NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
532238 | 2l29 | 17127 | cing | 1-original | 5 | XPLOR/CNS | distance | hydrogen bond | simple |
{===========================================================} ! mainchain hydrogen bond distance restraints ! automatically generated by script hydrogen_bonds.inp ! O--N distance <= 3.2 Angstrom ! C--O--N angle >= 120.0 degrees ! input structure file: /home/chxcw/Structure_calc/Triple/Complex/ARIA2/run103/cns/begin/Complex.psf ! input coordinate file: /home/chxcw/Structure_calc/Triple/Complex/ARIA2/run103/structures/refine/Complex_258_water.pdb ! CNS version: 1.2 date: 22-Jan-2010 user: chxcw {===========================================================} assign ( segid " B" and resid 12 and name O ) ( segid " B" and resid 16 and name N ) 2.8 0.4 0.5 assign ( segid " B" and resid 13 and name O ) ( segid " B" and resid 17 and name N ) 2.8 0.4 0.5 assign ( segid " B" and resid 14 and name O ) ( segid " B" and resid 18 and name N ) 2.8 0.4 0.5 assign ( segid " B" and resid 15 and name O ) ( segid " B" and resid 19 and name N ) 2.8 0.4 0.5 assign ( segid " B" and resid 16 and name O ) ( segid " B" and resid 19 and name N ) 2.8 0.4 0.5 assign ( segid " B" and resid 16 and name O ) ( segid " B" and resid 20 and name N ) 2.8 0.4 0.5 ! assign ( segid " B" and resid 18 and name O ) ! ( segid " B" and resid 21 and name N ) 2.8 0.4 0.5 assign ( segid " B" and resid 17 and name O ) ( segid " B" and resid 21 and name N ) 2.8 0.4 0.5 assign ( segid " B" and resid 43 and name O ) ( segid " B" and resid 47 and name N ) 2.8 0.4 0.5 ! assign ( segid " B" and resid 44 and name O ) ! ( segid " B" and resid 48 and name N ) 2.8 0.4 0.5 ! assign ( segid " B" and resid 45 and name O ) ! ( segid " B" and resid 49 and name N ) 2.8 0.4 0.5 assign ( segid " B" and resid 53 and name O ) ( segid " B" and resid 56 and name N ) 2.8 0.4 0.5 assign ( segid " B" and resid 53 and name O ) ( segid " B" and resid 57 and name N ) 2.8 0.4 0.5 assign ( segid " B" and resid 55 and name O ) ( segid " B" and resid 59 and name N ) 2.8 0.4 0.5 assign ( segid " B" and resid 56 and name O ) ( segid " B" and resid 60 and name N ) 2.8 0.4 0.5 {===========================================================} ! mainchain hydrogen bond distance restraints ! automatically generated by script hydrogen_bonds.inp ! O--N distance <= 3.2 Angstrom ! C--O--N angle >= 120.0 degrees ! input structure file: /home/chxcw/Structure_calculations/Triple/run1/begin/Triple.psf ! input coordinate file: triple_hadded_renum.pdb ! CNS version: 1.2 date: 30-Jan-2009 user: chxcw {===========================================================} assign ( segid " A" and resid 1518 and name O ) ( segid " A" and resid 1527 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1525 and name O ) ( segid " A" and resid 1520 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1527 and name O ) ( segid " A" and resid 1518 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1538 and name O ) ( segid " A" and resid 1550 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1540 and name O ) ( segid " A" and resid 1548 and name N ) 2.8 0.4 0.5 ! assign ( segid " A" and resid 1542 and name N ) ! ( segid " A" and resid 1546 and name O ) 2.8 0.4 0.5 assign ( segid " A" and resid 1547 and name O ) ( segid " A" and resid 1568 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1548 and name O ) ( segid " A" and resid 1540 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1549 and name O ) ( segid " A" and resid 1566 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1550 and name O ) ( segid " A" and resid 1538 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1562 and name O ) ( segid " A" and resid 1577 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1564 and name O ) ( segid " A" and resid 1551 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1565 and name O ) ( segid " A" and resid 1574 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1566 and name O ) ( segid " A" and resid 1549 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1575 and name O ) ( segid " A" and resid 1564 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1582 and name O ) ( segid " A" and resid 1589 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1584 and name O ) ( segid " A" and resid 1587 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1587 and name O ) ( segid " A" and resid 1584 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1588 and name O ) ( segid " A" and resid 1612 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1590 and name O ) ( segid " A" and resid 1610 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1592 and name O ) ( segid " A" and resid 1608 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1604 and name O ) ( segid " A" and resid 1598 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1607 and name O ) ( segid " A" and resid 1636 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1608 and name O ) ( segid " A" and resid 1592 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1610 and name O ) ( segid " A" and resid 1590 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1611 and name O ) ( segid " A" and resid 1640 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1612 and name O ) ( segid " A" and resid 1588 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1613 and name O ) ( segid " A" and resid 1642 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1625 and name O ) ( segid " A" and resid 1639 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1628 and name O ) ( segid " A" and resid 1637 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1630 and name O ) ( segid " A" and resid 1634 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1634 and name O ) ( segid " A" and resid 1607 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1635 and name O ) ( segid " A" and resid 1630 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1636 and name O ) ( segid " A" and resid 1609 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1637 and name O ) ( segid " A" and resid 1627 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1638 and name O ) ( segid " A" and resid 1611 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1639 and name O ) ( segid " A" and resid 1625 and name N ) 2.8 0.4 0.5 assign ( segid " A" and resid 1640 and name O ) ( segid " A" and resid 1613 and name N ) 2.8 0.4 0.5
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