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 |
|
|
1757 |
1axh   |
4233 | cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
!! Dihedral-angle restraints used for X-PLOR 3.1 refinement of atracotoxin-HVI
!! PHI RESTRAINTS (TOTAL = 27)
!! 3 Thr
assign (resid 2 and name c ) (resid 3 and name n )
(resid 3 and name ca) (resid 3 and name c ) 1.0 -120.0 40.0 2
!! 4 Cys
assign (resid 3 and name c ) (resid 4 and name n )
(resid 4 and name ca) (resid 4 and name c ) 1.0 -100.0 80.0 2
!! 5 Ile
assign (resid 4 and name c ) (resid 5 and name n )
(resid 5 and name ca) (resid 5 and name c ) 1.0 -120.0 40.0 2
!! 7 Ser
assign (resid 6 and name c ) (resid 7 and name n )
(resid 7 and name ca) (resid 7 and name c ) 1.0 -65.0 25.0 2
!! 9 Gln
assign (resid 8 and name c ) (resid 9 and name n )
(resid 9 and name ca) (resid 9 and name c ) 1.0 -120.0 30.0 2
!! 11 Cys
assign (resid 10 and name c ) (resid 11 and name n )
(resid 11 and name ca) (resid 11 and name c ) 1.0 -120.0 20.0 2
!! 13 Tyr
assign (resid 12 and name c ) (resid 13 and name n )
(resid 13 and name ca) (resid 13 and name c ) 1.0 -100.0 80.0 2
!! 14 Asn
assign (resid 13 and name c ) (resid 14 and name n )
(resid 14 and name ca) (resid 14 and name c ) 1.0 -65.0 25.0 2
!! 15 Glu
assign (resid 14 and name c ) (resid 15 and name n )
(resid 15 and name ca) (resid 15 and name c ) 1.0 -120.0 40.0 2
!! 16 Asn
assign (resid 15 and name c ) (resid 16 and name n )
(resid 16 and name ca) (resid 16 and name c ) 1.0 -120.0 30.0 2
!! 18 Cys
assign (resid 17 and name c ) (resid 18 and name n )
(resid 18 and name ca) (resid 18 and name c ) 1.0 -65.0 25.0 2
!! 19 Ser
assign (resid 18 and name c ) (resid 19 and name n )
(resid 19 and name ca) (resid 19 and name c ) 1.0 -120.0 30.0 2
!! 21 Ser
assign (resid 20 and name c ) (resid 21 and name n )
(resid 21 and name ca) (resid 21 and name c ) 1.0 -120.0 30.0 2
!! 22 Cys
assign (resid 21 and name c ) (resid 22 and name n )
(resid 22 and name ca) (resid 22 and name c ) 1.0 -120.0 20.0 2
!! 23 Thr
assign (resid 22 and name c ) (resid 23 and name n )
(resid 23 and name ca) (resid 23 and name c ) 1.0 -120.0 30.0 2
!! 24 Phe
assign (resid 23 and name c ) (resid 24 and name n )
(resid 24 and name ca) (resid 24 and name c ) 1.0 -120.0 30.0 2
!! 25 Lys
assign (resid 24 and name c ) (resid 25 and name n )
(resid 25 and name ca) (resid 25 and name c ) 1.0 -120.0 20.0 2
!! 26 Glu
assign (resid 25 and name c ) (resid 26 and name n )
(resid 26 and name ca) (resid 26 and name c ) 1.0 -120.0 30.0 2
!! 27 Asn
assign (resid 26 and name c ) (resid 27 and name n )
(resid 27 and name ca) (resid 27 and name c ) 1.0 -100.0 80.0 2
!! 28 Glu
assign (resid 27 and name c ) (resid 28 and name n )
(resid 28 and name ca) (resid 28 and name c ) 1.0 -65.0 25.0 2
!! 29 Asn
assign (resid 28 and name c ) (resid 29 and name n )
(resid 29 and name ca) (resid 29 and name c ) 1.0 -100.0 80.0 2
!! 31 Asn
assign (resid 30 and name c ) (resid 31 and name n )
(resid 31 and name ca) (resid 31 and name c ) 1.0 -120.0 30.0 2
!! 32 Thr
assign (resid 31 and name c ) (resid 32 and name n )
(resid 32 and name ca) (resid 32 and name c ) 1.0 -120.0 20.0 2
!! 33 Val
assign (resid 32 and name c ) (resid 33 and name n )
(resid 33 and name ca) (resid 33 and name c ) 1.0 -120.0 20.0 2
!! 34 Lys
assign (resid 33 and name c ) (resid 34 and name n )
(resid 34 and name ca) (resid 34 and name c ) 1.0 -120.0 20.0 2
!! 35 Arg
assign (resid 34 and name c ) (resid 35 and name n )
(resid 35 and name ca) (resid 35 and name c ) 1.0 -120.0 20.0 2
!! 36 Cys
assign (resid 35 and name c ) (resid 36 and name n )
(resid 36 and name ca) (resid 36 and name c ) 1.0 -120.0 30.0 2
!!CHI1 RESTRAINTS (TOTAL = 16)
!! 3 Thr
assign (resid 3 and name n) (resid 3 and name ca)
(resid 3 and name cb) (resid 3 and name og1) 1.0 180.0 30.0 2
!! 4 Cys
assign (resid 4 and name n) (resid 4 and name ca)
(resid 4 and name cb) (resid 4 and name sg) 1.0 60.0 30.0 2
!! 5 Ile
assign (resid 5 and name n) (resid 5 and name ca)
(resid 5 and name cb) (resid 5 and name cg1) 1.0 -60.0 30.0 2
!! 11 Cys
assign (resid 11 and name n) (resid 11 and name ca)
(resid 11 and name cb) (resid 11 and name sg) 1.0 60.0 30.0 2
!! 13 Tyr
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name cb) (resid 13 and name cg) 1.0 -60.0 30.0 2
!! 14 Asn
assign (resid 14 and name n) (resid 14 and name ca)
(resid 14 and name cb) (resid 14 and name cg) 1.0 -60.0 30.0 2
!! 16 Asn
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name cb) (resid 16 and name cg) 1.0 180.0 30.0 2
!! 18 Cys
assign (resid 18 and name n) (resid 18 and name ca)
(resid 18 and name cb) (resid 18 and name sg) 1.0 -60.0 30.0 2
!! 22 Cys
assign (resid 22 and name n) (resid 22 and name ca)
(resid 22 and name cb) (resid 22 and name sg) 1.0 -60.0 30.0 2
!! 23 Thr
assign (resid 23 and name n) (resid 23 and name ca)
(resid 23 and name cb) (resid 23 and name og1) 1.0 180.0 30.0 2
!! 25 Lys
assign (resid 25 and name n) (resid 25 and name ca)
(resid 25 and name cb) (resid 25 and name cg) 1.0 240.0 90.0 2
!! 32 Thr
assign (resid 32 and name n) (resid 32 and name ca)
(resid 32 and name cb) (resid 32 and name og1) 1.0 180.0 30.0 2
!! 33 Val
assign (resid 33 and name n) (resid 33 and name ca)
(resid 33 and name cb) (resid 33 and name cg1) 1.0 180.0 30.0 2
!! 35 Arg
assign (resid 35 and name n) (resid 35 and name ca)
(resid 35 and name cb) (resid 35 and name cg) 1.0 -60.0 30.0 2
!! 36 Cys
assign (resid 36 and name n) (resid 36 and name ca)
(resid 36 and name cb) (resid 36 and name sg) 1.0 180.0 30.0 2
!! 37 Asp
assign (resid 37 and name n) (resid 37 and name ca)
(resid 37 and name cb) (resid 37 and name cg) 1.0 -60.0 30.0 2
!end
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