NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
11669 1rtn cing 1-original 11 XPLOR/CNS distance hydrogen bond simple


! here are the inter molecular hydrogen bond restraints
assign (resid   8 and  name  hn   and segid "a")(resid   10 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   8 and  name  n   and segid "a")(resid   10 and  name o   and segid "b") 3.3 0.8 0.0 !
assign (resid   8 and  name  hn   and segid "b")(resid   10 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   8 and  name  n   and segid "b")(resid   10 and  name o   and segid "a") 3.3 0.8 0.0 !
! 
! here are the intra resdiue hydrogen bond restraints for monomer a
assign (resid   26 and  name  hn   and segid "a")(resid   42 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   26 and  name  n   and segid "a")(resid   42 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   28 and  name  hn   and segid "a")(resid   40 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   28 and  name  n   and segid "a")(resid   40 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   30 and  name  hn   and segid "a")(resid   38 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   30 and  name  n   and segid "a")(resid   38 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   38 and  name  hn   and segid "a")(resid   30 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   38 and  name  n   and segid "a")(resid   30 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   39 and  name  hn   and segid "a")(resid   51 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   39 and  name  n   and segid "a")(resid   51 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   40 and  name  hn   and segid "a")(resid   28 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   40 and  name  n   and segid "a")(resid   28 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   41 and  name  hn   and segid "a")(resid   49 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   41 and  name  n   and segid "a")(resid   49 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   42 and  name  hn   and segid "a")(resid   26 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   42 and  name  n   and segid "a")(resid   26 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   43 and  name  hn   and segid "a")(resid   47 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   43 and  name  n   and segid "a")(resid   47 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   49 and  name  hn   and segid "a")(resid   41 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   49 and  name  n   and segid "a")(resid   41 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   51 and  name  hn   and segid "a")(resid   39 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   51 and  name  n   and segid "a")(resid   39 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   62 and  name  hn   and segid "a")(resid   58 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   62 and  name  n   and segid "a")(resid   58 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   63 and  name  hn   and segid "a")(resid   59 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   63 and  name  n   and segid "a")(resid   59 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   64 and  name  hn   and segid "a")(resid   60 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   64 and  name  n   and segid "a")(resid   60 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   65 and  name  hn   and segid "a")(resid   61 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   65 and  name  n   and segid "a")(resid   61 and  name o   and segid "a") 3.3 0.8 0.0 !
!
assign (resid   66 and  name  hn   and segid "a")(resid   62 and  name o  and segid "a") 2.2 0.5 0.0 !
assign (resid   66 and  name  n   and segid "a")(resid   62 and  name o   and segid "a") 3.3 0.8 0.0 !
!
! here are the intra resdiue hydrogen bond restraints for monomer b
assign (resid   26 and  name  hn   and segid "b")(resid   42 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   26 and  name  n   and segid "b")(resid   42 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   28 and  name  hn   and segid "b")(resid   40 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   28 and  name  n   and segid "b")(resid   40 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   30 and  name  hn   and segid "b")(resid   38 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   30 and  name  n   and segid "b")(resid   38 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   38 and  name  hn   and segid "b")(resid   30 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   38 and  name  n   and segid "b")(resid   30 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   39 and  name  hn   and segid "b")(resid   51 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   39 and  name  n   and segid "b")(resid   51 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   40 and  name  hn   and segid "b")(resid   28 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   40 and  name  n   and segid "b")(resid   28 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   41 and  name  hn   and segid "b")(resid   49 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   41 and  name  n   and segid "b")(resid   49 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   42 and  name  hn   and segid "b")(resid   26 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   42 and  name  n   and segid "b")(resid   26 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   43 and  name  hn   and segid "b")(resid   47 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   43 and  name  n   and segid "b")(resid   47 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   49 and  name  hn   and segid "b")(resid   41 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   49 and  name  n   and segid "b")(resid   41 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   51 and  name  hn   and segid "b")(resid   39 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   51 and  name  n   and segid "b")(resid   39 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   62 and  name  hn   and segid "b")(resid   58 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   62 and  name  n   and segid "b")(resid   58 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   63 and  name  hn   and segid "b")(resid   59 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   63 and  name  n   and segid "b")(resid   59 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   64 and  name  hn   and segid "b")(resid   60 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   64 and  name  n   and segid "b")(resid   60 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   65 and  name  hn   and segid "b")(resid   61 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   65 and  name  n   and segid "b")(resid   61 and  name o   and segid "b") 3.3 0.8 0.0 !
!
assign (resid   66 and  name  hn   and segid "b")(resid   62 and  name o  and segid "b") 2.2 0.5 0.0 !
assign (resid   66 and  name  n   and segid "b")(resid   62 and  name o   and segid "b") 3.3 0.8 0.0 !
!


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