BMRB

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
638353 6oc9 RC 30596 cing 1-original 2 XPLOR/CNS distance NOE simple 

# Restraints file 2: noe_new.tbl
set echo=false end
set wrnlev=0 end

!! intra-strand for strand A 
assign (segid A and resid 20 and name CZ)(segid A and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid A and resid 20 and name CZ)(segid A and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid A and resid 20 and name CZ)(segid A and resid 18 and name CA) 5.5 2.5 1.5
assign (segid A and resid 20 and name CZ)(segid A and resid 18 and name CB) 5.5 2.5 1.5
assign (segid A and resid 3 and name CD)(segid A and resid 26 and name CA) 5.5 2.5 1.5
assign (segid A and resid 3 and name CD)(segid A and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid A and resid 3 and name CD)(segid A and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid A and resid 23 and name CG)(segid A and resid 28 and name CG) 5.5 2.5 1.5
assign (segid A and resid 23 and name CG)(segid A and resid 28 and name CD) 5.5 2.5 1.5
assign (segid A and resid 2 and name C)(segid A and resid 25 and name CA) 5.5 2.5 1.5
assign (segid A and resid 41 and name P)(segid A and resid 25 and name C) 7.0 0.5 0.5
assign (segid A and resid 41 and name P)(segid A and resid 25 and name CA) 7.0 0.5 0.5
assign (segid A and resid 41 and name P)(segid A and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid A and resid 41 and name P)(segid A and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid A and resid 34 and name CB)(segid A and resid 36 and name CB) 5.5 2.5 1.5
assign (segid A and resid 34 and name CB)(segid A and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid A and resid 34 and name CB)(segid A and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid A and resid 27 and name CB)(segid A and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid A and resid 12 and name CG1)(segid A and resid 22 and name CG) 5.5 2.5 1.5
assign (segid A and resid 12 and name CG2)(segid A and resid 22 and name CG) 5.5 2.5 1.5
assign (segid A and resid 12 and name C)(segid A and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid A and resid 12 and name CB)(segid A and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand B
assign (segid B and resid 20 and name CZ)(segid B and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid B and resid 20 and name CZ)(segid B and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid B and resid 20 and name CZ)(segid B and resid 18 and name CA) 5.5 2.5 1.5
assign (segid B and resid 20 and name CZ)(segid B and resid 18 and name CB) 5.5 2.5 1.5
assign (segid B and resid 3 and name CD)(segid B and resid 26 and name CA) 5.5 2.5 1.5
assign (segid B and resid 3 and name CD)(segid B and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid B and resid 3 and name CD)(segid B and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid B and resid 23 and name CG)(segid B and resid 28 and name CG) 5.5 2.5 1.5
assign (segid B and resid 23 and name CG)(segid B and resid 28 and name CD) 5.5 2.5 1.5
assign (segid B and resid 2 and name C)(segid B and resid 25 and name CA) 5.5 2.5 1.5
assign (segid B and resid 41 and name P)(segid B and resid 25 and name C) 7.0 0.5 0.5
assign (segid B and resid 41 and name P)(segid B and resid 25 and name CA) 7.0 0.5 0.5
assign (segid B and resid 41 and name P)(segid B and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid B and resid 41 and name P)(segid B and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid B and resid 34 and name CB)(segid B and resid 36 and name CB) 5.5 2.5 1.5
assign (segid B and resid 34 and name CB)(segid B and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid B and resid 34 and name CB)(segid B and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid B and resid 27 and name CB)(segid B and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid B and resid 12 and name CG1)(segid B and resid 22 and name CG) 5.5 2.5 1.5
assign (segid B and resid 12 and name CG2)(segid B and resid 22 and name CG) 5.5 2.5 1.5
assign (segid B and resid 12 and name C)(segid B and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid B and resid 12 and name CB)(segid B and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand C 
assign (segid C and resid 20 and name CZ)(segid C and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid C and resid 20 and name CZ)(segid C and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid C and resid 20 and name CZ)(segid C and resid 18 and name CA) 5.5 2.5 1.5
assign (segid C and resid 20 and name CZ)(segid C and resid 18 and name CB) 5.5 2.5 1.5
assign (segid C and resid 3 and name CD)(segid C and resid 26 and name CA) 5.5 2.5 1.5
assign (segid C and resid 3 and name CD)(segid C and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid C and resid 3 and name CD)(segid C and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid C and resid 23 and name CG)(segid C and resid 28 and name CG) 5.5 2.5 1.5
assign (segid C and resid 23 and name CG)(segid C and resid 28 and name CD) 5.5 2.5 1.5
assign (segid C and resid 2 and name C)(segid C and resid 25 and name CA) 5.5 2.5 1.5
assign (segid C and resid 41 and name P)(segid C and resid 25 and name C) 7.0 0.5 0.5
assign (segid C and resid 41 and name P)(segid C and resid 25 and name CA) 7.0 0.5 0.5
assign (segid C and resid 41 and name P)(segid C and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid C and resid 41 and name P)(segid C and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid C and resid 34 and name CB)(segid C and resid 36 and name CB) 5.5 2.5 1.5
assign (segid C and resid 34 and name CB)(segid C and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid C and resid 34 and name CB)(segid C and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid C and resid 27 and name CB)(segid C and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid C and resid 12 and name CG1)(segid C and resid 22 and name CG) 5.5 2.5 1.5
assign (segid C and resid 12 and name CG2)(segid C and resid 22 and name CG) 5.5 2.5 1.5
assign (segid C and resid 12 and name C)(segid C and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid C and resid 12 and name CB)(segid C and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand D
assign (segid D and resid 20 and name CZ)(segid D and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid D and resid 20 and name CZ)(segid D and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid D and resid 20 and name CZ)(segid D and resid 18 and name CA) 5.5 2.5 1.5
assign (segid D and resid 20 and name CZ)(segid D and resid 18 and name CB) 5.5 2.5 1.5
assign (segid D and resid 3 and name CD)(segid D and resid 26 and name CA) 5.5 2.5 1.5
assign (segid D and resid 3 and name CD)(segid D and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid D and resid 3 and name CD)(segid D and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid D and resid 23 and name CG)(segid D and resid 28 and name CG) 5.5 2.5 1.5
assign (segid D and resid 23 and name CG)(segid D and resid 28 and name CD) 5.5 2.5 1.5
assign (segid D and resid 2 and name C)(segid D and resid 25 and name CA) 5.5 2.5 1.5
assign (segid D and resid 41 and name P)(segid D and resid 25 and name C) 7.0 0.5 0.5
assign (segid D and resid 41 and name P)(segid D and resid 25 and name CA) 7.0 0.5 0.5
assign (segid D and resid 41 and name P)(segid D and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid D and resid 41 and name P)(segid D and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid D and resid 34 and name CB)(segid D and resid 36 and name CB) 5.5 2.5 1.5
assign (segid D and resid 34 and name CB)(segid D and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid D and resid 34 and name CB)(segid D and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid D and resid 27 and name CB)(segid D and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid D and resid 12 and name CG1)(segid D and resid 22 and name CG) 5.5 2.5 1.5
assign (segid D and resid 12 and name CG2)(segid D and resid 22 and name CG) 5.5 2.5 1.5
assign (segid D and resid 12 and name C)(segid D and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid D and resid 12 and name CB)(segid D and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand E
assign (segid E and resid 20 and name CZ)(segid E and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid E and resid 20 and name CZ)(segid E and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid E and resid 20 and name CZ)(segid E and resid 18 and name CA) 5.5 2.5 1.5
assign (segid E and resid 20 and name CZ)(segid E and resid 18 and name CB) 5.5 2.5 1.5
assign (segid E and resid 3 and name CD)(segid E and resid 26 and name CA) 5.5 2.5 1.5
assign (segid E and resid 3 and name CD)(segid E and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid E and resid 3 and name CD)(segid E and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid E and resid 23 and name CG)(segid E and resid 28 and name CG) 5.5 2.5 1.5
assign (segid E and resid 23 and name CG)(segid E and resid 28 and name CD) 5.5 2.5 1.5
assign (segid E and resid 2 and name C)(segid E and resid 25 and name CA) 5.5 2.5 1.5
assign (segid E and resid 41 and name P)(segid E and resid 25 and name C) 7.0 0.5 0.5
assign (segid E and resid 41 and name P)(segid E and resid 25 and name CA) 7.0 0.5 0.5
assign (segid E and resid 41 and name P)(segid E and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid E and resid 41 and name P)(segid E and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid E and resid 34 and name CB)(segid E and resid 36 and name CB) 5.5 2.5 1.5
assign (segid E and resid 34 and name CB)(segid E and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid E and resid 34 and name CB)(segid E and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid E and resid 27 and name CB)(segid E and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid E and resid 12 and name CG1)(segid E and resid 22 and name CG) 5.5 2.5 1.5
assign (segid E and resid 12 and name CG2)(segid E and resid 22 and name CG) 5.5 2.5 1.5
assign (segid E and resid 12 and name C)(segid E and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid E and resid 12 and name CB)(segid E and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand F
assign (segid F and resid 20 and name CZ)(segid F and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid F and resid 20 and name CZ)(segid F and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid F and resid 20 and name CZ)(segid F and resid 18 and name CA) 5.5 2.5 1.5
assign (segid F and resid 20 and name CZ)(segid F and resid 18 and name CB) 5.5 2.5 1.5
assign (segid F and resid 3 and name CD)(segid F and resid 26 and name CA) 5.5 2.5 1.5
assign (segid F and resid 3 and name CD)(segid F and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid F and resid 3 and name CD)(segid F and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid F and resid 23 and name CG)(segid F and resid 28 and name CG) 5.5 2.5 1.5
assign (segid F and resid 23 and name CG)(segid F and resid 28 and name CD) 5.5 2.5 1.5
assign (segid F and resid 2 and name C)(segid F and resid 25 and name CA) 5.5 2.5 1.5
assign (segid F and resid 41 and name P)(segid F and resid 25 and name C) 7.0 0.5 0.5
assign (segid F and resid 41 and name P)(segid F and resid 25 and name CA) 7.0 0.5 0.5
assign (segid F and resid 41 and name P)(segid F and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid F and resid 41 and name P)(segid F and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid F and resid 34 and name CB)(segid F and resid 36 and name CB) 5.5 2.5 1.5
assign (segid F and resid 34 and name CB)(segid F and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid F and resid 34 and name CB)(segid F and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid F and resid 27 and name CB)(segid F and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid F and resid 12 and name CG1)(segid F and resid 22 and name CG) 5.5 2.5 1.5
assign (segid F and resid 12 and name CG2)(segid F and resid 22 and name CG) 5.5 2.5 1.5
assign (segid F and resid 12 and name C)(segid F and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid F and resid 12 and name CB)(segid F and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand G
assign (segid G and resid 20 and name CZ)(segid G and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid G and resid 20 and name CZ)(segid G and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid G and resid 20 and name CZ)(segid G and resid 18 and name CA) 5.5 2.5 1.5
assign (segid G and resid 20 and name CZ)(segid G and resid 18 and name CB) 5.5 2.5 1.5
assign (segid G and resid 3 and name CD)(segid G and resid 26 and name CA) 5.5 2.5 1.5
assign (segid G and resid 3 and name CD)(segid G and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid G and resid 3 and name CD)(segid G and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid G and resid 23 and name CG)(segid G and resid 28 and name CG) 5.5 2.5 1.5
assign (segid G and resid 23 and name CG)(segid G and resid 28 and name CD) 5.5 2.5 1.5
assign (segid G and resid 2 and name C)(segid G and resid 25 and name CA) 5.5 2.5 1.5
assign (segid G and resid 41 and name P)(segid G and resid 25 and name C) 7.0 0.5 0.5
assign (segid G and resid 41 and name P)(segid G and resid 25 and name CA) 7.0 0.5 0.5
assign (segid G and resid 41 and name P)(segid G and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid G and resid 41 and name P)(segid G and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid G and resid 34 and name CB)(segid G and resid 36 and name CB) 5.5 2.5 1.5
assign (segid G and resid 34 and name CB)(segid G and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid G and resid 34 and name CB)(segid G and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid G and resid 27 and name CB)(segid G and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid G and resid 12 and name CG1)(segid G and resid 22 and name CG) 5.5 2.5 1.5
assign (segid G and resid 12 and name CG2)(segid G and resid 22 and name CG) 5.5 2.5 1.5
assign (segid G and resid 12 and name C)(segid G and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid G and resid 12 and name CB)(segid G and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand H
assign (segid H and resid 20 and name CZ)(segid H and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid H and resid 20 and name CZ)(segid H and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid H and resid 20 and name CZ)(segid H and resid 18 and name CA) 5.5 2.5 1.5
assign (segid H and resid 20 and name CZ)(segid H and resid 18 and name CB) 5.5 2.5 1.5
assign (segid H and resid 3 and name CD)(segid H and resid 26 and name CA) 5.5 2.5 1.5
assign (segid H and resid 3 and name CD)(segid H and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid H and resid 3 and name CD)(segid H and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid H and resid 23 and name CG)(segid H and resid 28 and name CG) 5.5 2.5 1.5
assign (segid H and resid 23 and name CG)(segid H and resid 28 and name CD) 5.5 2.5 1.5
assign (segid H and resid 2 and name C)(segid H and resid 25 and name CA) 5.5 2.5 1.5
assign (segid H and resid 41 and name P)(segid H and resid 25 and name C) 7.0 0.5 0.5
assign (segid H and resid 41 and name P)(segid H and resid 25 and name CA) 7.0 0.5 0.5
assign (segid H and resid 41 and name P)(segid H and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid H and resid 41 and name P)(segid H and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid H and resid 34 and name CB)(segid H and resid 36 and name CB) 5.5 2.5 1.5
assign (segid H and resid 34 and name CB)(segid H and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid H and resid 34 and name CB)(segid H and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid H and resid 27 and name CB)(segid H and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid H and resid 12 and name CG1)(segid H and resid 22 and name CG) 5.5 2.5 1.5
assign (segid H and resid 12 and name CG2)(segid H and resid 22 and name CG) 5.5 2.5 1.5
assign (segid H and resid 12 and name C)(segid H and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid H and resid 12 and name CB)(segid H and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand I
assign (segid I and resid 20 and name CZ)(segid I and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid I and resid 20 and name CZ)(segid I and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid I and resid 20 and name CZ)(segid I and resid 18 and name CA) 5.5 2.5 1.5
assign (segid I and resid 20 and name CZ)(segid I and resid 18 and name CB) 5.5 2.5 1.5
assign (segid I and resid 3 and name CD)(segid I and resid 26 and name CA) 5.5 2.5 1.5
assign (segid I and resid 3 and name CD)(segid I and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid I and resid 3 and name CD)(segid I and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid I and resid 23 and name CG)(segid I and resid 28 and name CG) 5.5 2.5 1.5
assign (segid I and resid 23 and name CG)(segid I and resid 28 and name CD) 5.5 2.5 1.5
assign (segid I and resid 2 and name C)(segid I and resid 25 and name CA) 5.5 2.5 1.5
assign (segid I and resid 41 and name P)(segid I and resid 25 and name C) 7.0 0.5 0.5
assign (segid I and resid 41 and name P)(segid I and resid 25 and name CA) 7.0 0.5 0.5
assign (segid I and resid 41 and name P)(segid I and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid I and resid 41 and name P)(segid I and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid I and resid 34 and name CB)(segid I and resid 36 and name CB) 5.5 2.5 1.5
assign (segid I and resid 34 and name CB)(segid I and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid I and resid 34 and name CB)(segid I and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid I and resid 27 and name CB)(segid I and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid I and resid 12 and name CG1)(segid I and resid 22 and name CG) 5.5 2.5 1.5
assign (segid I and resid 12 and name CG2)(segid I and resid 22 and name CG) 5.5 2.5 1.5
assign (segid I and resid 12 and name C)(segid I and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid I and resid 12 and name CB)(segid I and resid 20 and name CZ) 5.5 2.5 1.5


!! intra-strand for strand J
assign (segid J and resid 20 and name CZ)(segid J and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid J and resid 20 and name CZ)(segid J and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid J and resid 20 and name CZ)(segid J and resid 18 and name CA) 5.5 2.5 1.5
assign (segid J and resid 20 and name CZ)(segid J and resid 18 and name CB) 5.5 2.5 1.5
assign (segid J and resid 3 and name CD)(segid J and resid 26 and name CA) 5.5 2.5 1.5
assign (segid J and resid 3 and name CD)(segid J and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid J and resid 3 and name CD)(segid J and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid J and resid 23 and name CG)(segid J and resid 28 and name CG) 5.5 2.5 1.5
assign (segid J and resid 23 and name CG)(segid J and resid 28 and name CD) 5.5 2.5 1.5
assign (segid J and resid 2 and name C)(segid J and resid 25 and name CA) 5.5 2.5 1.5
assign (segid J and resid 41 and name P)(segid J and resid 25 and name C) 7.0 0.5 0.5
assign (segid J and resid 41 and name P)(segid J and resid 25 and name CA) 7.0 0.5 0.5
assign (segid J and resid 41 and name P)(segid J and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid J and resid 41 and name P)(segid J and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid J and resid 34 and name CB)(segid J and resid 36 and name CB) 5.5 2.5 1.5
assign (segid J and resid 34 and name CB)(segid J and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid J and resid 34 and name CB)(segid J and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid J and resid 27 and name CB)(segid J and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid J and resid 12 and name CG1)(segid J and resid 22 and name CG) 5.5 2.5 1.5
assign (segid J and resid 12 and name CG2)(segid J and resid 22 and name CG) 5.5 2.5 1.5
assign (segid J and resid 12 and name C)(segid J and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid J and resid 12 and name CB)(segid J and resid 20 and name CZ) 5.5 2.5 1.5


!! inter-strand for 19-34
assign (segid A and resid 19 and name CZ)(segid B and resid 34 and name CG) 5.5 2.5 1.5
assign (segid A and resid 19 and name CZ)(segid B and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid A and resid 19 and name CZ)(segid B and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid A and resid 19 and name CZ)(segid B and resid 34 and name CB) 5.5 2.5 1.5
assign (segid B and resid 19 and name CZ)(segid C and resid 34 and name CG) 5.5 2.5 1.5
assign (segid B and resid 19 and name CZ)(segid C and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid B and resid 19 and name CZ)(segid C and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid B and resid 19 and name CZ)(segid C and resid 34 and name CB) 5.5 2.5 1.5
assign (segid C and resid 19 and name CZ)(segid D and resid 34 and name CG) 5.5 2.5 1.5
assign (segid C and resid 19 and name CZ)(segid D and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid C and resid 19 and name CZ)(segid D and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid C and resid 19 and name CZ)(segid D and resid 34 and name CB) 5.5 2.5 1.5
assign (segid D and resid 19 and name CZ)(segid E and resid 34 and name CG) 5.5 2.5 1.5
assign (segid D and resid 19 and name CZ)(segid E and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid D and resid 19 and name CZ)(segid E and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid D and resid 19 and name CZ)(segid E and resid 34 and name CB) 5.5 2.5 1.5
assign (segid F and resid 19 and name CZ)(segid G and resid 34 and name CG) 5.5 2.5 1.5
assign (segid F and resid 19 and name CZ)(segid G and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid F and resid 19 and name CZ)(segid G and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid F and resid 19 and name CZ)(segid G and resid 34 and name CB) 5.5 2.5 1.5
assign (segid G and resid 19 and name CZ)(segid H and resid 34 and name CG) 5.5 2.5 1.5
assign (segid G and resid 19 and name CZ)(segid H and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid G and resid 19 and name CZ)(segid H and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid G and resid 19 and name CZ)(segid H and resid 34 and name CB) 5.5 2.5 1.5
assign (segid H and resid 19 and name CZ)(segid I and resid 34 and name CG) 5.5 2.5 1.5
assign (segid H and resid 19 and name CZ)(segid I and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid H and resid 19 and name CZ)(segid I and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid H and resid 19 and name CZ)(segid I and resid 34 and name CB) 5.5 2.5 1.5
assign (segid I and resid 19 and name CZ)(segid J and resid 34 and name CG) 5.5 2.5 1.5
assign (segid I and resid 19 and name CZ)(segid J and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid I and resid 19 and name CZ)(segid J and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid I and resid 19 and name CZ)(segid J and resid 34 and name CB) 5.5 2.5 1.5


!! inter-strand for 21-34
assign (segid A and resid 21 and name CB)(segid B and resid 34 and name CG) 5.5 2.5 1.5
assign (segid B and resid 21 and name CB)(segid C and resid 34 and name CG) 5.5 2.5 1.5
assign (segid C and resid 21 and name CB)(segid D and resid 34 and name CG) 5.5 2.5 1.5
assign (segid D and resid 21 and name CB)(segid E and resid 34 and name CG) 5.5 2.5 1.5
assign (segid F and resid 21 and name CB)(segid G and resid 34 and name CG) 5.5 2.5 1.5
assign (segid G and resid 21 and name CB)(segid H and resid 34 and name CG) 5.5 2.5 1.5
assign (segid H and resid 21 and name CB)(segid I and resid 34 and name CG) 5.5 2.5 1.5
assign (segid I and resid 21 and name CB)(segid J and resid 34 and name CG) 5.5 2.5 1.5

!! inter-strand for 17-38
assign (segid A and resid 17 and name CB)(segid B and resid 38 and name CA) 5.5 2.5 1.5
assign (segid B and resid 17 and name CB)(segid C and resid 38 and name CA) 5.5 2.5 1.5
assign (segid C and resid 17 and name CB)(segid D and resid 38 and name CA) 5.5 2.5 1.5
assign (segid D and resid 17 and name CB)(segid E and resid 38 and name CA) 5.5 2.5 1.5
assign (segid F and resid 17 and name CB)(segid G and resid 38 and name CA) 5.5 2.5 1.5
assign (segid G and resid 17 and name CB)(segid H and resid 38 and name CA) 5.5 2.5 1.5
assign (segid H and resid 17 and name CB)(segid I and resid 38 and name CA) 5.5 2.5 1.5
assign (segid I and resid 17 and name CB)(segid J and resid 38 and name CA) 5.5 2.5 1.5

!! inter-strand side chain at A2, determined by PITHIRDs-CT
assign (segid A and resid 2 and name CB)(segid B and resid 2 and name CB) 7.0 0.5 0.2
assign (segid B and resid 2 and name CB)(segid C and resid 2 and name CB) 7.0 0.5 0.2
assign (segid C and resid 2 and name CB)(segid D and resid 2 and name CB) 7.0 0.5 0.2
assign (segid D and resid 2 and name CB)(segid E and resid 2 and name CB) 7.0 0.5 0.2
assign (segid F and resid 2 and name CB)(segid G and resid 2 and name CB) 7.0 0.5 0.2
assign (segid G and resid 2 and name CB)(segid H and resid 2 and name CB) 7.0 0.5 0.2
assign (segid H and resid 2 and name CB)(segid I and resid 2 and name CB) 7.0 0.5 0.2
assign (segid I and resid 2 and name CB)(segid J and resid 2 and name CB) 7.0 0.5 0.2


!! inter-strand backbone and side chain at V12 V18 A21 V24 A30 G33 and V39

assign (segid A and resid 9 and name CA)(segid B and resid 9 and name CA) 5.3 0.6 0.2
assign (segid B and resid 9 and name CA)(segid C and resid 9 and name CA) 5.3 0.6 0.2
assign (segid C and resid 9 and name CA)(segid D and resid 9 and name CA) 5.3 0.6 0.2
assign (segid D and resid 9 and name CA)(segid E and resid 9 and name CA) 5.3 0.6 0.2

assign (segid A and resid 12 and name C)(segid B and resid 12 and name C) 5.3 0.6 0.2
assign (segid B and resid 12 and name C)(segid C and resid 12 and name C) 5.3 0.6 0.2
assign (segid C and resid 12 and name C)(segid D and resid 12 and name C) 5.3 0.6 0.2
assign (segid D and resid 12 and name C)(segid E and resid 12 and name C) 5.3 0.6 0.2

assign (segid A and resid 18 and name C)(segid B and resid 18 and name C) 5.3 0.6 0.2
assign (segid B and resid 18 and name C)(segid C and resid 18 and name C) 5.3 0.6 0.2
assign (segid C and resid 18 and name C)(segid D and resid 18 and name C) 5.3 0.6 0.2
assign (segid D and resid 18 and name C)(segid E and resid 18 and name C) 5.3 0.6 0.2

assign (segid A and resid 21 and name CB)(segid B and resid 21 and name CB) 5.3 0.6 0.2
assign (segid B and resid 21 and name CB)(segid C and resid 21 and name CB) 5.3 0.6 0.2
assign (segid C and resid 21 and name CB)(segid D and resid 21 and name CB) 5.3 0.6 0.2
assign (segid D and resid 21 and name CB)(segid E and resid 21 and name CB) 5.3 0.6 0.2

assign (segid A and resid 24 and name C)(segid B and resid 24 and name C) 5.3 0.6 0.2
assign (segid B and resid 24 and name C)(segid C and resid 24 and name C) 5.3 0.6 0.2
assign (segid C and resid 24 and name C)(segid D and resid 24 and name C) 5.3 0.6 0.2
assign (segid D and resid 24 and name C)(segid E and resid 24 and name C) 5.3 0.6 0.2

assign (segid A and resid 30 and name CB)(segid B and resid 30 and name CB) 5.3 0.6 0.2
assign (segid B and resid 30 and name CB)(segid C and resid 30 and name CB) 5.3 0.6 0.2
assign (segid C and resid 30 and name CB)(segid D and resid 30 and name CB) 5.3 0.6 0.2
assign (segid D and resid 30 and name CB)(segid E and resid 30 and name CB) 5.3 0.6 0.2

assign (segid A and resid 33 and name CA)(segid B and resid 33 and name CA) 5.3 0.6 0.2
assign (segid B and resid 33 and name CA)(segid C and resid 33 and name CA) 5.3 0.6 0.2
assign (segid C and resid 33 and name CA)(segid D and resid 33 and name CA) 5.3 0.6 0.2
assign (segid D and resid 33 and name CA)(segid E and resid 33 and name CA) 5.3 0.6 0.2

assign (segid A and resid 36 and name CA)(segid B and resid 36 and name CA) 5.3 0.6 0.2
assign (segid B and resid 36 and name CA)(segid C and resid 36 and name CA) 5.3 0.6 0.2
assign (segid C and resid 36 and name CA)(segid D and resid 36 and name CA) 5.3 0.6 0.2
assign (segid D and resid 36 and name CA)(segid E and resid 36 and name CA) 5.3 0.6 0.2

assign (segid A and resid 38 and name CA)(segid B and resid 38 and name CA) 5.3 0.6 0.2
assign (segid B and resid 38 and name CA)(segid C and resid 38 and name CA) 5.3 0.6 0.2
assign (segid C and resid 38 and name CA)(segid D and resid 38 and name CA) 5.3 0.6 0.2
assign (segid D and resid 38 and name CA)(segid E and resid 38 and name CA) 5.3 0.6 0.2

assign (segid A and resid 39 and name C)(segid B and resid 39 and name C) 5.3 0.6 0.2
assign (segid B and resid 39 and name C)(segid C and resid 39 and name C) 5.3 0.6 0.2
assign (segid C and resid 39 and name C)(segid D and resid 39 and name C) 5.3 0.6 0.2
assign (segid D and resid 39 and name C)(segid E and resid 39 and name C) 5.3 0.6 0.2

assign (segid F and resid 9 and name CA)(segid G and resid 9 and name CA) 5.3 0.6 0.2
assign (segid G and resid 9 and name CA)(segid H and resid 9 and name CA) 5.3 0.6 0.2
assign (segid H and resid 9 and name CA)(segid I and resid 9 and name CA) 5.3 0.6 0.2
assign (segid I and resid 9 and name CA)(segid J and resid 9 and name CA) 5.3 0.6 0.2

assign (segid F and resid 12 and name C)(segid G and resid 12 and name C) 5.3 0.6 0.2
assign (segid G and resid 12 and name C)(segid H and resid 12 and name C) 5.3 0.6 0.2
assign (segid H and resid 12 and name C)(segid I and resid 12 and name C) 5.3 0.6 0.2
assign (segid I and resid 12 and name C)(segid J and resid 12 and name C) 5.3 0.6 0.2

assign (segid F and resid 18 and name C)(segid G and resid 18 and name C) 5.3 0.6 0.2
assign (segid G and resid 18 and name C)(segid H and resid 18 and name C) 5.3 0.6 0.2
assign (segid H and resid 18 and name C)(segid I and resid 18 and name C) 5.3 0.6 0.2
assign (segid I and resid 18 and name C)(segid J and resid 18 and name C) 5.3 0.6 0.2

assign (segid F and resid 21 and name CB)(segid G and resid 21 and name CB) 5.3 0.6 0.2
assign (segid G and resid 21 and name CB)(segid H and resid 21 and name CB) 5.3 0.6 0.2
assign (segid H and resid 21 and name CB)(segid I and resid 21 and name CB) 5.3 0.6 0.2
assign (segid I and resid 21 and name CB)(segid J and resid 21 and name CB) 5.3 0.6 0.2

assign (segid F and resid 24 and name C)(segid G and resid 24 and name C) 5.3 0.6 0.2
assign (segid G and resid 24 and name C)(segid H and resid 24 and name C) 5.3 0.6 0.2
assign (segid H and resid 24 and name C)(segid I and resid 24 and name C) 5.3 0.6 0.2
assign (segid I and resid 24 and name C)(segid J and resid 24 and name C) 5.3 0.6 0.2

assign (segid F and resid 30 and name CB)(segid G and resid 30 and name CB) 5.3 0.6 0.2
assign (segid G and resid 30 and name CB)(segid H and resid 30 and name CB) 5.3 0.6 0.2
assign (segid H and resid 30 and name CB)(segid I and resid 30 and name CB) 5.3 0.6 0.2
assign (segid I and resid 30 and name CB)(segid J and resid 30 and name CB) 5.3 0.6 0.2

assign (segid F and resid 33 and name CA)(segid G and resid 33 and name CA) 5.3 0.6 0.2
assign (segid G and resid 33 and name CA)(segid H and resid 33 and name CA) 5.3 0.6 0.2
assign (segid H and resid 33 and name CA)(segid I and resid 33 and name CA) 5.3 0.6 0.2
assign (segid I and resid 33 and name CA)(segid J and resid 33 and name CA) 5.3 0.6 0.2

assign (segid F and resid 36 and name CA)(segid G and resid 36 and name CA) 5.3 0.6 0.2
assign (segid G and resid 36 and name CA)(segid H and resid 36 and name CA) 5.3 0.6 0.2
assign (segid H and resid 36 and name CA)(segid I and resid 36 and name CA) 5.3 0.6 0.2
assign (segid I and resid 36 and name CA)(segid J and resid 36 and name CA) 5.3 0.6 0.2

assign (segid F and resid 38 and name CA)(segid G and resid 38 and name CA) 5.3 0.6 0.2
assign (segid G and resid 38 and name CA)(segid H and resid 38 and name CA) 5.3 0.6 0.2
assign (segid H and resid 38 and name CA)(segid I and resid 38 and name CA) 5.3 0.6 0.2
assign (segid I and resid 38 and name CA)(segid J and resid 38 and name CA) 5.3 0.6 0.2

assign (segid F and resid 39 and name C)(segid G and resid 39 and name C) 5.3 0.6 0.2
assign (segid G and resid 39 and name C)(segid H and resid 39 and name C) 5.3 0.6 0.2
assign (segid H and resid 39 and name C)(segid I and resid 39 and name C) 5.3 0.6 0.2
assign (segid I and resid 39 and name C)(segid J and resid 39 and name C) 5.3 0.6 0.2

!! inter-strand side chain at 31P-SER8, determined by 31P-PITHIRDs-CT
assign (segid A and resid 41 and name P)(segid B and resid 41 and name P) 6.8 0.3 0.2
assign (segid B and resid 41 and name P)(segid C and resid 41 and name P) 6.8 0.3 0.2
assign (segid C and resid 41 and name P)(segid D and resid 41 and name P) 6.8 0.3 0.2
assign (segid D and resid 41 and name P)(segid E and resid 41 and name P) 6.8 0.3 0.2
assign (segid F and resid 41 and name P)(segid G and resid 41 and name P) 6.8 0.3 0.2
assign (segid G and resid 41 and name P)(segid H and resid 41 and name P) 6.8 0.3 0.2
assign (segid H and resid 41 and name P)(segid I and resid 41 and name P) 6.8 0.3 0.2
assign (segid I and resid 41 and name P)(segid J and resid 41 and name P) 6.8 0.3 0.2

!! interaction between two subdomains
assign (segid A and reside 39 and name CG1)(segid F and reside 33 and name CA) 5.5 2.5 1.5
assign (segid F and reside 39 and name CG1)(segid A and reside 33 and name CA) 5.5 2.5 1.5
assign (segid B and reside 39 and name CG1)(segid G and reside 33 and name CA) 5.5 2.5 1.5
assign (segid G and reside 39 and name CG1)(segid B and reside 33 and name CA) 5.5 2.5 1.5
assign (segid C and reside 39 and name CG1)(segid H and reside 33 and name CA) 5.5 2.5 1.5
assign (segid H and reside 39 and name CG1)(segid C and reside 33 and name CA) 5.5 2.5 1.5
assign (segid D and reside 39 and name CG1)(segid I and reside 33 and name CA) 5.5 2.5 1.5
assign (segid I and reside 39 and name CG1)(segid D and reside 33 and name CA) 5.5 2.5 1.5
assign (segid E and reside 39 and name CG1)(segid J and reside 33 and name CA) 5.5 2.5 1.5
assign (segid J and reside 39 and name CG1)(segid E and reside 33 and name CA) 5.5 2.5 1.5

assign (segid A and reside 39 and name CG2)(segid F and reside 31 and name CG2) 5.5 2.5 1.5
assign (segid F and reside 39 and name CG2)(segid A and reside 31 and name CG2) 5.5 2.5 1.5
assign (segid B and reside 39 and name CG2)(segid G and reside 31 and name CG2) 5.5 2.5 1.5
assign (segid G and reside 39 and name CG2)(segid B and reside 31 and name CG2) 5.5 2.5 1.5
assign (segid C and reside 39 and name CG2)(segid H and reside 31 and name CG2) 5.5 2.5 1.5
assign (segid H and reside 39 and name CG2)(segid C and reside 31 and name CG2) 5.5 2.5 1.5
assign (segid D and reside 39 and name CG2)(segid I and reside 31 and name CG2) 5.5 2.5 1.5
assign (segid I and reside 39 and name CG2)(segid D and reside 31 and name CG2) 5.5 2.5 1.5
assign (segid E and reside 39 and name CG2)(segid J and reside 31 and name CG2) 5.5 2.5 1.5
assign (segid J and reside 39 and name CG2)(segid E and reside 31 and name CG2) 5.5 2.5 1.5

assign (segid A and reside 35 and name CE)(segid F and reside 35 and name CE) 5.5 2.5 1.5
assign (segid B and reside 35 and name CE)(segid G and reside 35 and name CE) 5.5 2.5 1.5
assign (segid C and reside 35 and name CE)(segid H and reside 35 and name CE) 5.5 2.5 1.5
assign (segid D and reside 35 and name CE)(segid I and reside 35 and name CE) 5.5 2.5 1.5
assign (segid E and reside 35 and name CE)(segid J and reside 35 and name CE) 5.5 2.5 1.5


set echo=true end
set wrnlev=5 end
# Restraints file 3: noe2.tbl
set echo=false end
set wrnlev=0 end

!! intra-strand for strand A 
assign (segid A and resid 20 and name CZ)(segid A and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid A and resid 20 and name CZ)(segid A and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid A and resid 20 and name CZ)(segid A and resid 18 and name CA) 5.5 2.5 1.5
assign (segid A and resid 20 and name CZ)(segid A and resid 18 and name CB) 5.5 2.5 1.5
assign (segid A and resid 3 and name CD)(segid A and resid 26 and name CA) 5.5 2.5 1.5
assign (segid A and resid 3 and name CD)(segid A and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid A and resid 3 and name CD)(segid A and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid A and resid 23 and name CG)(segid A and resid 28 and name CG) 5.5 2.5 1.5
assign (segid A and resid 23 and name CG)(segid A and resid 28 and name CD) 5.5 2.5 1.5
assign (segid A and resid 2 and name C)(segid A and resid 25 and name CA) 5.5 2.5 1.5
assign (segid A and resid 41 and name P)(segid A and resid 25 and name C) 7.0 0.5 0.5
assign (segid A and resid 41 and name P)(segid A and resid 25 and name CA) 7.0 0.5 0.5
assign (segid A and resid 41 and name P)(segid A and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid A and resid 41 and name P)(segid A and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid A and resid 34 and name CB)(segid A and resid 36 and name CB) 5.5 2.5 1.5
assign (segid A and resid 34 and name CB)(segid A and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid A and resid 34 and name CB)(segid A and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid A and resid 27 and name CB)(segid A and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid A and resid 12 and name CG1)(segid A and resid 22 and name CG) 5.5 2.5 1.5
assign (segid A and resid 12 and name CG2)(segid A and resid 22 and name CG) 5.5 2.5 1.5
assign (segid A and resid 12 and name C)(segid A and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid A and resid 12 and name CB)(segid A and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand B
assign (segid B and resid 20 and name CZ)(segid B and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid B and resid 20 and name CZ)(segid B and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid B and resid 20 and name CZ)(segid B and resid 18 and name CA) 5.5 2.5 1.5
assign (segid B and resid 20 and name CZ)(segid B and resid 18 and name CB) 5.5 2.5 1.5
assign (segid B and resid 3 and name CD)(segid B and resid 26 and name CA) 5.5 2.5 1.5
assign (segid B and resid 3 and name CD)(segid B and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid B and resid 3 and name CD)(segid B and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid B and resid 23 and name CG)(segid B and resid 28 and name CG) 5.5 2.5 1.5
assign (segid B and resid 23 and name CG)(segid B and resid 28 and name CD) 5.5 2.5 1.5
assign (segid B and resid 2 and name C)(segid B and resid 25 and name CA) 5.5 2.5 1.5
assign (segid B and resid 41 and name P)(segid B and resid 25 and name C) 7.0 0.5 0.5
assign (segid B and resid 41 and name P)(segid B and resid 25 and name CA) 7.0 0.5 0.5
assign (segid B and resid 41 and name P)(segid B and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid B and resid 41 and name P)(segid B and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid B and resid 34 and name CB)(segid B and resid 36 and name CB) 5.5 2.5 1.5
assign (segid B and resid 34 and name CB)(segid B and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid B and resid 34 and name CB)(segid B and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid B and resid 27 and name CB)(segid B and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid B and resid 12 and name CG1)(segid B and resid 22 and name CG) 5.5 2.5 1.5
assign (segid B and resid 12 and name CG2)(segid B and resid 22 and name CG) 5.5 2.5 1.5
assign (segid B and resid 12 and name C)(segid B and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid B and resid 12 and name CB)(segid B and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand C 
assign (segid C and resid 20 and name CZ)(segid C and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid C and resid 20 and name CZ)(segid C and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid C and resid 20 and name CZ)(segid C and resid 18 and name CA) 5.5 2.5 1.5
assign (segid C and resid 20 and name CZ)(segid C and resid 18 and name CB) 5.5 2.5 1.5
assign (segid C and resid 3 and name CD)(segid C and resid 26 and name CA) 5.5 2.5 1.5
assign (segid C and resid 3 and name CD)(segid C and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid C and resid 3 and name CD)(segid C and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid C and resid 23 and name CG)(segid C and resid 28 and name CG) 5.5 2.5 1.5
assign (segid C and resid 23 and name CG)(segid C and resid 28 and name CD) 5.5 2.5 1.5
assign (segid C and resid 2 and name C)(segid C and resid 25 and name CA) 5.5 2.5 1.5
assign (segid C and resid 41 and name P)(segid C and resid 25 and name C) 7.0 0.5 0.5
assign (segid C and resid 41 and name P)(segid C and resid 25 and name CA) 7.0 0.5 0.5
assign (segid C and resid 41 and name P)(segid C and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid C and resid 41 and name P)(segid C and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid C and resid 34 and name CB)(segid C and resid 36 and name CB) 5.5 2.5 1.5
assign (segid C and resid 34 and name CB)(segid C and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid C and resid 34 and name CB)(segid C and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid C and resid 27 and name CB)(segid C and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid C and resid 12 and name CG1)(segid C and resid 22 and name CG) 5.5 2.5 1.5
assign (segid C and resid 12 and name CG2)(segid C and resid 22 and name CG) 5.5 2.5 1.5
assign (segid C and resid 12 and name C)(segid C and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid C and resid 12 and name CB)(segid C and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand D
assign (segid D and resid 20 and name CZ)(segid D and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid D and resid 20 and name CZ)(segid D and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid D and resid 20 and name CZ)(segid D and resid 18 and name CA) 5.5 2.5 1.5
assign (segid D and resid 20 and name CZ)(segid D and resid 18 and name CB) 5.5 2.5 1.5
assign (segid D and resid 3 and name CD)(segid D and resid 26 and name CA) 5.5 2.5 1.5
assign (segid D and resid 3 and name CD)(segid D and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid D and resid 3 and name CD)(segid D and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid D and resid 23 and name CG)(segid D and resid 28 and name CG) 5.5 2.5 1.5
assign (segid D and resid 23 and name CG)(segid D and resid 28 and name CD) 5.5 2.5 1.5
assign (segid D and resid 2 and name C)(segid D and resid 25 and name CA) 5.5 2.5 1.5
assign (segid D and resid 41 and name P)(segid D and resid 25 and name C) 7.0 0.5 0.5
assign (segid D and resid 41 and name P)(segid D and resid 25 and name CA) 7.0 0.5 0.5
assign (segid D and resid 41 and name P)(segid D and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid D and resid 41 and name P)(segid D and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid D and resid 34 and name CB)(segid D and resid 36 and name CB) 5.5 2.5 1.5
assign (segid D and resid 34 and name CB)(segid D and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid D and resid 34 and name CB)(segid D and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid D and resid 27 and name CB)(segid D and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid D and resid 12 and name CG1)(segid D and resid 22 and name CG) 5.5 2.5 1.5
assign (segid D and resid 12 and name CG2)(segid D and resid 22 and name CG) 5.5 2.5 1.5
assign (segid D and resid 12 and name C)(segid D and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid D and resid 12 and name CB)(segid D and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand E
assign (segid E and resid 20 and name CZ)(segid E and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid E and resid 20 and name CZ)(segid E and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid E and resid 20 and name CZ)(segid E and resid 18 and name CA) 5.5 2.5 1.5
assign (segid E and resid 20 and name CZ)(segid E and resid 18 and name CB) 5.5 2.5 1.5
assign (segid E and resid 3 and name CD)(segid E and resid 26 and name CA) 5.5 2.5 1.5
assign (segid E and resid 3 and name CD)(segid E and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid E and resid 3 and name CD)(segid E and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid E and resid 23 and name CG)(segid E and resid 28 and name CG) 5.5 2.5 1.5
assign (segid E and resid 23 and name CG)(segid E and resid 28 and name CD) 5.5 2.5 1.5
assign (segid E and resid 2 and name C)(segid E and resid 25 and name CA) 5.5 2.5 1.5
assign (segid E and resid 41 and name P)(segid E and resid 25 and name C) 7.0 0.5 0.5
assign (segid E and resid 41 and name P)(segid E and resid 25 and name CA) 7.0 0.5 0.5
assign (segid E and resid 41 and name P)(segid E and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid E and resid 41 and name P)(segid E and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid E and resid 34 and name CB)(segid E and resid 36 and name CB) 5.5 2.5 1.5
assign (segid E and resid 34 and name CB)(segid E and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid E and resid 34 and name CB)(segid E and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid E and resid 27 and name CB)(segid E and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid E and resid 12 and name CG1)(segid E and resid 22 and name CG) 5.5 2.5 1.5
assign (segid E and resid 12 and name CG2)(segid E and resid 22 and name CG) 5.5 2.5 1.5
assign (segid E and resid 12 and name C)(segid E and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid E and resid 12 and name CB)(segid E and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand F
assign (segid F and resid 20 and name CZ)(segid F and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid F and resid 20 and name CZ)(segid F and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid F and resid 20 and name CZ)(segid F and resid 18 and name CA) 5.5 2.5 1.5
assign (segid F and resid 20 and name CZ)(segid F and resid 18 and name CB) 5.5 2.5 1.5
assign (segid F and resid 3 and name CD)(segid F and resid 26 and name CA) 5.5 2.5 1.5
assign (segid F and resid 3 and name CD)(segid F and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid F and resid 3 and name CD)(segid F and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid F and resid 23 and name CG)(segid F and resid 28 and name CG) 5.5 2.5 1.5
assign (segid F and resid 23 and name CG)(segid F and resid 28 and name CD) 5.5 2.5 1.5
assign (segid F and resid 2 and name C)(segid F and resid 25 and name CA) 5.5 2.5 1.5
assign (segid F and resid 41 and name P)(segid F and resid 25 and name C) 7.0 0.5 0.5
assign (segid F and resid 41 and name P)(segid F and resid 25 and name CA) 7.0 0.5 0.5
assign (segid F and resid 41 and name P)(segid F and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid F and resid 41 and name P)(segid F and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid F and resid 34 and name CB)(segid F and resid 36 and name CB) 5.5 2.5 1.5
assign (segid F and resid 34 and name CB)(segid F and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid F and resid 34 and name CB)(segid F and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid F and resid 27 and name CB)(segid F and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid F and resid 12 and name CG1)(segid F and resid 22 and name CG) 5.5 2.5 1.5
assign (segid F and resid 12 and name CG2)(segid F and resid 22 and name CG) 5.5 2.5 1.5
assign (segid F and resid 12 and name C)(segid F and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid F and resid 12 and name CB)(segid F and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand G
assign (segid G and resid 20 and name CZ)(segid G and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid G and resid 20 and name CZ)(segid G and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid G and resid 20 and name CZ)(segid G and resid 18 and name CA) 5.5 2.5 1.5
assign (segid G and resid 20 and name CZ)(segid G and resid 18 and name CB) 5.5 2.5 1.5
assign (segid G and resid 3 and name CD)(segid G and resid 26 and name CA) 5.5 2.5 1.5
assign (segid G and resid 3 and name CD)(segid G and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid G and resid 3 and name CD)(segid G and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid G and resid 23 and name CG)(segid G and resid 28 and name CG) 5.5 2.5 1.5
assign (segid G and resid 23 and name CG)(segid G and resid 28 and name CD) 5.5 2.5 1.5
assign (segid G and resid 2 and name C)(segid G and resid 25 and name CA) 5.5 2.5 1.5
assign (segid G and resid 41 and name P)(segid G and resid 25 and name C) 7.0 0.5 0.5
assign (segid G and resid 41 and name P)(segid G and resid 25 and name CA) 7.0 0.5 0.5
assign (segid G and resid 41 and name P)(segid G and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid G and resid 41 and name P)(segid G and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid G and resid 34 and name CB)(segid G and resid 36 and name CB) 5.5 2.5 1.5
assign (segid G and resid 34 and name CB)(segid G and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid G and resid 34 and name CB)(segid G and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid G and resid 27 and name CB)(segid G and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid G and resid 12 and name CG1)(segid G and resid 22 and name CG) 5.5 2.5 1.5
assign (segid G and resid 12 and name CG2)(segid G and resid 22 and name CG) 5.5 2.5 1.5
assign (segid G and resid 12 and name C)(segid G and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid G and resid 12 and name CB)(segid G and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand H
assign (segid H and resid 20 and name CZ)(segid H and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid H and resid 20 and name CZ)(segid H and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid H and resid 20 and name CZ)(segid H and resid 18 and name CA) 5.5 2.5 1.5
assign (segid H and resid 20 and name CZ)(segid H and resid 18 and name CB) 5.5 2.5 1.5
assign (segid H and resid 3 and name CD)(segid H and resid 26 and name CA) 5.5 2.5 1.5
assign (segid H and resid 3 and name CD)(segid H and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid H and resid 3 and name CD)(segid H and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid H and resid 23 and name CG)(segid H and resid 28 and name CG) 5.5 2.5 1.5
assign (segid H and resid 23 and name CG)(segid H and resid 28 and name CD) 5.5 2.5 1.5
assign (segid H and resid 2 and name C)(segid H and resid 25 and name CA) 5.5 2.5 1.5
assign (segid H and resid 41 and name P)(segid H and resid 25 and name C) 7.0 0.5 0.5
assign (segid H and resid 41 and name P)(segid H and resid 25 and name CA) 7.0 0.5 0.5
assign (segid H and resid 41 and name P)(segid H and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid H and resid 41 and name P)(segid H and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid H and resid 34 and name CB)(segid H and resid 36 and name CB) 5.5 2.5 1.5
assign (segid H and resid 34 and name CB)(segid H and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid H and resid 34 and name CB)(segid H and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid H and resid 27 and name CB)(segid H and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid H and resid 12 and name CG1)(segid H and resid 22 and name CG) 5.5 2.5 1.5
assign (segid H and resid 12 and name CG2)(segid H and resid 22 and name CG) 5.5 2.5 1.5
assign (segid H and resid 12 and name C)(segid H and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid H and resid 12 and name CB)(segid H and resid 20 and name CZ) 5.5 2.5 1.5

!! intra-strand for strand I
assign (segid I and resid 20 and name CZ)(segid I and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid I and resid 20 and name CZ)(segid I and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid I and resid 20 and name CZ)(segid I and resid 18 and name CA) 5.5 2.5 1.5
assign (segid I and resid 20 and name CZ)(segid I and resid 18 and name CB) 5.5 2.5 1.5
assign (segid I and resid 3 and name CD)(segid I and resid 26 and name CA) 5.5 2.5 1.5
assign (segid I and resid 3 and name CD)(segid I and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid I and resid 3 and name CD)(segid I and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid I and resid 23 and name CG)(segid I and resid 28 and name CG) 5.5 2.5 1.5
assign (segid I and resid 23 and name CG)(segid I and resid 28 and name CD) 5.5 2.5 1.5
assign (segid I and resid 2 and name C)(segid I and resid 25 and name CA) 5.5 2.5 1.5
assign (segid I and resid 41 and name P)(segid I and resid 25 and name C) 7.0 0.5 0.5
assign (segid I and resid 41 and name P)(segid I and resid 25 and name CA) 7.0 0.5 0.5
assign (segid I and resid 41 and name P)(segid I and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid I and resid 41 and name P)(segid I and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid I and resid 34 and name CB)(segid I and resid 36 and name CB) 5.5 2.5 1.5
assign (segid I and resid 34 and name CB)(segid I and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid I and resid 34 and name CB)(segid I and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid I and resid 27 and name CB)(segid I and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid I and resid 12 and name CG1)(segid I and resid 22 and name CG) 5.5 2.5 1.5
assign (segid I and resid 12 and name CG2)(segid I and resid 22 and name CG) 5.5 2.5 1.5
assign (segid I and resid 12 and name C)(segid I and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid I and resid 12 and name CB)(segid I and resid 20 and name CZ) 5.5 2.5 1.5


!! intra-strand for strand J
assign (segid J and resid 20 and name CZ)(segid J and resid 18 and name CG1) 5.5 2.5 1.5
assign (segid J and resid 20 and name CZ)(segid J and resid 18 and name CG2) 5.5 2.5 1.5
assign (segid J and resid 20 and name CZ)(segid J and resid 18 and name CA) 5.5 2.5 1.5
assign (segid J and resid 20 and name CZ)(segid J and resid 18 and name CB) 5.5 2.5 1.5
assign (segid J and resid 3 and name CD)(segid J and resid 26 and name CA) 5.5 2.5 1.5
assign (segid J and resid 3 and name CD)(segid J and resid 24 and name CG1) 5.5 2.5 1.5
assign (segid J and resid 3 and name CD)(segid J and resid 24 and name CG2) 5.5 2.5 1.5
assign (segid J and resid 23 and name CG)(segid J and resid 28 and name CG) 5.5 2.5 1.5
assign (segid J and resid 23 and name CG)(segid J and resid 28 and name CD) 5.5 2.5 1.5
assign (segid J and resid 2 and name C)(segid J and resid 25 and name CA) 5.5 2.5 1.5
assign (segid J and resid 41 and name P)(segid J and resid 25 and name C) 7.0 0.5 0.5
assign (segid J and resid 41 and name P)(segid J and resid 25 and name CA) 7.0 0.5 0.5
assign (segid J and resid 41 and name P)(segid J and resid 24 and name CG1) 7.0 0.5 0.5
assign (segid J and resid 41 and name P)(segid J and resid 24 and name CG2) 7.0 0.5 0.5
assign (segid J and resid 34 and name CB)(segid J and resid 36 and name CB) 5.5 2.5 1.5
assign (segid J and resid 34 and name CB)(segid J and resid 36 and name CG1) 5.5 2.5 1.5
assign (segid J and resid 34 and name CB)(segid J and resid 36 and name CG2) 5.5 2.5 1.5
assign (segid J and resid 27 and name CB)(segid J and resid 32 and name CG1) 5.5 2.5 1.5
assign (segid J and resid 12 and name CG1)(segid J and resid 22 and name CG) 5.5 2.5 1.5
assign (segid J and resid 12 and name CG2)(segid J and resid 22 and name CG) 5.5 2.5 1.5
assign (segid J and resid 12 and name C)(segid J and resid 20 and name CZ) 5.5 2.5 1.5
assign (segid J and resid 12 and name CB)(segid J and resid 20 and name CZ) 5.5 2.5 1.5


!! inter-strand for 19-34
assign (segid A and resid 19 and name CZ)(segid B and resid 34 and name CG) 5.5 2.5 1.5
assign (segid A and resid 19 and name CZ)(segid B and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid A and resid 19 and name CZ)(segid B and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid A and resid 19 and name CZ)(segid B and resid 34 and name CB) 5.5 2.5 1.5
assign (segid B and resid 19 and name CZ)(segid C and resid 34 and name CG) 5.5 2.5 1.5
assign (segid B and resid 19 and name CZ)(segid C and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid B and resid 19 and name CZ)(segid C and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid B and resid 19 and name CZ)(segid C and resid 34 and name CB) 5.5 2.5 1.5
assign (segid C and resid 19 and name CZ)(segid D and resid 34 and name CG) 5.5 2.5 1.5
assign (segid C and resid 19 and name CZ)(segid D and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid C and resid 19 and name CZ)(segid D and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid C and resid 19 and name CZ)(segid D and resid 34 and name CB) 5.5 2.5 1.5
assign (segid D and resid 19 and name CZ)(segid E and resid 34 and name CG) 5.5 2.5 1.5
assign (segid D and resid 19 and name CZ)(segid E and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid D and resid 19 and name CZ)(segid E and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid D and resid 19 and name CZ)(segid E and resid 34 and name CB) 5.5 2.5 1.5
assign (segid F and resid 19 and name CZ)(segid G and resid 34 and name CG) 5.5 2.5 1.5
assign (segid F and resid 19 and name CZ)(segid G and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid F and resid 19 and name CZ)(segid G and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid F and resid 19 and name CZ)(segid G and resid 34 and name CB) 5.5 2.5 1.5
assign (segid G and resid 19 and name CZ)(segid H and resid 34 and name CG) 5.5 2.5 1.5
assign (segid G and resid 19 and name CZ)(segid H and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid G and resid 19 and name CZ)(segid H and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid G and resid 19 and name CZ)(segid H and resid 34 and name CB) 5.5 2.5 1.5
assign (segid H and resid 19 and name CZ)(segid I and resid 34 and name CG) 5.5 2.5 1.5
assign (segid H and resid 19 and name CZ)(segid I and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid H and resid 19 and name CZ)(segid I and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid H and resid 19 and name CZ)(segid I and resid 34 and name CB) 5.5 2.5 1.5
assign (segid I and resid 19 and name CZ)(segid J and resid 34 and name CG) 5.5 2.5 1.5
assign (segid I and resid 19 and name CZ)(segid J and resid 34 and name CD1) 5.5 2.5 1.5
assign (segid I and resid 19 and name CZ)(segid J and resid 34 and name CD2) 5.5 2.5 1.5
assign (segid I and resid 19 and name CZ)(segid J and resid 34 and name CB) 5.5 2.5 1.5


!! inter-strand for 21-34
assign (segid A and resid 21 and name CB)(segid B and resid 34 and name CG) 5.5 2.5 1.5
assign (segid B and resid 21 and name CB)(segid C and resid 34 and name CG) 5.5 2.5 1.5
assign (segid C and resid 21 and name CB)(segid D and resid 34 and name CG) 5.5 2.5 1.5
assign (segid D and resid 21 and name CB)(segid E and resid 34 and name CG) 5.5 2.5 1.5
assign (segid F and resid 21 and name CB)(segid G and resid 34 and name CG) 5.5 2.5 1.5
assign (segid G and resid 21 and name CB)(segid H and resid 34 and name CG) 5.5 2.5 1.5
assign (segid H and resid 21 and name CB)(segid I and resid 34 and name CG) 5.5 2.5 1.5
assign (segid I and resid 21 and name CB)(segid J and resid 34 and name CG) 5.5 2.5 1.5

!! inter-strand for 17-38
assign (segid A and resid 17 and name CB)(segid B and resid 38 and name CA) 5.5 2.5 1.5
assign (segid B and resid 17 and name CB)(segid C and resid 38 and name CA) 5.5 2.5 1.5
assign (segid C and resid 17 and name CB)(segid D and resid 38 and name CA) 5.5 2.5 1.5
assign (segid D and resid 17 and name CB)(segid E and resid 38 and name CA) 5.5 2.5 1.5
assign (segid F and resid 17 and name CB)(segid G and resid 38 and name CA) 5.5 2.5 1.5
assign (segid G and resid 17 and name CB)(segid H and resid 38 and name CA) 5.5 2.5 1.5
assign (segid H and resid 17 and name CB)(segid I and resid 38 and name CA) 5.5 2.5 1.5
assign (segid I and resid 17 and name CB)(segid J and resid 38 and name CA) 5.5 2.5 1.5

!! inter-strand side chain at A2, determined by PITHIRDs-CT
assign (segid A and resid 2 and name CB)(segid B and resid 2 and name CB) 7.0 0.5 0.2
assign (segid B and resid 2 and name CB)(segid C and resid 2 and name CB) 7.0 0.5 0.2
assign (segid C and resid 2 and name CB)(segid D and resid 2 and name CB) 7.0 0.5 0.2
assign (segid D and resid 2 and name CB)(segid E and resid 2 and name CB) 7.0 0.5 0.2
assign (segid F and resid 2 and name CB)(segid G and resid 2 and name CB) 7.0 0.5 0.2
assign (segid G and resid 2 and name CB)(segid H and resid 2 and name CB) 7.0 0.5 0.2
assign (segid H and resid 2 and name CB)(segid I and resid 2 and name CB) 7.0 0.5 0.2
assign (segid I and resid 2 and name CB)(segid J and resid 2 and name CB) 7.0 0.5 0.2


!! inter-strand backbone and side chain at V12 V18 A21 V24 A30 G33 and V39

assign (segid A and resid 9 and name CA)(segid B and resid 9 and name CA) 5.3 0.6 0.2
assign (segid B and resid 9 and name CA)(segid C and resid 9 and name CA) 5.3 0.6 0.2
assign (segid C and resid 9 and name CA)(segid D and resid 9 and name CA) 5.3 0.6 0.2
assign (segid D and resid 9 and name CA)(segid E and resid 9 and name CA) 5.3 0.6 0.2

assign (segid A and resid 12 and name C)(segid B and resid 12 and name C) 5.3 0.6 0.2
assign (segid B and resid 12 and name C)(segid C and resid 12 and name C) 5.3 0.6 0.2
assign (segid C and resid 12 and name C)(segid D and resid 12 and name C) 5.3 0.6 0.2
assign (segid D and resid 12 and name C)(segid E and resid 12 and name C) 5.3 0.6 0.2

assign (segid A and resid 18 and name C)(segid B and resid 18 and name C) 5.3 0.6 0.2
assign (segid B and resid 18 and name C)(segid C and resid 18 and name C) 5.3 0.6 0.2
assign (segid C and resid 18 and name C)(segid D and resid 18 and name C) 5.3 0.6 0.2
assign (segid D and resid 18 and name C)(segid E and resid 18 and name C) 5.3 0.6 0.2

assign (segid A and resid 21 and name CB)(segid B and resid 21 and name CB) 5.3 0.6 0.2
assign (segid B and resid 21 and name CB)(segid C and resid 21 and name CB) 5.3 0.6 0.2
assign (segid C and resid 21 and name CB)(segid D and resid 21 and name CB) 5.3 0.6 0.2
assign (segid D and resid 21 and name CB)(segid E and resid 21 and name CB) 5.3 0.6 0.2

assign (segid A and resid 24 and name C)(segid B and resid 24 and name C) 5.3 0.6 0.2
assign (segid B and resid 24 and name C)(segid C and resid 24 and name C) 5.3 0.6 0.2
assign (segid C and resid 24 and name C)(segid D and resid 24 and name C) 5.3 0.6 0.2
assign (segid D and resid 24 and name C)(segid E and resid 24 and name C) 5.3 0.6 0.2

assign (segid A and resid 30 and name CB)(segid B and resid 30 and name CB) 5.3 0.6 0.2
assign (segid B and resid 30 and name CB)(segid C and resid 30 and name CB) 5.3 0.6 0.2
assign (segid C and resid 30 and name CB)(segid D and resid 30 and name CB) 5.3 0.6 0.2
assign (segid D and resid 30 and name CB)(segid E and resid 30 and name CB) 5.3 0.6 0.2

assign (segid A and resid 33 and name CA)(segid B and resid 33 and name CA) 5.3 0.6 0.2
assign (segid B and resid 33 and name CA)(segid C and resid 33 and name CA) 5.3 0.6 0.2
assign (segid C and resid 33 and name CA)(segid D and resid 33 and name CA) 5.3 0.6 0.2
assign (segid D and resid 33 and name CA)(segid E and resid 33 and name CA) 5.3 0.6 0.2

assign (segid A and resid 36 and name CA)(segid B and resid 36 and name CA) 5.3 0.6 0.2
assign (segid B and resid 36 and name CA)(segid C and resid 36 and name CA) 5.3 0.6 0.2
assign (segid C and resid 36 and name CA)(segid D and resid 36 and name CA) 5.3 0.6 0.2
assign (segid D and resid 36 and name CA)(segid E and resid 36 and name CA) 5.3 0.6 0.2

assign (segid A and resid 38 and name CA)(segid B and resid 38 and name CA) 5.3 0.6 0.2
assign (segid B and resid 38 and name CA)(segid C and resid 38 and name CA) 5.3 0.6 0.2
assign (segid C and resid 38 and name CA)(segid D and resid 38 and name CA) 5.3 0.6 0.2
assign (segid D and resid 38 and name CA)(segid E and resid 38 and name CA) 5.3 0.6 0.2

assign (segid A and resid 39 and name C)(segid B and resid 39 and name C) 5.3 0.6 0.2
assign (segid B and resid 39 and name C)(segid C and resid 39 and name C) 5.3 0.6 0.2
assign (segid C and resid 39 and name C)(segid D and resid 39 and name C) 5.3 0.6 0.2
assign (segid D and resid 39 and name C)(segid E and resid 39 and name C) 5.3 0.6 0.2

assign (segid F and resid 9 and name CA)(segid G and resid 9 and name CA) 5.3 0.6 0.2
assign (segid G and resid 9 and name CA)(segid H and resid 9 and name CA) 5.3 0.6 0.2
assign (segid H and resid 9 and name CA)(segid I and resid 9 and name CA) 5.3 0.6 0.2
assign (segid I and resid 9 and name CA)(segid J and resid 9 and name CA) 5.3 0.6 0.2

assign (segid F and resid 12 and name C)(segid G and resid 12 and name C) 5.3 0.6 0.2
assign (segid G and resid 12 and name C)(segid H and resid 12 and name C) 5.3 0.6 0.2
assign (segid H and resid 12 and name C)(segid I and resid 12 and name C) 5.3 0.6 0.2
assign (segid I and resid 12 and name C)(segid J and resid 12 and name C) 5.3 0.6 0.2

assign (segid F and resid 18 and name C)(segid G and resid 18 and name C) 5.3 0.6 0.2
assign (segid G and resid 18 and name C)(segid H and resid 18 and name C) 5.3 0.6 0.2
assign (segid H and resid 18 and name C)(segid I and resid 18 and name C) 5.3 0.6 0.2
assign (segid I and resid 18 and name C)(segid J and resid 18 and name C) 5.3 0.6 0.2

assign (segid F and resid 21 and name CB)(segid G and resid 21 and name CB) 5.3 0.6 0.2
assign (segid G and resid 21 and name CB)(segid H and resid 21 and name CB) 5.3 0.6 0.2
assign (segid H and resid 21 and name CB)(segid I and resid 21 and name CB) 5.3 0.6 0.2
assign (segid I and resid 21 and name CB)(segid J and resid 21 and name CB) 5.3 0.6 0.2

assign (segid F and resid 24 and name C)(segid G and resid 24 and name C) 5.3 0.6 0.2
assign (segid G and resid 24 and name C)(segid H and resid 24 and name C) 5.3 0.6 0.2
assign (segid H and resid 24 and name C)(segid I and resid 24 and name C) 5.3 0.6 0.2
assign (segid I and resid 24 and name C)(segid J and resid 24 and name C) 5.3 0.6 0.2

assign (segid F and resid 30 and name CB)(segid G and resid 30 and name CB) 5.3 0.6 0.2
assign (segid G and resid 30 and name CB)(segid H and resid 30 and name CB) 5.3 0.6 0.2
assign (segid H and resid 30 and name CB)(segid I and resid 30 and name CB) 5.3 0.6 0.2
assign (segid I and resid 30 and name CB)(segid J and resid 30 and name CB) 5.3 0.6 0.2

assign (segid F and resid 33 and name CA)(segid G and resid 33 and name CA) 5.3 0.6 0.2
assign (segid G and resid 33 and name CA)(segid H and resid 33 and name CA) 5.3 0.6 0.2
assign (segid H and resid 33 and name CA)(segid I and resid 33 and name CA) 5.3 0.6 0.2
assign (segid I and resid 33 and name CA)(segid J and resid 33 and name CA) 5.3 0.6 0.2

assign (segid F and resid 36 and name CA)(segid G and resid 36 and name CA) 5.3 0.6 0.2
assign (segid G and resid 36 and name CA)(segid H and resid 36 and name CA) 5.3 0.6 0.2
assign (segid H and resid 36 and name CA)(segid I and resid 36 and name CA) 5.3 0.6 0.2
assign (segid I and resid 36 and name CA)(segid J and resid 36 and name CA) 5.3 0.6 0.2

assign (segid F and resid 38 and name CA)(segid G and resid 38 and name CA) 5.3 0.6 0.2
assign (segid G and resid 38 and name CA)(segid H and resid 38 and name CA) 5.3 0.6 0.2
assign (segid H and resid 38 and name CA)(segid I and resid 38 and name CA) 5.3 0.6 0.2
assign (segid I and resid 38 and name CA)(segid J and resid 38 and name CA) 5.3 0.6 0.2

assign (segid F and resid 39 and name C)(segid G and resid 39 and name C) 5.3 0.6 0.2
assign (segid G and resid 39 and name C)(segid H and resid 39 and name C) 5.3 0.6 0.2
assign (segid H and resid 39 and name C)(segid I and resid 39 and name C) 5.3 0.6 0.2
assign (segid I and resid 39 and name C)(segid J and resid 39 and name C) 5.3 0.6 0.2

!! inter-strand side chain at 31P-SER8, determined by 31P-PITHIRDs-CT
assign (segid A and resid 41 and name P)(segid B and resid 41 and name P) 6.8 0.3 0.2
assign (segid B and resid 41 and name P)(segid C and resid 41 and name P) 6.8 0.3 0.2
assign (segid C and resid 41 and name P)(segid D and resid 41 and name P) 6.8 0.3 0.2
assign (segid D and resid 41 and name P)(segid E and resid 41 and name P) 6.8 0.3 0.2
assign (segid F and resid 41 and name P)(segid G and resid 41 and name P) 6.8 0.3 0.2
assign (segid G and resid 41 and name P)(segid H and resid 41 and name P) 6.8 0.3 0.2
assign (segid H and resid 41 and name P)(segid I and resid 41 and name P) 6.8 0.3 0.2
assign (segid I and resid 41 and name P)(segid J and resid 41 and name P) 6.8 0.3 0.2

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