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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1738 |
1awx   |
cing | 1-original | 3 | XPLOR/CNS | distance | NOE | simple |
!Restraints derived from tnnoesy-spectra (60ms mixing-time, in D2O) ! residue 12 Val , NOEs forward in sequence assi (resi 12 and name HA ) (resi 32 and name HG# ) 3.50 3.50 0.70 assi (resi 12 and name HA ) (resi 33 and name HD# ) 3.50 3.50 2.00 ! residue 13 Ala , intraresidue NOEs ! residue 13 Ala , NOEs forward in sequence ! residue 14 Leu , intraresidue NOEs ! residue 14 Leu , NOEs forward in sequence assi (resi 14 and name HB2 ) (resi 15 and name HD# ) 3.50 3.50 2.00 assi (resi 14 and name HD# ) (resi 15 and name HD# ) 5.00 5.00 3.50 ! residue 15 Tyr , intraresidue NOEs assi (resi 15 and name HB2 ) (resi 15 and name HD# ) 3.50 3.50 2.00 ! residue 15 Tyr , NOEs forward in sequence assi (resi 15 and name HD# ) (resi 60 and name HA ) 5.00 5.00 2.00 assi (resi 15 and name HD# ) (resi 60 and name HB1 ) 5.00 5.00 2.00 assi (resi 15 and name HD# ) (resi 60 and name HD# ) 5.00 5.00 4.00 assi (resi 15 and name HD# ) (resi 60 and name HE# ) 5.00 5.00 4.00 ! residue 16 Asp , intraresidue NOEs ! residue 16 Asp , NOEs forward in sequence assi (resi 16 and name HB1 ) (resi 17 and name HA ) 5.00 5.00 0.00 ! residue 17 Tyr , intraresidue NOEs assi (resi 17 and name HA ) (resi 17 and name HB# ) 2.80 2.80 0.70 assi (resi 17 and name HB# ) (resi 17 and name HD# ) 3.50 3.50 2.70 ! residue 17 Tyr , NOEs forward in sequence assi (resi 17 and name HD# ) (resi 19 and name HA ) 5.00 5.00 2.00 assi (resi 17 and name HD# ) (resi 26 and name HA ) 5.00 5.00 2.00 assi (resi 17 and name HB# ) (resi 27 and name HD# ) 5.00 5.00 2.20 assi (resi 17 and name HD# ) (resi 27 and name HG ) 5.00 5.00 2.00 assi (resi 17 and name HB# ) (resi 60 and name HD# ) 5.00 5.00 2.70 ! residue 18 Met , intraresidue NOEs ! residue 18 Met , NOEs forward in sequence ! residue 19 Pro , intraresidue NOEs ! residue 19 Pro , NOEs forward in sequence ! residue 20 Met , intraresidue NOEs ! residue 20 Met , NOEs forward in sequence ! residue 21 Asn , intraresidue NOEs ! residue 21 Asn , NOEs forward in sequence ! residue 22 Ala , intraresidue NOEs ! residue 22 Ala , NOEs forward in sequence ! residue 23 Asn , intraresidue NOEs ! residue 23 Asn , NOEs forward in sequence ! residue 24 Asp , intraresidue NOEs ! residue 24 Asp , NOEs forward in sequence ! residue 25 Leu , intraresidue NOEs ! residue 25 Leu , NOEs forward in sequence ! residue 26 Gln , intraresidue NOEs assi (resi 26 and name HA ) (resi 26 and name HG# ) 5.00 5.00 0.70 assi (resi 26 and name HB1 ) (resi 26 and name HG# ) 3.50 3.50 0.70 ! residue 26 Gln , NOEs forward in sequence ! residue 27 Leu , intraresidue NOEs ! residue 27 Leu , NOEs forward in sequence ! residue 28 Arg , intraresidue NOEs ! residue 28 Arg , NOEs forward in sequence ! residue 29 Lys , intraresidue NOEs ! residue 29 Lys , NOEs forward in sequence ! residue 30 Gly , intraresidue NOEs ! residue 30 Gly , NOEs forward in sequence ! residue 31 Asp , intraresidue NOEs assi (resi 31 and name HA ) (resi 31 and name HB# ) 3.50 3.50 0.70 ! residue 31 Asp , NOEs forward in sequence ! residue 32 Glu , intraresidue NOEs ! residue 32 Glu , NOEs forward in sequence assi (resi 32 and name HA ) (resi 33 and name HD# ) 5.00 5.00 2.00 assi (resi 32 and name HA ) (resi 33 and name HE# ) 5.00 5.00 2.00 ! residue 33 Tyr , intraresidue NOEs assi (resi 33 and name HA ) (resi 33 and name HD# ) 5.00 5.00 2.00 assi (resi 33 and name HA ) (resi 33 and name HE# ) 5.00 5.00 2.00 assi (resi 33 and name HB1 ) (resi 33 and name HD# ) 2.80 2.80 2.00 assi (resi 33 and name HB1 ) (resi 33 and name HE# ) 5.00 5.00 2.00 ! residue 33 Tyr , NOEs forward in sequence assi (resi 33 and name HA ) (resi 48 and name HA ) 3.50 3.50 0.00 assi (resi 33 and name HD# ) (resi 48 and name HA ) 3.50 3.50 2.00 assi (resi 33 and name HD# ) (resi 48 and name HB1 ) 3.50 3.50 2.00 assi (resi 33 and name HE# ) (resi 48 and name HA ) 3.50 3.50 2.00 assi (resi 33 and name HE# ) (resi 48 and name HB1 ) 3.50 3.50 2.00 ! residue 34 Phe , intraresidue NOEs assi (resi 34 and name HA ) (resi 34 and name HB2 ) 3.50 3.50 0.00 assi (resi 34 and name HB2 ) (resi 34 and name HD# ) 3.50 3.50 2.00 ! residue 34 Phe , NOEs forward in sequence ! residue 35 Ile , intraresidue NOEs ! residue 35 Ile , NOEs forward in sequence assi (resi 35 and name HA ) (resi 46 and name HA ) 2.80 2.80 0.00 ! residue 36 Leu , intraresidue NOEs ! residue 36 Leu , NOEs forward in sequence ! residue 37 Glu , intraresidue NOEs ! residue 37 Glu , NOEs forward in sequence ! residue 38 Glu , intraresidue NOEs ! residue 38 Glu , NOEs forward in sequence ! residue 39 Ser , intraresidue NOEs ! residue 39 Ser , NOEs forward in sequence ! residue 40 Asn , intraresidue NOEs ! residue 40 Asn , NOEs forward in sequence ! residue 41 Leu , intraresidue NOEs ! residue 41 Leu , NOEs forward in sequence ! residue 42 Pro , intraresidue NOEs ! residue 42 Pro , NOEs forward in sequence ! residue 43 Trp , intraresidue NOEs assi (resi 43 and name HA ) (resi 43 and name HD1 ) 5.00 5.00 0.00 assi (resi 43 and name HB1 ) (resi 43 and name HD1 ) 3.50 3.50 0.00 ! residue 43 Trp , NOEs forward in sequence ! residue 44 Trp , intraresidue NOEs assi (resi 44 and name HB1 ) (resi 44 and name HD1 ) 3.50 3.50 0.00 ! residue 44 Trp , NOEs forward in sequence ! residue 45 Arg , intraresidue NOEs ! residue 45 Arg , NOEs forward in sequence ! residue 46 Ala , intraresidue NOEs ! residue 46 Ala , NOEs forward in sequence ! residue 47 Arg , intraresidue NOEs ! residue 47 Arg , NOEs forward in sequence ! residue 48 Asp , intraresidue NOEs ! residue 48 Asp , NOEs forward in sequence ! residue 49 Lys , intraresidue NOEs ! residue 49 Lys , NOEs forward in sequence ! residue 50 Asn , intraresidue NOEs ! residue 50 Asn , NOEs forward in sequence ! residue 51 Gly , intraresidue NOEs ! residue 51 Gly , NOEs forward in sequence ! residue 52 Gln , intraresidue NOEs ! residue 52 Gln , NOEs forward in sequence ! residue 53 Glu , intraresidue NOEs ! residue 53 Glu , NOEs forward in sequence ! residue 54 Gly , intraresidue NOEs ! residue 54 Gly , NOEs forward in sequence ! residue 55 Tyr , intraresidue NOEs ! residue 55 Tyr , NOEs forward in sequence ! residue 56 Ile , intraresidue NOEs ! residue 56 Ile , NOEs forward in sequence ! residue 57 Pro , intraresidue NOEs ! residue 57 Pro , NOEs forward in sequence ! residue 58 Ser , intraresidue NOEs ! residue 58 Ser , NOEs forward in sequence ! residue 59 Asn , intraresidue NOEs ! residue 59 Asn , NOEs forward in sequence ! residue 60 Tyr , intraresidue NOEs assi (resi 60 and name HA ) (resi 60 and name HB1 ) 3.50 3.50 0.00 assi (resi 60 and name HB1 ) (resi 60 and name HD# ) 3.50 3.50 2.00 assi (resi 60 and name HB1 ) (resi 60 and name HE# ) 5.00 5.00 2.00 !additional restraints assi (resi 10 and name HA ) (resi 10 and name HB# ) 2.80 2.80 0.70 assi (resi 10 and name HA ) (resi 10 and name HG# ) 3.50 3.50 0.70 assi (resi 10 and name HA ) (resi 10 and name HD# ) 5.00 5.00 0.70 assi (resi 10 and name HA ) (resi 11 and name HG# ) 5.00 5.00 1.50 assi (resi 10 and name HB2 ) (resi 34 and name HE# ) 3.50 3.50 2.00 assi (resi 10 and name HG# ) (resi 34 and name HA ) 5.00 5.00 0.70 assi (resi 11 and name HA ) (resi 11 and name HG# ) 3.50 3.50 1.50 assi (resi 11 and name HB ) (resi 61 and name HA ) 5.00 5.00 0.00 assi (resi 11 and name HA ) (resi 63 and name HG# ) 5.00 5.00 0.70 assi (resi 12 and name HB ) (resi 32 and name HA ) 5.00 5.00 0.00 assi (resi 12 and name HA ) (resi 33 and name HE# ) 5.00 5.00 2.00 assi (resi 12 and name HA ) (resi 64 and name HB# ) 5.00 5.00 0.40 assi (resi 14 and name HD# ) (resi 61 and name HA ) 5.00 5.00 1.50 assi (resi 17 and name HE# ) (resi 19 and name HA ) 3.50 3.50 2.00 assi (resi 27 and name HB2 ) (resi 56 and name HA ) 5.00 5.00 0.00 assi (resi 27 and name HD# ) (resi 56 and name HA ) 5.00 5.00 1.50 assi (resi 18 and name HA ) (resi 26 and name HA ) 5.00 5.00 0.00 assi (resi 18 and name HA ) (resi 26 and name HB# ) 5.00 5.00 0.70 assi (resi 18 and name HA ) (resi 27 and name HB2 ) 5.00 5.00 0.00 assi (resi 20 and name HA ) (resi 20 and name HG# ) 3.50 3.50 0.70 assi (resi 23 and name HB1 ) (resi 55 and name HA ) 5.00 5.00 0.70 assi (resi 24 and name HA ) (resi 54 and name HA# ) 5.00 5.00 0.70 assi (resi 25 and name HA ) (resi 25 and name HD# ) 5.00 5.00 1.50 assi (resi 28 and name HA ) (resi 28 and name HG# ) 3.50 3.50 0.70 assi (resi 29 and name HA ) (resi 29 and name HB# ) 3.50 3.50 0.70 assi (resi 33 and name HA ) (resi 33 and name HB2 ) 3.50 3.50 0.00 assi (resi 33 and name HB1 ) (resi 48 and name HA ) 5.00 5.00 0.00 assi (resi 33 and name HD# ) (resi 56 and name HG2#) 5.00 5.00 2.40 assi (resi 17 and name HE# ) (resi 56 and name HD1#) 5.00 5.00 2.40 assi (resi 34 and name HA ) (resi 34 and name HD# ) 3.50 3.50 2.00 assi (resi 35 and name HA ) (resi 35 and name HG2#) 3.50 3.50 0.40 assi (resi 35 and name HA ) (resi 35 and name HD1#) 3.50 3.50 0.40 assi (resi 35 and name HG2#) (resi 46 and name HA ) 5.00 5.00 0.40 assi (resi 36 and name HA ) (resi 36 and name HD# ) 3.50 3.50 1.50 assi (resi 36 and name HB# ) (resi 36 and name HD# ) 5.00 5.00 2.20 assi (resi 38 and name HA ) (resi 44 and name HA ) 5.00 5.00 0.00 assi (resi 39 and name HA ) (resi 39 and name HB1 ) 3.50 3.50 0.00 assi (resi 44 and name HA ) (resi 44 and name HB2 ) 5.00 5.00 0.00 assi (resi 44 and name HZ3 ) (resi 46 and name HB# ) 5.00 5.00 0.40 assi (resi 44 and name HE3 ) (resi 56 and name HG2#) 5.00 5.00 0.40 assi (resi 44 and name HE3 ) (resi 61 and name HG# ) 5.00 5.00 1.50 assi (resi 47 and name HB2 ) (resi 53 and name HA ) 5.00 5.00 0.00 assi (resi 48 and name HA ) (resi 49 and name HA ) 5.00 5.00 0.00 assi (resi 52 and name HA ) (resi 52 and name HG# ) 3.50 3.50 0.70 assi (resi 56 and name HA ) (resi 56 and name HG2#) 5.00 5.00 0.40 assi (resi 56 and name HA ) (resi 57 and name HD# ) 3.50 3.50 0.70 assi (resi 56 and name HG2#) (resi 61 and name HA ) 5.00 5.00 0.40 assi (resi 62 and name HA ) (resi 62 and name HB ) 2.80 2.80 0.00 assi (resi 62 and name HA ) (resi 62 and name HG2#) 5.00 5.00 0.40 assi (resi 65 and name HA ) (resi 65 and name HG# ) 3.50 3.50 0.70 !additional NOE:s 9704 assi (resi 13 and name HB# ) (resi 33 and name HD# ) 5.00 5.00 2.40 assi (resi 13 and name HB# ) (resi 33 and name HE# ) 3.50 3.50 2.40 assi (resi 27 and name HD# ) (resi 33 and name HD# ) 5.00 5.00 3.50 assi (resi 27 and name HD# ) (resi 33 and name HE# ) 5.00 5.00 3.50 assi (resi 33 and name HD# ) (resi 46 and name HB# ) 5.00 5.00 2.40 assi (resi 33 and name HE# ) (resi 46 and name HB# ) 5.00 5.00 2.40 assi (resi 33 and name HD# ) (resi 48 and name HN ) 5.00 5.00 2.00 assi (resi 33 and name HE# ) (resi 49 and name HN ) 5.00 5.00 2.00 assi (resi 38 and name HN ) (resi 41 and name HN ) 6.00 6.00 0.00 assi (resi 41 and name HA ) (resi 42 and name HD# ) 5.00 5.00 0.70 assi (resi 42 and name HA ) (resi 43 and name HD1 ) 6.00 6.00 0.00 assi (resi 43 and name HZ3 ) (resi 56 and name HA ) 5.00 5.00 0.70 assi (resi 44 and name HN ) (resi 56 and name HG2#) 5.00 5.00 0.40 assi (resi 56 and name HA ) (resi 57 and name HD# ) 3.50 3.50 0.70 assi (resi 65 and name HA ) (resi 65 and name HG# ) 3.50 3.50 0.70
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