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
11964 1saf cing 1-original 5 XPLOR/CNS distance hydrogen bond simple


!salt bridges

assign (resid 19 and name nh# and segid a) (resid 34 and name od# and segid c) 3.0 0.7 0.5
assign (resid 19 and name hh# and segid a) (resid 34 and name od# and segid c) 2.0 0.7 0.5




assign (resid 16 and name n  and segid c) 
       (resid 8  and name o  and segid a)  3.0 0.7 0.5
assign (resid 16 and name hn and segid c) 
       (resid 8  and name o  and segid a)  2.0 0.7 0.5

assign (resid 14 and name n  and segid c) 
       (resid 10 and name o  and segid a)  3.0 0.7 0.5
assign (resid 14 and name hn and segid c) 
       (resid 10 and name o  and segid a)  2.0 0.7 0.5

assign (resid 10 and name n  and segid c) 
       (resid 14 and name o  and segid a)  3.0 0.7 0.5
assign (resid 10 and name hn and segid c) 
       (resid 14 and name o  and segid a)  2.0 0.7 0.5


assign (resid 12 and name n  and segid c) 
       (resid 12 and name o  and segid a)  3.0 0.7 0.5
assign (resid 12 and name hn and segid c) 
       (resid 12 and name o  and segid a)  2.0 0.7 0.5


!salt bridges

assign (resid 19 and name nh# and segid c) (resid 34 and name od# and segid a) 3.0 0.7 0.5
assign (resid 19 and name hh# and segid c) (resid 34 and name od# and segid a) 2.0 0.7 0.5




assign (resid 16 and name n  and segid b) 
       (resid 8  and name o  and segid d)  3.0 0.7 0.5
assign (resid 16 and name hn and segid b) 
       (resid 8  and name o  and segid d)  2.0 0.7 0.5

assign (resid 14 and name n  and segid b) 
       (resid 10 and name o  and segid d)  3.0 0.7 0.5
assign (resid 14 and name hn and segid b) 
       (resid 10 and name o  and segid d)  2.0 0.7 0.5

assign (resid 10 and name n  and segid b) 
       (resid 14 and name o  and segid d)  3.0 0.7 0.5
assign (resid 10 and name hn and segid b) 
       (resid 14 and name o  and segid d)  2.0 0.7 0.5


assign (resid 12 and name n  and segid b) 
       (resid 12 and name o  and segid d)  3.0 0.7 0.5
assign (resid 12 and name hn and segid b) 
       (resid 12 and name o  and segid d)  2.0 0.7 0.5


!salt bridges

assign (resid 19 and name nh# and segid b) (resid 34 and name od# and segid d) 3.0 0.7 0.5
assign (resid 19 and name hh# and segid b) (resid 34 and name od# and segid d) 2.0 0.7 0.5




assign (resid 16 and name n  and segid d) 
       (resid 8  and name o  and segid b)  3.0 0.7 0.5
assign (resid 16 and name hn and segid d) 
       (resid 8  and name o  and segid b)  2.0 0.7 0.5

assign (resid 14 and name n  and segid d) 
       (resid 10 and name o  and segid b)  3.0 0.7 0.5
assign (resid 14 and name hn and segid d) 
       (resid 10 and name o  and segid b)  2.0 0.7 0.5

assign (resid 10 and name n  and segid d) 
       (resid 14 and name o  and segid b)  3.0 0.7 0.5
assign (resid 10 and name hn and segid d) 
       (resid 14 and name o  and segid b)  2.0 0.7 0.5


assign (resid 12 and name n  and segid d) 
       (resid 12 and name o  and segid b)  3.0 0.7 0.5
assign (resid 12 and name hn and segid d) 
       (resid 12 and name o  and segid b)  2.0 0.7 0.5


!salt bridges

assign (resid 19 and name nh# and segid d) (resid 34 and name od# and segid b) 3.0 0.7 0.5
assign (resid 19 and name hh# and segid d) (resid 34 and name od# and segid b) 2.0 0.7 0.5




assign (resid 14 and name hg2# and segid a) (resid 501 and name h# and segid a) 3.0 1.2 0.3

assign (resid 15 and name hn and segid a) (resid 501 and name h# and segid a) 3.0 1.2 0.3
assign (resid 15 and name hn and segid a) (resid 501 and name oh2 and segid a) 2.0 0.7 0.5
assign (resid 15 and name n and segid a) (resid 501 and name oh2 and segid a) 3.0 0.7 0.5

assign (resid 27 and name hd2# and segid c) (resid 501 and name h# and segid a) 3.0 1.2 0.3
assign (resid 27 and name hd2# and segid c) (resid 501 and name oh2 and segid a) 2.0 0.7 0.5
assign (resid 27 and name nd2 and segid c) (resid 501 and name oh2 and segid a) 3.0 0.7 0.5

assign (resid 31 and name oe# and segid c) (resid 501 and name h# and segid a) 2.0 0.7 0.5
assign (resid 31 and name oe# and segid c) (resid 501 and name oh2 and segid a) 3.0 0.7 0.5

assign (resid 14 and name hg2# and segid c) (resid 502 and name h# and segid c) 3.0 1.2 0.3

assign (resid 15 and name hn and segid c) (resid 502 and name h# and segid c) 3.0 1.2 0.3
assign (resid 15 and name hn and segid c) (resid 502 and name oh2 and segid c) 2.0 0.7 0.5
assign (resid 15 and name n and segid c) (resid 502 and name oh2 and segid c) 3.0 0.7 0.5

assign (resid 27 and name hd2# and segid a) (resid 502 and name h# and segid c) 3.0 1.2 0.3
assign (resid 27 and name hd2# and segid a) (resid 502 and name oh2 and segid c) 2.0 0.7 0.5
assign (resid 27 and name nd2 and segid a) (resid 502 and name oh2 and segid c) 3.0 0.7 0.5

assign (resid 31 and name oe# and segid a) (resid 502 and name h# and segid c) 2.0 0.7 0.5
assign (resid 31 and name oe# and segid a) (resid 502 and name oh2 and segid c) 3.0 0.7 0.5


assign (resid 14 and name hg2# and segid b) (resid 503 and name h# and segid b) 3.0 1.2 0.3

assign (resid 15 and name hn and segid b) (resid 503 and name h# and segid b) 3.0 1.2 0.3
assign (resid 15 and name hn and segid b) (resid 503 and name oh2 and segid b) 2.0 0.7 0.5
assign (resid 15 and name n and segid b) (resid 503 and name oh2 and segid b) 3.0 0.7 0.5

assign (resid 27 and name hd2# and segid d) (resid 503 and name h# and segid b) 3.0 1.2 0.3
assign (resid 27 and name hd2# and segid d) (resid 503 and name oh2 and segid b) 2.0 0.7 0.5
assign (resid 27 and name nd2 and segid d) (resid 503 and name oh2 and segid b) 3.0 0.7 0.5

assign (resid 31 and name oe# and segid d) (resid 503 and name h# and segid b) 2.0 0.7 0.5
assign (resid 31 and name oe# and segid d) (resid 503 and name oh2 and segid b) 3.0 0.7 0.5

assign (resid 14 and name hg2# and segid d) (resid 504 and name h# and segid d) 3.0 1.2 0.3

assign (resid 15 and name hn and segid d) (resid 504 and name h# and segid d) 3.0 1.2 0.3
assign (resid 15 and name hn and segid d) (resid 504 and name oh2 and segid d) 2.0 0.7 0.5
assign (resid 15 and name n and segid d) (resid 504 and name oh2 and segid d) 3.0 0.7 0.5

assign (resid 27 and name hd2# and segid b) (resid 504 and name h# and segid d) 3.0 1.2 0.3
assign (resid 27 and name hd2# and segid b) (resid 504 and name oh2 and segid d) 2.0 0.7 0.5
assign (resid 27 and name nd2 and segid b) (resid 504 and name oh2 and segid d) 3.0 0.7 0.5

assign (resid 31 and name oe# and segid b) (resid 504 and name h# and segid d) 2.0 0.7 0.5
assign (resid 31 and name oe# and segid b) (resid 504 and name oh2 and segid d) 3.0 0.7 0.5





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