NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
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22717 |
2jqi   |
cing | 1-original | 4 | XPLOR/CNS | distance | general distance | simple |
!fha1-1ptq-noe-4.tbl (May 31, 2007) ! 3NI(pT)QPTQQST12 !---------------------------------------------------------------------------------------- !Extra FHA1 constraints from filtered NMR experiments (from previous results) !---------------------------------------------------------------------------------------- assign (segid FHA1 and resid 34 and name HA )(segid FHA1 and resid 34 and name HG ) 4.0 2.2 1.0 assign (segid FHA1 and resid 34 and name CB )(segid FHA1 and resid 34 and name HG ) 3.0 1.2 1.7 assign (segid FHA1 and resid 34 and name HG )(segid FHA1 and resid 48 and name CG ) 2.5 0.7 2.2 assign (segid FHA1 and resid 38 and name HA )(segid FHA1 and resid 38 and name HG ) 4.0 2.2 1.0 assign (segid FHA1 and resid 38 and name HB1 )(segid FHA1 and resid 38 and name HG ) 4.0 2.2 1.0 assign (segid FHA1 and resid 38 and name HB2 )(segid FHA1 and resid 38 and name HG ) 4.0 2.2 1.0 assign (segid FHA1 and resid 38 and name HG )(segid FHA1 and resid 143 and name HA ) 4.0 2.2 1.0 assign (segid FHA1 and resid 38 and name HG )(segid FHA1 and resid 143 and name CG ) 3.0 1.2 2.7 assign (segid FHA1 and resid 40 and name HG1 )(segid FHA1 and resid 40 and name CG2 ) 3.0 1.2 1.7 !---------------------------------------------------------------------------------------- !---------------------------------------------------------------------------------------- !artificial constraints deduced previously (R77. N93) !---------------------------------------------------------------------------------------- assign (segid FHA1 and resid 70 and name CZ )(segid 1PTQ and resid 5 and name P ) 5.5 0.3 0.3 assign (segid FHA1 and resid 86 and name CG )(segid 1PTQ and resid 5 and name P ) 5.0 0.3 0.3 !---------------------------------------------------------------------------------------- !----------------------------------------------------------------------------------------- !Intermolecular NOEs !----------------------------------------------------------------------------------------- !------------------------------- !S82-pT5, Q6 !------------------------------- assign (segid FHA1 and resid 82 and name HA )(segid 1PTQ and resid 5 and name CG2 ) 5.0 3.2 2.0 assign (segid FHA1 and resid 82 and name HA )(segid 1PTQ and resid 6 and name CB ) 5.0 3.2 2.0 assign (segid FHA1 and resid 82 and name HA )(segid 1PTQ and resid 6 and name CG ) 4.0 2.2 2.0 assign (segid FHA1 and resid 82 and name HB1 )(segid 1PTQ and resid 6 and name CG ) 4.0 2.2 2.0 assign (segid FHA1 and resid 82 and name HB2 )(segid 1PTQ and resid 6 and name CG ) 4.0 2.2 2.0 !------------------------------- !R83-T8 !------------------------------- assign (segid FHA1 and resid 83 and name HB1 )(segid 1PTQ and resid 8 and name CG2 ) 5.0 3.2 2.0 assign (segid FHA1 and resid 83 and name HB2 )(segid 1PTQ and resid 8 and name CG2 ) 5.0 3.2 2.0 assign (segid FHA1 and resid 83 and name HD1 )(segid 1PTQ and resid 8 and name CG2 ) 5.0 3.2 2.0 assign (segid FHA1 and resid 83 and name HD2 )(segid 1PTQ and resid 8 and name CG2 ) 5.0 3.2 2.0 !------------------------------- !S85-pT5 !------------------------------- assign (segid FHA1 and resid 85 and name HA )(segid 1PTQ and resid 5 and name HA ) 5.0 3.2 1.0 assign (segid FHA1 and resid 85 and name HA )(segid 1PTQ and resid 5 and name HB ) 5.0 3.2 1.0 assign (segid FHA1 and resid 85 and name HA )(segid 1PTQ and resid 5 and name CG2 ) 3.0 1.2 1.7 assign (segid FHA1 and resid 85 and name CB )(segid 1PTQ and resid 5 and name CG2 ) 4.0 2.2 3.0 !------------------------------- !S105-pT5 !------------------------------- assign (segid FHA1 and resid 105 and name HA )(segid 1PTQ and resid 5 and name CG2 ) 5.0 3.2 2.0 !------------------------------- !T106-pT5, P7 !------------------------------- assign (segid FHA1 and resid 106 and name HA )(segid 1PTQ and resid 5 and name HB ) 5.0 3.2 1.0 assign (segid FHA1 and resid 106 and name HA )(segid 1PTQ and resid 5 and name CG2 ) 4.0 2.2 2.0 assign (segid FHA1 and resid 106 and name HB )(segid 1PTQ and resid 5 and name HA ) 5.0 3.2 1.0 assign (segid FHA1 and resid 106 and name HB )(segid 1PTQ and resid 5 and name HB ) 4.0 2.2 1.0 assign (segid FHA1 and resid 106 and name HB )(segid 1PTQ and resid 5 and name CG2 ) 3.0 1.2 1.7 assign (segid FHA1 and resid 106 and name CG2 )(segid 1PTQ and resid 5 and name HA ) 5.0 3.2 2.0 assign (segid FHA1 and resid 106 and name CG2 )(segid 1PTQ and resid 5 and name HB ) 3.0 1.2 1.7 assign (segid FHA1 and resid 106 and name CG2 )(segid 1PTQ and resid 5 and name CG2 ) 3.0 1.2 2.7 assign (segid FHA1 and resid 106 and name CG2 )(segid 1PTQ and resid 7 and name HA ) 4.0 2.2 2.0 assign (segid FHA1 and resid 106 and name CG2 )(segid 1PTQ and resid 7 and name HB1 ) 4.0 2.2 2.0 assign (segid FHA1 and resid 106 and name CG2 )(segid 1PTQ and resid 7 and name HB2 ) 4.0 2.2 2.0 !------------------------------- !N107-T8 !------------------------------- assign (segid FHA1 and resid 107 and name HA )(segid 1PTQ and resid 8 and name HB ) 5.0 3.2 1.0 assign (segid FHA1 and resid 107 and name HA )(segid 1PTQ and resid 8 and name CG2 ) 5.0 3.2 2.0 assign (segid FHA1 and resid 107 and name HB1 )(segid 1PTQ and resid 8 and name CG2 ) 5.0 3.2 2.0 assign (segid FHA1 and resid 107 and name HB2 )(segid 1PTQ and resid 8 and name CG2 ) 5.0 3.2 2.0 !------------------------------- !G135-T8 !------------------------------- assign (segid FHA1 and resid 135 and name HA1 )(segid 1PTQ and resid 8 and name CG2 ) 3.0 1.2 1.7 assign (segid FHA1 and resid 135 and name HA2 )(segid 1PTQ and resid 8 and name CG2 ) 3.0 1.2 1.7 !------------------------------- !V1136-T8, Q9 !------------------------------- assign (segid FHA1 and resid 136 and name CG1 )(segid 1PTQ and resid 8 and name CG2 ) 4.0 2.2 3.0 assign (segid FHA1 and resid 136 and name CG2 )(segid 1PTQ and resid 8 and name HA ) 5.0 3.2 2.0 assign (segid FHA1 and resid 136 and name CG2 )(segid 1PTQ and resid 8 and name HB ) 5.0 3.2 2.0 assign (segid FHA1 and resid 136 and name CG2 )(segid 1PTQ and resid 8 and name CG2 ) 3.0 1.2 2.7 assign (segid FHA1 and resid 136 and name CG2 )(segid 1PTQ and resid 9 and name CB ) 5.0 3.2 3.0 assign (segid FHA1 and resid 136 and name CG2 )(segid 1PTQ and resid 9 and name CG ) 4.0 2.2 3.0 !-------------------------------------------------------------------------------------- !Intrapeptide assignments 3NI(pT)QPTQQSI12 !-------------------------------------------------------------------------------------- assign (segid 1PTQ and resid 3 and name HA )(segid 1PTQ and resid 3 and name HB1 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 3 and name HA )(segid 1PTQ and resid 3 and name HB2 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 4 and name HA )(segid 1PTQ and resid 4 and name HB ) 4.0 2.2 1.0 assign (segid 1PTQ and resid 4 and name HA )(segid 1PTQ and resid 4 and name CG2 ) 4.0 2.2 2.0 assign (segid 1PTQ and resid 4 and name HA )(segid 1PTQ and resid 4 and name CD1 ) 5.0 3.2 2.0 assign (segid 1PTQ and resid 4 and name HB )(segid 1PTQ and resid 4 and name HG11 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 4 and name HB )(segid 1PTQ and resid 4 and name HG12 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 4 and name HB )(segid 1PTQ and resid 4 and name CG2 ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 4 and name HB )(segid 1PTQ and resid 4 and name CD1 ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 4 and name CG2 )(segid 1PTQ and resid 5 and name HA ) 4.0 2.2 2.0 assign (segid 1PTQ and resid 5 and name HA )(segid 1PTQ and resid 5 and name HB ) 4.0 2.2 1.0 assign (segid 1PTQ and resid 5 and name HA )(segid 1PTQ and resid 5 and name CG2 ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 5 and name HB )(segid 1PTQ and resid 5 and name CG2 ) 4.0 2.2 2.0 assign (segid 1PTQ and resid 6 and name HA )(segid 1PTQ and resid 6 and name HB1 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 6 and name HA )(segid 1PTQ and resid 6 and name HB2 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 6 and name HA )(segid 1PTQ and resid 6 and name CG ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 6 and name HB1 )(segid 1PTQ and resid 6 and name CG ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 6 and name HB2 )(segid 1PTQ and resid 6 and name CG ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 6 and name CG )(segid 1PTQ and resid 6 and name HE21 ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 6 and name CG )(segid 1PTQ and resid 6 and name HE22 ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 6 and name HA )(segid 1PTQ and resid 7 and name HD1 ) 2.5 0.7 0.2 assign (segid 1PTQ and resid 6 and name HA )(segid 1PTQ and resid 7 and name HD2 ) 2.5 0.7 0.2 assign (segid 1PTQ and resid 7 and name HA )(segid 1PTQ and resid 7 and name HB1 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 7 and name HA )(segid 1PTQ and resid 7 and name HB2 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 7 and name HA )(segid 1PTQ and resid 7 and name CG ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 7 and name CB )(segid 1PTQ and resid 7 and name HD1 ) 4.0 2.2 2.0 assign (segid 1PTQ and resid 7 and name CB )(segid 1PTQ and resid 7 and name HD2 ) 4.0 2.2 2.0 assign (segid 1PTQ and resid 7 and name CG )(segid 1PTQ and resid 7 and name HD1 ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 7 and name CG )(segid 1PTQ and resid 7 and name HD2 ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 7 and name HA )(segid 1PTQ and resid 8 and name HN ) 2.5 0.7 0.2 assign (segid 1PTQ and resid 7 and name HB1 )(segid 1PTQ and resid 8 and name HN ) 4.0 2.2 1.0 assign (segid 1PTQ and resid 7 and name HB2 )(segid 1PTQ and resid 8 and name HN ) 4.0 2.2 1.0 assign (segid 1PTQ and resid 7 and name CG )(segid 1PTQ and resid 8 and name HN ) 4.0 2.2 2.0 assign (segid 1PTQ and resid 8 and name HN )(segid 1PTQ and resid 8 and name HA ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 8 and name HN )(segid 1PTQ and resid 8 and name HB ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 8 and name HN )(segid 1PTQ and resid 8 and name CG2 ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 8 and name HA )(segid 1PTQ and resid 8 and name HB ) 4.0 2.2 1.0 assign (segid 1PTQ and resid 8 and name HA )(segid 1PTQ and resid 8 and name CG2 ) 4.0 2.2 2.0 assign (segid 1PTQ and resid 8 and name HB )(segid 1PTQ and resid 8 and name CG2 ) 4.0 2.2 2.0 assign (segid 1PTQ and resid 8 and name CG2 )(segid 1PTQ and resid 9 and name HN ) 4.0 2.2 2.0 assign (segid 1PTQ and resid 8 and name HA )(segid 1PTQ and resid 9 and name HN ) 2.5 0.7 0.4 assign (segid 1PTQ and resid 9 and name HN )(segid 1PTQ and resid 9 and name HA ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 9 and name HN )(segid 1PTQ and resid 9 and name HB1 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 9 and name HN )(segid 1PTQ and resid 9 and name HB2 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 9 and name HA )(segid 1PTQ and resid 9 and name HB1 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 9 and name HA )(segid 1PTQ and resid 9 and name HB2 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 9 and name HA )(segid 1PTQ and resid 9 and name CG ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 9 and name HA )(segid 1PTQ and resid 10 and name HN ) 2.5 0.7 0.2 assign (segid 1PTQ and resid 10 and name HA )(segid 1PTQ and resid 10 and name HB1 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 10 and name HA )(segid 1PTQ and resid 10 and name HB2 ) 3.0 1.2 0.7 assign (segid 1PTQ and resid 10 and name HA )(segid 1PTQ and resid 10 and name CG ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 10 and name HA )(segid 1PTQ and resid 11 and name HN ) 2.5 0.7 0.2 assign (segid 1PTQ and resid 11 and name HA )(segid 1PTQ and resid 11 and name CB ) 3.0 1.2 1.7 assign (segid 1PTQ and resid 11 and name HA )(segid 1PTQ and resid 12 and name HN ) 2.5 0.7 0.2 assign (segid 1PTQ and resid 11 and name CB )(segid 1PTQ and resid 12 and name HN ) 4.0 2.2 2.0 assign (segid 1PTQ and resid 12 and name HA )(segid 1PTQ and resid 12 and name HB ) 4.0 2.2 1.0 !-------------------------------------------------------------------------------------- !Intrapeptide assignments (assuimng extended conformation) !-------------------------------------------------------------------------------------- assign (segid 1PTQ and resid 3 and name HA )(segid 1PTQ and resid 4 and name HN ) 2.5 0.7 0.2 assign (segid 1PTQ and resid 4 and name HA )(segid 1PTQ and resid 5 and name HN ) 2.5 0.7 0.2 assign (segid 1PTQ and resid 5 and name HA )(segid 1PTQ and resid 6 and name HN ) 2.5 0.7 0.2
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