6   and name H1'   )  ( resid 7   and name H6    )  3.40 0.45  0.45
assign ( resid 18  and name H1'   )  ( resid 19  and name H6    )  3.40 0.45  0.45
assign ( resid 7   and name H1'   )  ( resid 8   and name H6    )  4.00 0.60  0.60
assign ( resid 19  and name H1'   )  ( resid 20  and name H6    )  4.00 0.60  0.60
assign ( resid 8   and name H1'   )  ( resid 9   and name H6    )  4.00 0.60  0.60
assign ( resid 20  and name H1'   )  ( resid 21  and name H6    )  4.00 0.60  0.60
assign ( resid 9   and name H1'   )  ( resid 10  and name H8    )  3.70 0.60  0.60
assign ( resid 21  and name H1'   )  ( resid 22  and name H8    )  3.70 0.60  0.60
assign ( resid 10  and name H1'   )  ( resid 11  and name H6    )  3.30 0.45  0.45
assign ( resid 22  and name H1'   )  ( resid 23  and name H6    )  3.30 0.45  0.45
assign ( resid 11  and name H1'   )  ( resid 12  and name H8    )  4.30 1.05  1.05
assign ( resid 23  and name H1'   )  ( resid 24  and name H8    )  4.30 1.05  1.05

assign ( resid 2   and name H8    )  ( resid 3   and name H5    )  3.70 0.75  0.75
assign ( resid 14  and name H8    )  ( resid 15  and name H5    )  3.70 0.75  0.75
assign ( resid 8   and name H6    )  ( resid 9   and name H5    )  3.50 0.75  0.75
assign ( resid 20  and name H6    )  ( resid 21  and name H5    )  3.50 0.75  0.75
assign ( resid 10  and name H8    )  ( resid 11  and name H5    )  3.50 0.75  0.75
assign ( resid 22  and name H8    )  ( resid 23  and name H5    )  3.50 0.75  0.75

assign ( resid 6   and name H2    )  ( resid 6   and name H1'   )  4.00 0.75  0.75
assign ( resid 18  and name H2    )  ( resid 18  and name H1'   )  4.00 0.75  0.75
assign ( resid 6   and name H2    )  ( resid 20  and name H1'   )  4.00 0.75  0.75
assign ( resid 8   and name H1'   )  ( resid 18  and name H2    )  4.00 0.75  0.75
assign ( resid 8   and name H1'   )  ( resid 17  and name H2    )  6.50 2.25  2.25
assign ( resid 20  and name H1'   )  ( resid 5   and name H2    )  6.50 2.25  2.25

assign ( resid 5   and name H2    )  ( resid 6   and name H2    )  3.70 0.90  0.90
assign ( resid 17  and name H2    )  ( resid 18  and name H2    )  3.70 0.90  0.90

assign ( resid 1   and name H2'   )  ( resid 1   and name H6    )  2.50 0.30  0.30
assign ( resid 13  and name H2'   )  ( resid 13  and name H6    )  2.50 0.30  0.30
assign ( resid 1   and name H2''  )  ( resid 2   and name H8    )  2.93 0.30  0.30
assign ( resid 13  and name H2''  )  ( resid 14  and name H8    )  2.93 0.30  0.30
assign ( resid 1   and name H2'   )  ( resid 2   and name H8    )  3.05 0.30  0.30
assign ( resid 13  and name H2'   )  ( resid 14  and name H8    )  3.05 0.30  0.30
assign ( resid 2   and name H2'   )  ( resid 2   and name H8    )  2.24 0.30  0.30
assign ( resid 14  and name H2'   )  ( resid 14  and name H8    )  2.24 0.30  0.30
assign ( resid 2   and name H2'   )  ( resid 3   and name H6    )  3.50 0.45  0.45
assign ( resid 14  and name H2'   )  ( resid 15  and name H6    )  3.50 0.45  0.45
assign ( resid 2   and name H2''  )  ( resid 3   and name H6    )  2.93 0.45  0.45
assign ( resid 14  and name H2''  )  ( resid 15  and name H6    )  2.93 0.45  0.45
assign ( resid 3   and name H2'   )  ( resid 3   and name H6    )  2.35 0.30  0.30
assign ( resid 15  and name H2'   )  ( resid 15  and name H6    )  2.35 0.30  0.30
assign ( resid 3   and name H2''  )  ( resid 4   and name H8    )  2.92 0.45  0.45
assign ( resid 15  and name H2''  )  ( resid 16  and name H8    )  2.92 0.45  0.45
assign ( resid 3   and name H2'   )  ( resid 4   and name H8    )  3.05 0.45  0.45
assign ( resid 15  and name H2'   )  ( resid 16  and name H8    )  3.05 0.45  0.45
assign ( resid 4   and name H2'   )  ( resid 4   and name H8    )  2.30 0.30  0.30
assign ( resid 16  and name H2'   )  ( resid 16  and name H8    )  2.30 0.30  0.30
assign ( resid 5   and name H2'   )  ( resid 5   and name H8    )  2.40 0.45  0.45
assign ( resid 17  and name H2'   )  ( resid 17  and name H8    )  2.40 0.45  0.45
assign ( resid 4   and name H2''  )  ( resid 5   and name H8    )  2.71 0.45  0.45
assign ( resid 16  and name H2''  )  ( resid 17  and name H8    )  2.71 0.45  0.45
assign ( resid 5   and name H2''  )  ( resid 6   and name H8    )  3.40 1.35  1.35
assign ( resid 17  and name H2''  )  ( resid 18  and name H8    )  3.40 1.35  1.35
assign ( resid 6   and name H2'   )  ( resid 6   and name H8    )  2.40 0.30  0.38
assign ( resid 18  and name H2'   )  ( resid 18  and name H8    )  2.40 0.30  0.38
assign ( resid 6   and name H2''  )  ( resid 7   and name H6    )  2.50 0.30  0.30
assign ( resid 18  and name H2''  )  ( resid 19  and name H6    )  2.50 0.30  0.30
!assign ( resid 6   and name H2'   )  ( resid 7   and name H6    )  3.60 1.35  1.35 !ovl with 7-2''
!assign ( resid 18  and name H2'   )  ( resid 19  and name H6    )  3.60 1.35  1.35
assign ( resid 7   and name H2'   )  ( resid 7   and name H6    )  2.36 0.30  0.30
assign ( resid 19  and name H2'   )  ( resid 19  and name H6    )  2.36 0.30  0.30
!assign ( resid 7   and name H2''  )  ( resid 8   and name H6    )  2.70 1.35  1.35
!assign ( resid 19  and name H2''  )  ( resid 20  and name H6    )  2.70 1.35  1.35 !ovl with 8-2''
!assign ( resid 7   and name H2'   )  ( resid 8   and name H6    )  2.90 0.45  0.45
!assign ( resid 19  and name H2'   )  ( resid 20  and name H6    )  2.90 0.45  0.45
assign ( resid 8   and name H2'   )  ( resid 8   and name H6    )  2.28 0.30  0.30
assign ( resid 20  and name H2'   )  ( resid 20  and name H6    )  2.28 0.30  0.30
assign ( resid 8   and name H2''  )  ( resid 9   and name H6    )  2.68 0.38  0.38
assign ( resid 20  and name H2''  )  ( resid 21  and name H6    )  2.68 0.38  0.38
assign ( resid 8   and name H2'   )  ( resid 9   and name H6    )  3.40 0.60  0.60
assign ( resid 20  and name H2'   )  ( resid 21  and name H6    )  3.40 0.60  0.60
assign ( resid 9   and name H2'   )  ( resid 9   and name H6    )  2.33 0.30  0.30
assign ( resid 21  and name H2'   )  ( resid 21  and name H6    )  2.33 0.30  0.30
assign ( resid 9   and name H2''  )  ( resid 10  and name H8    )  2.92 0.45  0.45
assign ( resid 21  and name H2''  )  ( resid 22  and name H8    )  2.92 0.45  0.45
assign ( resid 9   and name H2'   )  ( resid 10  and name H8    )  3.20 0.45  0.45
assign ( resid 21  and name H2'   )  ( resid 22  and name H8    )  3.20 0.45  0.45
assign ( resid 10  and name H2'   )  ( resid 10  and name H8    )  2.28 0.30  0.30
assign ( resid 22  and name H2'   )  ( resid 22  and name H8    )  2.28 0.30  0.30
assign ( resid 10  and name H2''  )  ( resid 11  and name H6    )  2.80 0.45  0.45
assign ( resid 22  and name H2''  )  ( resid 23  and name H6    )  2.80 0.45  0.45
assign ( resid 10  and name H2'   )  ( resid 11  and name H6    )  3.50 0.75  0.75
assign ( resid 22  and name H2'   )  ( resid 23  and name H6    )  3.50 0.75  0.75
assign ( resid 11  and name H2'   )  ( resid 11  and name H6    )  2.33 0.30  0.30
assign ( resid 23  and name H2'   )  ( resid 23  and name H6    )  2.33 0.30  0.30
assign ( resid 11  and name H2''  )  ( resid 12  and name H8    )  2.90 0.38  0.38
assign ( resid 23  and name H2''  )  ( resid 24  and name H8    )  2.90 0.38  0.38
assign ( resid 11  and name H2'   )  ( resid 12  and name H8    )  3.12 0.45  0.45
assign ( resid 23  and name H2'   )  ( resid 24  and name H8    )  3.12 0.45  0.45
assign ( resid 12  and name H2'   )  ( resid 12  and name H8    )  2.30 0.30  0.30
assign ( resid 24  and name H2'   )  ( resid 24  and name H8    )  2.30 0.30  0.30

assign ( resid 1   and name H4'   )  ( resid 1   and name H1'   )  3.03 0.30  0.30
assign ( resid 13  and name H4'   )  ( resid 13  and name H1'   )  3.03 0.30  0.30
assign ( resid 2   and name H4'   )  ( resid 2   and name H1'   )  2.95 0.30  0.30
assign ( resid 14  and name H4'   )  ( resid 14  and name H1'   )  2.95 0.30  0.30
assign ( resid 3   and name H4'   )  ( resid 3   and name H1'   )  2.81 0.30  0.30
assign ( resid 15  and name H4'   )  ( resid 15  and name H1'   )  2.81 0.30  0.30
assign ( resid 4   and name H4'   )  ( resid 4   and name H1'   )  3.09 0.30  0.30
assign ( resid 16  and name H4'   )  ( resid 16  and name H1'   )  3.09 0.30  0.30
assign ( resid 5   and name H4'   )  ( resid 5   and name H1'   )  2.95 0.30  0.30
assign ( resid 17  and name H4'   )  ( resid 17  and name H1'   )  2.95 0.30  0.30
assign ( resid 6   and name H4'   )  ( resid 6   and name H1'   )  2.90 0.30  0.30
assign ( resid 18  and name H4'   )  ( resid 18  and name H1'   )  2.90 0.30  0.30
assign ( resid 7   and name H4'   )  ( resid 7   and name H1'   )  3.00 0.45  0.45 !part ovl H5'
assign ( resid 19  and name H4'   )  ( resid 19  and name H1'   )  3.00 0.45  0.45
assign ( resid 8   and name H4'   )  ( resid 8   and name H1'   )  2.90 0.45  0.45
assign ( resid 20  and name H4'   )  ( resid 20  and name H1'   )  2.90 0.45  0.45
assign ( resid 9   and name H4'   )  ( resid 9   and name H1'   )  2.86 0.30  0.30
assign ( resid 21  and name H4'   )  ( resid 21  and name H1'   )  2.86 0.30  0.30
assign ( resid 10  and name H4'   )  ( resid 10  and name H1'   )  3.10 0.30  0.30
assign ( resid 22  and name H4'   )  ( resid 22  and name H1'   )  3.10 0.30  0.30
assign ( resid 11  and name H4'   )  ( resid 11  and name H1'   )  2.86 0.40  0.40
assign ( resid 23  and name H4'   )  ( resid 23  and name H1'   )  2.86 0.40  0.40
assign ( resid 12  and name H4'   )  ( resid 12  and name H1'   )  2.90 0.30  0.30
assign ( resid 24  and name H4'   )  ( resid 24  and name H1'   )  2.90 0.30  0.30

assign ( resid 2   and name H2''  )  ( resid 3   and name H5    )  3.00 0.45  0.45
assign ( resid 14  and name H2''  )  ( resid 15  and name H5    )  3.00 0.45  0.45
assign ( resid 2   and name H2'   )  ( resid 3   and name H5    )  3.70 0.60  0.60
assign ( resid 14  and name H2'   )  ( resid 15  and name H5    )  3.70 0.60  0.60
assign ( resid 8   and name H2''  )  ( resid 9   and name H5    )  3.20 0.45  0.45
assign ( resid 20  and name H2''  )  ( resid 21  and name H5    )  3.20 0.45  0.45
assign ( resid 8   and name H2'   )  ( resid 9   and name H5    )  3.30 0.45  0.45
assign ( resid 20  and name H2'   )  ( resid 21  and name H5    )  3.30 0.45  0.45
assign ( resid 10  and name H2''  )  ( resid 11  and name H5    )  3.10 0.60  0.60
assign ( resid 22  and name H2''  )  ( resid 23  and name H5    )  3.10 0.60  0.60

assign ( resid 1   and name H1'   )  ( resid 2   and name H5'   )  3.30 0.6  0.6
assign ( resid 13  and name H1'   )  ( resid 14  and name H5'   )  3.30 0.6  0.6
!assign ( resid 2   and name H1'   )  ( resid 3   and name H5'   )  2.90 0.5  0.5
!assign ( resid 14  and name H1'   )  ( resid 15  and name H5'   )  2.90 0.5  0.5
assign ( resid 3   and name H1'   )  ( resid 4   and name H5'   )  3.52 0.6  0.6
assign ( resid 15  and name H1'   )  ( resid 16  and name H5'   )  3.52 0.6  0.6
assign ( resid 4   and name H1'   )  ( resid 5   and name H5'   )  3.12 0.6  0.6
assign ( resid 16  and name H1'   )  ( resid 17  and name H5'   )  3.12 0.6  0.6
assign ( resid 5   and name H1'   )  ( resid 6   and name H5'   )  3.02 0.6  0.6
assign ( resid 17  and name H1'   )  ( resid 18  and name H5'   )  3.02 0.6  0.6
assign ( resid 6   and name H1'   )  ( resid 7   and name H5'   )  2.90 0.6  0.6
assign ( resid 18  and name H1'   )  ( resid 19  and name H5'   )  2.90 0.6  0.6
assign ( resid 8   and name H1'   )  ( resid 9   and name H5'   )  3.02 0.6  0.6
assign ( resid 20  and name H1'   )  ( resid 21  and name H5'   )  3.02 0.6  0.6
assign ( resid 9   and name H1'   )  ( resid 10  and name H5'   )  3.43 0.6  0.6
assign ( resid 21  and name H1'   )  ( resid 22  and name H5'   )  3.43 0.6  0.6
assign ( resid 10  and name H1'   )  ( resid 11  and name H5'   )  3.13 0.6  0.6
assign ( resid 22  and name H1'   )  ( resid 23  and name H5'   )  3.13 0.6  0.6
!assign ( resid 11  and name H1'   )  ( resid 12  and name H5'   )  3.12 0.4  0.4
!assign ( resid 23  and name H1'   )  ( resid 24  and name H5'   )  3.12 0.4  0.4


assign ( resid 10  and name H8    )  ( resid 11  and name H5    )  3.20 0.6  0.6
assign ( resid 22  and name H8    )  ( resid 23  and name H5    )  3.20 0.6  0.6
assign ( resid 8   and name H6    )  ( resid 9   and name H5    )  3.30 0.6  0.6
assign ( resid 20  and name H6    )  ( resid 21  and name H5    )  3.30 0.6  0.6

!methyls

assign ( resid 6   and name H8    )  ( resid 7   and name H5#   )  2.57 0.3  0.3
assign ( resid 18  and name H8    )  ( resid 19  and name H5#   )  2.57 0.3  0.3
assign ( resid 7   and name H6    )  ( resid 8   and name H5#   )  2.59 0.3  0.3
assign ( resid 19  and name H6    )  ( resid 20  and name H5#   )  2.59 0.3  0.3
!assign ( resid 6   and name H3'   )  ( resid 7   and name H5#   )  3.24 0.45  0.45
!assign ( resid 18  and name H3'   )  ( resid 19  and name H5#   )  3.24 0.45  0.45
!assign ( resid 7   and name H3'   )  ( resid 8   and name H5#   )  3.00 0.38 0.38
!assign ( resid 19  and name H3'   )  ( resid 20  and name H5#   )  3.00 0.38 0.38
assign ( resid 6   and name H2''  )  ( resid 7   and name H5#   )  2.63 0.3  0.3
assign ( resid 18  and name H2''  )  ( resid 19  and name H5#   )  2.63 0.3  0.3
assign ( resid 6   and name H2'   )  ( resid 7   and name H5#   )  2.62 0.3  0.3
assign ( resid 18  and name H2'   )  ( resid 19  and name H5#   )  2.62 0.3  0.3
assign ( resid 7   and name H2''  )  ( resid 8   and name H5#   )  2.63 0.3  0.3
assign ( resid 19  and name H2''  )  ( resid 20  and name H5#   )  2.63 0.3  0.3
assign ( resid 7   and name H2'   )  ( resid 8   and name H5#   )  2.53 0.3  0.3
assign ( resid 19  and name H2'   )  ( resid 20  and name H5#   )  2.53 0.3  0.3
assign ( resid 7   and name H5#   )  ( resid 8   and name H5#   )  2.60 0.6  0.6
assign ( resid 19  and name H5#   )  ( resid 20  and name H5#   )  2.60 0.6  0.6

!addition
assign ( resid 8 and name H6 ) ( ( resid 7 and name H2'' ) or ( resid 8 and name H2'' ) )  2.4 0.45 0.45
assign ( resid 20 and name H6 ) ( ( resid 19 and name H2'' ) or ( resid 20 and name H2'' ) )  2.4 0.45 0.45




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