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 |
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22394 |
2joa   |
15154 | cing | 1-original | 4 | XPLOR/CNS | distance | hydrogen bond | simple |
! 20060202a several H-bonds based on structures from 20060130a ! ! INTRA-molecular hydrogen bond restraints ! ! 11-41 !resid 11 has slo xchng data and noes to support the following bond: !assign (resid 11 and name HN and segid A )(resid 41 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 11 and name N and segid A )(resid 41 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 13-38 !resid 13 has slo xchng data and noes to support the following bond: assign (resid 13 and name HN and segid A )(resid 38 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 13 and name N and segid A )(resid 38 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 17-? !resid 13 has slo xchng data and noes to support the following bond: !assign (resid 17 and name HN and segid A )(resid 38 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 17 and name N and segid A )(resid 38 and name O and segid A ) 3.4 0.9 0.0 ! ! !************* Helix 1 ********************* ! only resid 20 has slow exchanging amide assign (resid 20 and name HN and segid A )(resid 16 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 20 and name N and segid A )(resid 16 and name O and segid A ) 3.4 0.9 0.0 ! ! !assign (resid 21 and name HN and segid A )(resid 17 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 21 and name N and segid A )(resid 17 and name O and segid A ) 3.4 0.9 0.0 ! ! !assign (resid 22 and name HN and segid A )(resid 18 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 22 and name N and segid A )(resid 18 and name O and segid A ) 3.4 0.9 0.0 ! ! !assign (resid 23 and name HN and segid A )(resid 19 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 23 and name N and segid A )(resid 19 and name O and segid A ) 3.4 0.9 0.0 ! ! !assign (resid 24 and name HN and segid A )(resid 20 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 24 and name N and segid A )(resid 20 and name O and segid A ) 3.4 0.9 0.0 ! ! !assign (resid 25 and name HN and segid A )(resid 21 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 25 and name N and segid A )(resid 21 and name O and segid A ) 3.4 0.9 0.0 ! ! !assign (resid 26 and name HN and segid A )(resid 22 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 26 and name N and segid A )(resid 22 and name O and segid A ) 3.4 0.9 0.0 ! ! !assign (resid 27 and name HN and segid A )(resid 23 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 27 and name N and segid A )(resid 23 and name O and segid A ) 3.4 0.9 0.0 ! !********************************************* ! !37-59 !resid 37 has slo xchng data and noes to support the following bond: assign (resid 37 and name HN and segid A )(resid 59 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 37 and name N and segid A )(resid 59 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 38-13 !resid 38 has slo xchng data and noes to support the following bond: assign (resid 38 and name HN and segid A )(resid 13 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 38 and name N and segid A )(resid 13 and name O and segid A ) 3.4 0.9 0.0 ! ! !39-57 !resid 39 has slo xchng data and noes to support the following bond: assign (resid 39 and name HN and segid A )(resid 57 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 39 and name N and segid A )(resid 57 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 40-11 (ADDED 20060131B /REMOVED 20060131C) !resid 41 has slo xchng data and noes to support the following bond: !assign (resid 40 and name HN and segid A )(resid 11 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 40 and name N and segid A )(resid 11 and name O and segid A ) 3.4 0.9 0.0 ! ! 41-11 !resid 41 has slo xchng data and noes to support the following bond: !assign (resid 41 and name HN and segid A )(resid 11 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 41 and name N and segid A )(resid 11 and name O and segid A ) 3.4 0.9 0.0 ! ! !! 42-? !resid 84 has slo xchng data and but not enough noe support for a restraint ! assign (resid 42 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 42 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 43-9 (ADDED 20060131B) !resid 84 has slo xchng data and but not enough noe support for a restraint !assign (resid 43 and name HN and segid A )(resid 9 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 43 and name N and segid A )(resid 9 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 45-61 !resid 45 has slo xchng data and but not enough noe support for a restraint ! assign (resid 45 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 45 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 46-? !resid 46 has slo xchng data and but not enough noe support for a restraint ! assign (resid 46 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 46 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 48-? !resid 46 has slo xchng data and but not enough noe support for a restraint ! assign (resid 48 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 48 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 ! ! ! ******************* HElix 2 ********************************************************************* ! ! Only resid 51 has xchange data and noes to backup h-bond !assign (resid 49 and name HN and segid A )(resid 46 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 49 and name N and segid A )(resid 46 and name O and segid A ) 3.4 0.9 0.0 ! ! !assign (resid 50 and name HN and segid A )(resid 46 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 50 and name N and segid A )(resid 46 and name O and segid A ) 3.4 0.9 0.0 ! ! assign (resid 51 and name HN and segid A )(resid 47 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 51 and name N and segid A )(resid 47 and name O and segid A ) 3.4 0.9 0.0 ! ! ! residues 52 & 53 are involve in a reverse turn !assign (resid 52 and name HN and segid A )(resid 49 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 52 and name N and segid A )(resid 49 and name O and segid A ) 3.4 0.9 0.0 ! ! ! (ADDED 20060131B) assign (resid 53 and name HN and segid A )(resid 48 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 53 and name N and segid A )(resid 48 and name O and segid A ) 3.4 0.9 0.0 ! ! ! **************************************************************************************************** ! ! 55-? !resid 55 has slo xchng data and but not enough noe support for a restraint ! assign (resid 55 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 55 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 56-? !resid 56 has slo xchng data and but not enough noe support for a restraint ! assign (resid 56 and name HN and segid A )(resid 39 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 56 and name N and segid A )(resid 39 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 57-? !resid 57 has slo xchng data and but not enough noe support for a restraint ! assign (resid 57 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 57 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 58-? !resid 58 has slo xchng data and but not enough noe support for a restraint ! assign (resid 58 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 58 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 59-37 !resid 59 has slo xchng data and noes to support the following bond: assign (resid 59 and name HN and segid A )(resid 37 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 59 and name N and segid A )(resid 37 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 61-86 (ADDED 20060131B / REMOVED 20060131D) !resid 61 has slo xchng data and noes to support the following bond: !assign (resid 61 and name HN and segid A )(resid 86 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 61 and name N and segid A )(resid 86 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 62-65 (ADDED 20060131B) !resid 62 has slo xchng data and but not enough noe support for a restraint assign (resid 62 and name HN and segid A )(resid 65 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 62 and name N and segid A )(resid 65 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 67-60 (ADDED 20060131B) !resid 67 has slo xchng data and but not enough noe support for a restraint assign (resid 67 and name HN and segid A )(resid 60 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 67 and name N and segid A )(resid 60 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 46-? !resid 46 has slo xchng data and but not enough noe support for a restraint ! assign (resid 46 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 46 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 ! ! ! *************** helix 3 ****************************************************************************** ! !resid. 73 & 77 have slo xchng data and noes to support hbonds assign (resid 73 and name HN and segid A )(resid 69 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 73 and name N and segid A )(resid 69 and name O and segid A ) 3.4 0.9 0.0 ! ! !(ADDED 20060131B) !assign (resid 74 and name HN and segid A )(resid 70 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 74 and name N and segid A )(resid 70 and name O and segid A ) 3.4 0.9 0.0 ! ! !(ADDED 20060131B) !assign (resid 75 and name HN and segid A )(resid 71 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 75 and name N and segid A )(resid 71 and name O and segid A ) 3.4 0.9 0.0 ! ! !(ADDED 20060131B) !assign (resid 76 and name HN and segid A )(resid 72 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 76 and name N and segid A )(resid 72 and name O and segid A ) 3.4 0.9 0.0 ! ! ! assign (resid 77 and name HN and segid A )(resid 73 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 77 and name N and segid A )(resid 73 and name O and segid A ) 3.4 0.9 0.0 ! ! !(ADDED 20060131B) assign (resid 78 and name HN and segid A )(resid 74 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 78 and name N and segid A )(resid 74 and name O and segid A ) 3.4 0.9 0.0 ! ! !****************************************************************************************************** ! ! 84-61 !resid 84 has slo xchng data and noes to support the following bond: ! assign (resid 84 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 84 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 85-96 !resid 85 has slo xchng data and noes to support the following bond: assign (resid 85 and name HN and segid A )(resid 96 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 85 and name N and segid A )(resid 96 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 86-61 (ADDED 20060131B / REMOVED 20060131D) !resid 86 has slo xchng data and but not enough noe support for a restraint !assign (resid 86 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 86 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 ! ! ! ??? 86-60 ??? !resid 86 has slo xchng data and but not enough noe support for a restraint !assign (resid 86 and name HN and segid A )(resid 60 and name O and segid A ) 2.3 0.7 0.0 ! !assign (resid 86 and name N and segid A )(resid 60 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 87-94 (ADDED 20060131B) !resid 87 has slo xchng data and but not enough noe support for a restraint assign (resid 87 and name HN and segid A )(resid 94 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 87 and name N and segid A )(resid 94 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 89-92 (ADDED 20060131B) !resid 89 has slo xchng data and noes to support the following bond: assign (resid 89 and name HN and segid A )(resid 92 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 89 and name N and segid A )(resid 92 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 92-89 !resid 92 has slo xchng data and noes to support the following bond: assign (resid 92 and name HN and segid A )(resid 89 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 92 and name N and segid A )(resid 89 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 94-87 !resid 94 has slo xchng data and noes to support the following bond: assign (resid 94 and name HN and segid A )(resid 87 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 94 and name N and segid A )(resid 87 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 96-85 !resid 96 has slo xchng data and noes to support the following bond: assign (resid 96 and name HN and segid A )(resid 85 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 96 and name N and segid A )(resid 85 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 98-83 !resid 98 has slo xchng data and noes to support the following bond: assign (resid 98 and name HN and segid A )(resid 83 and name O and segid A ) 2.3 0.7 0.0 ! assign (resid 98 and name N and segid A )(resid 83 and name O and segid A ) 3.4 0.9 0.0 ! ! ! 99-? !resid 99 has slo xchng data and but no noes to support a restraint ! assign (resid 99 and name HN and segid A )(resid 61 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 99 and name N and segid A )(resid 61 and name O and segid A ) 3.4 0.9 0.0 ! ! !Intermolecular hbonds ! ! 8-127 CO2 !resid 8 has slo xchng data BUT NOT noes to support the following bond: !assign (resid 8 and name HN and segid A )(resid 127 and name O and segid B ) 2.3 0.7 0.0 ! !assign (resid 8 and name N and segid A )(resid 127 and name O and segid B ) 3.4 0.9 0.0 ! ! ! 9-127 CO2 !resid 9 has slo xchng data BUT NOT noes to support the following bond: !assign (resid 9 and name HN and segid A )(resid 127 and name OXT and segid B ) 2.3 0.7 0.0 ! !assign (resid 9 and name N and segid A )(resid 127 and name OXT and segid B ) 3.4 0.9 0.0 ! ! ! 10-127 CO2 !resid 10 has slo xchng data and noes to support the following bond: !assign (resid 10 and name HN and segid A )(resid 127 and name OXT and segid B ) 2.3 0.7 0.0 ! !assign (resid 10 and name N and segid A )(resid 127 and name OXT and segid B ) 3.4 0.9 0.0 ! ! ! 127hn-10o ! NO DATA TO SUPPORT THIS! !assign (resid 127 and name HN and segid A )(resid 10 and name O and segid B ) 2.3 0.7 0.0 ! !assign (resid 127 and name N and segid A )(resid 10 and name O and segid B ) 3.4 0.9 0.0 ! ! ! 12-125 !resid 12 has slo xchng data and noes to support the following bond: assign (resid 12 and name HN and segid A )(resid 125 and name O and segid B ) 2.3 0.7 0.0 ! assign (resid 12 and name N and segid A )(resid 125 and name O and segid B ) 3.4 0.9 0.0 ! ! ! 125-12 (ADDED 2006013E) ! NO DATA TO SUPPORT THIS! ! assign (resid 125 and name HN and segid A )(resid 12 and name O and segid B ) 2.3 0.7 0.0 ! ! assign (resid 125 and name N and segid A )(resid 12 and name O and segid B ) 3.4 0.9 0.0 ! ! !40-13? NOE's d& xchng data back this up but it's weird !resid 40 has slo xchng data and noes to support the following bond: ! assign (resid 40 and name HN and segid A )(resid 13 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 40 and name N and segid A )(resid 13 and name O and segid A ) 3.4 0.9 0.0 ! ! !resid 42 has x data and noe to 55 hn,ha: ! assign (resid 42 and name HN and segid A )(resid 54 and name O and segid A ) 2.3 0.7 0.0 ! ! assign (resid 42 and name N and segid A )(resid 54 and name O and segid A ) 3.4 0.9 0.0 ! !
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