NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
21653 |
2hug   |
7241 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
!This table is created for M14peptide calcn.
!A1
!assign (segid "B " and resid 1 and name HA )(segid "B " and resid 1 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 1 and name HB# )(segid "B " and resid 1 and name HN ) 4.5 2.7 1.5
!assign (segid "B " and resid 1 and name HB# )(segid "B " and resid 2 and name HN ) 4.5 2.7 1.5
!assign (segid "B " and resid 1 and name HA )(segid "B " and resid 2 and name HN ) 4.5 2.7 0.5
!P2
!assign (segid "B " and resid 2 and name HA )(segid "B " and resid 2 and name HN ) 4.5 2.7 0.5
!assign (segid "B " and resid 2 and name HB# )(segid "B " and resid 2 and name HN ) 4.5 2.7 1.0
!assign (segid "B " and resid 2 and name HG# )(segid "B " and resid 2 and name HN ) 4.5 2.7 1.0
!assign (segid "B " and resid 2 and name HD# )(segid "B " and resid 2 and name HN ) 4.5 2.7 1.0
!assign (segid "B " and resid 2 and name HA )(segid "B " and resid 3 and name HN ) 4.5 2.7 0.5
!assign (segid "B " and resid 2 and name HB# )(segid "B " and resid 3 and name HN ) 4.5 2.7 1.0
!assign (segid "B " and resid 2 and name HG# )(segid "B " and resid 3 and name HN ) 4.5 2.7 1.0
!assign (segid "B " and resid 2 and name HD# )(segid "B " and resid 3 and name HN ) 4.5 2.7 1.0
!P3
!assign (segid "B " and resid 3 and name HA )(segid "B " and resid 3 and name HN ) 4.5 2.7 0.5
!assign (segid "B " and resid 3 and name HB# )(segid "B " and resid 3 and name HN ) 4.5 2.7 1.0
!assign (segid "B " and resid 3 and name HG# )(segid "B " and resid 3 and name HN ) 4.5 2.7 1.0
!assign (segid "B " and resid 3 and name HD# )(segid "B " and resid 3 and name HN ) 4.5 2.7 1.0
!assign (segid "B " and resid 3 and name HN )(segid "B " and resid 4 and name HN ) 4.5 2.7 0.5
!assign (segid "B " and resid 3 and name HA )(segid "B " and resid 4 and name HN ) 5.0 2.7 0.5
!assign (segid "B " and resid 3 and name HB# )(segid "B " and resid 4 and name HN ) 5.0 2.7 1.0
!assign (segid "B " and resid 3 and name HG# )(segid "B " and resid 4 and name HN ) 5.0 2.7 1.0
!assign (segid "B " and resid 3 and name HD# )(segid "B " and resid 4 and name HN ) 5.0 2.7 1.0
!G4
assign (segid "B " and resid 4 and name HA# )(segid "B " and resid 4 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 4 and name HA# )(segid "B " and resid 5 and name HN ) 4.5 2.5 1.0
assign (segid "B " and resid 4 and name HN )(segid "B " and resid 5 and name HN ) 5.5 3.7 0.5
!T5
assign (segid "B " and resid 5 and name HA )(segid "B " and resid 5 and name HN ) 4.0 2.2 0.5
assign (segid "B " and resid 5 and name HB )(segid "B " and resid 5 and name HN ) 4.0 2.2 0.5
assign (segid "B " and resid 5 and name HG# )(segid "B " and resid 5 and name HN ) 4.0 2.2 1.5
assign (segid "B " and resid 5 and name HN )(segid "B " and resid 6 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 5 and name HA )(segid "B " and resid 6 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 5 and name HB )(segid "B " and resid 6 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 5 and name HG# )(segid "B " and resid 6 and name HN ) 4.5 2.7 1.5
!A6
assign (segid "B " and resid 6 and name HA )(segid "B " and resid 6 and name HN ) 4.0 2.2 0.5
assign (segid "B " and resid 6 and name HB# )(segid "B " and resid 6 and name HN ) 4.0 2.2 1.5
assign (segid "B " and resid 6 and name HA )(segid "B " and resid 7 and name HN ) 3.5 1.7 0.5
assign (segid "B " and resid 6 and name HB# )(segid "B " and resid 7 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 6 and name HN )(segid "B " and resid 7 and name HN ) 4.5 2.7 0.5
!R7
assign (segid "B " and resid 7 and name HA )(segid "B " and resid 7 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 7 and name HB# )(segid "B " and resid 7 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 7 and name HG# )(segid "B " and resid 7 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 7 and name HD# )(segid "B " and resid 7 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 7 and name HA )(segid "B " and resid 8 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 7 and name HB# )(segid "B " and resid 8 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 7 and name HN )(segid "B " and resid 8 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 7 and name HD# )(segid "B " and resid 8 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 7 and name HG# )(segid "B " and resid 8 and name HN ) 5.0 3.2 1.0
!R8
assign (segid "B " and resid 8 and name HA )(segid "B " and resid 8 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 8 and name HB# )(segid "B " and resid 8 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 8 and name HG# )(segid "B " and resid 8 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 8 and name HD# )(segid "B " and resid 8 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 8 and name HA )(segid "B " and resid 9 and name HN ) 5.0 3.2 0.5
assign (segid "B " and resid 8 and name HB# )(segid "B " and resid 9 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 8 and name HN )(segid "B " and resid 9 and name HN ) 4.0 2.2 0.5
assign (segid "B " and resid 8 and name HD# )(segid "B " and resid 9 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 8 and name HG# )(segid "B " and resid 9 and name HN ) 4.0 2.2 1.0
!K9
assign (segid "B " and resid 9 and name HA )(segid "B " and resid 9 and name HN ) 4.5 1.7 0.5
assign (segid "B " and resid 9 and name HB# )(segid "B " and resid 9 and name HN ) 4.5 1.7 1.0
assign (segid "B " and resid 9 and name HG# )(segid "B " and resid 9 and name HN ) 4.5 1.7 1.0
assign (segid "B " and resid 9 and name HD# )(segid "B " and resid 9 and name HN ) 4.5 1.7 1.0
assign (segid "B " and resid 9 and name HA )(segid "B " and resid 10 and name HN ) 4.5 1.7 0.5
assign (segid "B " and resid 9 and name HB# )(segid "B " and resid 10 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 9 and name HN )(segid "B " and resid 10 and name HN ) 4.5 1.7 0.5
assign (segid "B " and resid 9 and name HG# )(segid "B " and resid 10 and name HN ) 4.5 1.7 1.0
assign (segid "B " and resid 9 and name HD# )(segid "B " and resid 10 and name HN ) 4.5 1.7 1.0
!R10
assign (segid "B " and resid 10 and name HA )(segid "B " and resid 10 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 10 and name HB# )(segid "B " and resid 10 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 10 and name HG# )(segid "B " and resid 10 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 10 and name HD# )(segid "B " and resid 10 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 10 and name HA )(segid "B " and resid 11 and name HN ) 4.0 1.2 0.5
assign (segid "B " and resid 10 and name HB# )(segid "B " and resid 11 and name HN ) 4.5 1.7 1.0
assign (segid "B " and resid 10 and name HN )(segid "B " and resid 11 and name HN ) 4.0 2.2 0.5
assign (segid "B " and resid 10 and name HD# )(segid "B " and resid 11 and name HN ) 4.5 1.7 1.0
assign (segid "B " and resid 10 and name HG# )(segid "B " and resid 11 and name HN ) 4.0 2.2 1.0
!K11
assign (segid "B " and resid 11 and name HA )(segid "B " and resid 11 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 11 and name HB# )(segid "B " and resid 11 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 11 and name HG# )(segid "B " and resid 11 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 11 and name HD# )(segid "B " and resid 11 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 11 and name HA )(segid "B " and resid 12 and name HN ) 3.5 1.7 0.5
assign (segid "B " and resid 11 and name HB# )(segid "B " and resid 12 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 11 and name HN )(segid "B " and resid 12 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 11 and name HG# )(segid "B " and resid 12 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 11 and name HD# )(segid "B " and resid 12 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 11 and name HB# )(segid "B " and resid 13 and name HN ) 4.0 2.2 1.0
A12
assign (segid "B " and resid 12 and name HA )(segid "B " and resid 12 and name HN ) 4.0 2.2 0.5
assign (segid "B " and resid 12 and name HB# )(segid "B " and resid 12 and name HN ) 4.0 2.2 1.5
assign (segid "B " and resid 12 and name HA )(segid "B " and resid 13 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 12 and name HB# )(segid "B " and resid 13 and name HN ) 4.5 2.7 1.5
assign (segid "B " and resid 12 and name HN )(segid "B " and resid 13 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 12 and name HB# )(segid "B " and resid 14 and name HN ) 4.5 2.7 1.5
!D13
assign (segid "B " and resid 13 and name HA )(segid "B " and resid 13 and name HN ) 4.0 2.2 0.5
assign (segid "B " and resid 13 and name HB# )(segid "B " and resid 13 and name HN ) 4.0 2.2 1.0
assign (segid "B " and resid 13 and name HA )(segid "B " and resid 14 and name HN ) 4.5 2.7 0.5
assign (segid "B " and resid 13 and name HB# )(segid "B " and resid 14 and name HN ) 4.5 2.7 1.0
assign (segid "B " and resid 13 and name HN )(segid "B " and resid 14 and name HN ) 4.5 2.7 0.5
!S14
assign (segid "B " and resid 14 and name HA )(segid "B " and resid 14 and name HN ) 4.0 2.2 0.5
assign (segid "B " and resid 14 and name HB# )(segid "B " and resid 14 and name HN ) 4.0 2.2 1.0
!This table created by using intermolecular NOE peaks with segid ("A"- protein, "B" - peptide) for solving complex structure.
!E6 of CD2
assign (segid "B " and resid 8 and name HG# )(segid "A " and resid 6 and name HN ) 6.5 4.7 0.5
assign (segid "B " and resid 8 and name HN )(segid "A " and resid 6 and name HN ) 6.5 4.7 0.5
!Y7 of CD2
assign (segid "B " and resid 5 and name HG )(segid "A " and resid 7 and name HB# ) 5.5 3.7 1.0
!A8 of CD2
assign (segid "B " and resid 8 and name HA )(segid "A " and resid 8 and name HB# ) 6.0 4.2 1.5
assign (segid "B " and resid 8 and name HE )(segid "A " and resid 8 and name HB# ) 5.5 3.7 1.5
assign (segid "B " and resid 8 and name HB# )(segid "A " and resid 8 and name HB# ) 5.0 3.2 1.5
assign (segid "B " and resid 8 and name HG# )(segid "A " and resid 8 and name HB# ) 5.0 3.2 1.5
assign (segid "B " and resid 8 and name HB# )(segid "A " and resid 8 and name HN ) 6.5 4.7 0.5
assign (segid "B " and resid 8 and name HN )(segid "A " and resid 8 and name HN ) 6.5 4.7 0.5
!E9 of CD2
assign (segid "B " and resid 8 and name HB# )(segid "A " and resid 9 and name HN ) 5.5 3.7 1.0
assign (segid "B " and resid 8 and name HD# )(segid "A " and resid 9 and name HN ) 5.5 3.7 1.0
assign (segid "B " and resid 5 and name HG )(segid "A " and resid 9 and name HA ) 4.5 2.7 0.5
assign (segid "B " and resid 5 and name HG )(segid "A " and resid 9 and name HG# ) 6.0 3.2 1.0
assign (segid "B " and resid 5 and name HA )(segid "A " and resid 9 and name HA ) 4.0 1.2 0.5
!V10 of CD2
assign (segid "B " and resid 5 and name HA )(segid "A " and resid 10 and name HG# ) 6.0 4.2 1.5
assign (segid "B " and resid 5 and name HB# )(segid "A " and resid 10 and name HG# ) 5.5 3.7 1.5
assign (segid "B " and resid 5 and name HA )(segid "A " and resid 10 and name HN ) 5.0 3.2 0.5
assign (segid "B " and resid 5 and name HG )(segid "A " and resid 10 and name HN ) 5.0 3.2 0.5
assign (segid "B " and resid 7 and name HB# )(segid "A " and resid 10 and name HG# ) 6.0 4.2 1.5
!L26 of CD2
assign (segid "B " and resid 5 and name HN )(segid "A " and resid 26 and name HD# ) 5.0 3.2 1.5
assign (segid "B " and resid 6 and name HN )(segid "A " and resid 26 and name HD# ) 6.0 4.2 1.5
!V38 of CD2
assign (segid "B " and resid 8 and name HB# )(segid "A " and resid 38 and name HG# ) 6.0 4.2 1.5
assign (segid "B " and resid 8 and name HG# )(segid "A " and resid 38 and name HG# ) 6.0 4.2 1.5
!D22 of CD2
assign (segid "B " and resid 13 and name HB# )(segid "A " and resid 22 and name HN ) 5.0 3.2 1.0
!H42
assign (segid "B " and resid 9 and name HB# )(segid "A " and resid 42 and name HB# ) 6.0 4.2 1.0
!A44 of CD2
assign (segid "B " and resid 14 and name HB# )(segid "A " and resid 44 and name HB# ) 5.0 3.2 1.5
assign (segid "B " and resid 14 and name HA )(segid "A " and resid 44 and name HB# ) 5.0 3.2 1.5
assign (segid "B " and resid 10 and name HE )(segid "A " and resid 44 and name HB# ) 6.0 4.2 1.5
assign (segid "B " and resid 10 and name HB# )(segid "A " and resid 44 and name HB# ) 6.0 4.2 1.5
assign (segid "B " and resid 10 and name HG# )(segid "A " and resid 44 and name HB# ) 6.0 4.2 1.5
assign (segid "B " and resid 10 and name HD# )(segid "A " and resid 44 and name HB# ) 6.0 4.2 1.5
assign (segid "B " and resid 11 and name HB# )(segid "A " and resid 44 and name HB# ) 6.0 4.2 1.5
assign (segid "B " and resid 11 and name HG# )(segid "A " and resid 44 and name HB# ) 6.5 4.7 1.5
assign (segid "B " and resid 11 and name HA )(segid "A " and resid 44 and name HB# ) 6.0 4.2 1.5
assign (segid "B " and resid 11 and name HA )(segid "A " and resid 44 and name HN ) 6.5 4.2 0.5
assign (segid "B " and resid 11 and name HB# )(segid "A " and resid 44 and name HN ) 6.5 4.7 0.5
!V47 of CD2
assign (segid "B " and resid 14 and name HB# )(segid "A " and resid 47 and name HG# ) 6.0 4.2 1.5
assign (segid "B " and resid 14 and name HA )(segid "A " and resid 47 and name HG# ) 6.0 4.2 1.5
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