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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1147 |
1a93   |
4200 | cing | 1-original | 5 | XPLOR/CNS | distance | NOE | simple |
!a.3.1 Intraresidue: intramonomer a ! Val-6 assign ( resid 6 and name HN and segid "a" )( resid 6 and name HB and segid "a" ) 2.5 0.7 0.5 assign ( resid 6 and name HN and segid "a" )( resid 6 and name HA and segid "a" ) 3.0 1.2 0.5 assign ( resid 6 and name HA and segid "a" )( resid 6 and name HG1* and segid "a" ) 3.5 1.7 1.0 assign ( resid 6 and name HA and segid "a" )( resid 6 and name HG2* and segid "a" ) 3.5 1.7 1.0 assign ( resid 6 and name HA and segid "a" )( resid 6 and name HB and segid "a" ) 3.0 1.2 0.5 ! Gln-7 No Chi-1 set for this residue. I cannot see this on exp9, h2o NOESY. assign ( resid 7 and name HN and segid "a" )( resid 7 and name HA and segid "a" ) 3.0 1.2 0.5 ! Ala-8 Chi-1 N/A assign ( resid 8 and name HN and segid "a" )( resid 8 and name HA and segid "a" ) 3.0 1.2 0.5 ! Glu-9 No Chi-1 set for this residue. ! Glu-10 No Chi-1 set for this residue. ! Can see potential HN/HA, but no HN/HB signals assign ( resid 10 and name HN and segid "a" )( resid 10 and name HA and segid "a" ) 3.0 1.2 0.5 ! Gln-11 No Chi-1 set for this residue. HA shift may be wrong. ! Lys-12 No Chi-1 set for this residue. Bad region. Hard to assign anything here with any certainty. !Leu-13 Chi-1 set to -60 assign ( resid 13 and name HN and segid "a" )( resid 13 and name HB1 and segid "a" ) 3.5 0.5 0.5 assign ( resid 13 and name HN and segid "a" )( resid 13 and name HB2 and segid "a" ) 2.5 0.7 0.5 assign ( resid 13 and name HA and segid "a" )( resid 13 and name HD2* and segid "a" ) 2.5 0.7 1.0 assign ( resid 13 and name HA and segid "a" )( resid 13 and name HD1* and segid "a" ) 4.0 2.2 1.0 !Ile-14 Chi-1 set to -60 assign ( resid 14 and name HN and segid "a" )( resid 14 and name HA and segid "a" ) 3.5 1.7 0.5 assign ( resid 14 and name HN and segid "a" )( resid 14 and name HB and segid "a" ) 2.5 0.7 0.5 assign ( resid 14 and name HA and segid "a" )( resid 14 and name HB and segid "a" ) 3.5 1.7 0.5 assign ( resid 14 and name HA and segid "a" )( resid 14 and name HD1* and segid "a" ) 4.5 2.7 1.0 assign ( resid 14 and name HA and segid "a" )( resid 14 and name HG2* and segid "a" ) 3.0 1.2 1.0 !Ser-15 assign ( resid 15 and name HA and segid "a" )( resid 15 and name HN and segid "a" ) 3.5 1.7 0.5 !Glu-16 !Glu-17 !Asp-18 No Chi-1 set for this residue. HN/HB NOES and HA/HB NOES both strong. Good sign of disordered. assign ( resid 16 and name HA and segid "a" )( resid 16 and name HN and segid "a" ) 3.0 1.2 0.5 !Leu-19 No Chi-1 set for this residue. Cannot see HN-HB NOES at 150ms. Ovlp. assign ( resid 19 and name HA and segid "a" )( resid 19 and name HN and segid "a" ) 2.5 0.7 0.5 !Leu-20 Chi-1 set to -60 assign ( resid 20 and name HN and segid "a" )( resid 20 and name HA and segid "a" ) 3.0 1.2 0.5 assign ( resid 20 and name HN and segid "a" )( resid 20 and name HB1 and segid "a" ) 3.5 1.7 0.5 assign ( resid 20 and name HN and segid "a" )( resid 20 and name HB2 and segid "a" ) 2.5 0.7 0.5 assign ( resid 20 and name HN and segid "a" )( resid 20 and name Hb1 and segid "a" ) 3.0 1.2 0.5 !Arg-21 No Chi-1 set for this resdiue. assign ( resid 21 and name HA and segid "a" )( resid 21 and name HN and segid "a" ) 2.5 0.7 0.5 assign ( resid 21 and name HN and segid "a" )( resid 21 and name HB* and segid "a" ) 3.0 1.2 1.5 !Lys-22 !Arg-23 assign ( resid 23 and name HN and segid "a" )( resid 23 and name HA and segid "a" ) 2.5 0.7 0.5 assign ( resid 23 and name HN and segid "a" )( resid 23 and name HB* and segid "a" ) 3.0 1.2 1.5 !Arg-24 No Chi-1 set. assign ( resid 24 and name HN and segid "a" )( resid 24 and name HA and segid "a" ) 2.5 0.7 0.5 assign ( resid 24 and name HN and segid "a" )( resid 24 and name HB* and segid "a" ) 3.0 1.2 1.5 !Glu-25 No Chi-1 set. assign ( resid 25 and name HN and segid "a" )( resid 25 and name HA and segid "a" ) 3.0 1.2 0.5 assign ( resid 25 and name HN and segid "a" )( resid 25 and name HB* and segid "a" ) 3.0 1.2 1.5 assign ( resid 25 and name HN and segid "a" )( resid 25 and name HG* and segid "a" ) 3.5 1.7 1.5 !Gln-26 No Chi-1 set. assign ( resid 26 and name HN and segid "a" )( resid 26 and name HA and segid "a" ) 2.5 0.7 0.5 assign ( resid 26 and name HN and segid "a" )( resid 26 and name HB* and segid "a" ) 3.0 1.2 1.5 assign ( resid 26 and name HN and segid "a" )( resid 26 and name HG* and segid "a" ) 4.0 2.2 1.5 !Leu-27 Chi-1 set to -60. assign ( resid 27 and name HN and segid "a" )( resid 27 and name HB1 and segid "a" ) 3.5 1.7 0.5 assign ( resid 27 and name HN and segid "a" )( resid 27 and name HB2 and segid "a" ) 2.5 0.7 0.5 assign ( resid 27 and name HN and segid "a" )( resid 27 and name HA and segid "a" ) 3.5 1.7 0.5 assign ( resid 27 and name HN and segid "a" )( resid 27 and name HG2* and segid "a" ) 3.0 0.7 1.5 !Lys-28 Not assigned. !His-29 Strong HN-HB* and HA-HB*. May be disordered. Bh's degenerate, adds to problem!! assign ( resid 29 and name HA and segid "a" )( resid 29 and name HN and segid "a" ) 3.5 1.7 0.5 assign ( resid 29 and name HN and segid "a" )( resid 29 and name HB* and segid "a" ) 2.5 0.7 1.5 assign ( resid 29 and name HD2 and segid "a" )( resid 29 and name HB1 and segid "a" ) 3.5 1.7 0.5 assign ( resid 29 and name HD2 and segid "a" )( resid 29 and name HB2 and segid "a" ) 2.5 0.7 0.5 !Lys-30 !Leu-31 Looks fixed. May be -60. Setting as if -60. assign ( resid 31 and name HN and segid "a" )( resid 31 and name HA and segid "a" ) 2.5 0.7 0.5 assign ( resid 31 and name HN and segid "a" )( resid 31 and name HB2 and segid "a" ) 2.5 0.7 0.5 assign ( resid 31 and name HN and segid "a" )( resid 31 and name HB1 and segid "a" ) 3.5 1.7 0.5 !Glu-32 assign ( resid 32 and name HN and segid "a" )( resid 32 and name HA and segid "a" ) 3.0 1.2 0.5 !Gln-33 assign ( resid 33 and name HN and segid "a" )( resid 33 and name HA and segid "a" ) 3.0 1.2 0.5 assign ( resid 33 and name HN and segid "a" )( resid 33 and name HB* and segid "a" ) 3.0 1.2 1.5 !Leu-34 !assign ( resid 34 and name HN and segid "a" )( resid 34 and name HB1 and segid "a" ) 3.5 1.7 1.0 !assign ( resid 34 and name HN and segid "a" )( resid 34 and name HB2 and segid "a" ) 3.5 1.7 1.0 assign ( resid 34 and name HN and segid "a" )( resid 34 and name HA and segid "a" ) 3.0 1.2 0.5 !a.3.2. Intraresidue: intramonomer b !Asn-10 Chi-1 set to -60 for this residue assign ( resid 10 and name HN and segid "b" )( resid 10 and name HA and segid "b" ) 3.5 1.7 0.5 assign ( resid 10 and name HN and segid "b" )( resid 10 and name HB1 and segid "b" ) 3.5 0.5 0.5 assign ( resid 10 and name HN and segid "b" )( resid 10 and name HB2 and segid "b" ) 2.5 0.7 0.5 assign ( resid 10 and name HA and segid "b" )( resid 10 and name HB1 and segid "b" ) 4.0 2.2 0.5 assign ( resid 10 and name HA and segid "b" )( resid 10 and name HB2 and segid "b" ) 2.8 1.0 0.5 assign ( resid 10 and name HD21 and segid "b" )( resid 10 and name HB1 and segid "b" ) 3.0 1.2 0.5 assign ( resid 10 and name HD21 and segid "b" )( resid 10 and name HB2 and segid "b" ) 4.0 2.2 0.5 assign ( resid 10 and name HD22 and segid "b" )( resid 10 and name HB1 and segid "b" ) 5.5 3.7 0.5 assign ( resid 10 and name HD22 and segid "b" )( resid 10 and name HB2 and segid "b" ) 5.5 3.7 0.5 !Asp-11 No Chi-1 set for this residue. !HN,HA to HB NOEs look of similar intensity, cannot pin a conformation. assign ( resid 11 and name HN and segid "b" )( resid 11 and name HA and segid "b" ) 3.0 1.2 0.5 !Thr-12 No Chi-1 set for this residue. assign ( resid 12 and name HN and segid "b" )( resid 12 and name HB and segid "b" ) 3.5 1.7 0.5 assign ( resid 12 and name HN and segid "b" )( resid 12 and name HG* and segid "b" ) 3.5 1.2 1.0 assign ( resid 12 and name HA and segid "b" )( resid 12 and name HG* and segid "b" ) 3.5 1.2 1.0 !assign ( resid 12 and name HA and segid "b" )( resid 12 and name HB and segid "b" ) 3.0 1.2 0.5 !His-13 Chi-1 set to -60 for this residue. assign ( resid 13 and name HN and segid "b" )( resid 13 and name HA and segid "b" ) 3.5 1.7 0.5 assign ( resid 13 and name HN and segid "b" )( resid 13 and name HB1 and segid "b" ) 3.5 0.5 0.5 assign ( resid 13 and name HN and segid "b" )( resid 13 and name HB2 and segid "b" ) 2.5 0.7 0.5 assign ( resid 13 and name HA and segid "b" )( resid 13 and name HB1 and segid "b" ) 3.0 1.2 0.5 assign ( resid 13 and name HA and segid "b" )( resid 13 and name HB2 and segid "b" ) 4.0 2.2 0.5 assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB1 and segid "b" ) 4.0 2.2 0.5 assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB2 and segid "b" ) 2.5 0.7 0.5 assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB* and segid "b" ) 3.0 1.2 1.0 ! Gln-14 No Chi-1 set for this residue. assign ( resid 14 and name HN and segid "b" )( resid 14 and name HA and segid "b" ) 3.0 1.2 0.5 ! Gln-15 No Chi-1 set for this residue. Missing bH assignments assign ( resid 15 and name HN and segid "b" )( resid 15 and name HA and segid "b" ) 3.0 1.2 0.5 ! Asp-16 Chi-1 set to 180 for this residue. HA-HB NOES poorly resolved? assign ( resid 16 and name HN and segid "b" )( resid 16 and name HA and segid "b" ) 3.0 1.2 0.5 assign ( resid 16 and name HN and segid "b" )( resid 16 and name HB1 and segid "b" ) 3.0 1.2 0.5 assign ( resid 16 and name HN and segid "b" )( resid 16 and name HB2 and segid "b" ) 3.0 1.2 0.5 ! Ile-17 Chi-1 set to -60 for this residue. I cannot see an NOE pattern to confirm this. assign ( resid 17 and name HN and segid "b" )( resid 17 and name HA and segid "b" ) 3.5 1.7 0.5 ! Asp-18 No Chi-1 set for this residue. I am setting to -60 assign ( resid 18 and name HN and segid "b" )( resid 18 and name HA and segid "b" ) 3.5 1.7 0.5 assign ( resid 18 and name HN and segid "b" )( resid 18 and name HB1 and segid "b" ) 3.0 1.2 0.5 assign ( resid 18 and name HN and segid "b" )( resid 18 and name HB2 and segid "b" ) 4.0 2.2 0.5 assign ( resid 18 and name HA and segid "b" )( resid 18 and name HB1 and segid "b" ) 3.0 1.2 0.5 assign ( resid 18 and name HA and segid "b" )( resid 18 and name HB2 and segid "b" ) 3.0 1.2 0.5 ! Asp-19 Chi-1 set to 180 for this residue. assign ( resid 19 and name HN and segid "b" )( resid 19 and name HA and segid "b" ) 3.0 1.2 0.5 assign ( resid 19 and name HB2 and segid "b" )( resid 19 and name HN and segid "b" ) 3.0 1.2 0.5 ! Leu-20 Chi-1 set to -60 for this residue. assign ( resid 20 and name HN and segid "b" )( resid 20 and name HA and segid "b" ) 3.5 1.7 1.0 assign ( resid 20 and name HN and segid "b" )( resid 20 and name HB1 and segid "b" ) 3.5 1.7 0.5 assign ( resid 20 and name HN and segid "b" )( resid 20 and name HB2 and segid "b" ) 2.5 0.7 0.5 assign ( resid 20 and name HA and segid "b" )( resid 20 and name HB1 and segid "b" ) 3.0 1.2 0.5 assign ( resid 20 and name HN and segid "b" )( resid 20 and name HG and segid "b" ) 3.0 1.2 0.5 assign ( resid 20 and name HA and segid "b" )( resid 20 and name HD2* and segid "b" ) 3.0 1.2 1.0 ! Lys-21 No Chi-1 set for this residue. assign ( resid 21 and name HN and segid "b" )( resid 21 and name HA and segid "b" ) 3.0 1.2 0.5 assign ( resid 21 and name HB* and segid "b" )( resid 21 and name HN and segid "b" ) 3.0 1.2 1.5 assign ( resid 21 and name HE* and segid "b" )( resid 21 and name HB* and segid "b" ) 3.5 1.7 1.5 assign ( resid 21 and name HE* and segid "b" )( resid 21 and name HD* and segid "b" ) 3.5 1.7 1.5 ! Arg-22 No Chi-1 set for this residue. Maybe Chi-1 -60? assign ( resid 22 and name HN and segid "b" )( resid 22 and name HA and segid "b" ) 3.0 1.2 0.5 assign ( resid 22 and name HN and segid "b" )( resid 22 and name HB1 and segid "b" ) 3.0 1.2 0.5 assign ( resid 22 and name HN and segid "b" )( resid 22 and name HB2 and segid "b" ) 3.5 1.2 0.5 assign ( resid 22 and name HA and segid "b" )( resid 22 and name HB2 and segid "b" ) 3.0 1.2 0.5 ! Gln-23 No Chi-1 set for this residue. assign ( resid 23 and name HN and segid "b" )( resid 23 and name HA and segid "b" ) 3.0 1.2 0.5 assign ( resid 23 and name HN and segid "b" )( resid 23 and name HB* and segid "b" ) 3.0 1.2 1.0 assign ( resid 23 and name HN and segid "b" )( resid 23 and name HG* and segid "b" ) 3.5 1.2 1.0 ! Asn-24 Chi-1 set to -60 for this residue assign ( resid 24 and name HN and segid "b" )( resid 24 and name HA and segid "b" ) 3.0 1.2 0.5 assign ( resid 24 and name HN and segid "b" )( resid 24 and name HB1 and segid "b" ) 3.5 1.7 0.5 assign ( resid 24 and name HN and segid "b" )( resid 24 and name HB2 and segid "b" ) 2.5 0.7 0.5 assign ( resid 24 and name HA and segid "b" )( resid 24 and name HB1 and segid "b" ) 3.0 1.2 0.5 assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HB1 and segid "b" ) 4.0 2.2 0.5 assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HB1 and segid "b" ) 4.0 2.2 0.5 assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HB1 and segid "b" ) 3.0 1.2 0.5 assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HB2 and segid "b" ) 3.0 1.2 0.5 assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HA and segid "b" ) 4.0 2.2 0.5 assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HN and segid "b" ) 4.0 2.2 0.5 ! Ala-25 Chi-1 N/A assign ( resid 25 and name HN and segid "b" )( resid 25 and name HA and segid "b" ) 3.0 1.2 0.5 assign ( resid 25 and name HN and segid "b" )( resid 25 and name HB* and segid "b" ) 3.0 0.7 1.0 ! Leu-26 No Chi-1 set for this residue. HBs same as xLeu29. Is this correct?? assign ( resid 26 and name HN and segid "b" )( resid 26 and name HA and segid "b" ) 3.0 1.2 0.5 ! Leu-27 assign ( resid 27 and name HN and segid "b" )( resid 27 and name HB1 and segid "b" ) 3.5 0.5 0.5 assign ( resid 27 and name HN and segid "b" )( resid 27 and name HB2 and segid "b" ) 2.5 0.7 0.5 assign ( resid 27 and name HA and segid "b" )( resid 27 and name HB1 and segid "b" ) 3.0 1.2 0.5 assign ( resid 27 and name HN and segid "b" )( resid 27 and name HG and segid "b" ) 3.0 1.2 0.5 assign ( resid 27 and name HN and segid "b" )( resid 27 and name HA and segid "b" ) 3.0 1.2 0.5 ! Glu-28 No Chi-1 set for this residue. However it appears fixed. 180 in model. assign ( resid 28 and name HN and segid "b" )( resid 28 and name HA and segid "b" ) 3.0 1.2 0.5 assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB1 and segid "b" ) 3.0 1.2 0.5 assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB2 and segid "b" ) 3.0 1.2 0.5 assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB1 and segid "b" ) 3.5 1.7 0.5 assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB2 and segid "b" ) 3.0 1.2 0.5 ! Gln-29 No Chi-1 set for this residue. assign ( resid 29 and name HN and segid "b" )( resid 29 and name HA and segid "b" ) 3.0 1.2 0.5 assign ( resid 29 and name HN and segid "b" )( resid 29 and name HB* and segid "b" ) 3.0 1.2 1.0 ! Gln-30 No Chi-1 set for this residue. assign ( resid 30 and name HN and segid "b" )( resid 30 and name HA and segid "b" ) 3.0 1.2 0.5 ! Val-31 No Chi-1 set for this residue. Maybe fixed to -60. -60 in model. assign ( resid 31 and name HN and segid "b" )( resid 31 and name HA and segid "b" ) 3.0 1.2 0.5 assign ( resid 31 and name HN and segid "b" )( resid 31 and name HB and segid "b" ) 2.5 0.7 0.5 assign ( resid 31 and name HN and segid "b" )( resid 31 and name HG2* and segid "b" ) 3.0 1.2 1.0 assign ( resid 31 and name HN and segid "b" )( resid 31 and name HG1* and segid "b" ) 4.5 1.7 1.0 assign ( resid 31 and name HA and segid "b" )( resid 31 and name HG2* and segid "b" ) 2.8 1.0 1.0 assign ( resid 31 and name HA and segid "b" )( resid 31 and name HG1* and segid "b" ) 2.8 1.0 1.0 ! Arg-32 No Chi-1 set for this residue. assign ( resid 32 and name HN and segid "b" )( resid 32 and name HA and segid "b" ) 3.0 1.2 0.5 ! Ala-33 assign ( resid 33 and name HN and segid "b" )( resid 33 and name HA and segid "b" ) 2.8 1.0 0.5 assign ( resid 33 and name HN and segid "b" )( resid 33 and name HB* and segid "b" ) 3.0 1.2 1.0 ! Leu-34 !assign ( resid 34 and name HN and segid "b" )( resid 34 and name HB1 and segid "b" ) 3.5 1.7 1.0 !assign ( resid 34 and name HN and segid "b" )( resid 34 and name HB2 and segid "b" ) 3.5 1.7 1.0 assign ( resid 34 and name HN and segid "b" )( resid 34 and name HA and segid "b" ) 3.0 1.2 1.0
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