NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
8046 1ldz 4226 cing 1-original 4 XPLOR/CNS distance hydrogen bond simple 

!
!file lz2_hbond_396.noe
!
!
!       hbonds to define base pairing in LZ2
!       format borrowed from Fiona Jucker 3/1/96
!---------------------------------------------------------------------
!
!       hbond for G1-C30
!
!  Fix stereochem CGH 5/13/97
assign (resid 1 and name O6)  (resid 30 and name H41) 1.9 0.5 0.3
assign (resid 1 and name O6)  (resid 30 and name N4)  3.0 0.28 0.08
assign (resid 1 and name H1)  (resid 30 and name N3)  1.9 0.5 0.12
assign (resid 1 and name N1)  (resid 30 and name N3)  3.0 0.25 0.15
assign (resid 1 and name H21) (resid 30 and name O2)  1.9 0.5 0.3
assign (resid 1 and name N2) (resid 30 and name O2)  3.0 0.28 0.08
!
!       hbond for G29-C2
!
assign (resid 29 and name O6)  (resid 2 and name H41) 1.9 0.5 0.3
assign (resid 29 and name O6)  (resid 2 and name N4)  3.0 0.28 0.08
assign (resid 29 and name H1)  (resid 2 and name N3)  1.9 0.5 0.12
assign (resid 29 and name N1)  (resid 2 and name N3)  3.0 0.25 0.15
assign (resid 29 and name H21) (resid 2 and name O2)  1.9 0.5 0.3
assign (resid 29 and name N2) (resid 2 and name O2)  3.0 0.28 0.08
!
!       hbond for G3-C29
!
assign (resid 3 and name O6)  (resid 28 and name H41) 1.9 0.5 0.3
assign (resid 3 and name O6)  (resid 28 and name N4)  3.0 0.28 0.08
assign (resid 3 and name H1)  (resid 28 and name N3)  1.9 0.5 0.12
assign (resid 3 and name N1)  (resid 28 and name N3)  3.0 0.25 0.15
assign (resid 3 and name H21) (resid 28 and name O2)  1.9 0.5 0.3
assign (resid 3 and name N2) (resid 28 and name O2)  3.0 0.28 0.08
!
!       hbond for A4-U27
!
assign (resid 27 and name O4)  (resid 4 and name H61) 1.9 0.5 0.3
assign (resid 27 and name O4)  (resid 4 and name N6) 3.0 0.28 0.08
assign (resid 27 and name H3)  (resid 4 and name N1) 1.9 0.5 0.12
assign (resid 27 and name N3)  (resid 4 and name N1) 3.0 0.25 0.15
!
!       hbond for G26-C5
!
assign (resid 26 and name O6)  (resid 5 and name H41) 1.9 0.5 0.3
assign (resid 26 and name O6)  (resid 5 and name N4)  3.0 0.28 0.08
assign (resid 26 and name H1)  (resid 5 and name N3)  1.9 0.5 0.12
assign (resid 26 and name N1)  (resid 5 and name N3)  3.0 0.25 0.15
assign (resid 26 and name H21) (resid 5 and name O2)  1.9 0.5 0.3
assign (resid 26 and name N2) (resid 5 and name O2)  3.0 0.28 0.08
!
!       hbond for G23-C10
!
assign (resid 23 and name O6)  (resid 10 and name H41) 1.9 0.5 0.3
assign (resid 23 and name O6)  (resid 10 and name N4)  3.0 0.28 0.08
assign (resid 23 and name H1)  (resid 10 and name N3)  1.9 0.5 0.12
assign (resid 23 and name N1)  (resid 10 and name N3)  3.0 0.25 0.15
assign (resid 23 and name H21) (resid 10 and name O2)  1.9 0.5 0.3
assign (resid 23 and name N2) (resid 10 and name O2)  3.0 0.28 0.08
!
!       hbond for G22-C11
!
assign (resid 22 and name O6)  (resid 11 and name H41) 1.9 0.5 0.3
assign (resid 22 and name O6)  (resid 11 and name N4)  3.0 0.28 0.08
assign (resid 22 and name H1)  (resid 11 and name N3)  1.9 0.5 0.12
assign (resid 22 and name N1)  (resid 11 and name N3)  3.0 0.25 0.15
assign (resid 22 and name H21) (resid 11 and name O2)  1.9 0.5 0.3
assign (resid 22 and name N2) (resid 11 and name O2)  3.0 0.28 0.08
!
!       hbond for A12-U21
!
assign (resid 21 and name O4)  (resid 12 and name H61) 1.9 0.5 0.3
assign (resid 21 and name O4)  (resid 12 and name N6) 3.0 0.28 0.08
assign (resid 21 and name H3)  (resid 12 and name N1) 1.9 0.5 0.12
assign (resid 21 and name N3)  (resid 12 and name N1) 3.0 0.25 0.15
!
!       hbond for G13-U20
!
assign (resid 13 and name O6)  (resid 20 and name H3) 1.9 0.5 0.3
assign (resid 13 and name O6)  (resid 20 and name N3) 3.0 0.28 0.08
assign (resid 13 and name H1)  (resid 20 and name O2) 1.9 0.5 0.3
assign (resid 13 and name N1)  (resid 20 and name O2) 3.0 0.28 0.08
!
!       hbond for G19-C14
!
assign (resid 19 and name O6)  (resid 14 and name H41) 1.9 0.5 0.3
assign (resid 19 and name O6)  (resid 14 and name N4)  3.0 0.28 0.08
assign (resid 19 and name H1)  (resid 14 and name N3)  1.9 0.5 0.12
assign (resid 19 and name N1)  (resid 14 and name N3)  3.0 0.25 0.15
assign (resid 19 and name H21) (resid 14 and name O2)  1.9 0.5 0.3
assign (resid 19 and name N2) (resid 14 and name O2)  3.0 0.28 0.08
!
!file lz2_acpair.noe
!omitted for "control" calculations, Hoogstraten et al fig. 5
!
assign (resid 25 and name N6) (resid 6 and name N3) 2.9 0.3 0.3
assign (resid 25 and name H61) (resid 6 and name N3) 1.9 0.3 0.3
assign (resid 25 and name N1) (resid 6 and name O2) 3.0 0.3 0.3
assign (resid 25 and name H1) (resid 6 and name O2) 2.0 0.3 0.3
!
!Dihedral Angle Constraints
!

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