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
524412 2lir RC 17903 cing 1-original 1 XPLOR/CNS distance NOE ambi


! Y97NH-L98NH  109316 2.8A  Y97HA-Y98NH   58398 3.3A

!THR-5

!GLU-4

!PHE-3

!intra
assign (resid -3 and name HA) (resid -3 and name HN) 1.8 0.0 1.1


assign (resid -3 and name HB1) (resid -3 and name HN) 1.8 0.0 3.2
assign (resid -3 and name HB2) (resid -3 and name HN) 1.8 0.0 3.2

assign (resid -3 and name HB1) (resid -3 and name HD#) 1.8 0.0 1.1
assign (resid -3 and name HB2) (resid -3 and name HD#) 1.8 0.0 1.1

assign (resid -3 and name HA) (resid -3 and name HD#) 1.8 0.0 3.2

assign (resid -3 and name HB1) (resid -3 and name HE#) 1.8 0.0 3.2
assign (resid -3 and name HB2) (resid -3 and name HE#) 1.8 0.0 3.2

assign (resid -3 and name HB1) (resid -3 and name HZ) 1.8 0.0 4.2
assign (resid -3 and name HB2) (resid -3 and name HZ) 1.8 0.0 4.2


assign (resid -3 and name HB1) (resid -3 and name HA) 1.8 0.0 1.1     !0609
assign (resid -3 and name HB2) (resid -3 and name HA) 1.8 0.0 1.1     !0609

assign (resid -3 and name HD#) (resid -3 and name HE#) 1.8 0.0 3.2    !0609
assign (resid -3 and name HZ) (resid -3 and name HE#) 1.8 0.0 3.2     !0609
assign (resid -3 and name HZ) (resid -3 and name HD#) 1.8 0.0 3.2     !0609     

!inter
assign (resid -3 and name HA) (resid -2 and name HN) 1.8 0.0 3.2

assign (resid -3 and name HB1) (resid -2 and name HN) 1.8 0.0 3.2
assign (resid -3 and name HB2) (resid -2 and name HN) 1.8 0.0 3.2

assign (resid -3 and name HB#) (resid 65 and name HB#) 1.8 0.0 3.2 


assign (resid -3 and name HD#) (resid 61 and name HB1) 1.8 0.0 3.2  
assign (resid -3 and name HD#) (resid 61 and name HB2) 1.8 0.0 3.2 

assign (resid -3 and name HD#) (resid 61 and name HG#) 1.8 0.0 3.2  




assign (resid -3 and name HD#) (resid 95 and name HB) 1.8 0.0 3.2

assign (resid -3 and name HD#) (resid 95 and name HG2#) 1.8 0.0 3.2

assign (resid -3 and name HD#) (resid 95 and name HD1#) 1.8 0.0 3.2 


assign (resid -3 and name HE#) (resid 95 and name HB) 1.8 0.0 3.2

assign (resid -3 and name HE#) (resid 95 and name HG2#) 1.8 0.0 3.2

assign (resid -3 and name HE#) (resid 95 and name HD1#) 1.8 0.0 3.2 


assign (resid -3 and name HZ) (resid -1 and name HB#) 1.8 0.0 3.2

assign (resid -3 and name HZ) (resid 95 and name HB) 1.8 0.0 3.2

assign (resid -3 and name HZ) (resid 95 and name HG2#) 1.8 0.0 3.2

assign (resid -3 and name HZ) (resid 96 and name HG2#) 1.8 0.0 3.2

assign (resid -3 and name HZ) (resid 96 and name HA) 1.8 0.0 3.2




!LYS-2

!intra
assign (resid -2 and name HA) (resid -2 and name HN) 1.8 0.0 1.1

assign (resid -2 and name HD#) (resid -2 and name HN) 1.8 0.0 3.2

assign (resid -2 and name HB#) (resid -2 and name HN) 1.8 0.0 1.7

assign (resid -2 and name HG#) (resid -2 and name HN) 1.8 0.0 3.2

assign (resid -2 and name HA) (resid -2 and name HB#) 1.8 0.0 1.1

assign (resid -2 and name HA) (resid -2 and name HG#) 1.8 0.0 1.1
assign (resid -2 and name HA) (resid -2 and name HD#) 1.8 0.0 1.1
assign (resid -2 and name HB#) (resid -2 and name HG#) 1.8 0.0 1.1    !0609

!inter

assign (resid -2 and name HA) (resid -1 and name HN) 1.8 0.0 1.7

assign (resid -2 and name HB#) (resid 92 and name HD21) 1.8 0.0 3.2
assign (resid -2 and name HB#) (resid 92 and name HD22) 1.8 0.0 3.2

assign (resid -2 and name HG#) (resid 92 and name HD2#) 1.8 0.0 1.7






!ALA-1

!intra
assign (resid -1 and name HB#) (resid -1 and name HN) 1.8 0.0 1.1

assign (resid -1 and name HA) (resid -1 and name HN) 1.8 0.0 1.1

assign (resid -1 and name HA) (resid -1 and name HB#) 1.8 0.0 1.1

!inter

assign (resid -1 and name HB#) (resid -3 and name HZ) 1.8 0.0 4.2


assign (resid -1 and name HB#) (resid 1 and name HN) 1.8 0.0 1.7

assign (resid -1 and name HB#) (resid 92 and name HD2#) 1.8 0.0 3.2

assign (resid -1 and name HA) (resid 1 and name HN) 1.8 0.0 1.7










!GLY1

!intra

assign (resid 1 and name HA1) (resid 1 and name HN) 1.8 0.0 1.1

assign (resid 1 and name HA2) (resid 1 and name HN) 1.8 0.0 1.1


!inter

assign (resid 1 and name HN) (resid 96 and name HG2#) 1.8 0.0 3.2

assign (resid 1 and name HN) (resid 2 and name HN) 1.8 0.0 3.2

assign (resid 1 and name HA#) (resid 2 and name HN) 1.8 0.0 3.2

assign (resid 1 and name HA#) (resid 92 and name HB1) 1.8 0.0 3.2
assign (resid 1 and name HA#) (resid 92 and name HB2) 1.8 0.0 3.2

assign (resid 1 and name HA#) (resid 96 and name HG2#) 1.8 0.0 3.2






!SER2

!intra

assign (resid 2 and name HA) (resid 2 and name HN) 1.8 0.0 1.1

assign (resid 2 and name HG) (resid 2 and name HN) 1.8 0.0 3.2

assign (resid 2 and name HA) (resid 2 and name HN) 1.8 0.0 1.1

assign (resid 2 and name HB1) (resid 2 and name HN) 1.8 0.0 3.2
assign (resid 2 and name HB2) (resid 2 and name HN) 1.8 0.0 3.2

assign (resid 2 and name HA) (resid 2 and name HB1) 1.8 0.0 1.1  !new
assign (resid 2 and name HA) (resid 2 and name HB2) 1.8 0.0 1.1  !new

!inter

assign (resid 2 and name HN) (resid 3 and name HB#) 1.8 0.0 3.2  !new

assign (resid 2 and name HN) (resid 3 and name HN) 1.8 0.0 3.2

assign (resid 2 and name HN) (resid 93 and (name HB1 or name HB2)) 1.8 0.0 3.2  !new

assign (resid 2 and name HN) (resid 93 and name HA) 1.8 0.0 3.2 !new


assign (resid 2 and name HB#) (resid 3 and name HN) 1.8 0.0 3.2

assign (resid 2 and name HN) (resid 92 and (name HB1 or name HB2)) 1.8 0.0 3.2  !0609

assign (resid 2 and name HN) (resid 4 and (name HE1 or name HE2)) 1.8 0.0 3.2  !0609



!ALA3

!intra

assign (resid 3 and name HB#) (resid 3 and name HN) 1.8 0.0 1.1

assign (resid 3 and name HA) (resid 3 and name HN) 1.8 0.0 1.1

!assign (resid 3 and name HA) (resid 3 and name HN) 1.8 0.0 3.2

!inter

! assign (resid 3 and name HA) (resid 2 and name HN) 1.8 0.0 3.2

assign (resid 3 and name HA) (resid 4 and name HN) 1.8 0.0 1.7

assign (resid 3 and name HA) (resid 5 and name HN) 1.8 0.0 3.2 

assign (resid 3 and name HA) (resid 6 and name HN) 1.8 0.0 3.2 

assign (resid 3 and name HA) (resid 7 and name HN) 1.8 0.0 4.2 

assign (resid 3 and name HN) (resid 4 and name HN) 1.8 0.0 3.2 

assign (resid 3 and name HN) (resid 5 and name HN) 1.8 0.0 3.2 

assign (resid 3 and name HA) (resid 96 and name HG2#) 1.8 0.0 3.2

assign (resid 3 and name HA) (resid 97 and name HB1) 1.8 0.0 3.2
assign (resid 3 and name HA) (resid 97 and name HB2) 1.8 0.0 3.2

assign (resid 3 and name HB#) (resid 4 and name HN) 1.8 0.0 1.7 



!LYS4

!intra

assign (resid 4 and name HG#) (resid 4 and name HN) 1.8 0.0 1.1   !0609


assign (resid 4 and name HB#) (resid 4 and name HN) 1.8 0.0 1.1   !0609

assign (resid 4 and name HE1) (resid 4 and name HN) 1.8 0.0 1.1
assign (resid 4 and name HE2) (resid 4 and name HN) 1.8 0.0 1.1


!inter



assign (resid 4 and name HN) (resid 5 and name HN) 1.8 0.0 1.7 

assign (resid 4 and name HA) (resid 5 and name HN) 1.8 0.0 3.2     !0609
assign (resid 4 and name HB#) (resid 5 and name HN) 1.8 0.0 3.2     !0609


assign (resid 4 and name HN) (resid 6 and name HN) 1.8 0.0 3.2 





!LYS5

!intra
assign (resid 5 and name HA) (resid 5 and name HN) 1.8 0.0 1.1

assign (resid 5 and name HB1) (resid 5 and name HN) 1.8 0.0 1.7
assign (resid 5 and name HB2) (resid 5 and name HN) 1.8 0.0 1.7

assign (resid 5 and name HB1) (resid 5 and name HA) 1.8 0.0 1.1   !0609
assign (resid 5 and name HB2) (resid 5 and name HA) 1.8 0.0 1.1    !0609  

assign (resid 5 and name HG#) (resid 5 and name HN) 1.8 0.0 1.1

!inter

assign (resid 5 and name HA) (resid 6 and name HN) 1.8 0.0 1.7

assign (resid 5 and name HA) (resid 7 and name HN) 1.8 0.0 3.2  

assign (resid 5 and name HA) (resid 8 and name HN) 1.8 0.0 3.2  

assign (resid 5 and name HA) (resid 9 and name HN) 1.8 0.0 3.2  

assign (resid 5 and name HB1) (resid 6 and name HN) 1.8 0.0 3.2
assign (resid 5 and name HB2) (resid 6 and name HN) 1.8 0.0 3.2

assign (resid 5 and name HN) (resid 6 and name HN) 1.8 0.0 3.2

assign (resid 5 and name HN) (resid 7 and name HN) 1.8 0.0 3.2  

assign (resid 5 and name HG#) (resid 93 and name HB#) 1.8 0.0 3.2  







!GLY6

!intra

assign (resid 6 and name HA1) (resid 6 and name HN) 1.8 0.0 1.1
assign (resid 6 and name HA2) (resid 6 and name HN) 1.8 0.0 1.1

!inter

assign (resid 6 and name HN) (resid 93 and name HB#) 1.8 0.0 3.2

assign (resid 6 and name HA1) (resid 7 and name HN) 1.8 0.0 1.7
assign (resid 6 and name HA2) (resid 7 and name HN) 1.8 0.0 1.7

assign (resid 6 and name HA#) (resid 8 and name HN) 1.8 0.0 3.2   

assign (resid 6 and name HA#) (resid 9 and name HN) 1.8 0.0 3.2   

assign (resid 6 and name HA1) (resid 9 and name HB#) 1.8 0.0 3.2
assign (resid 6 and name HA2) (resid 9 and name HB#) 1.8 0.0 3.2
                  
assign (resid 6 and name HA1) 
       (resid 9 and (name HD2# or name HD1#)) 1.8 0.0 3.2
assign (resid 6 and name HA2) 
       (resid 9 and (name HD2# or name HD1#)) 1.8 0.0 3.2

assign (resid 6 and name HA#) (resid 10 and name HN) 1.8 0.0 3.2   

assign (resid 6 and name HA1) (resid 93 and name HB#) 1.8 0.0 3.2
assign (resid 6 and name HA2) (resid 93 and name HB#) 1.8 0.0 3.2

assign (resid 6 and name HA#) (resid 94 and name HA) 1.8 0.0 3.2

assign (resid 6 and name HA#) (resid 94 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 6 and name HN) (resid 7 and name HN) 1.8 0.0 1.7  

assign (resid 6 and name HN) (resid 8 and name HN) 1.8 0.0 3.2  












!ALA7

!intra

assign (resid 7 and name HA) (resid 7 and name HB#) 1.8 0.0 1.1

assign (resid 7 and name HA) (resid 7 and name HN) 1.8 0.0 1.1

assign (resid 7 and name HB#) (resid 7 and name HN) 1.8 0.0 1.1

!inter

assign (resid 7 and name HN) (resid 97 and name HB1) 1.8 0.0 3.2  
assign (resid 7 and name HN) (resid 97 and name HB2) 1.8 0.0 3.2  

assign (resid 7 and name HA) (resid 8 and name HN) 1.8 0.0 1.7

assign (resid 7 and name HA) (resid 9 and name HN) 1.8 0.0 3.2  

assign (resid 7 and name HA) (resid 10 and name HB#) 1.8 0.0 3.2

assign (resid 7 and name HA) (resid 10 and name HN) 1.8 0.0 3.2

assign (resid 7 and name HA) (resid 11 and name HN) 1.8 0.0 3.2  

assign (resid 7 and name HB#) (resid 8 and name HA) 1.8 0.0 3.2  ! check !right

assign (resid 7 and name HB#) (resid 8 and name HN) 1.8 0.0 1.1

assign (resid 7 and name HB#) (resid 9 and name HN) 1.8 0.0 3.2  








!THR8

!intra

assign (resid 8 and name HA) (resid 8 and name HN) 1.8 0.0 1.1

assign (resid 8 and name HB) (resid 8 and name HN) 1.8 0.0 1.7

assign (resid 8 and name HG2#) (resid 8 and name HA) 1.8 0.0 1.7

assign (resid 8 and name HG2#) (resid 8 and name HN) 1.8 0.0 1.7

assign (resid 8 and name HB) (resid 8 and name HA) 1.8 0.0 1.1

assign (resid 8 and name HG2#) (resid 8 and name HB) 1.8 0.0 1.7


!inter

assign (resid 8 and name HN) (resid 7 and name HN) 1.8 0.0 1.7 

assign (resid 8 and name HN) (resid 9 and name HN) 1.8 0.0 1.1

assign (resid 8 and name HN) (resid 10 and name HN) 1.8 0.0 3.2  

assign (resid 8 and name HA) (resid 9 and name HN) 1.8 0.0 1.7

assign (resid 8 and name HA) (resid 10 and name HN) 1.8 0.0 3.2

assign (resid 8 and name HA) (resid 11 and name HB1) 1.8 0.0 3.2
assign (resid 8 and name HA) (resid 11 and name HB2) 1.8 0.0 3.2

assign (resid 8 and name HA) (resid 11 and name HG#) 1.8 0.0 3.2

assign (resid 8 and name HA) (resid 11 and name HN) 1.8 0.0 3.2

assign (resid 8 and name HA) (resid 12 and name HN) 1.8 0.0 3.2  

assign (resid 8 and name HB) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 8 and name HB) (resid 11 and name HG#) 1.8 0.0 3.2

!! assign (resid 8 and name HB) (resid 11 and name HN) 1.8 0.0 3.2  ! check

assign (resid 8 and name HB) (resid 12 and name HG2#) 1.8 0.0 3.2

assign (resid 8 and name HG2#) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 8 and name HG2#) (resid 11 and name HN) 1.8 0.0 4.2










!LEU9

!intra

assign (resid 9 and name HA) (resid 9 and name HD1#) 1.8 0.0 3.2
assign (resid 9 and name HA) (resid 9 and name HD2#) 1.8 0.0 3.2

assign (resid 9 and name HA) (resid 9 and name HN) 1.8 0.0 1.1

assign (resid 9 and name HB#) (resid 9 and name HD1#) 1.8 0.0 1.1
assign (resid 9 and name HB#) (resid 9 and name HD2#) 1.8 0.0 1.1

assign (resid 9 and name HB#) (resid 9 and name HN) 1.8 0.0 1.1

assign (resid 9 and name HG) (resid 9 and name HN) 1.8 0.0 3.2

assign (resid 9 and (name HD1# or name HD2#)) (resid 9 and name HN) 1.8 0.0 1.7


!assign (resid 9 and name HA) (resid 9 and name HB#) 1.8 0.0 1.1
!assign (resid 9 and name HB#) (resid 9 and name HG) 1.8 0.0 1.1

assign (resid 9 and name HG) (resid 9 and name HD1#) 1.8 0.0 1.7
assign (resid 9 and name HG) (resid 9 and name HD2#) 1.8 0.0 1.7
assign (resid 9 and name HG) (resid 9 and name HA) 1.8 0.0 1.7    !0609


! inter

assign (resid 9 and name HN) (resid 10 and name HN) 1.8 0.0 1.7

assign (resid 9 and name HN) (resid 11 and name HN) 1.8 0.0 3.2  

assign (resid 9 and name HA) (resid 10 and name HN) 1.8 0.0 1.7  

assign (resid 9 and name HA) (resid 11 and name HN) 1.8 0.0 3.2

assign (resid 9 and name HA) (resid 12 and name HN) 1.8 0.0 3.2  

assign (resid 9 and name HA) (resid 12 and name HB#) 1.8 0.0 3.2  ! not 13hb#

assign (resid 9 and name HA) (resid 13 and name HN) 1.8 0.0 3.2  

assign (resid 9 and name HA) (resid 94 and name HD#) 1.8 0.0 3.2

assign (resid 9 and name HB#) (resid 10 and name HN) 1.8 0.0 1.1

assign (resid 9 and name HB#) (resid 94 and (name HD2# or name HD1#)) 1.8 0.0 1.7

assign (resid 9 and name HD1#) (resid 13 and name HG#) 1.8 0.0 3.2
assign (resid 9 and name HD2#) (resid 13 and name HG#) 1.8 0.0 3.2

assign (resid 9 and name HD#) (resid 85 and name HD1#) 1.8 0.0 3.2  
assign (resid 9 and name HD1#) (resid 85 and name HD2#) 1.8 0.0 3.2
assign (resid 9 and name HD2#) (resid 85 and name HD2#) 1.8 0.0 3.2


! assign (resid 9 and name HD1#) (resid 90 and name HA) 1.8 0.0 3.2  ! check
assign (resid 9 and (name HD2# or name HD1#)) (resid 90 and name HA) 1.8 0.0 3.2  

assign (resid 9 and name HD1#) (resid 94 and name HD#) 1.8 0.0 3.2

assign (resid 9 and name HD1#) (resid 94 and name HD1#) 1.8 0.0 3.2
assign (resid 9 and name HD1#) (resid 94 and name HD2#) 1.8 0.0 3.2
assign (resid 9 and name HD2#) (resid 94 and name HD1#) 1.8 0.0 3.2
assign (resid 9 and name HD2#) (resid 94 and name HD2#) 1.8 0.0 3.2

assign (resid 9 and name HN) (resid 94 and (name HD1# or name HD2#)) 1.8 0.0 3.2   !0609

assign (resid 9 and name HD1#) (resid 90 and name HB1) 1.8 0.0 3.2  ! check
assign (resid 9 and name HD2#) (resid 90 and name HB1) 1.8 0.0 3.2 ! check
assign (resid 9 and name HD1#) (resid 90 and name HB2) 1.8 0.0 3.2
assign (resid 9 and name HD2#) (resid 90 and name HB2) 1.8 0.0 3.2

assign (resid 9 and name HD#) (resid 93 and name HB#) 1.8 0.0 3.2

assign (resid 9 and name HD#) (resid 94 and name HB#) 1.8 0.0 3.2

assign (resid 9 and name HG) (resid 10 and name HN) 1.8 0.0 3.2

assign (resid 9 and name HG) (resid 94 and name HD#) 1.8 0.0 3.2

assign (resid 9 and name HD1#) (resid 10 and name HN) 1.8 0.0 3.2   !0609
assign (resid 9 and name HD2#) (resid 10 and name HN) 1.8 0.0 3.2   !0609








!PHE10

!intra

assign (resid 10 and name HA) (resid 10 and name HN) 1.8 0.0 1.1

assign (resid 10 and name HB1) (resid 10 and name HN) 1.8 0.0 1.7
assign (resid 10 and name HB2) (resid 10 and name HN) 1.8 0.0 1.7

assign (resid 10 and name HB1) (resid 10 and name HD#) 1.8 0.0 1.7
assign (resid 10 and name HB2) (resid 10 and name HD#) 1.8 0.0 1.7

assign (resid 10 and name HE#) (resid 10 and name HD#) 1.8 0.0 1.1   !0609
assign (resid 10 and name HZ) (resid 10 and name HD#) 1.8 0.0 3.2  !0609

assign (resid 10 and name HE#) (resid 10 and name HZ) 1.8 0.0 1.1   !0609
assign (resid 10 and name HB1) (resid 10 and name HB2) 1.8 0.0 1.7  !0609


!inter

assign (resid 10 and name HA) (resid 11 and name HN) 1.8 0.0 3.2

assign (resid 10 and name HA) (resid 12 and name HN) 1.8 0.0 3.2

assign (resid 10 and name HA) (resid 13 and name HN) 1.8 0.0 3.2  

assign (resid 10 and name HA) (resid 13 and name HB#) 1.8 0.0 3.2

assign (resid 10 and name HA) (resid 14 and name HN) 1.8 0.0 3.2

assign (resid 10 and name HA) (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 10 and name HA) (resid 94 and name HD#) 1.8 0.0 3.2


assign (resid 10 and name HB#) (resid 11 and name HN) 1.8 0.0 1.1

assign (resid 10 and name HB1) (resid 94 and name HD1#) 1.8 0.0 4.2 ! check
assign (resid 10 and name HB1) (resid 94 and name HD2#) 1.8 0.0 4.2    !0609

assign (resid 10 and name HB2) (resid 94 and name HD1#) 1.8 0.0 3.2   !0609
assign (resid 10 and name HB2) (resid 94 and name HD2#) 1.8 0.0 3.2     !0609

assign (resid 10 and name HB#) (resid 11 and name HN) 1.8 0.0 1.1

assign (resid 10 and name HB#) (resid 97 and name HE#) 1.8 0.0 3.2

! assign (resid 10 and name HB1) (resid 97 and name HN) 1.8 0.0 3.2 ! check
assign (resid 10 and name HB#) (resid 97 and name HN) 1.8 0.0 4.2

assign (resid 10 and name HB#) (resid 98 and name HD1#) 1.8 0.0 3.2
assign (resid 10 and name HB#) (resid 98 and name HD2#) 1.8 0.0 3.2


assign (resid 10 and name HD#) (resid 11 and name HN) 1.8 0.0 3.2

assign (resid 10 and name HD#) (resid 11 and name HA) 1.8 0.0 3.2

assign (resid 10 and name HD#) (resid 14 and name HB#) 1.8 0.0 3.2

assign (resid 10 and name HD#) (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 10 and name HD#) (resid 15 and name HA) 1.8 0.0 3.2

assign (resid 10 and name HD#) (resid 15 and name HB1) 1.8 0.0 3.2
assign (resid 10 and name HD#) (resid 15 and name HB2) 1.8 0.0 3.2

assign (resid 10 and name HD#) (resid 15 and name HD1#) 1.8 0.0 3.2
assign (resid 10 and name HD#) (resid 15 and name HD2#) 1.8 0.0 3.2

assign (resid 10 and name HD#) (resid 94 and name HD#) 1.8 0.0 3.2

assign (resid 10 and name HD#) (resid 98 and name HD1#) 1.8 0.0 3.2
assign (resid 10 and name HD#) (resid 98 and name HD2#) 1.8 0.0 3.2

assign (resid 10 and (name HB1 or name HB2)) (resid 20 and name HG#) 1.8 0.0 3.2  !0609


assign (resid 10 and name HE#) (resid 15 and name HB#) 1.8 0.0 3.2

assign (resid 10 and name HE#) (resid 19 and name HA) 1.8 0.0 3.2  ! new

assign (resid 10 and name HE#) (resid 19 and name HG2#) 1.8 0.0 3.2  ! new

! assign (resid 10 and name HE#) (resid 19 and (name HD1# or name HD2#)) 1.8 0.0 3.2  

assign (resid 10 and name HE#) (resid 20 and name HG#) 1.8 0.0 3.2

assign (resid 10 and name HE#) (resid 32 and name HD#) 1.8 0.0 3.2

assign (resid 10 and name HE#) (resid 98 and name HD1#) 1.8 0.0 3.2
assign (resid 10 and name HE#) (resid 98 and name HD2#) 1.8 0.0 3.2




assign (resid 10 and name HZ) (resid 14 and name HB#) 1.8 0.0 3.2

assign (resid 10 and name HZ) (resid 15 and name HD#) 1.8 0.0 3.2

assign (resid 10 and name HZ) (resid 18 and name HB#) 1.8 0.0 3.2 

assign (resid 10 and name HZ) (resid 19 and name HA) 1.8 0.0 3.2  

assign (resid 10 and name HZ) (resid 19 and name HB) 1.8 0.0 4.2  ! new

assign (resid 10 and name HZ) (resid 20 and name HA) 1.8 0.0 3.2 

assign (resid 10 and name HZ) (resid 20 and name HB) 1.8 0.0 3.2  

assign (resid 10 and name HZ) (resid 20 and (name HG2# or name HG1#)) 1.8 0.0 3.2

assign (resid 10 and name HN) (resid 12 and name HN) 1.8 0.0 3.2  






!LYS11

!intra

assign (resid 11 and name HB1) (resid 11 and name HG#) 1.8 0.0 1.7
assign (resid 11 and name HB2) (resid 11 and name HG#) 1.8 0.0 1.7

assign (resid 11 and name HB1) (resid 11 and name HN) 1.8 0.0 1.7
assign (resid 11 and name HB2) (resid 11 and name HN) 1.8 0.0 1.7

assign (resid 11 and name HG#) (resid 11 and name HN) 1.8 0.0 1.1

assign (resid 11 and name HA) (resid 11 and name HG#) 1.8 0.0 1.7
assign (resid 11 and name HA) (resid 11 and name HB2) 1.8 0.0 1.7

assign (resid 11 and name HA) (resid 11 and name HN) 1.8 0.0 3.2


!inter

assign (resid 11 and name HN) (resid 10 and name HN) 1.8 0.0 1.1

assign (resid 11 and name HN) (resid 13 and name HN) 1.8 0.0 3.2  

assign (resid 11 and name HA) (resid 12 and name HN) 1.8 0.0 1.7

assign (resid 11 and name HA) (resid 13 and name HN) 1.8 0.0 3.2 

assign (resid 11 and name HA) (resid 14 and name HN) 1.8 0.0 3.2 

assign (resid 11 and name HA) (resid 14 and name HB#) 1.8 0.0 3.2 

assign (resid 11 and name HA) (resid 15 and name HD1#) 1.8 0.0 3.2
assign (resid 11 and name HA) (resid 15 and name HD2#) 1.8 0.0 3.2

assign (resid 11 and name HA) (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 15 and name HB#) 1.8 0.0 3.2

assign (resid 11 and name HG#) (resid 15 and (name HD1# or name HD2#)) 1.8 0.0 4.2







!THR12

!intra

assign (resid 12 and name HA) (resid 12 and name HN) 1.8 0.0 3.2

assign (resid 12 and name HB) (resid 12 and name HN) 1.8 0.0 1.7

assign (resid 12 and name HB) (resid 12 and name HA) 1.8 0.0 1.7

assign (resid 12 and name HG2#) (resid 12 and name HA) 1.8 0.0 1.7

assign (resid 12 and name HG2#) (resid 12 and name HN) 1.8 0.0 3.2
assign (resid 12 and name HG2#) (resid 12 and name HB) 1.8 0.0 1.1    !0609


!inter

assign (resid 12 and name HN) (resid 11 and name HN) 1.8 0.0 1.1

assign (resid 12 and name HN) (resid 13 and name HN) 1.8 0.0 1.1

assign (resid 12 and name HN) (resid 14 and name HN) 1.8 0.0 3.2 


assign (resid 12 and name HA) (resid 13 and name HN) 1.8 0.0 1.7

assign (resid 12 and name HA) (resid 14 and name HN) 1.8 0.0 4.2  

assign (resid 12 and name HB) (resid 13 and name HN) 1.8 0.0 3.2








!ARG13

!intra

assign (resid 13 and name HA) (resid 13 and name HN) 1.8 0.0 3.2

assign (resid 13 and name HB1) (resid 13 and name HN) 1.8 0.0 3.2
assign (resid 13 and name HB2) (resid 13 and name HN) 1.8 0.0 1.7

assign (resid 13 and name HG#) (resid 13 and name HA) 1.8 0.0 1.7

assign (resid 13 and name HG1) (resid 13 and name HN) 1.8 0.0 3.2
assign (resid 13 and name HG2) (resid 13 and name HN) 1.8 0.0 3.2

!inter


assign (resid 13 and name HB2) (resid 14 and name HN) 1.8 0.0 1.1
assign (resid 13 and name HB1) (resid 14 and name HN) 1.8 0.0 1.7

assign (resid 13 and name HB2) (resid 82 and name HE#) 1.8 0.0 3.2
assign (resid 13 and name HB1) (resid 82 and name HE#) 1.8 0.0 3.2

assign (resid 13 and name HB2) (resid 82 and name HZ) 1.8 0.0 4.2
assign (resid 13 and name HB1) (resid 82 and name HZ) 1.8 0.0 4.2

assign (resid 13 and name HA) (resid 104 and name HAB) 1.8 0.0 3.2

assign (resid 13 and name HB2) (resid 104 and name HAB) 1.8 0.0 3.2
assign (resid 13 and name HB1) (resid 104 and name HAB) 1.8 0.0 3.2

assign (resid 13 and name HB2) (resid 104 and name HBB#) 1.8 0.0 3.2
assign (resid 13 and name HB1) (resid 104 and name HBB#) 1.8 0.0 3.2

assign (resid 13 and name HB2) (resid 104 and name HC) 1.8 0.0 3.2
assign (resid 13 and name HB1) (resid 104 and name HC) 1.8 0.0 3.2





!CYSS14

!intra

assign (resid 14 and name HA) (resid 14 and name HB1) 1.8 0.0 1.1
assign (resid 14 and name HA) (resid 14 and name HB2) 1.8 0.0 1.1

assign (resid 14 and name HA) (resid 14 and name HN) 1.8 0.0 1.1

assign (resid 14 and name HB#) (resid 14 and name HN) 1.8 0.0 3.2

!inter

assign (resid 14 and name HA) (resid 15 and name HN) 1.8 0.0 1.7

assign (resid 14 and name HA) (resid 104 and name HAB) 1.8 0.0 1.7

assign (resid 14 and name HA) (resid 104 and name HMC#) 1.8 0.0 1.7   !0609

assign (resid 14 and name HB1) (resid 15 and name HN) 1.8 0.0 3.2
assign (resid 14 and name HB2) (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 14 and name HN) (resid 13 and name HN) 1.8 0.0 1.1

assign (resid 14 and name HB1) (resid 104 and name HC) 1.8 0.0 3.2
assign (resid 14 and name HB2) (resid 104 and name HC) 1.8 0.0 3.2

assign (resid 14 and name HB1) (resid 104 and name HBB#) 1.8 0.0 3.2  !0609
assign (resid 14 and name HB2) (resid 104 and name HBB#) 1.8 0.0 3.2  !0609





!LEU15

!intra

assign (resid 15 and name HA) (resid 15 and name HN) 1.8 0.0 1.7

assign (resid 15 and name HB1) (resid 15 and name HN) 1.8 0.0 3.2
assign (resid 15 and name HB2) (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 15 and name HD1#) (resid 15 and name HN) 1.8 0.0 3.2
assign (resid 15 and name HD2#) (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 15 and name HD1#) (resid 15 and name HA) 1.8 0.0 3.2
assign (resid 15 and name HD2#) (resid 15 and name HA) 1.8 0.0 3.2

assign (resid 15 and name HB2) (resid 15 and (name HD1# or name HD2#)) 1.8 0.0 1.7
assign (resid 15 and name HB1) (resid 15 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 15 and name HG) (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 15 and name HA) (resid 15 and name HB1) 1.8 0.0 1.7   !0609
assign (resid 15 and name HA) (resid 15 and name HB2) 1.8 0.0 1.7   !0609
assign (resid 15 and name HB1) (resid 15 and name HB2) 1.8 0.0 1.7   !0609


assign (resid 15 and name HG) (resid 15 and name HD1#) 1.8 0.0 1.7



!inter

assign (resid 15 and name HN) (resid 14 and name HN) 1.8 0.0 3.2

assign (resid 15 and name HN) (resid 17 and name HN) 1.8 0.0 3.2   

assign (resid 15 and name HA) (resid 16 and name HN) 1.8 0.0 3.2  

assign (resid 15 and name HA) (resid 17 and name HN) 1.8 0.0 3.2

!assign (resid 15 and name HA) (resid 18 and name HN) 1.8 0.0 3.2 

!assign (resid 15 and name HA) (resid 18 and name HB#) 1.8 0.0 4.2  

assign (resid 15 and name HB#) (resid 16 and name HN) 1.8 0.0 1.1

assign (resid 15 and name HG) (resid 19 and name HA) 1.8 0.0 3.2

! assign (resid 15 and (name HD2# or name HD1#)) (resid 32 and name HN) 1.8 0.0 4.2

assign (resid 15 and (name HD2# or name HD1#)) (resid 14 and name HN) 1.8 0.0 4.2 !new

assign (resid 15 and (name HD2# or name HD1#)) (resid 19 and name HG2#) 1.8 0.0 1.7 !new

assign (resid 15 and (name HD2# or name HD1#)) (resid 19 and name HA) 1.8 0.0 3.2 !new

assign (resid 15 and (name HD2# or name HD1#)) (resid 19 and name HB) 1.8 0.0 3.2 !new

!assign (resid 15 and (name HB1 or name HB2)) (resid 104 and name HMC#) 1.8 0.0 4.2 !0609

assign (resid 15 and name HD2#) (resid 16 and (name HG1 or name HG2)) 1.8 0.0 4.2  !0609

assign (resid 15 and name HD1#) (resid 16 and (name HG1 or name HG2)) 1.8 0.0 4.2  !0609


!GLN16

!intra

assign (resid 16 and name HB#) (resid 16 and name HN) 1.8 0.0 1.7

assign (resid 16 and name HG#) (resid 16 and name HN) 1.8 0.0 3.2

!inter

assign (resid 16 and name HN) (resid 15 and name HN) 1.8 0.0 3.2

assign (resid 16 and name HA) (resid 17 and name HN) 1.8 0.0 3.2

assign (resid 16 and name HB#) (resid 17 and name HN) 1.8 0.0 3.2

assign (resid 16 and name HG#) (resid 17 and name HN) 1.8 0.0 3.2








!CYSS17

!intra

assign (resid 17 and name HA) (resid 17 and name HN) 1.8 0.0 3.2



!inter

assign (resid 17 and name HA) (resid 29 and name HN) 1.8 0.0 3.2

assign (resid 17 and name HA) (resid 18 and name HN) 1.8 0.0 1.7
assign (resid 17 and name HB1) (resid 18 and name HN) 1.8 0.0 1.7  !0609
assign (resid 17 and name HB2) (resid 18 and name HN) 1.8 0.0 1.7  !0609

assign (resid 17 and name HB#) (resid 18 and name HB#) 1.8 0.0 3.2

assign (resid 17 and name HB#) (resid 104 and name HMC#) 1.8 0.0 3.2

assign (resid 17 and name HB#) (resid 28 and name HN) 1.8 0.0 3.2

assign (resid 17 and name HB#) (resid 28 and name HB) 1.8 0.0 3.2

assign (resid 17 and name HB#) (resid 28 and name HG#) 1.8 0.0 3.2

assign (resid 17 and name HB1) (resid 29 and name HN) 1.8 0.0 4.2
assign (resid 17 and name HB2) (resid 29 and name HN) 1.8 0.0 4.2

assign (resid 17 and name HN) (resid 13 and (name HB1 or name HB2)) 1.8 0.0 4.2 !0609

assign (resid 17 and name HA) (resid 19 and name HN) 1.8 0.0 4.5  !0609

!HIS18

!intra

assign (resid 18 and name HB1) (resid 18 and name HN) 1.8 0.0 3.2
assign (resid 18 and name HB2) (resid 18 and name HN) 1.8 0.0 1.7

assign (resid 18 and name HB#) (resid 18 and name HD1) 1.8 0.0 3.2
assign (resid 18 and name HB#) (resid 18 and name HD2) 1.8 0.0 3.2

!inter



assign (resid 18 and name HA) (resid 19 and name HN) 1.8 0.0 3.2

assign (resid 18 and name HA) (resid 19 and name HA) 1.8 0.0 3.2

!assign (resid 18 and name HA) (resid 20 and name HN) 1.8 0.0 4.2

assign (resid 18 and name HA) (resid 31 and name HA) 1.8 0.0 3.2

!assign (resid 18 and name HB1) (resid 29 and name HN) 1.8 0.0 3.2   !0609
!assign (resid 18 and name HB2) (resid 29 and name HN) 1.8 0.0 3.2    !0609


!assign (resid 18 and (name HB1 or name HB2)) (resid 29 and (name HA1 or name HA2)) 1.8 0.0 1.7   !0609

assign (resid 18 and name HD1) (resid 31 and (name HD21 or name HD22)) 1.8 0.0 1.7   !0609

assign (resid 18 and name HD1) (resid 32 and name HN) 1.8 0.0 3.2   !0609


assign (resid 18 and name HB1) (resid 19 and name HN) 1.8 0.0 4.2
assign (resid 18 and name HB2) (resid 19 and name HN) 1.8 0.0 4.2

assign (resid 18 and name HB#) (resid 32 and name HN) 1.8 0.0 3.2

assign (resid 18 and name HB#) (resid 32 and name HB#) 1.8 0.0 4.2

!assign (resid 18 and name HN) (resid 29 and name HN) 1.8 0.0 3.2    !0609


assign (resid 18 and name HN) (resid 104 and name HC) 1.8 0.0 3.2    !0609

assign (resid 18 and name HA) (resid 19 and name HA) 1.8 0.0  3.2    !0609


!THR19

!intra

assign (resid 19 and name HA) (resid 19 and name HB) 1.8 0.0 1.1   !0609

assign (resid 19 and name HG2#) (resid 19 and name HA) 1.8 0.0 1.1

assign (resid 19 and name HG2#) (resid 19 and name HB) 1.8 0.0 1.1 !0609

assign (resid 19 and name HG2#) (resid 19 and name HN) 1.8 0.0 3.2

assign (resid 19 and name HA) (resid 19 and name HN) 1.8 0.0 3.2

assign (resid 19 and name HB) (resid 19 and name HN) 1.8 0.0 3.2

!inter

assign (resid 19 and name HG2#) (resid 25 and name HD#) 1.8 0.0 1.7

assign (resid 19 and name HG2#) (resid 20 and name HN) 1.8 0.0 3.2

assign (resid 19 and name HG2#) (resid 31 and name HD2#) 1.8 0.0 3.2

assign (resid 19 and name HN) (resid 31 and name HN) 1.8 0.0 4.2

assign (resid 19 and name HN) (resid 31 and name HA) 1.8 0.0 3.2    !new
assign (resid 19 and name HB) (resid 24 and name HA1) 1.8 0.0 4.2
assign (resid 19 and name HB) (resid 24 and name HA2) 1.8 0.0 4.2

assign (resid 19 and name HA) (resid 20 and name HG1#) 1.8 0.0 4.2 !new
assign (resid 19 and name HA) (resid 20 and name HG2#) 1.8 0.0 3.2 !new

assign (resid 19 and name HB) (resid 20 and name HG1#) 1.8 0.0 4.2 !new
assign (resid 19 and name HB) (resid 20 and name HG2#) 1.8 0.0 3.2 !new

assign (resid 19 and name HA) (resid 20 and name HN) 1.8 0.0 3.2
assign (resid 19 and name HN) (resid 20 and name HN) 1.8 0.0 4.2    !new

assign (resid 19 and name HB) (resid 20 and name HN) 1.8 0.0 3.2

assign (resid 19 and name HB) (resid 24 and name HA#) 1.8 0.0 3.2

assign (resid 19 and name HB) (resid 24 and name HN) 1.8 0.0 4.2 !new

assign (resid 19 and name HB) (resid 31 and name HD2#) 1.8 0.0 3.2

assign (resid 19 and name HG2#) (resid 31 and (name HB1 or name HB2)) 1.8 0.0 3.2  !0609






!VAL20

!intra

assign (resid 20 and name HB) (resid 20 and name HN) 1.8 0.0 3.2

assign (resid 20 and name HG1#) (resid 20 and name HN) 1.8 0.0 3.2
assign (resid 20 and name HG2#) (resid 20 and name HN) 1.8 0.0 1.7

assign (resid 20 and name HG1#) (resid 20 and name HA) 1.8 0.0 1.7
assign (resid 20 and name HG2#) (resid 20 and name HA) 1.8 0.0 1.7



!inter

assign (resid 20 and name HB) (resid 21 and name HN) 1.8 0.0 3.2  !new

assign (resid 20 and (name HG1# or name HG2#)) (resid 101 and name HB#) 1.8 0.0 3.2

assign (resid 20 and name HA) (resid 32 and name HB#) 1.8 0.0 3.2  

assign (resid 20 and name HA) (resid 33 and name HN) 1.8 0.0 3.2 

assign (resid 20 and name HG1#) (resid 98 and name HD#) 1.8 0.0 3.2
assign (resid 20 and name HG2#) (resid 98 and name HD#) 1.8 0.0 3.2






!GLU21

!intra

assign (resid 21 and name HB1) (resid 21 and name HN) 1.8 0.0 3.2
assign (resid 21 and name HB2) (resid 21 and name HN) 1.8 0.0 3.2

assign (resid 21 and name HA) (resid 21 and name HN) 1.8 0.0 1.7

assign (resid 21 and name HB1) (resid 21 and name HA) 1.8 0.0 3.2  !0609
assign (resid 21 and name HB2) (resid 21 and name HA) 1.8 0.0 3.2   !0609

assign (resid 21 and name HG1) (resid 21 and name HA) 1.8 0.0 3.2
assign (resid 21 and name HG2) (resid 21 and name HA) 1.8 0.0 3.2



!inter

assign (resid 21 and name HN) (resid 22 and name HN) 1.8 0.0 3.2

assign (resid 21 and name HA) (resid 22 and name HN) 1.8 0.0 3.2

assign (resid 21 and name HB#) (resid 24 and name HN) 1.8 0.0 3.2

assign (resid 21 and name HG1) (resid 22 and name HN) 1.8 0.0 3.2
assign (resid 21 and name HG2) (resid 22 and name HN) 1.8 0.0 3.2



!LYS22

!intra

assign (resid 22 and name HA) (resid 22 and name HN) 1.8 0.0 3.2

assign (resid 22 and name HG1) (resid 22 and name HN) 1.8 0.0 3.2   !0609
assign (resid 22 and name HG2) (resid 22 and name HN) 1.8 0.0 3.2   !0609
assign (resid 22 and name HB#) (resid 22 and name HN) 1.8 0.0 3.2   !0609
assign (resid 22 and name HD#) (resid 22 and name HN) 1.8 0.0 3.2   !0609


!inter

assign (resid 22 and name HA) (resid 23 and name HN) 1.8 0.0 3.2

assign (resid 22 and name HA) (resid 33 and name HB#) 1.8 0.0 3.2








!GLY23

!intra

assign (resid 23 and name HA1) (resid 23 and name HN) 1.8 0.0 3.2
assign (resid 23 and name HA2) (resid 23 and name HN) 1.8 0.0 3.2

! inter

assign (resid 23 and name HN) (resid 33 and name HB#) 1.8 0.0 3.2



assign (resid 23 and name HN) (resid 24 and name HN) 1.8 0.0 3.2   !0609
assign (resid 23 and name HA1) (resid 24 and name HN) 1.8 0.0 1.7
assign (resid 23 and name HA2) (resid 24 and name HN) 1.8 0.0 1.7






!GLY24

!intra

assign (resid 24 and name HA1) (resid 24 and name HN) 1.8 0.0 1.7
assign (resid 24 and name HA2) (resid 24 and name HN) 1.8 0.0 1.7

!inter

assign (resid 24 and name HA#) (resid 25 and name HD#) 1.8 0.0 1.7

assign (resid 24 and name HA#) (resid 31 and name HB#) 1.8 0.0 1.7

assign (resid 24 and name HA#) (resid 31 and name HD21) 1.8 0.0 3.2
assign (resid 24 and name HA#) (resid 31 and name HD22) 1.8 0.0 3.2

! assign (resid 24 and name HA#) (resid 35 and name HN) 1.8 0.0 3.2 ! check




! P25

assign (resid 25 and name HB#) (resid 25 and name HA) 1.8 0.0 1.7   !0609

assign (resid 25 and name HB1) (resid 25 and name HD#) 1.8 0.0 3.2
assign (resid 25 and name HB2) (resid 25 and name HD#) 1.8 0.0 3.2

assign (resid 25 and (name HG1 or name HG2)) (resid 25 and name HA) 1.8 0.0 1.7   !0609

!inter

assign (resid 25 and (name HG1 or name HG2)) (resid 27 and name HN) 1.8 0.0 1.7   !0609
assign (resid 25 and name HB1) (resid 27 and name HN) 1.8 0.0 3.2   !0609
assign (resid 25 and name HB2) (resid 27 and name HN) 1.8 0.0 3.2   !0609

!HIS26

!intra

assign (resid 26 and name HA) (resid 26 and name HD2) 1.8 0.0 3.2

!assign (resid 26 and name HB1) (resid 26 and name HA) 1.8 0.0 3.2
!assign (resid 26 and name HB2) (resid 26 and name HA) 1.8 0.0 3.2

assign (resid 26 and name HB1) (resid 26 and name HD2) 1.8 0.0 1.7
assign (resid 26 and name HB2) (resid 26 and name HD2) 1.8 0.0 1.7

!assign (resid 26 and name HD2) (resid 26 and name HE1) 1.8 0.0 3.2

!inter

assign (resid 26 and name HA) (resid 27 and name HN) 1.8 0.0 3.2

assign (resid 26 and name HA) (resid 30 and name HA) 1.8 0.0 4.2

assign (resid 26 and name HA) (resid 31 and name HA) 1.8 0.0 3.2

assign (resid 26 and name HA) (resid 31 and name HB1) 1.8 0.0 3.2
assign (resid 26 and name HA) (resid 31 and name HB2) 1.8 0.0 3.2

assign (resid 26 and name HA) (resid 31 and name HN) 1.8 0.0 3.2



assign (resid 26 and name HB1) (resid 27 and name HN) 1.8 0.0 3.2
assign (resid 26 and name HB2) (resid 27 and name HN) 1.8 0.0 3.2

assign (resid 26 and name HB#) (resid 30 and name HA) 1.8 0.0 4.2

assign (resid 26 and name HB#) (resid 31 and name HD2#) 1.8 0.0 4.2

assign (resid 26 and name HB#) (resid 46 and name HB#) 1.8 0.0 4.2

assign (resid 26 and name HB#) (resid 46 and name HD#) 1.8 0.0 4.2




assign (resid 26 and name HD2) (resid 45 and name HA#) 1.8 0.0 3.2

assign (resid 26 and name HD2) (resid 46 and name HA) 1.8 0.0 3.2

assign (resid 26 and name HD2) (resid 46 and name HD#) 1.8 0.0 3.2

assign (resid 26 and name HD2) (resid 46 and name HB1) 1.8 0.0 3.2
assign (resid 26 and name HD2) (resid 46 and name HB2) 1.8 0.0 3.2







!LYS27

!intra

assign (resid 27 and name HB1) (resid 27 and name HN) 1.8 0.0 1.7
assign (resid 27 and name HB2) (resid 27 and name HN) 1.8 0.0 1.7

assign (resid 27 and (name HG1 or name HG2)) (resid 27 and name HN) 1.8 0.0 3.2   !0609


!inter

assign (resid 27 and (name HG1 or name HG2)) (resid 28 and name HN) 1.8 0.0 1.7   !0609

assign (resid 27 and name HB#) (resid 28 and name HN) 1.8 0.0 1.1



assign (resid 27 and name HB#) (resid 29 and name HN) 1.8 0.0 3.2

assign (resid 27 and name HN) (resid 31 and name HD2#) 1.8 0.0 1.7

assign (resid 27 and (name HB1 or name HB2)) (resid 28 and name HA) 1.8 0.0 4.2   !0609




!VAL28

!intra

assign (resid 28 and name HA) (resid 28 and name HB) 1.8 0.0 1.1   !0609

assign (resid 28 and name HA) (resid 28 and name HG1#) 1.8 0.0 1.7
assign (resid 28 and name HA) (resid 28 and name HG2#) 1.8 0.0 1.7

assign (resid 28 and name HA) (resid 28 and name HN) 1.8 0.0 1.7

assign (resid 28 and name HB) (resid 28 and name HG1#) 1.8 0.0 1.7
assign (resid 28 and name HB) (resid 28 and name HG2#) 1.8 0.0 1.7

assign (resid 28 and name HB) (resid 28 and name HN) 1.8 0.0 3.2

assign (resid 28 and name HG2#) (resid 28 and name HN) 1.8 0.0 3.2
assign (resid 28 and name HG1#) (resid 28 and name HN) 1.8 0.0 3.2

!inter

!assign (resid 28 and name HG1#) (resid 26 and name HD1) 1.8 0.0 4.2
!assign (resid 28 and name HG2#) (resid 26 and name HD1) 1.8 0.0 4.2
assign (resid 28 and name HA) (resid 27 and name HN) 1.8 0.0 4.2  !0609

assign (resid 28 and name HB) (resid 29 and name HN) 1.8 0.0 1.7    !0609

assign (resid 28 and name HG1#) (resid 29 and name HN) 1.8 0.0 1.7
assign (resid 28 and name HG2#) (resid 29 and name HN) 1.8 0.0 1.7

assign (resid 28 and (name HG1# or name HG2#)) (resid 104 and name HMD#) 1.8 0.0 3.2

assign (resid 28 and (name HG1# or name HG2#)) (resid 104 and name HD) 1.8 0.0 3.2

!assign (resid 28 and name HA) (resid 30 and name HA) 1.8 0.0 4.2  !0609





!GLY29

!intra

assign (resid 29 and name HA1) (resid 29 and name HN) 1.8 0.0 1.7
assign (resid 29 and name HA2) (resid 29 and name HN) 1.8 0.0 1.7


assign (resid 29 and name HA1) (resid 29 and name HA2) 1.8 0.0 1.1   !0609
 
!inter

assign (resid 29 and name HA1) (resid 30 and name HD1) 1.8 0.0 3.2

assign (resid 29 and name HA1) (resid 30 and name HD2) 1.8 0.0 3.2  !0609
assign (resid 29 and name HA2) (resid 30 and name HD1) 1.8 0.0 3.2  !0609

assign (resid 29 and name HA2) (resid 30 and name HD2) 1.8 0.0 3.2  !0609

assign (resid 29 and name HA1) (resid 104 and name HD) 1.8 0.0 3.2  !0609
assign (resid 29 and name HA2) (resid 104 and name HD) 1.8 0.0 3.2   !0609
assign (resid 29 and name HA1) (resid 104 and name HMD#) 1.8 0.0 4.2
assign (resid 29 and name HA2) (resid 104 and name HMD#) 1.8 0.0 3.2

assign (resid 29 and name HA1) (resid 46 and (name HE1 or name HE2)) 1.8 0.0 4.2 !0609
assign (resid 29 and name HA2) (resid 46 and (name HE1 or name HE2)) 1.8 0.0 4.2
assign (resid 29 and (name HA1 or name HA2)) 
       (resid 46 and (name HB1 or name HB2)) 1.8 0.0 4.2 !0609

!assign (resid 29 and name HA#) (resid 46 and name HN) 1.8 0.0 4.2

assign (resid 29 and name HA#) (resid 26 and name HD1) 1.8 0.0 3.2  

assign (resid 29 and name HA#) (resid 31 and name HD21) 1.8 0.0 3.2   
assign (resid 29 and name HA#) (resid 31 and name HD22) 1.8 0.0 4.2 







!PRo30

! intra

! assign (resid 30 and name HA) (resid 30 and name HB#) 1.8 0.0 1.7

assign (resid 30 and name HA) (resid 30 and name HG#) 1.8 0.0 3.2

assign (resid 30 and name HB#) (resid 30 and name HD#) 1.8 0.0 3.2


!inter

assign (resid 30 and name HA) (resid 26 and name HE1) 1.8 0.0 3.2

assign (resid 30 and name HA) (resid 31 and name HN) 1.8 0.0 3.2

assign (resid 30 and name HA) (resid 31 and name HA) 1.8 0.0 3.2

assign (resid 30 and (name HB1 or name HB2)) (resid 32 and name HN) 1.8 0.0 3.2 !new

assign (resid 30 and name HB1) (resid 26 and name HE1) 1.8 0.0 3.2
assign (resid 30 and name HB2) (resid 26 and name HE1) 1.8 0.0 3.2

assign (resid 30 and name HB1) (resid 31 and name HN) 1.8 0.0 3.2
assign (resid 30 and name HB2) (resid 31 and name HN) 1.8 0.0 3.2

assign (resid 30 and name HB#) (resid 46 and name HD#) 1.8 0.0 3.2

assign (resid 30 and name HB1) (resid 46 and name HE#) 1.8 0.0 3.2
assign (resid 30 and name HB2) (resid 46 and name HE#) 1.8 0.0 3.2

assign (resid 30 and name HG#) (resid 46 and name HE#) 1.8 0.0 3.2

assign (resid 30 and name HG#) (resid 46 and name HD#) 1.8 0.0 3.2

assign (resid 30 and name HD#) (resid 46 and name HD#) 1.8 0.0 3.2

assign (resid 30 and name HB2) (resid 46 and name HE#) 1.8 0.0 3.2
assign (resid 30 and (name HB1 or name HB2)) (resid 104 and (name HAD1 or name HAD2)) 1.8 0.0 3.2  !0609

assign (resid 30 and (name HB1 or name HB2)) (resid 46 and name HA) 1.8 0.0 3.2  !0609

!ASN31

!intra

assign (resid 31 and name HB1) (resid 31 and name HA) 1.8 0.0 1.7   !0609
assign (resid 31 and name HB2) (resid 31 and name HA) 1.8 0.0 1.7   !0609

assign (resid 31 and name HB1) (resid 31 and name HD22) 1.8 0.0 3.2
assign (resid 31 and name HB2) (resid 31 and name HD22) 1.8 0.0 3.2
assign (resid 31 and name HB1) (resid 31 and name HD21) 1.8 0.0 3.2
assign (resid 31 and name HB1) (resid 31 and name HD22) 1.8 0.0 3.2   !0609
assign (resid 31 and name HD21) (resid 31 and name HA) 1.8 0.0 3.2
assign (resid 31 and name HD22) (resid 31 and name HA) 1.8 0.0 3.2




!inter

assign (resid 31 and name HA) (resid 26 and name HE1) 1.8 0.0 4.2  

assign (resid 31 and name HA) (resid 32 and name HN) 1.8 0.0 3.2  

assign (resid 31 and name HB#) (resid 43 and name HB#) 1.8 0.0 3.2

assign (resid 31 and name HB1) (resid 26 and name HE1) 1.8 0.0 4.2
assign (resid 31 and name HB2) (resid 26 and name HE1) 1.8 0.0 4.2










!LEU32

!intra

assign (resid 32 and name HB1) (resid 32 and name HN) 1.8 0.0 1.7
assign (resid 32 and name HB2) (resid 32 and name HN) 1.8 0.0 1.7

assign (resid 32 and name HD1#) (resid 32 and name HA) 1.8 0.0 3.2
assign (resid 32 and name HD2#) (resid 32 and name HA) 1.8 0.0 3.2

assign (resid 32 and name HD1#) (resid 32 and name HN) 1.8 0.0 3.2
assign (resid 32 and name HD2#) (resid 32 and name HN) 1.8 0.0 3.2

!inter

assign (resid 32 and name HN) (resid 33 and name HN) 1.8 0.0 3.2

assign (resid 32 and name HN) (resid 19 and name HN) 1.8 0.0 3.2

assign (resid 32 and (name HD2# or name HD1#)) (resid 104 and name HBA#) 1.8 0.0 3.2

assign (resid 32 and (name HD2# or name HD1#)) (resid 104 and name HA) 1.8 0.0 3.2

assign (resid 32 and name HD1#) (resid 104 and name HMA#) 1.8 0.0 3.2
assign (resid 32 and name HD2#) (resid 104 and name HMA#) 1.8 0.0 3.2

assign (resid 32 and (name HD1# or name HD2#)) (resid 104 and name HMB#) 1.8 0.0 3.2

assign (resid 32 and name HD1#) (resid 35 and name HN) 1.8 0.0 3.2
!assign (resid 32 and name HD2#) (resid 35 and name HN) 1.8 0.0 3.2


assign (resid 32 and (name HB1 or name HB2)) (resid 33 and (name HB1 or name HB1)) 1.8 0.0 3.2 !0609

assign (resid 32 and (name HD1# or name HD1#)) (resid 42 and name HN) 1.8 0.0 4.2 !0609



!HIS33

!intra

assign (resid 33 and name HB1) (resid 33 and name HN) 1.8 0.0 3.2
assign (resid 33 and name HB2) (resid 33 and name HN) 1.8 0.0 3.2

assign (resid 33 and name HB2) (resid 33 and name HA) 1.8 0.0 1.7   !0609
assign (resid 33 and name HB1) (resid 33 and name HA) 1.8 0.0 1.7   !0609

! inter

assign (resid 33 and name HA) (resid 34 and name HN) 1.8 0.0 3.2

assign (resid 33 and name HA) (resid 35 and name HN) 1.8 0.0 3.2






!GLY34

!intra

assign (resid 34 and name HA1) (resid 34 and name HN) 1.8 0.0 3.2
assign (resid 34 and name HA2) (resid 34 and name HN) 1.8 0.0 3.2

!inter

assign (resid 34 and name HA#) (resid 35 and name HN) 1.8 0.0 3.2

assign (resid 34 and name HA#) (resid 33 and name HN) 1.8 0.0 3.2

assign (resid 34 and name HN) (resid 36 and name HD#) 1.8 0.0 3.2

assign (resid 34 and name HN) (resid 35 and name HG12) 1.8 0.0 3.2    !0614cao





!ILE35

!intra

assign (resid 35 and name HA) (resid 35 and name HG1#) 1.8 0.0 1.7
assign (resid 35 and name HA) (resid 35 and name HG2#) 1.8 0.0 1.7

assign (resid 35 and name HA) (resid 35 and name HD#) 1.8 0.0 3.2

assign (resid 35 and name HA) (resid 35 and name HN) 1.8 0.0 1.1

assign (resid 35 and name HB) (resid 35 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HB) (resid 35 and name HD1#) 1.8 0.0 1.7

assign (resid 35 and name HB) (resid 35 and name HG1#) 1.8 0.0 1.1

assign (resid 35 and name HD1#) (resid 35 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HG1#) (resid 35 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HG2#) (resid 35 and name HG1#) 1.8 0.0 1.1

assign (resid 35 and name HG2#) (resid 35 and name HN) 1.8 0.0 3.2
  
assign (resid 35 and name HA) (resid 35 and name HB) 1.8 0.0 1.1     !0609

!inter

! assign (resid 35 and name HN) (resid 36 and name HN) 1.8 0.0 1.7  ! repeated

assign (resid 35 and name HA) (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HA) (resid 38 and name HG#) 1.8 0.0 3.2

assign (resid 35 and name HA) (resid 38 and name HD#) 1.8 0.0 4.2

assign (resid 35 and name HA) (resid 38 and name HN) 1.8 0.0 4.2


assign (resid 35 and name HB) (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HB) (resid 59 and name HD1) 1.8 0.0 4.2


assign (resid 35 and name HD1#) (resid 32 and name HB1) 1.8 0.0 3.2
assign (resid 35 and name HD1#) (resid 32 and name HB2) 1.8 0.0 3.2

assign (resid 35 and name HD1#) (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HD1#) (resid 59 and name HB#) 1.8 0.0 3.2

assign (resid 35 and name HD1#) (resid 59 and name HD1) 1.8 0.0 3.2

assign (resid 35 and name HD1#) (resid 104 and name HMA#) 1.8 0.0 3.2



assign (resid 35 and name HG1#) (resid 32 and name HD1#) 1.8 0.0 3.2
assign (resid 35 and name HG1#) (resid 32 and name HD2#) 1.8 0.0 3.2

assign (resid 35 and name HG1#) (resid 32 and name HB1) 1.8 0.0 4.2
assign (resid 35 and name HG1#) (resid 32 and name HB2) 1.8 0.0 4.2


assign (resid 35 and name HG1#) (resid 59 and name HB#) 1.8 0.0 4.2

assign (resid 35 and name HG1#) (resid 59 and name HE1) 1.8 0.0 3.2

assign (resid 35 and name HG1#) (resid 59 and name HD1) 1.8 0.0 3.2

assign (resid 35 and name HG1#) (resid 104 and name HMA#) 1.8 0.0 3.2



assign (resid 35 and name HG2#) (resid 32 and name HB1) 1.8 0.0 3.2
assign (resid 35 and name HG2#) (resid 32 and name HB2) 1.8 0.0 3.2

assign (resid 35 and name HG2#) (resid 36 and name HN) 1.8 0.0 3.2

assign (resid 35 and name HG2#) (resid 59 and name HB#) 1.8 0.0 3.2

assign (resid 35 and name HG2#) (resid 59 and (name HD1 or name HZ2)) 1.8 0.0 3.2







!PHE36

!intra

assign (resid 36 and name HA) (resid 36 and name HN) 1.8 0.0 1.7

assign (resid 36 and name HB#) (resid 36 and name HD#) 1.8 0.0 1.1

assign (resid 36 and name HA) (resid 36 and name HD#) 1.8 0.0 3.2

assign (resid 36 and name HB#) (resid 36 and name HD#) 1.8 0.0 3.2

assign (resid 36 and name HB1) (resid 36 and name HN) 1.8 0.0 3.2
assign (resid 36 and name HB2) (resid 36 and name HN) 1.8 0.0 1.7

assign (resid 36 and name HB1) (resid 36 and name HE#) 1.8 0.0 3.2
assign (resid 36 and name HB2) (resid 36 and name HE#) 1.8 0.0 3.2

assign (resid 36 and name HD#) (resid 36 and name HE#) 1.8 0.0 1.1  !0609
assign (resid 36 and name HZ) (resid 36 and name HE#) 1.8 0.0 1.1  !0609
assign (resid 36 and name HZ) (resid 36 and name HD#) 1.8 0.0 3.2  !0609

!inter

assign (resid 36 and name HA) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 36 and name HB2) (resid 37 and name HN) 1.8 0.0 3.2
assign (resid 36 and name HB1) (resid 37 and name HN) 1.8 0.0 3.2


assign (resid 36 and name HN) (resid 35 and name HN) 1.8 0.0 3.2



assign (resid 36 and name HD#) (resid 33 and name HA) 1.8 0.0 3.2 !new

assign (resid 36 and name HD#) (resid 61 and name HN) 1.8 0.0 3.2 !new

assign (resid 36 and name HD#) (resid 61 and name HA) 1.8 0.0 3.2 !new

assign (resid 36 and name HD#) (resid 64 and name HB1) 1.8 0.0 3.2 !new
assign (resid 36 and name HD#) (resid 64 and name HB2) 1.8 0.0 3.2 !new

assign (resid 36 and name HD#) (resid 64 and name HE#) 1.8 0.0 3.2 !new


assign (resid 36 and name HD#) (resid 99 and name HA) 1.8 0.0 3.2 !new

assign (resid 36 and name HD#) (resid 99 and name HG#) 1.8 0.0 3.2 !new




assign (resid 36 and name HE#) (resid 64 and name HB1) 1.8 0.0 3.2 !new
assign (resid 36 and name HE#) (resid 64 and name HB2) 1.8 0.0 3.2 !new

assign (resid 36 and name HE#) (resid 64 and name HG#) 1.8 0.0 3.2 !new

assign (resid 36 and name HE#) (resid 64 and name HE#) 1.8 0.0 3.2 !new

assign (resid 36 and name HE#) (resid 61 and name HN) 1.8 0.0 3.2 !new

assign (resid 36 and name HE#) (resid 61 and name HA) 1.8 0.0 1.1 !new

assign (resid 36 and name HE#) (resid 61 and name HG#) 1.8 0.0 1.7  !0614cao

assign (resid 36 and name HE#) (resid 98 and name HN) 1.8 0.0 4.2 !new

assign (resid 36 and name HE#) (resid 95 and name HG2#) 1.8 0.0 3.2

assign (resid 36 and name HE#) (resid 98 and name HD1#) 1.8 0.0 3.2 !new

assign (resid 36 and name HE#) (resid 98 and name HD2#) 1.8 0.0 3.2 !new

assign (resid 36 and name HE#) (resid 99 and name HN) 1.8 0.0 4.2 !new

assign (resid 36 and name HE#) (resid 99 and name HA) 1.8 0.0 4.2 !new

assign (resid 36 and name HE#) ((resid 61 or resid 99) and name HB#) 1.8 0.0 3.2 !new

assign (resid 36 and name HE#) (resid 99 and name HD#) 1.8 0.0 4.2 !new



assign (resid 36 and name HZ) (resid 99 and name HA) 1.8 0.0 4.2 !new

assign (resid 36 and name HZ) (resid 99 and name HN) 1.8 0.0 4.2 !new

assign (resid 36 and name HZ) (resid 64 and name HB1) 1.8 0.0 3.2 !new

assign (resid 36 and name HZ) (resid 64 and name HB2) 1.8 0.0 3.2 !new

assign (resid 36 and name HZ) (resid 61 and name HA) 1.8 0.0 3.2 !new

assign (resid 36 and name HZ) (resid 64 and name HE#) 1.8 0.0 3.2 !new

assign (resid 36 and name HZ) (resid 95 and name HG1#) 1.8 0.0 4.2

assign (resid 36 and name HZ) (resid 95 and name HG2#) 1.8 0.0 3.2

assign (resid 36 and name HZ) (resid 98 and name HB#) 1.8 0.0 3.2

assign (resid 36 and name HZ) (resid 98 and name HD1#) 1.8 0.0 3.2

assign (resid 36 and name HZ) (resid 98 and name HD2#) 1.8 0.0 3.2 !new








!GLY37

!intra

assign (resid 37 and name HA1) (resid 37 and name HN) 1.8 0.0 1.7
assign (resid 37 and name HA2) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 37 and name HA2) (resid 37 and name HA1) 1.8 0.0 1.1   !0609

!inter

assign (resid 37 and name HN) (resid 38 and name HN) 1.8 0.0 1.7

assign (resid 37 and name HA#) (resid 39 and name HN) 1.8 0.0 4.2

assign (resid 37 and name HA#) (resid 58 and name HD1#) 1.8 0.0 3.2
assign (resid 37 and name HA#) (resid 58 and name HD2#) 1.8 0.0 3.2

assign (resid 37 and name HA1) (resid 38 and name HN) 1.8 0.0 1.7
assign (resid 37 and name HA2) (resid 38 and name HN) 1.8 0.0 1.7







!ARG38

!intra

assign (resid 38 and name HB#) (resid 38 and name HN) 1.8 0.0 1.7

assign (resid 38 and name HG#) (resid 38 and name HN) 1.8 0.0 3.2

assign (resid 38 and name HD#) (resid 38 and name HN) 1.8 0.0 3.2

assign (resid 38 and name HD#) (resid 38 and name HB#) 1.8 0.0 3.2

assign (resid 38 and name HB#) (resid 38 and name HG#) 1.8 0.0 1.7   !0609

!inter

assign (resid 38 and name HN) (resid 59 and name HD1) 1.8 0.0 3.2


assign (resid 38 and name HB#) (resid 39 and name HN) 1.8 0.0 1.7

assign (resid 38 and name HB#) (resid 42 and name HN) 1.8 0.0 4.2

assign (resid 38 and name HB#) (resid 59 and name HD1) 1.8 0.0 4.2


assign (resid 38 and name HD#) (resid 39 and name HE1) 1.8 0.0 4.2

!assign (resid 38 and name HD#) (resid 42 and name HB#) 1.8 0.0 1.7

assign (resid 38 and name HD#) (resid 42 and name HG#) 1.8 0.0 3.2


assign (resid 38 and name HG#) (resid 42 and name HN) 1.8 0.0 4.2

assign (resid 38 and name HG#) (resid 59 and name HD1) 1.8 0.0 3.2

assign (resid 38 and name HD#) (resid 42 and name HB1) 1.8 0.0 1.7    !0609
assign (resid 38 and name HD#) (resid 42 and name HB2) 1.8 0.0 1.7    !0609












!HIS39

!intra

assign (resid 39 and name HB1) (resid 39 and name HD2) 1.8 0.0 3.2
assign (resid 39 and name HB2) (resid 39 and name HD2) 1.8 0.0 3.2

assign (resid 39 and name HB1) (resid 39 and name HE1) 1.8 0.0 4.2

assign (resid 39 and name HB2) (resid 39 and name HE1) 1.8 0.0 3.2
assign (resid 39 and name HB1) (resid 39 and name HN) 1.8 0.0 3.2
assign (resid 39 and name HB2) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 39 and name HE1) (resid 39 and name HD1) 1.8 0.0 3.2

!inter

assign (resid 39 and name HA) (resid 58 and name HD1#) 1.8 0.0 3.2 !new

assign (resid 39 and name HA) (resid 58 and name HD2#) 1.8 0.0 4.2 !new


assign (resid 39 and name HB#) (resid 56 and name HA) 1.8 0.0 3.2

assign (resid 39 and name HB#) (resid 40 and name HN) 1.8 0.0 3.2

assign (resid 39 and name HB1) (resid 42 and name HN) 1.8 0.0 3.2
assign (resid 39 and name HB2) (resid 42 and name HN) 1.8 0.0 3.2

assign (resid 39 and name HB#) (resid 42 and name HE2#) 1.8 0.0 3.2

assign (resid 39 and (name HB1 or name HB2)) (resid 58 and (name HD1# or name HD2#)) 1.8 0.0 3.2   !0609


assign (resid 39 and name HD2) (resid 56 and name HA) 1.8 0.0 3.2 !new

assign (resid 39 and name HD2) (resid 58 and name HD1#) 1.8 0.0 3.2 !new
assign (resid 39 and name HD2) (resid 58 and name HD2#) 1.8 0.0 4.2 !new

assign (resid 39 and name HD2) (resid 58 and name HA) 1.8 0.0 3.2 !new

assign (resid 39 and name HD2) (resid 57 and name HA) 1.8 0.0 3.2 !new

assign (resid 39 and name HD2) (resid 58 and (name HB1 or name HB2)) 1.8 0.0 3.2 !new   !0609
assign (resid 39 and name HD2) (resid 58 and name HN) 1.8 0.0 1.7 !0609






!SER40

!intra

assign (resid 40 and name HB1) (resid 40 and name HN) 1.8 0.0 1.7
assign (resid 40 and name HB2) (resid 40 and name HN) 1.8 0.0 3.2

assign (resid 40 and name HA) (resid 40 and name HN) 1.8 0.0 3.2

assign (resid 40 and name HB1) (resid 40 and name HA) 1.8 0.0 3.2    !0609
assign (resid 40 and name HB2) (resid 40 and name HA) 1.8 0.0 3.2    !0609

!inter

assign (resid 40 and name HN) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 40 and name HA) (resid 41 and name HN) 1.8 0.0 3.2

assign (resid 40 and name HA) (resid 59 and name HD1) 1.8 0.0 3.2  

assign (resid 40 and name HA) (resid 59 and name HE1) 1.8 0.0 3.2 

assign (resid 40 and name HB1) (resid 41 and name HN) 1.8 0.0 3.2
assign (resid 40 and name HB2) (resid 41 and name HN) 1.8 0.0 3.2

assign (resid 40 and name HB1) (resid 52 and name HD2#) 1.8 0.0 3.2
assign (resid 40 and name HB2) (resid 52 and name HD2#) 1.8 0.0 3.2

assign (resid 40 and name HB1) (resid 57 and name HN) 1.8 0.0 3.2
assign (resid 40 and name HB2) (resid 57 and name HN) 1.8 0.0 3.2

assign (resid 40 and name HB1) (resid 57 and (name HG2# or name HG1#)) 1.8 0.0 3.2
assign (resid 40 and name HB2) (resid 57 and (name HG2# or name HG1#)) 1.8 0.0 3.2

assign (resid 40 and name HB1) (resid 59 and name HE1) 1.8 0.0 3.2
assign (resid 40 and name HB2) (resid 59 and name HE1) 1.8 0.0 3.2

assign (resid 40 and name HB1) (resid 59 and name HZ2) 1.8 0.0 3.2  !new
assign (resid 40 and name HB2) (resid 59 and name HZ2) 1.8 0.0 3.2  !new

assign (resid 40 and name HA) (resid 56 and (name HB2 or name HB1)) 1.8 0.0 3.2   !0609

assign (resid 40 and name HB1) (resid 56 and name HB1) 1.8 0.0 3.2  !0609
assign (resid 40 and name HB2) (resid 56 and name HB1) 1.8 0.0 3.2  !0609
assign (resid 40 and name HB1) (resid 56 and name HB2) 1.8 0.0 3.2  !0609
assign (resid 40 and name HB2) (resid 56 and name HB2) 1.8 0.0 3.2  !0609


!GLY41

!intra

assign (resid 41 and name HA1) (resid 41 and name HN) 1.8 0.0 1.1
assign (resid 41 and name HA2) (resid 41 and name HN) 1.8 0.0 1.1

assign (resid 41 and name HA2) (resid 41 and name HA1) 1.8 0.0 1.7  !0609

!inter

assign (resid 41 and name HN) (resid 59 and name HD1) 1.8 0.0 3.2

assign (resid 41 and name HA#) (resid 42 and name HN) 1.8 0.0 1.7

assign (resid 41 and name HA#) (resid 43 and name HN) 1.8 0.0 3.2

assign (resid 41 and name HA#) (resid 48 and name HB#) 1.8 0.0 3.2

assign (resid 41 and name HA#) (resid 53 and name HA) 1.8 0.0 3.2

assign (resid 41 and name HA#) (resid 53 and name HG12) 1.8 0.0 3.2
assign (resid 41 and name HA#) (resid 53 and name HG11) 1.8 0.0 3.2

assign (resid 41 and name HA#) (resid 53 and name HG2#) 1.8 0.0 3.2

!!! assign (resid 41 and name HA#) (resid 59 and name HD1) 1.8 0.0 4.2





!GLN42

!intra

assign (resid 42 and name HA) (resid 42 and name HN) 1.8 0.0 1.7

assign (resid 42 and name HB1) (resid 42 and name HN) 1.8 0.0 3.2
assign (resid 42 and name HB2) (resid 42 and name HN) 1.8 0.0 3.2

assign (resid 42 and name HG2) (resid 42 and name HN) 1.8 0.0 3.2
assign (resid 42 and name HG1) (resid 42 and name HN) 1.8 0.0 3.2

assign (resid 42 and name HG2) (resid 42 and name HA) 1.8 0.0 1.7
assign (resid 42 and name HG1) (resid 42 and name HA) 1.8 0.0 1.7

assign (resid 42 and name HG2) (resid 42 and name HE21) 1.8 0.0 3.2
assign (resid 42 and name HG1) (resid 42 and name HE22) 1.8 0.0 3.2
assign (resid 42 and name HG2) (resid 42 and name HE21) 1.8 0.0 3.2
assign (resid 42 and name HG1) (resid 42 and name HE22) 1.8 0.0 3.2

assign (resid 42 and name HB1) (resid 42 and name HA) 1.8 0.0 3.2   !0609
assign (resid 42 and name HB2) (resid 42 and name HA) 1.8 0.0 3.2   !0609

!inter

assign (resid 42 and name HN) (resid 41 and name HN) 1.8 0.0 3.2

assign (resid 42 and name HB#) (resid 39 and name HN) 1.8 0.0 1.7

assign (resid 42 and name HE2#) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 42 and name HG#) (resid 48 and name HN) 1.8 0.0 4.2







!ALA43

!intra

assign (resid 43 and name HA) (resid 43 and name HN) 1.8 0.0 1.1

assign (resid 43 and name HB#) (resid 43 and name HN) 1.8 0.0 1.1
assign (resid 43 and name HA) (resid 43 and name HB#) 1.8 0.0 1.1  !0609


!inter

assign (resid 43 and name HN) (resid 42 and name HN) 1.8 0.0 3.2


assign (resid 43 and name HA) (resid 44 and name HN) 1.8 0.0 3.2


assign (resid 43 and name HB#) (resid 26 and name HD1) 1.8 0.0 4.2

assign (resid 43 and name HB#) (resid 26 and name HE1) 1.8 0.0 4.2

assign (resid 43 and name HB#) (resid 44 and name HN) 1.8 0.0 1.7

assign (resid 43 and name HB#) (resid 48 and name HN) 1.8 0.0 1.7  !0609











!GLU44

!intra

assign (resid 44 and name HA) (resid 44 and name HN) 1.8 0.0 3.2

assign (resid 44 and name HB#) (resid 44 and name HN) 1.8 0.0 3.2

assign (resid 44 and name HG2) (resid 44 and name HA) 1.8 0.0 1.7
assign (resid 44 and name HG1) (resid 44 and name HA) 1.8 0.0 1.7

!inter

assign (resid 44 and (name HB1 or name HB2)) (resid 45 and name HN) 1.8 0.0 3.2







!GLY45

!intra

assign (resid 45 and name HA1) (resid 45 and name HN) 1.8 0.0 1.1
assign (resid 45 and name HA2) (resid 45 and name HN) 1.8 0.0 1.1
assign (resid 45 and name HA2) (resid 45 and name HA1) 1.8 0.0 1.1  !0609


!inter

assign (resid 45 and name HA#) (resid 26 and name HD1) 1.8 0.0 3.2

assign (resid 45 and name HA#) (resid 26 and name HE1) 1.8 0.0 3.2

assign (resid 45 and name HA#) (resid 46 and name HN) 1.8 0.0 3.2





!TYR46

!intra

assign (resid 46 and name HA) (resid 46 and name HD1) 1.8 0.0 3.2
assign (resid 46 and name HA) (resid 46 and name HD2) 1.8 0.0 3.2

assign (resid 46 and name HA) (resid 46 and name HN) 1.8 0.0 3.2

assign (resid 46 and name HB1) (resid 46 and name HN) 1.8 0.0 3.2
assign (resid 46 and name HB2) (resid 46 and name HN) 1.8 0.0 3.2

assign (resid 46 and name HB1) (resid 46 and name HA) 1.8 0.0 1.7   !0609
assign (resid 46 and name HB2) (resid 46 and name HA) 1.8 0.0 1.7   !0609


assign (resid 46 and (name HB1 or name HB2)) (resid 46 and name HD#) 1.8 0.0 3.2   !0609

assign (resid 46 and name HD1) (resid 46 and name HD2) 1.8 0.0 3.2
assign (resid 46 and name HD2) (resid 46 and (name HE1 or name HE2)) 1.8 0.0 3.2  !0609
assign (resid 46 and name HD1) (resid 46 and (name HE1 or name HE2)) 1.8 0.0 3.2  !0609
assign (resid 46 and (name HE1 or name HE2)) (resid 46 and name HA) 1.8 0.0 3.2  !0609

!inter

assign (resid 46 and name HA) (resid 48 and name HN) 1.8 0.0 4.2  !new

assign (resid 46 and name HA) (resid 44 and name HN) 1.8 0.0 4.5  !new

assign (resid 46 and name HB#) (resid 26 and name HE1) 1.8 0.0 3.2

assign (resid 46 and name HB#) (resid 26 and name HD1) 1.8 0.0 3.2



assign (resid 46 and name HD2) (resid 48 and name HN) 1.8 0.0 4.2  !new

assign (resid 46 and name HE1) (resid 48 and name HN) 1.8 0.0 4.2  !new

assign (resid 46 and name HE2) (resid 48 and name HN) 1.8 0.0 4.2  !new


assign (resid 46 and (name HE1 or name HE2)) (resid 79 and name HE1 ) 1.8 0.0 3.2  !new

assign (resid 46 and (name HE1 or name HE2)) (resid 79 and name HE1 ) 1.8 0.0 3.2  !new



! S47

assign (resid 47 and name HB1) (resid 47 and name HA) 1.8 0.0 1.7
assign (resid 47 and name HB2) (resid 47 and name HA) 1.8 0.0 1.7



!inter

assign (resid 47 and name HA) (resid 48 and name HN) 1.8 0.0 3.2   !0619
assign (resid 47 and (name HB1 or name HB2)) (resid 48 and name HN) 1.8 0.0 3.2   !0619






!TYR48

!intra

assign (resid 48 and name HA) (resid 48 and name HN) 1.8 0.0 1.7

assign (resid 48 and name HA) (resid 48 and name HD#) 1.8 0.0 3.2

assign (resid 48 and name HB1) (resid 48 and name HD#) 1.8 0.0 1.7
assign (resid 48 and name HB2) (resid 48 and name HD#) 1.8 0.0 1.7

assign (resid 48 and name HB1) (resid 48 and name HN) 1.8 0.0 1.7
assign (resid 48 and name HB2) (resid 48 and name HN) 1.8 0.0 1.7


!inter

assign (resid 48 and name HN) (resid 49 and name HN) 1.8 0.0 3.2



assign (resid 48 and name HB#) (resid 53 and name HB) 1.8 0.0 3.2

assign (resid 48 and name HB#) (resid 53 and name HG11) 1.8 0.0 1.7
assign (resid 48 and name HB#) (resid 53 and name HG12) 1.8 0.0 1.7

assign (resid 48 and name HB#) (resid 53 and name HG2#) 1.8 0.0 3.2



assign (resid 48 and name HD#) (resid 49 and name HN) 1.8 0.0 3.2

assign (resid 48 and name HD#) (resid 52 and name HB#) 1.8 0.0 3.2

assign (resid 48 and name HD#) (resid 52 and name HD2#) 1.8 0.0 3.2

assign (resid 48 and name HD#) (resid 53 and name HG1#) 1.8 0.0 3.2

assign (resid 48 and name HD#) (resid 53 and name HD1#) 1.8 0.0 3.2





!THR49

!intra

assign (resid 49 and name HG2#) (resid 49 and name HN) 1.8 0.0 3.2

assign (resid 49 and name HG2#) (resid 49 and name HA) 1.8 0.0 1.7

assign (resid 49 and name HA) (resid 49 and name HN) 1.8 0.0 1.7

assign (resid 49 and name HB) (resid 49 and name HN) 1.8 0.0 3.2
assign (resid 49 and name HA) (resid 49 and name HB) 1.8 0.0 1.7    !0609

assign (resid 49 and name HG2#) (resid 49 and name HB) 1.8 0.0 1.7  !0609

!inter

assign (resid 49 and name HA) (resid 50 and name HN) 1.8 0.0 1.7

assign (resid 49 and name HB) (resid 51 and name HN) 1.8 0.0 3.2

assign (resid 49 and name HB) (resid 52 and name HD2#) 1.8 0.0 3.2

assign (resid 49 and name HG2#) (resid 51 and name HN) 1.8 0.0 3.2

assign (resid 49 and name HG2#) (resid 78 and name HA) 1.8 0.0 3.2

assign (resid 49 and name HG2#) (resid 79 and name HN) 1.8 0.0 3.2

assign (resid 49 and name HG2#) (resid 79 and name HE#) 1.8 0.0 3.2








!ASP50

!intra

assign (resid 50 and name HA) (resid 50 and name HN) 1.8 0.0 1.1

assign (resid 50 and name HB1) (resid 50 and name HN) 1.8 0.0 1.7
assign (resid 50 and name HB2) (resid 50 and name HN) 1.8 0.0 1.7

assign (resid 50 and name HB1) (resid 50 and name HA) 1.8 0.0 1.7  !0609
assign (resid 50 and name HB2) (resid 50 and name HA) 1.8 0.0 1.7  !0609
!inter

assign (resid 50 and name HN) (resid 52 and name HN) 1.8 0.0 3.2

assign (resid 50 and name HA) (resid 51 and name HN) 1.8 0.0 3.2

assign (resid 50 and name HA) (resid 52 and name HN) 1.8 0.0 3.2  

assign (resid 50 and name HA) (resid 53 and name HN) 1.8 0.0 3.2  

assign (resid 50 and name HA) (resid 53 and name HB) 1.8 0.0 3.2 

assign (resid 50 and name HA) (resid 54 and name HN) 1.8 0.0 3.2  

assign (resid 50 and name HA) (resid 53 and name HG2#) 1.8 0.0 3.2

assign (resid 50 and name HB1) (resid 51 and name HN) 1.8 0.0 3.2
assign (resid 50 and name HB2) (resid 51 and name HN) 1.8 0.0 3.2













!ALA51

!intra

assign (resid 51 and name HA) (resid 51 and name HB#) 1.8 0.0 1.7

assign (resid 51 and name HB#) (resid 51 and name HN) 1.8 0.0 1.1

assign (resid 51 and name HA) (resid 51 and name HN) 1.8 0.0 1.7

!inter

assign (resid 51 and name HN) (resid 50 and name HN) 1.8 0.0 1.1

assign (resid 51 and name HN) (resid 53 and name HN) 1.8 0.0 3.2  

assign (resid 51 and name HA) (resid 52 and name HN) 1.8 0.0 1.7

assign (resid 51 and name HA) (resid 53 and name HN) 1.8 0.0 3.2  

assign (resid 51 and name HA) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 51 and name HA) (resid 55 and name HN) 1.8 0.0 3.2  

assign (resid 51 and name HB#) (resid 52 and name HN) 1.8 0.0 1.1

assign (resid 51 and name HB#) (resid 75 and name HG2#) 1.8 0.0 3.2

assign (resid 51 and name HB#) (resid 77 and name HA#) 1.8 0.0 3.2

assign (resid 51 and name HB#) (resid 78 and name HN) 1.8 0.0 4.2

assign (resid 51 and name HB#) (resid 78 and name HA) 1.8 0.0 3.2

assign (resid 51 and name HB#) (resid 78 and name HB) 1.8 0.0 4.2


assign (resid 51 and name HA) (resid 54 and name HB1) 1.8 0.0 1.7   !0609

assign (resid 51 and name HA) (resid 54 and name HB2) 1.8 0.0 1.7   !0609



!ASN52

!intra

assign (resid 52 and name HB#) (resid 52 and name HN) 1.8 0.0 1.1

assign (resid 52 and name HB#) (resid 52 and name HA) 1.8 0.0 1.1   !0609

!inter

assign (resid 52 and name HN) (resid 54 and name HN) 1.8 0.0 3.2    

assign (resid 52 and name HN) (resid 75 and name HG2#) 1.8 0.0 3.2  



assign (resid 52 and name HA) (resid 53 and name HN) 1.8 0.0 1.7

assign (resid 52 and name HA) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 52 and name HA) (resid 55 and name HB1) 1.8 0.0 3.2
assign (resid 52 and name HA) (resid 55 and name HB2) 1.8 0.0 3.2

assign (resid 52 and name HA) (resid 75 and name HD1#) 1.8 0.0 3.2

assign (resid 52 and name HA) (resid 75 and name HG2#) 1.8 0.0 3.2

assign (resid 52 and name HA) (resid 78 and name HB) 1.8 0.0 3.2




assign (resid 52 and name HB#) (resid 53 and name HG1#) 1.8 0.0 3.2

assign (resid 52 and name HB#) (resid 75 and name HG2#) 1.8 0.0 3.2

assign (resid 52 and name HB#) (resid 78 and name HA) 1.8 0.0 3.2

assign (resid 52 and name HB#) (resid 78 and name HA) 1.8 0.0 3.2  !new

assign (resid 52 and name HB#) (resid 78 and name HB) 1.8 0.0 3.2

assign (resid 52 and name HD21) (resid 41 and name HN) 1.8 0.0 3.2
assign (resid 52 and name HD22) (resid 41 and name HN) 1.8 0.0 3.2


assign (resid 52 and name HD2#) (resid 75 and name HD1#) 1.8 0.0 3.2

assign (resid 52 and name HD2#) (resid 59 and name HE1) 1.8 0.0 3.2

assign (resid 52 and (name HD21 or name HD22)) (resid 104 and name HAD1) 1.8 0.0 1.7  !0609

assign (resid 52 and (name HD21 or name HD22)) (resid 104 and name HAD2) 1.8 0.0 1.7  !0609


!ILE53

!intra

assign (resid 53 and name HA) (resid 53 and name HN) 1.8 0.0 3.2

assign (resid 53 and name HA) (resid 53 and name HD#) 1.8 0.0 3.2

assign (resid 53 and name HA) (resid 53 and name HG11) 1.8 0.0 1.7
assign (resid 53 and name HA) (resid 53 and name HG12) 1.8 0.0 1.7
assign (resid 53 and name HA) (resid 53 and name HG2#) 1.8 0.0 3.2 !0609

assign (resid 53 and name HB) (resid 53 and name HA) 1.8 0.0 1.1  !0609

assign (resid 53 and name HB) (resid 53 and name HG11) 1.8 0.0 1.7  !0609
assign (resid 53 and name HB) (resid 53 and name HG12) 1.8 0.0 1.7  !0609
assign (resid 53 and name HD1#) (resid 53 and name HB) 1.8 0.0 3.2  !0609
assign (resid 53 and name HD1#) (resid 53 and name HG11) 1.8 0.0 1.7  !0609
assign (resid 53 and name HD1#) (resid 53 and name HG12) 1.8 0.0 1.7  !0609

assign (resid 53 and name HB) (resid 53 and name HN) 1.8 0.0 1.1

assign (resid 53 and name HD1#) (resid 53 and name HN) 1.8 0.0 3.2

assign (resid 53 and name HG2#) (resid 53 and name HG1#) 1.8 0.0 1.1

assign (resid 53 and name HG2#) (resid 53 and name HN) 1.8 0.0 3.2

assign (resid 53 and name HG11) (resid 53 and name HN) 1.8 0.0 3.2
assign (resid 53 and name HG12) (resid 53 and name HN) 1.8 0.0 3.2


!inter

assign (resid 53 and name HA) (resid 55 and name HN) 1.8 0.0 3.2  

assign (resid 53 and name HB) (resid 54 and name HN) 1.8 0.0 1.1

assign (resid 53 and name HG1#) (resid 52 and name HD22) 1.8 0.0 3.2   ! 0614cao

assign (resid 53 and name HG1#) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 53 and name HG2#) (resid 54 and name HA) 1.8 0.0 1.7

assign (resid 53 and name HG2#) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 53 and name HN) (resid 52 and name HN) 1.8 0.0 3.2









!LYS54

!intra

assign (resid 54 and name HA) (resid 54 and name HB1) 1.8 0.0 1.1
assign (resid 54 and name HA) (resid 54 and name HB2) 1.8 0.0 1.1

assign (resid 54 and name HB1) (resid 54 and name HN) 1.8 0.0 1.7
assign (resid 54 and name HB2) (resid 54 and name HN) 1.8 0.0 1.7
assign (resid 54 and name HB1) (resid 54 and name HG#) 1.8 0.0 1.7  !0609
assign (resid 54 and name HB2) (resid 54 and name HG#) 1.8 0.0 1.7  !0609

assign (resid 54 and name HG#) (resid 54 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HG#) (resid 54 and name HA) 1.8 0.0 3.2

assign (resid 54 and name HA) (resid 54 and name HN) 1.8 0.0 3.2

!inter

assign (resid 54 and name HN) (resid 53 and name HN) 1.8 0.0 1.1

assign (resid 54 and name HA) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HB1) (resid 55 and name HN) 1.8 0.0 1.7
assign (resid 54 and name HB2) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 54 and name HG#) (resid 55 and name HN) 1.8 0.0 1.7







!LYS55

!intra

assign (resid 55 and name HA) (resid 55 and name HN) 1.8 0.0 1.7

assign (resid 55 and name HB1) (resid 55 and name HN) 1.8 0.0 1.7
assign (resid 55 and name HB2) (resid 55 and name HN) 1.8 0.0 3.2
assign (resid 55 and name HB1) (resid 55 and name HA) 1.8 0.0 1.7  !0609
assign (resid 55 and name HB2) (resid 55 and name HA) 1.8 0.0 3.2  !0609

assign (resid 55 and name HB1) (resid 55 and name HG#) 1.8 0.0 1.7  !0609
assign (resid 55 and name HB2) (resid 55 and name HG#) 1.8 0.0 3.2  !0609
assign (resid 55 and name HG#) (resid 55 and name HN) 1.8 0.0 3.2

assign (resid 55 and name HG#) (resid 55 and name HA) 1.8 0.0 3.2


!inter

assign (resid 55 and name HN) (resid 53 and name HN) 1.8 0.0 3.2

assign (resid 55 and name HB1) (resid 75 and name HA) 1.8 0.0 3.2
assign (resid 55 and name HB2) (resid 75 and name HA) 1.8 0.0 3.2





!ASN56

!intra

assign (resid 56 and name HB#) (resid 56 and name HN) 1.8 0.0 1.7

assign (resid 56 and name HA) (resid 56 and name HB2) 1.8 0.0 1.7

assign (resid 56 and name HA) (resid 56 and name HN) 1.8 0.0 1.7

!inter

assign (resid 56 and name HA) (resid 40 and name HN) 1.8 0.0 3.2

!assign (resid 56 and name HA) (resid 39 and name HD1) 1.8 0.0 4.2







!VAL57

!intra

assign (resid 57 and name HA) (resid 57 and name HB) 1.8 0.0 1.1

assign (resid 57 and name HA) (resid 57 and (name HG1# or name HG2#)) 1.8 0.0 1.1

assign (resid 57 and name HA) (resid 57 and name HN) 1.8 0.0 1.1

assign (resid 57 and name HB) (resid 57 and name HG1#) 1.8 0.0 1.7
assign (resid 57 and name HB) (resid 57 and name HG2#) 1.8 0.0 1.7

assign (resid 57 and name HB) (resid 57 and name HN) 1.8 0.0 1.7

assign (resid 57 and name HG1#) (resid 57 and name HN) 1.8 0.0 3.2
assign (resid 57 and name HG2#) (resid 57 and name HN) 1.8 0.0 3.2

!inter

assign (resid 57 and name HA) (resid 39 and name HD1) 1.8 0.0 4.2

assign (resid 57 and name HA) (resid 58 and name HN) 1.8 0.0 1.7

assign (resid 57 and name HB) (resid 58 and name HN) 1.8 0.0 3.2

assign (resid 57 and name HB) (resid 59 and name HZ2) 1.8 0.0 3.2

assign (resid 57 and name HG1#) (resid 58 and name HN) 1.8 0.0 3.2
assign (resid 57 and name HG2#) (resid 58 and name HN) 1.8 0.0 3.2


assign (resid 57 and (name HG1# or name HG2#)) (resid 59 and name HE3) 1.8 0.0 3.2

assign (resid 57 and (name HG1# or name HG2#)) (resid 59 and name HZ3) 1.8 0.0 3.2

assign (resid 57 and (name HG1# or name HG2#)) (resid 74 and name HE#) 1.8 0.0 3.2

assign (resid 57 and (name HG1# or name HG2#)) (resid 75 and name HD1#) 1.8 0.0 3.2

assign (resid 57 and name HG1#) (resid 40 and name HN) 1.8 0.0 3.2
assign (resid 57 and name HG2#) (resid 40 and name HN) 1.8 0.0 3.2 

! assign (resid 57 and (name HG1# or name HG2#)) (resid 75 and name HB) 1.8 0.0 3.2

assign (resid 57 and (name HG2# or name HG1#)) (resid 63 and name HD2#) 1.8 0.0 1.7

assign (resid 57 and name HN) (resid 40 and name HN) 1.8 0.0 3.2









!LEU58

!intra
assign (resid 58 and name HA) (resid 58 and name HN) 1.8 0.0 1.1

assign (resid 58 and name HA) (resid 58 and name HD1#) 1.8 0.0 3.2
assign (resid 58 and name HA) (resid 58 and name HD2#) 1.8 0.0 3.2

assign (resid 58 and name HB#) (resid 58 and name HD1#) 1.8 0.0 1.7
assign (resid 58 and name HB#) (resid 58 and name HD2#) 1.8 0.0 1.7

assign (resid 58 and name HB1) (resid 58 and name HN) 1.8 0.0 1.7
assign (resid 58 and name HB2) (resid 58 and name HN) 1.8 0.0 1.7

assign (resid 58 and (name HD2# or name HD1#)) (resid 58 and name HN) 1.8 0.0 3.2

assign (resid 58 and name HG) (resid 58 and name HN) 1.8 0.0 3.2
assign (resid 58 and name HB1) (resid 58 and name HA) 1.8 0.0 1.7  !0609
assign (resid 58 and name HB2) (resid 58 and name HA) 1.8 0.0 1.7  !0609
assign (resid 58 and name HA) (resid 58 and name HG) 1.8 0.0 3.2   !0609
assign (resid 58 and name HG) (resid 58 and name HD1#) 1.8 0.0 1.7  !0609
assign (resid 58 and name HG) (resid 58 and name HD2#) 1.8 0.0 1.7  !0609

!inter

assign (resid 58 and name HN) (resid 39 and name HD1) 1.8 0.0 3.2

assign (resid 58 and name HN) (resid 57 and name HN) 1.8 0.0 3.2

assign (resid 58 and name HA) (resid 59 and name HN) 1.8 0.0 3.2

assign (resid 58 and name HB#) (resid 39 and name HD1) 1.8 0.0 3.2

assign (resid 58 and name HB#) (resid 39 and name HE1) 1.8 0.0 3.2

assign (resid 58 and name HB#) (resid 59 and name HN) 1.8 0.0 3.2

!assign (resid 58 and name HB#) (resid 59 and name HE1) 1.8 0.0 4.2   ! 0614cao

!assign (resid 58 and name HB#) (resid 59 and name HE3) 1.8 0.0 3.2   ! 0614cao

assign (resid 58 and name HG) (resid 59 and name HE3) 1.8 0.0 4.2   ! 0614cao

assign (resid 58 and name HB#) (resid 59 and name HD1) 1.8 0.0 4.5

assign (resid 58 and name HG) (resid 59 and name HN) 1.8 0.0 3.2

assign (resid 58 and name HG) (resid 60 and name HN) 1.8 0.0 3.2   ! 0614cao

assign (resid 58 and (name HD2# or name HD1#)) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 58 and (name HD1# or name HD2#)) (resid 38 and name HN) 1.8 0.0 1.7

assign (resid 58 and (name HD1# or name HD2#)) (resid 39 and name HN) 1.8 0.0 3.2

assign (resid 58 and name HD1#) (resid 59 and name HN) 1.8 0.0 3.2
assign (resid 58 and name HD2#) (resid 59 and name HN) 1.8 0.0 3.2

assign (resid 58 and name HD1#) (resid 39 and name HD1) 1.8 0.0 3.2
assign (resid 58 and name HD2#) (resid 39 and name HD1) 1.8 0.0 3.2

assign (resid 58 and name HD1#) (resid 39 and name HE1) 1.8 0.0 3.2
assign (resid 58 and name HD2#) (resid 39 and name HE1) 1.8 0.0 3.2

assign (resid 58 and name HG) (resid 59 and (name HD1 or name HZ2)) 1.8 0.0 4.2

assign (resid 58 and (name HD1# or name HD2#)) (resid 59 and (name HD1 or name HZ2)) 1.8 0.0 3.2

assign (resid 58 and (name HD1# or name HD2#)) (resid 59 and name HE3) 1.8 0.0 4.2

assign (resid 58 and (name HD1# or name HD2#)) (resid 63 and name HD2#) 1.8 0.0 3.2







!TRP59

!intra

assign (resid 59 and name HB1) (resid 59 and name HD1) 1.8 0.0 3.2
assign (resid 59 and name HB2) (resid 59 and name HD1) 1.8 0.0 1.7

assign (resid 59 and name HA) (resid 59 and name HD1) 1.8 0.0 3.2   !new

assign (resid 59 and name HA) (resid 59 and name HH2) 1.8 0.0 4.2   !new


assign (resid 59 and name HB1) (resid 59 and name HA) 1.8 0.0 1.7  !0609
assign (resid 59 and name HB2) (resid 59 and name HA) 1.8 0.0 1.7  !0609

assign (resid 59 and name HB1) (resid 59 and name HN) 1.8 0.0 1.7
assign (resid 59 and name HB2) (resid 59 and name HN) 1.8 0.0 1.7

assign (resid 59 and name HD1) (resid 59 and name HN) 1.8 0.0 3.2

assign (resid 59 and name HB#) (resid 59 and name HE1) 1.8 0.0 3.2

!inter

assign (resid 59 and name HN) (resid 58 and name HN) 1.8 0.0 3.2

assign (resid 59 and name HB1) (resid 37 and name HN) 1.8 0.0 3.2
assign (resid 59 and name HB2) (resid 37 and name HN) 1.8 0.0 3.2

assign (resid 59 and name HB#) (resid 38 and name HN) 1.8 0.0 3.2

assign (resid 59 and name HB#) (resid 60 and name HN) 1.8 0.0 3.2

assign (resid 59 and name HB#) (resid 63 and name HD2#) 1.8 0.0 3.2

assign (resid 59 and name HD1) (resid 38 and name HN) 1.8 0.0 1.7

assign (resid 59 and name HE1) (resid 52 and name HD2#) 1.8 0.0 3.2

assign (resid 59 and name HE3) (resid 64 and name HN) 1.8 0.0 3.2  !new

!assign (resid 59 and name HE3) (resid 74 and (name HB1 or name HB2)) 1.8 0.0 4.2  !0609

assign (resid 59 and name HE3) (resid 64 and name HA) 1.8 0.0 3.2  !new

assign (resid 59 and name HE3) (resid 64 and (name HB1 or name HB2)) 1.8 0.0 3.2  !new

assign (resid 59 and name HE3) (resid 64 and name HE#) 1.8 0.0 3.2  !new

assign (resid 59 and name HH2) (resid 64 and name HA) 1.8 0.0 3.2  !new

assign (resid 59 and name HZ2) (resid 64 and name HA) 1.8 0.0 4.2  !new

assign (resid 59 and name HZ2) (resid 64 and name HG#) 1.8 0.0 4.2  !new

assign (resid 59 and name HZ2) (resid 64 and name HE#) 1.8 0.0 3.2  !new

assign (resid 59 and name HZ2) (resid 67 and name HB#) 1.8 0.0 3.2  !new

assign (resid 59 and name HH2) (resid 75 and name HD1#) 1.8 0.0 3.2  !new

assign (resid 59 and name HZ3) (resid 64 and name HA) 1.8 0.0 3.2  !new

assign (resid 59 and name HZ3) (resid 64 and name HB1) 1.8 0.0 3.2  !new
assign (resid 59 and name HZ3) (resid 64 and name HB2) 1.8 0.0 3.2  !new

assign (resid 59 and name HZ3) (resid 64 and name HG1) 1.8 0.0 3.2  !new
assign (resid 59 and name HZ3) (resid 64 and name HG2) 1.8 0.0 3.2  !new

assign (resid 59 and name HZ3) (resid 67 and name HB1) 1.8 0.0 3.2  !new
assign (resid 59 and name HZ3) (resid 67 and name HB2) 1.8 0.0 3.2  !new


assign (resid 59 and name HH2) (resid 64 and name HA) 1.8 0.0 3.2  !new

assign (resid 59 and name HH2) (resid 67 and name HB#) 1.8 0.0 3.2  !new





!ASP60

!intra

assign (resid 60 and name HB1) (resid 60 and name HN) 1.8 0.0 1.7   !0609
assign (resid 60 and name HB2) (resid 60 and name HN) 1.8 0.0 1.7   !0609 
assign (resid 60 and name HB1) (resid 60 and name HA) 1.8 0.0 1.7   !0609
assign (resid 60 and name HB2) (resid 60 and name HA) 1.8 0.0 1.7   !0609 


!inter


assign (resid 60 and name HN) (resid 62 and name HN) 1.8 0.0 3.2

assign (resid 60 and name HN) (resid 59 and name HE3) 1.8 0.0 3.2

assign (resid 60 and name HN) (resid 63 and name HD2#) 1.8 0.0 3.2

assign (resid 60 and name HB1) (resid 61 and name HN) 1.8 0.0 3.2
assign (resid 60 and name HB2) (resid 61 and name HN) 1.8 0.0 3.2


assign (resid 60 and name HN) (resid 63 and name HN) 1.8 0.0 1.7  !0609




!GLU61

!intra

!assign (resid 61 and name HA) (resid 61 and name HB1) 1.8 0.0 1.1
!assign (resid 61 and name HA) (resid 61 and name HB2) 1.8 0.0 1.1

assign (resid 61 and name HA) (resid 61 and name HG#) 1.8 0.0 1.7

assign (resid 61 and name HA) (resid 61 and name HN) 1.8 0.0 1.7

assign (resid 61 and name HB1) (resid 61 and name HN) 1.8 0.0 3.2
assign (resid 61 and name HB2) (resid 61 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HG#) (resid 61 and name HN) 1.8 0.0 3.2
assign (resid 61 and name HB1) (resid 61 and name HA) 1.8 0.0 1.7   !0609
assign (resid 61 and name HB2) (resid 61 and name HA) 1.8 0.0 1.7   !0609
assign (resid 61 and name HB1) (resid 61 and name HG#) 1.8 0.0 3.2   !0609
assign (resid 61 and name HB2) (resid 61 and name HG#) 1.8 0.0 3.2   !0609



!inter

assign (resid 61 and name HN) (resid 95 and name HG2#) 1.8 0.0 4.2   !new

assign (resid 61 and name HA) (resid 62 and name HB#) 1.8 0.0 4.2

assign (resid 61 and name HA) (resid 62 and name HN) 1.8 0.0 1.7

assign (resid 61 and name HA) (resid 64 and name HB#) 1.8 0.0 3.2

assign (resid 61 and name HA) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HA) (resid 65 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HA) (resid 64 and name HB1) 1.8 0.0 3.2
assign (resid 61 and name HA) (resid 64 and name HB2) 1.8 0.0 3.2

assign (resid 61 and name HA) (resid 64 and name HG#) 1.8 0.0 4.2   

assign (resid 61 and name HA) (resid 95 and name HG2#) 1.8 0.0 3.2  

assign (resid 61 and name HB1) (resid 62 and name HN) 1.8 0.0 3.2
assign (resid 61 and name HB2) (resid 62 and name HN) 1.8 0.0 3.2

assign (resid 61 and name HB#) (resid 64 and name HG#) 1.8 0.0 4.2

assign (resid 61 and name HB1) (resid 95 and name HG2#) 1.8 0.0 3.2
assign (resid 61 and name HB2) (resid 95 and name HG2#) 1.8 0.0 3.2

assign (resid 61 and name HG#) (resid 36 and name HD#) 1.8 0.0 1.7

assign (resid 61 and name HG#) (resid 60 and name HN) 1.8 0.0 4.2

assign (resid 61 and name HG#) (resid 95 and name HG2#) 1.8 0.0 4.2







!ASN62

!intra

assign (resid 62 and name HA) (resid 62 and name HD2#) 1.8 0.0 3.2

assign (resid 62 and name HB1) (resid 62 and name HD21) 1.8 0.0 3.2
assign (resid 62 and name HB1) (resid 62 and name HD22) 1.8 0.0 3.2
assign (resid 62 and name HB2) (resid 62 and name HD21) 1.8 0.0 3.2
assign (resid 62 and name HB2) (resid 62 and name HD22) 1.8 0.0 3.2

assign (resid 62 and name HB1) (resid 62 and name HN) 1.8 0.0 3.2
assign (resid 62 and name HB2) (resid 62 and name HN) 1.8 0.0 3.2

assign (resid 62 and name HD21) (resid 62 and name HD22) 1.8 0.0 1.1
assign (resid 62 and name HA) (resid 62 and name HB2) 1.8 0.0 3.2
assign (resid 62 and name HA) (resid 62 and name HB1) 1.8 0.0 3.2
assign (resid 62 and name HA) (resid 62 and name HN) 1.8 0.0 3.2

!inter

assign (resid 62 and name HA) (resid 63 and name HN) 1.8 0.0 3.2

assign (resid 62 and name HA) (resid 64 and name HN) 1.8 0.0 3.2

assign (resid 62 and name HA) (resid 65 and name HN) 1.8 0.0 3.2

assign (resid 62 and name HA) (resid 65 and name HB#) 1.8 0.0 3.2

assign (resid 62 and name HA) (resid 66 and name HN) 1.8 0.0 3.2 ! ol w/65hn

assign (resid 62 and name HB1) (resid 63 and name HN) 1.8 0.0 3.2
assign (resid 62 and name HB2) (resid 63 and name HN) 1.8 0.0 3.2

assign (resid 62 and name HN) (resid 61 and name HN) 1.8 0.0 3.2







!ASN63

!intra

assign (resid 63 and name HB1) (resid 63 and name HD21) 1.8 0.0 3.2
assign (resid 63 and name HB1) (resid 63 and name HD22) 1.8 0.0 3.2
assign (resid 63 and name HB2) (resid 63 and name HD21) 1.8 0.0 3.2
assign (resid 63 and name HB2) (resid 63 and name HD22) 1.8 0.0 3.2

assign (resid 63 and name HB1) (resid 63 and name HN) 1.8 0.0 1.7
assign (resid 63 and name HB2) (resid 63 and name HN) 1.8 0.0 1.7

assign (resid 63 and name HD22) (resid 63 and name HD21) 1.8 0.0 1.1
assign (resid 63 and name HA) (resid 63 and name HB1) 1.8 0.0 3.2
assign (resid 63 and name HA) (resid 63 and name HB2) 1.8 0.0 3.2

assign (resid 63 and name HA) (resid 63 and name HN) 1.8 0.0 3.2  !0609

!inter

assign (resid 63 and name HN) (resid 61 and name HN) 1.8 0.0 3.2
assign (resid 63 and name HN) (resid 65 and name HN) 1.8 0.0 3.2  !0609

assign (resid 63 and name HN) (resid 62 and name HN) 1.8 0.0 1.1

assign (resid 63 and name HA) (resid 64 and name HN) 1.8 0.0 1.7

assign (resid 63 and name HA) (resid 65 and name HN) 1.8 0.0 3.2

assign (resid 63 and name HA) (resid 66 and name HB#) 1.8 0.0 3.2

assign (resid 63 and name HA) (resid 66 and name HN) 1.8 0.0 3.2

assign (resid 63 and name HA) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 63 and name HB#) (resid 59 and name HE3) 1.8 0.0 3.2

assign (resid 63 and name HB1) (resid 60 and name HN) 1.8 0.0 3.2  
assign (resid 63 and name HB2) (resid 60 and name HN) 1.8 0.0 3.2

assign (resid 63 and name HB#) (resid 62 and name HN) 1.8 0.0 3.2 

assign (resid 63 and name HB#) (resid 64 and name HA) 1.8 0.0 3.2  

assign (resid 63 and name HB#) (resid 64 and name HN) 1.8 0.0 3.2







!MET64

!intra

assign (resid 64 and name HA) (resid 64 and name HN) 1.8 0.0 1.7

assign (resid 64 and name HB1) (resid 64 and name HN) 1.8 0.0 1.7
assign (resid 64 and name HB2) (resid 64 and name HN) 1.8 0.0 1.7

assign (resid 64 and name HB1) (resid 64 and name HA) 1.8 0.0 1.7   !0609
assign (resid 64 and name HB2) (resid 64 and name HA) 1.8 0.0 1.7   !0609

assign (resid 64 and name HE#) (resid 64 and name HN) 1.8 0.0 3.2  !new

assign (resid 64 and name HG#) (resid 64 and name HN) 1.8 0.0 1.7  !new
assign (resid 64 and name HE#) (resid 64 and (name HB1 or name HB2)) 1.8 0.0 3.2  !0609

assign (resid 64 and name HG#) (resid 64 and (name HB1 or name HB2)) 1.8 0.0 1.7  !0609

!inter

assign (resid 64 and name HN) (resid 59 and name HE3) 1.8 0.0 3.2

assign (resid 64 and name HN) (resid 62 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HN) (resid 63 and name HN) 1.8 0.0 1.1

assign (resid 64 and name HN) (resid 65 and name HN) 1.8 0.0 1.7

assign (resid 64 and name HN) (resid 66 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HA) (resid 59 and name HE3) 1.8 0.0 3.2

assign (resid 64 and name HA) (resid 59 and name HZ2) 1.8 0.0 4.2  

assign (resid 64 and name HA) (resid 65 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HA) (resid 66 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HA) (resid 67 and name HB1) 1.8 0.0 3.2
assign (resid 64 and name HA) (resid 67 and name HB2) 1.8 0.0 3.2

assign (resid 64 and name HA) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HA) (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 64 and name HB1) (resid 59 and name HE3) 1.8 0.0 3.2
assign (resid 64 and name HB2) (resid 59 and name HE3) 1.8 0.0 3.2

! assign (resid 64 and name HB#) (resid 59 and name HZ2) 1.8 0.0 4.2 

assign (resid 64 and name HB#) (resid 95 and name HD1#) 1.8 0.0 3.2

assign (resid 64 and name HB#) (resid 95 and name HG1#) 1.8 0.0 3.2

assign (resid 64 and name HB#) (resid 95 and name HG2#) 1.8 0.0 3.2

assign (resid 64 and name HG1) (resid 59 and name HE3) 1.8 0.0 3.2
assign (resid 64 and name HG2) (resid 59 and name HE3) 1.8 0.0 3.2

assign (resid 64 and name HG#) (resid 59 and name HE1) 1.8 0.0 4.2  

!assign (resid 64 and name HG#) (resid 59 and name HZ2) 1.8 0.0 3.2  !repeat

assign (resid 64 and name HG#) (resid 65 and name HN) 1.8 0.0 3.2    !new 
 
assign (resid 64 and name HE#) (resid 67 and name HB1) 1.8 0.0 3.2    !0609 
assign (resid 64 and name HE#) (resid 67 and name HB2) 1.8 0.0 3.2    !0609 
assign (resid 64 and name HE#) (resid 68 and name HN) 1.8 0.0 3.2    !0609 
assign (resid 64 and name HE#) (resid 68 and name HG) 1.8 0.0 3.2    !0609 
assign (resid 64 and name HE#) (resid 36 and name HE#) 1.8 0.0 1.7    !0609 

assign (resid 64 and name HE#) (resid 36 and name HZ) 1.8 0.0 1.7    !0609 
assign (resid 64 and name HE#) (resid 36 and name HD#) 1.8 0.0 1.7    !0609 

assign (resid 64 and name HE#) (resid 94 and name HD1#) 1.8 0.0 4.2   !0609 

assign (resid 64 and name HE#) (resid 94 and name HD2#) 1.8 0.0 4.2   !0609 
assign (resid 64 and name HE#) (resid 104 and name HMA#) 1.8 0.0 1.7   !0609 
assign (resid 64 and name HE#) (resid 68 and name HG) 1.8 0.0 3.2   !0609 

!SER65

!intra

assign (resid 65 and name HA) (resid 65 and name HN) 1.8 0.0 1.1

assign (resid 65 and name HB#) (resid 65 and name HN) 1.8 0.0 1.7

assign (resid 65 and name HA) (resid 65 and name HB#) 1.8 0.0 1.7   !0609


!inter

assign (resid 65 and name HN) (resid 66 and name HN) 1.8 0.0 1.1 ! ol w/ 65hn

assign (resid 65 and name HN) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 65 and name HA) (resid 66 and name HN) 1.8 0.0 3.2

assign (resid 65 and name HA) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 65 and name HA) (resid 68 and name HB#) 1.8 0.0 3.2

assign (resid 65 and name HA) (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 65 and name HA) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 65 and name HA) (resid 95 and name HG1#) 1.8 0.0 3.2  

assign (resid 65 and name HB#) (resid 95 and name HD1#) 1.8 0.0 3.2 

assign (resid 65 and name HB#) (resid 66 and name HN) 1.8 0.0 1.7










!GLU66

!intra

assign (resid 66 and name HG1) (resid 66 and name HN) 1.8 0.0 1.7
assign (resid 66 and name HG2) (resid 66 and name HN) 1.8 0.0 1.7

assign (resid 66 and name HA) (resid 66 and name HN) 1.8 0.0 1.7

assign (resid 66 and name HB#) (resid 66 and name HN) 1.8 0.0 1.7

!inter

assign (resid 66 and name HA) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 66 and name HA) (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 66 and name HA) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 66 and name HA) (resid 70 and name HN) 1.8 0.0 4.2

assign (resid 66 and name HA) (resid 69 and name HB) 1.8 0.0 3.2

assign (resid 66 and name HA) (resid 69 and name HG2#) 1.8 0.0 3.2

assign (resid 66 and name HB#) (resid 67 and name HN) 1.8 0.0 1.7

assign (resid 66 and name HG#) (resid 74 and name HD#) 1.8 0.0 3.2
assign (resid 66 and name HG#) (resid 74 and name HE#) 1.8 0.0 3.2







!TYR67

!intra

assign (resid 67 and name HA) (resid 67 and name HN) 1.8 0.0 1.7

assign (resid 67 and name HA) (resid 67 and name HB1) 1.8 0.0 3.2
assign (resid 67 and name HA) (resid 67 and name HB2) 1.8 0.0 3.2

assign (resid 67 and name HB1) (resid 67 and name HN) 1.8 0.0 3.2
assign (resid 67 and name HB2) (resid 67 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HB1) (resid 67 and name HD#) 1.8 0.0 1.1
assign (resid 67 and name HB2) (resid 67 and name HD#) 1.8 0.0 1.1

assign (resid 67 and name HN) (resid 67 and name HD#) 1.8 0.0 3.2   !0609

assign (resid 67 and name HE#) (resid 67 and name HD#) 1.8 0.0 1.7  !0609 

!inter

assign (resid 67 and name HA) (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HA) (resid 69 and name HN) 1.8 0.0 3.2

!assign (resid 67 and name HB#) (resid 64 and name HN) 1.8 0.0 1.7  ! wrong

assign (resid 67 and name HB#) (resid 68 and name HN) 1.8 0.0 1.7

assign (resid 67 and name HB1) (resid 59 and name HZ2) 1.8 0.0 4.2 
assign (resid 67 and name HB2) (resid 59 and name HZ2) 1.8 0.0 3.2

assign (resid 67 and name HN) (resid 66 and name HN) 1.8 0.0 3.2  

assign (resid 67 and name HN) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 67 and name HA) (resid 74 and name HD#) 1.8 0.0 3.2

assign (resid 67 and name HD#) (resid 68 and name HD1#) 1.8 0.0 3.2
assign (resid 67 and name HD#) (resid 68 and name HD2#) 1.8 0.0 3.2 !0609

assign (resid 67 and name HD#) (resid 75 and name HG2#) 1.8 0.0 3.2  !0609

assign (resid 67 and name HE#) (resid 68 and (name HD1# or name HD2#)) 1.8 0.0 3.2  !0609


!LEU68

!intra


assign (resid 68 and name HA) (resid 68 and name HG) 1.8 0.0 1.7

assign (resid 68 and name HA) (resid 68 and name HN) 1.8 0.0 1.1

!assign (resid 68 and name HB#) (resid 68 and (name HD1# or name HD2#)) 1.8 0.0 1.1

assign (resid 68 and name HB1) (resid 68 and name HN) 1.8 0.0 1.7
assign (resid 68 and name HB2) (resid 68 and name HN) 1.8 0.0 1.7

assign (resid 68 and name HG) (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 68 and name HD1#) (resid 68 and name HN) 1.8 0.0 3.2

assign (resid 68 and name HD2#) (resid 68 and name HN) 1.8 0.0 3.2 !0609

assign (resid 68 and name HB1) (resid 68 and name HA) 1.8 0.0 1.7  !0609
assign (resid 68 and name HB2) (resid 68 and name HA) 1.8 0.0 1.7   !0609
assign (resid 68 and name HB1) (resid 68 and name HG) 1.8 0.0 1.7  !0609
assign (resid 68 and name HB2) (resid 68 and name HG) 1.8 0.0 1.7   !0609

assign (resid 68 and name HB1) (resid 68 and name HD1#) 1.8 0.0 1.7  !0609
assign (resid 68 and name HB2) (resid 68 and name HD1#) 1.8 0.0 1.7   !0609
assign (resid 68 and name HB1) (resid 68 and name HD2#) 1.8 0.0 1.7  !0609
assign (resid 68 and name HB2) (resid 68 and name HD2#) 1.8 0.0 1.7   !0609
assign (resid 68 and name HG) (resid 68 and name HD2#) 1.8 0.0 1.7  !0609
assign (resid 68 and name HG) (resid 68 and name HD2#) 1.8 0.0 1.7   !0609


!inter

assign (resid 68 and name HN) (resid 67 and name HN) 1.8 0.0 1.7

assign (resid 68 and name HA) (resid 69 and name HN) 1.8 0.0 1.7

assign (resid 68 and name HB1) (resid 69 and name HN) 1.8 0.0 3.2
assign (resid 68 and name HB2) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 68 and name HB#) (resid 85 and name HB#) 1.8 0.0 3.2

assign (resid 68 and name HB#) (resid 85 and name HN) 1.8 0.0 4.2

assign (resid 68 and name HG) (resid 69 and name HN) 1.8 0.0 3.2   ! 0614cao

assign (resid 68 and (name HD1# or name HD2#)) (resid 69 and name HN) 1.8 0.0 3.2

assign (resid 68 and name HD1#) (resid 94 and name HD1#) 1.8 0.0 3.2  !0609
assign (resid 68 and name HD1#) (resid 94 and name HD2#) 1.8 0.0 3.2  !0609

assign (resid 68 and name HD2#) (resid 94 and name HD1#) 1.8 0.0 3.2  !0609
assign (resid 68 and name HD2#) (resid 94 and name HD2#) 1.8 0.0 3.2  !0609

assign (resid 68 and (name HD1# or name HD2#)) (resid 95 and name HG1#) 1.8 0.0 3.2

assign (resid 68 and (name HD1# or name HD2#)) (resid 95 and name HD1#) 1.8 0.0 1.7

assign (resid 68 and (name HD1# or name HD2#)) (resid 85 and name HG) 1.8 0.0 3.2   !0609

assign (resid 68 and (name HD1# or name HD2#)) (resid 85 and name HD#) 1.8 0.0 3.2   !0609





!THR69


!intra

assign (resid 69 and name HA) (resid 69 and name HN) 1.8 0.0 3.2
assign (resid 69 and name HA) (resid 69 and name HB) 1.8 0.0 3.2  !0609

assign (resid 69 and name HB) (resid 69 and name HN) 1.8 0.0 1.7

assign (resid 69 and name HG2#) (resid 69 and name HN) 1.8 0.0 1.7

assign (resid 69 and name HA) (resid 69 and name HG2#) 1.8 0.0 3.2  !0609

assign (resid 69 and name HB) (resid 69 and name HG2#) 1.8 0.0 1.7  !0609


!inter

assign (resid 69 and name HN) (resid 68 and name HN) 1.8 0.0 1.1

assign (resid 69 and name HA) (resid 70 and name HB#) 1.8 0.0 4.2

assign (resid 69 and name HA) (resid 70 and name HN) 1.8 0.0 1.7

assign (resid 69 and name HA) (resid 85 and name HN) 1.8 0.0 3.2

assign (resid 69 and name HB) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 69 and name HG2#) (resid 70 and name HB#) 1.8 0.0 3.2

assign (resid 69 and name HG2#) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 69 and name HG2#) (resid 86 and name HA) 1.8 0.0 3.2







!ASN70

!intraat

assign (resid 70 and name HB1) (resid 70 and name HD21) 1.8 0.0 3.2
assign (resid 70 and name HB1) (resid 70 and name HD22) 1.8 0.0 3.2
assign (resid 70 and name HB2) (resid 70 and name HD21) 1.8 0.0 3.2
assign (resid 70 and name HB2) (resid 70 and name HD22) 1.8 0.0 3.2

assign (resid 70 and name HD21) (resid 70 and name HD22) 1.8 0.0 1.1

assign (resid 70 and name HB2) (resid 70 and name HN) 1.8 0.0 3.2
assign (resid 70 and name HB1) (resid 70 and name HN) 1.8 0.0 3.2

assign (resid 70 and name HB2) (resid 70 and name HA) 1.8 0.0 1.7  !0609
assign (resid 70 and name HB1) (resid 70 and name HA) 1.8 0.0 1.7   !0609
!inter

assign (resid 70 and name HN) (resid 69 and name HN) 1.8 0.0 1.7

assign (resid 70 and name HB#) (resid 72 and name HN) 1.8 0.0 4.2

assign (resid 70 and name HB2) (resid 71 and name HA) 1.8 0.0 4.2   !0609
assign (resid 70 and name HB1) (resid 71 and name HA) 1.8 0.0 4.2    !0609







!HIS71

!intra

assign (resid 71 and name HA) (resid 71 and name HD1) 1.8 0.0 3.2

assign (resid 71 and name HB1) (resid 71 and name HD1) 1.8 0.0 3.2
assign (resid 71 and name HB2) (resid 71 and name HD1) 1.8 0.0 3.2


assign (resid 71 and name HD2) (resid 71 and name HB1) 1.8 0.0 3.2
assign (resid 71 and name HD2) (resid 71 and name HB2) 1.8 0.0 3.2

assign (resid 71 and name HB1) (resid 71 and name HA) 1.8 0.0 1.7   !0609
assign (resid 71 and name HB2) (resid 71 and name HA) 1.8 0.0 1.7   !0609


!inter

! assign (resid 71 and name HB#) (resid 104 and name HB) 1.8 0.0 4.2  ! 091226

assign (resid 71 and (name HB1 or name HB2)) (resid 104 and (name HAA2 or name HAA1)) 1.8 0.0 4.2  ! new


assign (resid 71 and name HD2) (resid 104 and name HA) 1.8 0.0 4.2 
! paramagnetic spectrum

assign (resid 71 and name HD1) (resid 80 and name HA) 1.8 0.0 4.2 

assign (resid 71 and name HA) (resid 67 and name HD#) 1.8 0.0 3.2  !0609

assign (resid 71 and name HN) (resid 72 and name HN) 1.8 0.0 3.2  !0609

assign (resid 71 and name HB1) (resid 72 and name HN) 1.8 0.0 3.2  !0609
assign (resid 71 and name HB2) (resid 72 and name HN) 1.8 0.0 3.2  !0609





! M3L/A 72

! intra

assign (resid 72 and name HA) (resid 72 and name HN) 1.8 0.0 3.2   !0609
assign (resid 72 and name HB#) (resid 72 and name HN) 1.8 0.0 3.2   !0609
assign (resid 72 and name HB#) (resid 72 and name HA) 1.8 0.0 3.2   !0609
! inter

assign (resid 72 and name HB#) (resid 70 and name HD2#) 1.8 0.0 3.2

assign (resid 72 and name HB#) (resid 73 and name HN) 1.8 0.0 1.7

assign (resid 72 and name HN) (resid 78 and name HB) 1.8 0.0 4.2   !0609

assign (resid 72 and name HA) (resid 75 and name HB) 1.8 0.0 3.2   !0609

assign (resid 72 and name HB#) (resid 104 and name HAA2) 1.8 0.0 4.5  ! 0614cao

assign (resid 72 and name HA) (resid 75 and name HN) 1.8 0.0 3.2   !0609

assign (resid 72 and name HA) (resid 73 and name HN) 1.8 0.0 3.2  !0609





!LYS73

!intra

!inter

assign (resid 73 and name HN) (resid 74 and name HN) 1.8 0.0 3.2

assign (resid 73 and name HB#) (resid 74 and name HN) 1.8 0.0 3.2







!TYR74

!intra

assign (resid 74 and name HB1) (resid 74 and name HD#) 1.8 0.0 1.1
assign (resid 74 and name HB2) (resid 74 and name HD#) 1.8 0.0 1.1

assign (resid 74 and name HE#) (resid 74 and name HD#) 1.8 0.0 1.1

!inter

assign (resid 74 and name HB1) (resid 75 and name HN) 1.8 0.0 3.2
assign (resid 74 and name HB2) (resid 75 and name HN) 1.8 0.0 3.2

assign (resid 74 and name HN) (resid 75 and name HN) 1.8 0.0 3.2








!ILE75

!intra

assign (resid 75 and name HB) (resid 75 and name HN) 1.8 0.0 3.2

assign (resid 75 and name HB) (resid 75 and name HG2#) 1.8 0.0 1.1

assign (resid 75 and name HG1#) (resid 75 and name HN) 1.8 0.0 3.2

assign (resid 75 and name HG2#) (resid 75 and name HN) 1.8 0.0 3.2

assign (resid 75 and name HG2#) (resid 75 and name HD1#) 1.8 0.0 1.1

assign (resid 75 and name HD1#) (resid 75 and name HN) 1.8 0.0 3.2

assign (resid 75 and name HD1#) (resid 75 and name HB) 1.8 0.0 1.7   !0609
assign (resid 75 and name HB) (resid 75 and name HG1#) 1.8 0.0 1.1   !0609

!inter


assign (resid 75 and name HG1#) (resid 73 and name HN) 1.8 0.0 3.2

assign (resid 75 and name HG2#) (resid 52 and name HN) 1.8 0.0 3.2

assign (resid 75 and name HD1#) (resid 52 and name HD2#) 1.8 0.0 4.2

assign (resid 75 and name HB) (resid 78 and name HN) 1.8 0.0 4.2  !0609

assign (resid 75 and name HD1#) (resid 78 and name HN) 1.8 0.0 3.2  !0609

! pro76

!intra

assign (resid 76 and name HA) (resid 76 and name HB#) 1.8 0.0 1.7  !0609
assign (resid 76 and name HA) (resid 76 and name HG1) 1.8 0.0 3.2  !0609
assign (resid 76 and name HA) (resid 76 and name HG2) 1.8 0.0 3.2  !0609
assign (resid 76 and name HB#) (resid 76 and name HG1) 1.8 0.0 3.2  !0609
assign (resid 76 and name HB#) (resid 76 and name HG2) 1.8 0.0 3.2  !0609

!inter

assign (resid 76 and name HA) (resid 78 and name HN) 1.8 0.0 4.2  !0609



! G77




!THR78

!intra

assign (resid 78 and name HB) (resid 78 and name HN) 1.8 0.0 3.2

assign (resid 78 and name HA) (resid 78 and name HG2#) 1.8 0.0 3.2  !new

assign (resid 78 and name HA) (resid 78 and name HN) 1.8 0.0 3.2  !new

assign (resid 78 and name HN) (resid 78 and name HG2#) 1.8 0.0 3.2  !new

!inter

assign (resid 78 and name HN) (resid 77 and name HN) 1.8 0.0 3.2

assign (resid 78 and name HN) (resid 79 and name HN) 1.8 0.0 3.2  !new

assign (resid 78 and name HA) (resid 72 and name HA) 1.8 0.0 4.2  !new

assign (resid 78 and name HA) (resid 79 and name HG1) 1.8 0.0 3.2  !new

assign (resid 78 and name HA) (resid 79 and name HG2) 1.8 0.0 3.2  !new


assign (resid 78 and name HA) (resid 104 and (name HAD1 or name HAD2)) 1.8 0.0 4.2  !0609

assign (resid 78 and name HA) (resid 76 and name HA) 1.8 0.0 4.2   !0609




!LYS79

!intra

assign (resid 79 and name HG2) (resid 79 and name HN) 1.8 0.0 3.2
assign (resid 79 and name HG1) (resid 79 and name HN) 1.8 0.0 3.2

assign (resid 79 and name HB1) (resid 79 and name HN) 1.8 0.0 3.2
assign (resid 79 and name HB2) (resid 79 and name HN) 1.8 0.0 3.2

assign (resid 79 and name HB2) (resid 79 and name HG1) 1.8 0.0 1.7
assign (resid 79 and name HG1) (resid 79 and name HD#) 1.8 0.0 1.1
assign (resid 79 and name HB1) (resid 79 and name HG1) 1.8 0.0 1.7

assign (resid 79 and name HE#) (resid 79 and name HN) 1.8 0.0 3.2


!inter

assign (resid 79 and name HB1) (resid 80 and name HN) 1.8 0.0 3.2
assign (resid 79 and name HB2) (resid 80 and name HN) 1.8 0.0 3.2

assign (resid 79 and name HG#) (resid 80 and name HN) 1.8 0.0 3.2

assign (resid 79 and name HD#) (resid 104 and name HMD#) 1.8 0.0 3.2

assign (resid 79 and name HE#) (resid 104 and name HMD#) 1.8 0.0 3.2

assign (resid 79 and name HG1) (resid 104 and name HMD#) 1.8 0.0 4.2
assign (resid 79 and name HG2) (resid 104 and name HMD#) 1.8 0.0 4.2












!MET80

! intra

assign (resid 80 and name HB1) (resid 80 and name HN) 1.8 0.0 3.2
assign (resid 80 and name HB2) (resid 80 and name HN) 1.8 0.0 1.7
assign (resid 80 and name HA) (resid 80 and name HN) 1.8 0.0 1.7  !0609

assign (resid 80 and name HB1) (resid 80 and name HA) 1.8 0.0 3.2  !0609
assign (resid 80 and name HB2) (resid 80 and name HA) 1.8 0.0 1.7  !0609

! inter

! assign (resid 80 and name HA) (resid 71 and name HD1) 1.8 0.0 3.2


assign (resid 80 and name HA) (resid 81 and name HN) 1.8 0.0 1.7  !0609






!ALA81

!intra

assign (resid 81 and name HA) (resid 81 and name HN) 1.8 0.0 1.7

assign (resid 81 and name HB#) (resid 81 and name HN) 1.8 0.0 1.7

assign (resid 81 and name HA) (resid 81 and name HB#) 1.8 0.0 1.7

!inter

assign (resid 81 and name HB#) (resid 82 and name HN) 1.8 0.0 3.2

assign (resid 81 and name HN) (resid 104 and name HD) 1.8 0.0 4.2






!PHE82

! intra

assign (resid 82 and name HA) (resid 82 and name HN) 1.8 0.0 1.7

assign (resid 82 and name HB1) (resid 82 and name HN) 1.8 0.0 1.7
assign (resid 82 and name HB2) (resid 82 and name HN) 1.8 0.0 1.7

assign (resid 82 and name HB1) (resid 82 and name HD#) 1.8 0.0 1.7
assign (resid 82 and name HB2) (resid 82 and name HD#) 1.8 0.0 1.7

assign (resid 82 and name HB1) (resid 82 and name HA) 1.8 0.0 1.7
assign (resid 82 and name HB2) (resid 82 and name HA) 1.8 0.0 1.7

assign (resid 82 and name HZ) (resid 82 and name HD#) 1.8 0.0 3.2 !0609
assign (resid 82 and name HE#) (resid 82 and name HD#) 1.8 0.0 1.7 !0609
assign (resid 82 and name HZ) (resid 82 and name HE#) 1.8 0.0 3.2 !0609

! inter

assign (resid 82 and name HA) (resid 104 and name HMC#) 1.8 0.0 1.7    !0609

assign (resid 82 and name HN) (resid 81 and name HN) 1.8 0.0 1.7

assign (resid 82 and name HD#) (resid 84 and name HA#) 1.8 0.0 3.2

assign (resid 82 and name HD#) (resid 85 and name HD1#) 1.8 0.0 3.2
assign (resid 82 and name HD#) (resid 85 and name HD2#) 1.8 0.0 3.2

assign (resid 82 and name HE#) (resid 85 and name HD1#) 1.8 0.0 3.2
assign (resid 82 and name HE#) (resid 85 and name HD2#) 1.8 0.0 3.2

assign (resid 82 and name HZ) (resid 84 and name HA#) 1.8 0.0 4.2

assign (resid 82 and name HZ) (resid 104 and name HC) 1.8 0.0 4.2 !new

assign (resid 82 and name HZ) (resid 85 and name HA) 1.8 0.0 3.2 

assign (resid 82 and name HZ) (resid 85 and name HD2#) 1.8 0.0 3.2
assign (resid 82 and name HZ) (resid 85 and name HD1#) 1.8 0.0 3.2

assign (resid 82 and name HZ) (resid 85 and name HG) 1.8 0.0 3.2


assign (resid 82 and name HB1) (resid 85 and name HD1#) 1.8 0.0 4.2   !0609
assign (resid 82 and name HB2) (resid 85 and name HD1#) 1.8 0.0 4.2   !0609

assign (resid 82 and name HB1) (resid 85 and name HD2#) 1.8 0.0 4.2   !0609
assign (resid 82 and name HB2) (resid 85 and name HD2#) 1.8 0.0 4.2   !0609







! G83


! G84

assign (resid 84 and name HA#) (resid 85 and name HN) 1.8 0.0 3.2






!LEU85

!intra

assign (resid 85 and name HA) (resid 85 and name HN) 1.8 0.0 1.7

assign (resid 85 and name HB1) (resid 85 and name HN) 1.8 0.0 1.7
assign (resid 85 and name HB2) (resid 85 and name HN) 1.8 0.0 1.7

assign (resid 85 and name HD1#) (resid 85 and name HB1) 1.8 0.0 1.7
assign (resid 85 and name HD1#) (resid 85 and name HB2) 1.8 0.0 1.7
assign (resid 85 and name HD2#) (resid 85 and name HB1) 1.8 0.0 1.7
assign (resid 85 and name HD2#) (resid 85 and name HB2) 1.8 0.0 1.7

assign (resid 85 and name HD1#) (resid 85 and name HN) 1.8 0.0 1.7
assign (resid 85 and name HD2#) (resid 85 and name HN) 1.8 0.0 3.2

assign (resid 85 and name HD1#) (resid 85 and name HA) 1.8 0.0 3.2
assign (resid 85 and name HD2#) (resid 85 and name HA) 1.8 0.0 3.2

assign (resid 85 and name HG) (resid 85 and name HN) 1.8 0.0 3.2
  
assign (resid 85 and name HB1) (resid 85 and name HA) 1.8 0.0 1.7  !0609
assign (resid 85 and name HB2) (resid 85 and name HA) 1.8 0.0 1.7  !0609
assign (resid 85 and name HG) (resid 85 and name HA) 1.8 0.0 3.2   !0609

assign (resid 85 and name HD1#) (resid 85 and name HG) 1.8 0.0 1.7  !0609
assign (resid 85 and name HD2#) (resid 85 and name HG) 1.8 0.0 3.2  !0609
assign (resid 85 and name HB1) (resid 85 and name HG) 1.8 0.0 1.7  !0609
assign (resid 85 and name HB2) (resid 85 and name HG) 1.8 0.0 1.7  !0609


!inter

assign (resid 85 and name HD1#) (resid 90 and name HA) 1.8 0.0 3.2
assign (resid 85 and name HD2#) (resid 90 and name HA) 1.8 0.0 3.2

assign (resid 85 and name HD1#) (resid 90 and name HB1) 1.8 0.0 1.7
assign (resid 85 and name HD2#) (resid 90 and name HB1) 1.8 0.0 1.7
assign (resid 85 and name HD1#) (resid 90 and name HB2) 1.8 0.0 1.7
assign (resid 85 and name HD2#) (resid 90 and name HB2) 1.8 0.0 1.7

assign (resid 85 and name HD1#) (resid 90 and name HN) 1.8 0.0 4.2
assign (resid 85 and name HD2#) (resid 90 and name HN) 1.8 0.0 4.2


assign (resid 85 and name HA) (resid 91 and name HN) 1.8 0.0 3.2  ! check







!LYS86

!intra

assign (resid 86 and name HA) (resid 86 and name HN) 1.8 0.0 1.1

assign (resid 86 and name HB1) (resid 86 and name HN) 1.8 0.0 1.7  !0609

assign (resid 86 and name HB2) (resid 86 and name HN) 1.8 0.0 1.7  !0609

!inter

assign (resid 86 and name HB#) (resid 87 and name HN) 1.8 0.0 3.2

assign (resid 86 and name HA) (resid 87 and name HN) 1.8 0.0 1.7









!LYS87

!intra

assign (resid 87 and name HB1) (resid 87 and name HN) 1.8 0.0 3.2
assign (resid 87 and name HB2) (resid 87 and name HN) 1.8 0.0 1.7


assign (resid 87 and name HG#) (resid 87 and name HN) 1.8 0.0 3.2
assign (resid 87 and name HA) (resid 87 and name HN) 1.8 0.0 3.2


!inter

assign (resid 87 and name HB#) (resid 90 and name HN) 1.8 0.0 3.2








!GLU88

!intra

assign (resid 88 and name HA) (resid 88 and name HB1) 1.8 0.0 1.1
assign (resid 88 and name HA) (resid 88 and name HB2) 1.8 0.0 1.1

assign (resid 88 and name HA) (resid 88 and name HN) 1.8 0.0 1.1

assign (resid 88 and name HB#) (resid 88 and name HN) 1.8 0.0 1.7

!inter

assign (resid 88 and name HN) (resid 89 and name HN) 1.8 0.0 1.7

assign (resid 88 and name HN) (resid 90 and name HN) 1.8 0.0 3.2

assign (resid 88 and name HA) (resid 89 and name HN) 1.8 0.0 1.7

assign (resid 88 and name HA) (resid 90 and name HN) 1.8 0.0 3.2

assign (resid 88 and name HA) (resid 91 and name HN) 1.8 0.0 3.2
assign (resid 88 and name HA) (resid 91 and name HB#) 1.8 0.0 3.2

assign (resid 88 and name HA) (resid 92 and name HN) 1.8 0.0 3.2

!assign (resid 88 and name HB1) (resid 87 and name HN) 1.8 0.0 5.2
!assign (resid 88 and name HB2) (resid 87 and name HN) 1.8 0.0 4.5

assign (resid 88 and name HB1) (resid 89 and name HN) 1.8 0.0 3.2
assign (resid 88 and name HB2) (resid 89 and name HN) 1.8 0.0 3.2









!LYS89

! intra

assign (resid 89 and name HA) (resid 89 and name HB1) 1.8 0.0 1.7
assign (resid 89 and name HA) (resid 89 and name HB2) 1.8 0.0 1.7

assign (resid 89 and name HA) (resid 89 and name HN) 1.8 0.0 1.1

assign (resid 89 and name HB1) (resid 89 and name HN) 1.8 0.0 1.7
assign (resid 89 and name HB2) (resid 89 and name HN) 1.8 0.0 1.7

assign (resid 89 and name HG#) (resid 89 and name HN) 1.8 0.0 3.2

assign (resid 89 and name HG#) (resid 89 and name HA) 1.8 0.0 1.7

!inter

assign (resid 89 and name HA) (resid 90 and name HN) 1.8 0.0 1.7

assign (resid 89 and name HA) (resid 91 and name HN) 1.8 0.0 3.2

assign (resid 89 and name HA) (resid 92 and name HN) 1.8 0.0 3.2

assign (resid 89 and name HA) (resid 92 and name HB1) 1.8 0.0 3.2
assign (resid 89 and name HA) (resid 92 and name HB2) 1.8 0.0 3.2

assign (resid 89 and name HA) (resid 93 and name HN) 1.8 0.0 3.2

assign (resid 89 and name HB1) (resid 90 and name HN) 1.8 0.0 1.7
assign (resid 89 and name HB2) (resid 90 and name HN) 1.8 0.0 1.7

assign (resid 89 and name HG#) (resid 90 and name HN) 1.8 0.0 3.2

assign (resid 89 and name HN) (resid 90 and name HN) 1.8 0.0 1.1

assign (resid 89 and name HN) (resid 92 and name HD2#) 1.8 0.0 3.2








!ASP90

!intra

assign (resid 90 and name HA) (resid 90 and name HB1) 1.8 0.0 1.1

assign (resid 90 and name HA) (resid 90 and name HN) 1.8 0.0 1.1

assign (resid 90 and name HB1) (resid 90 and name HB2) 1.8 0.0 1.1 !0609

assign (resid 90 and name HB1) (resid 90 and name HN) 1.8 0.0 1.7  !new
assign (resid 90 and name HB2) (resid 90 and name HN) 1.8 0.0 1.7  !new
 
!inter

assign (resid 90 and name HA) (resid 91 and name HN) 1.8 0.0 3.2
assign (resid 90 and name HA) (resid 92 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HA) (resid 93 and name HN) 1.8 0.0 3.2
assign (resid 90 and name HA) (resid 93 and name HB#) 1.8 0.0 3.2

assign (resid 90 and name HA) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 90 and name HB1) (resid 91 and name HN) 1.8 0.0 1.7
assign (resid 90 and name HB2) (resid 91 and name HN) 1.8 0.0 1.7

assign (resid 90 and name HN) (resid 89 and name HN) 1.8 0.0 1.1






!ARG91

!intra

assign (resid 91 and name HB#) (resid 91 and name HA) 1.8 0.0 1.1

assign (resid 91 and name HB#) (resid 91 and name HN) 1.8 0.0 1.1

assign (resid 91 and name HG#) (resid 91 and name HN) 1.8 0.0 3.2

!inter

assign (resid 91 and name HN) (resid 90 and name HN) 1.8 0.0 1.7

assign (resid 91 and name HN) (resid 92 and name HN) 1.8 0.0 1.7

assign (resid 91 and name HN) (resid 93 and name HN) 1.8 0.0 3.2

assign (resid 91 and name HA) (resid 92 and name HN) 1.8 0.0 1.7

assign (resid 91 and name HA) (resid 93 and name HN) 1.8 0.0 3.2

assign (resid 91 and name HA) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 91 and name HA) (resid 94 and name HB1) 1.8 0.0 3.2
assign (resid 91 and name HA) (resid 94 and name HB2) 1.8 0.0 3.2

assign (resid 91 and name HA) (resid 94 and (name HD1# or name HD2#)) 1.8 0.0 1.1  
!0609

assign (resid 91 and name HA) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 91 and name HB#) (resid 92 and name HN) 1.8 0.0 3.2

assign (resid 91 and name HG#) (resid 92 and name HN) 1.8 0.0 3.2






!ASN92

!intra

assign (resid 92 and name HA) (resid 92 and name HN) 1.8 0.0 1.1

assign (resid 92 and name HB1) (resid 92 and name HN) 1.8 0.0 1.7
assign (resid 92 and name HB2) (resid 92 and name HN) 1.8 0.0 1.7
assign (resid 92 and name HB1) (resid 92 and name HA) 1.8 0.0 1.7   !0609
assign (resid 92 and name HB2) (resid 92 and name HA) 1.8 0.0 1.7   !0609

assign (resid 92 and name HD21) (resid 92 and name HN) 1.8 0.0 3.2
assign (resid 92 and name HD22) (resid 92 and name HN) 1.8 0.0 3.2


!inter


assign (resid 92 and name HN) (resid 90 and name HN) 1.8 0.0 3.2

assign (resid 92 and name HN) (resid 93 and name HN) 1.8 0.0 3.2  ! ol

assign (resid 92 and name HN) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 92 and name HA) (resid 93 and name HN) 1.8 0.0 1.7

assign (resid 92 and name HA) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 92 and name HA) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 92 and name HA) (resid 95 and name HB) 1.8 0.0 3.2

assign (resid 92 and name HA) (resid 96 and name HN) 1.8 0.0 3.2

assign (resid 92 and name HB#) (resid 1 and name HN) 1.8 0.0 3.2

assign (resid 92 and name HB1) (resid 93 and name HN) 1.8 0.0 1.7
assign (resid 92 and name HB2) (resid 93 and name HN) 1.8 0.0 1.7

! assign (resid 92 and name HD2#) (resid 2 and name HN) 1.8 0.0 4.2
! assign (resid 92 and name HD22) (resid 2 and name HN) 1.8 0.0 4.2

assign (resid 92 and name HD2#) (resid 89 and name HN) 1.8 0.0 3.2










!ASP93

!intra

assign (resid 93 and name HB#) (resid 93 and name HN) 1.8 0.0 1.1

assign (resid 93 and name HA) (resid 93 and name HN) 1.8 0.0 1.7

!inter

assign (resid 93 and name HN) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 93 and name HN) (resid 95 and name HN) 1.8 0.0 3.2  ! ol

assign (resid 93 and name HA) (resid 2 and name HN) 1.8 0.0 4.2

assign (resid 93 and name HA) (resid 94 and name HN) 1.8 0.0 1.7

assign (resid 93 and name HA) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 93 and name HA) (resid 96 and name HN) 1.8 0.0 3.2

assign (resid 93 and name HA) (resid 97 and name HN) 1.8 0.0 3.2

assign (resid 93 and name HB#) (resid 2 and name HN) 1.8 0.0 4.2

assign (resid 93 and name HB#) (resid 94 and name HN) 1.8 0.0 1.7













!LEU94

!intra
assign (resid 94 and name HA) (resid 94 and name HN) 1.8 0.0 1.1

assign (resid 94 and name HB#) (resid 94 and name HN) 1.8 0.0 1.7

assign (resid 94 and name HD1#) (resid 94 and name HB#) 1.8 0.0 1.7
assign (resid 94 and name HD2#) (resid 94 and name HB#) 1.8 0.0 1.7

assign (resid 94 and name HD1#) (resid 94 and name HN) 1.8 0.0 3.2
assign (resid 94 and name HD2#) (resid 94 and name HN) 1.8 0.0 3.2

assign (resid 94 and name HD1#) (resid 94 and name HA) 1.8 0.0 3.2
assign (resid 94 and name HD2#) (resid 94 and name HA) 1.8 0.0 3.2

assign (resid 94 and name HG) (resid 94 and name HD1#) 1.8 0.0 1.1
assign (resid 94 and name HG) (resid 94 and name HD2#) 1.8 0.0 1.1

assign (resid 94 and name HG) (resid 94 and name HN) 1.8 0.0 3.2


!inter

assign (resid 94 and name HN) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 94 and name HN) (resid 96 and name HN) 1.8 0.0 3.2


assign (resid 94 and name HD1#) (resid 95 and name HG11) 1.8 0.0 3.2   !0609
assign (resid 94 and name HD2#) (resid 95 and name HG11) 1.8 0.0 3.2   !0609


assign (resid 94 and name HD1#) (resid 95 and name HG12) 1.8 0.0 3.2   !0609
assign (resid 94 and name HD2#) (resid 95 and name HG12) 1.8 0.0 3.2   !0609

assign (resid 94 and name HA) (resid 95 and name HN) 1.8 0.0 1.7

assign (resid 94 and name HA) (resid 96 and name HN) 1.8 0.0 3.2  !new

assign (resid 94 and name HA) (resid 97 and name HN) 1.8 0.0 3.2  !new

assign (resid 94 and name HA) (resid 97 and name HB#) 1.8 0.0 3.2  !new

assign (resid 94 and name HA) (resid 98 and name HN) 1.8 0.0 3.2  !new

assign (resid 94 and name HA) (resid 98 and name HG) 1.8 0.0 3.2

assign (resid 94 and name HB1) (resid 95 and name HN) 1.8 0.0 1.7
assign (resid 94 and name HB2) (resid 95 and name HN) 1.8 0.0 1.7

assign (resid 94 and name HG) (resid 98 and (name HD1# or name HD2#)) 1.8 0.0 3.2

assign (resid 94 and name HG) (resid 98 and name HG) 1.8 0.0 3.2

assign (resid 94 and (name HD1# or name HD2#)) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 94 and (name HD2# or name HD1#)) (resid 104 and name HMB#) 1.8 0.0 3.2

assign (resid 94 and (name HD2# or name HD1#)) (resid 98 and name HN) 1.8 0.0 3.2 !new

assign (resid 94 and name HD2#) (resid 104 and name HAB) 1.8 0.0 3.2   !0609
assign (resid 94 and name HD1#) (resid 104 and name HAB) 1.8 0.0 3.2   !0609

assign (resid 94 and (name HD1# or name HD2#)) (resid 98 and name HB#) 1.8 0.0 3.2   !0609

assign (resid 94 and name HA) (resid 9 and (name HD1# or name HD2#)) 1.8 0.0 3.2  !0609







!ILE95

! intra

!assign (resid 95 and name HA) (resid 95 and name HB) 1.8 0.0 1.1

assign (resid 95 and name HA) (resid 95 and name HD1#) 1.8 0.0 3.2

assign (resid 95 and name HA) (resid 95 and name HG2#) 1.8 0.0 1.1

assign (resid 95 and name HA) (resid 95 and name HN) 1.8 0.0 1.1

assign (resid 95 and name HB) (resid 95 and name HG1#) 1.8 0.0 1.1
assign (resid 95 and name HB) (resid 95 and name HG2#) 1.8 0.0 1.1

assign (resid 95 and name HB) (resid 95 and name HN) 1.8 0.0 1.1

assign (resid 95 and name HG2#) (resid 95 and name HD1#) 1.8 0.0 1.1

assign (resid 95 and name HG2#) (resid 95 and name HN) 1.8 0.0 1.7

assign (resid 95 and name HG11) (resid 95 and name HN) 1.8 0.0 3.2
assign (resid 95 and name HG12) (resid 95 and name HN) 1.8 0.0 3.2

assign (resid 95 and name HG11) (resid 95 and name HD1#) 1.8 0.0 1.1
assign (resid 95 and name HG12) (resid 95 and name HD1#) 1.8 0.0 1.1

assign (resid 95 and name HG1#) (resid 95 and name HG2#) 1.8 0.0 1.1

assign (resid 95 and name HD1#) (resid 95 and name HN) 1.8 0.0 1.7



!inter

assign (resid 95 and name HN) (resid 96 and name HN) 1.8 0.0 1.7

assign (resid 95 and name HN) (resid 97 and name HN) 1.8 0.0 3.2

assign (resid 95 and name HA) (resid 96 and name HN) 1.8 0.0 1.7

assign (resid 95 and name HA) (resid 97 and name HN) 1.8 0.0 3.2

assign (resid 95 and name HA) (resid 98 and name HN) 1.8 0.0 3.2

assign (resid 95 and name HA) (resid 98 and name HB#) 1.8 0.0 3.2

assign (resid 95 and name HA) (resid 99 and name HN) 1.8 0.0 3.2

assign (resid 95 and name HG2#) (resid 98 and name HN) 1.8 0.0 3.2 !new

assign (resid 95 and name HB) (resid 96 and name HN) 1.8 0.0 1.7

assign (resid 95 and name HB#) (resid -3 and name HZ) 1.8 0.0 3.2

assign (resid 95 and name HG2#) (resid -3 and name HZ) 1.8 0.0 3.2

assign (resid 95 and name HG2#) (resid 61 and name HN) 1.8 0.0 4.2 

assign (resid 95 and name HG2#) (resid 65 and name HN) 1.8 0.0 4.2 

assign (resid 95 and name HG1#) (resid 94 and name HN) 1.8 0.0 3.2 

assign (resid 95 and name HG1#) (resid 99 and name HN) 1.8 0.0 3.2 

assign (resid 95 and (name HG11 or name HG12)) (resid 98 and name HD1#) 1.8 0.0 1.7  !0609 
assign (resid 95 and (name HG11 or name HG12)) (resid 98 and name HD2#) 1.8 0.0 3.2  !0609 

assign (resid 95 and name HG2#) (resid 94 and name HN) 1.8 0.0 4.2 

assign (resid 95 and name HG2#) (resid 99 and name HN) 1.8 0.0 3.2 

assign (resid 95 and name HG2#) (resid 99 and name HA) 1.8 0.0 3.2   !0609


!THR96

! intra

assign (resid 96 and name HA) (resid 96 and name HN) 1.8 0.0 1.7

assign (resid 96 and name HA) (resid 96 and name HG2#) 1.8 0.0 1.1

assign (resid 96 and name HB) (resid 96 and name HN) 1.8 0.0 1.7

assign (resid 96 and name HG2#) (resid 96 and name HN) 1.8 0.0 1.7

assign (resid 96 and name HB) (resid 96 and name HA) 1.8 0.0 3.2

!inter

assign (resid 96 and name HN) (resid 97 and name HN) 1.8 0.0 1.7

assign (resid 96 and name HN) (resid 98 and name HN) 1.8 0.0 3.2  

assign (resid 96 and name HA) (resid -3 and name HZ) 1.8 0.0 3.2 

assign (resid 96 and name HA) (resid 97 and name HN) 1.8 0.0 1.7 

assign (resid 96 and name HA) (resid 98 and name HN) 1.8 0.0 3.2 

assign (resid 96 and name HA) (resid 99 and name HN) 1.8 0.0 3.2 

assign (resid 96 and name HA) (resid 100 and name HN) 1.8 0.0 3.2 

assign (resid 96 and name HA) (resid 99 and name HB#) 1.8 0.0 3.2

assign (resid 96 and name HA) (resid 99 and name HD#) 1.8 0.0 3.2

assign (resid 96 and name HB) (resid 97 and name HN) 1.8 0.0 1.7

assign (resid 96 and name HG2#) (resid 1 and name HN) 1.8 0.0 4.2

assign (resid 96 and name HG2#) (resid -3 and name HZ) 1.8 0.0 3.2










!TYR97

!intra

assign (resid 97 and name HB1) (resid 97 and name HN) 1.8 0.0 1.7
assign (resid 97 and name HB2) (resid 97 and name HN) 1.8 0.0 1.7
assign (resid 97 and name HB1) (resid 97 and name HA) 1.8 0.0 1.7  !0609
assign (resid 97 and name HB2) (resid 97 and name HA) 1.8 0.0 1.7  !0609


assign (resid 97 and name HA) (resid 97 and name HN) 1.8 0.0 1.1

!inter

assign (resid 97 and name HB1) (resid 7 and name HN) 1.8 0.0 3.2
assign (resid 97 and name HB2) (resid 7 and name HN) 1.8 0.0 3.2

assign (resid 97 and name HB1) (resid 98 and name HN) 1.8 0.0 3.2
assign (resid 97 and name HB2) (resid 98 and name HN) 1.8 0.0 3.2


assign (resid 97 and name HN) (resid 98 and name HN) 1.8 0.0 1.7

assign (resid 97 and name HN) (resid 98 and name HD1#) 1.8 0.0 3.2   ! 0614cao
assign (resid 97 and name HN) (resid 98 and name HD2#) 1.8 0.0 3.2   ! 0614cao

assign (resid 97 and name HN) (resid 99 and name HN) 1.8 0.0 3.2


assign (resid 97 and name HA) (resid 98 and name HN) 1.8 0.0 1.7

assign (resid 97 and name HA) (resid 99 and name HN) 1.8 0.0 3.2

assign (resid 97 and name HA) (resid 100 and name HN) 1.8 0.0 3.2

assign (resid 97 and name HA) (resid 100 and name HB1) 1.8 0.0 3.2
assign (resid 97 and name HA) (resid 100 and name HB2) 1.8 0.0 3.2

assign (resid 97 and name HA) (resid 101 and name HN) 1.8 0.0 3.2





!LEU98

!intra

assign (resid 98 and name HA) (resid 98 and name HD1#) 1.8 0.0 3.2
assign (resid 98 and name HA) (resid 98 and name HD2#) 1.8 0.0 3.2

assign (resid 98 and name HA) (resid 98 and name HN) 1.8 0.0 1.1

assign (resid 98 and name HD1#) (resid 98 and name HN) 1.8 0.0 3.2
assign (resid 98 and name HD2#) (resid 98 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HD1#) (resid 98 and name HB#) 1.8 0.0 3.2
assign (resid 98 and name HD2#) (resid 98 and name HB#) 1.8 0.0 3.2

assign (resid 98 and name HG) (resid 98 and name HN) 1.8 0.0 3.2




!inter

assign (resid 98 and name HN) (resid 100 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HA) (resid 99 and name HN) 1.8 0.0 1.7

assign (resid 98 and name HA) (resid 100 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HA) (resid 101 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HA) (resid 102 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HA) (resid 101 and name HB#) 1.8 0.0 3.2

assign (resid 98 and name HB#) (resid 99 and name HN) 1.8 0.0 1.7

assign (resid 98 and name HG) (resid 97 and name HE#) 1.8 0.0 3.2

assign (resid 98 and name HD1#) (resid 36 and name HD#) 1.8 0.0 3.2
assign (resid 98 and name HD2#) (resid 36 and name HD#) 1.8 0.0 3.2

assign (resid 98 and name HD1#) (resid 99 and name HN) 1.8 0.0 3.2
assign (resid 98 and name HD2#) (resid 99 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HD#) (resid 102 and name HN) 1.8 0.0 3.2

assign (resid 98 and name HD1#) (resid 104 and name HMB#) 1.8 0.0 3.2
assign (resid 98 and name HD2#) (resid 104 and name HMB#) 1.8 0.0 3.2



!LYS99

!intra

assign (resid 99 and name HA) (resid 99 and name HB1) 1.8 0.0 1.1
assign (resid 99 and name HA) (resid 99 and name HB2) 1.8 0.0 1.1

assign (resid 99 and name HA) (resid 99 and name HD#) 1.8 0.0 3.2

assign (resid 99 and name HA) (resid 99 and name HG#) 1.8 0.0 1.7

assign (resid 99 and name HA) (resid 99 and name HN) 1.8 0.0 1.1

assign (resid 99 and name HB1) (resid 99 and name HN) 1.8 0.0 1.7
assign (resid 99 and name HB2) (resid 99 and name HN) 1.8 0.0 1.7

assign (resid 99 and name HD#) (resid 99 and name HN) 1.8 0.0 3.2

assign (resid 99 and name HG#) (resid 99 and name HN) 1.8 0.0 3.2

!inter

assign (resid 99 and name HN) (resid 98 and name HN) 1.8 0.0 1.7

assign (resid 99 and name HN) (resid 100 and name HN) 1.8 0.0 1.7

assign (resid 99 and name HN) (resid 101 and name HN) 1.8 0.0 3.2

assign (resid 99 and name HB1) (resid 36 and name HE#) 1.8 0.0 3.2
assign (resid 99 and name HB2) (resid 36 and name HE#) 1.8 0.0 3.2

assign (resid 99 and name HB1) (resid 100 and name HN) 1.8 0.0 3.2
assign (resid 99 and name HB2) (resid 100 and name HN) 1.8 0.0 3.2

assign (resid 99 and name HA) (resid 100 and name HN) 1.8 0.0 1.7

assign (resid 99 and name HA) (resid 102 and name HN) 1.8 0.0 3.2

assign (resid 99 and name HA) (resid 102 and name HB#) 1.8 0.0 3.2



!LYS100

!intra

assign (resid 100 and name HA) (resid 100 and name HB#) 1.8 0.0 1.7

assign (resid 100 and name HA) (resid 100 and name HN) 1.8 0.0 1.1

assign (resid 100 and name HB1) (resid 100 and name HN) 1.8 0.0 1.1
assign (resid 100 and name HB2) (resid 100 and name HN) 1.8 0.0 1.1

!inter

assign (resid 100 and name HN) (resid 102 and name HN) 1.8 0.0 3.2

assign (resid 100 and name HA) (resid 101 and name HN) 1.8 0.0 1.7

assign (resid 100 and name HA) (resid 103 and name HN) 1.8 0.0 3.2

assign (resid 100 and name HA) (resid 103 and name HB#) 1.8 0.0 3.2

assign (resid 100 and name HB1) (resid 101 and name HN) 1.8 0.0 1.7
assign (resid 100 and name HB2) (resid 101 and name HN) 1.8 0.0 1.7







!ALA101

!intra

assign (resid 101 and name HA) (resid 101 and name HN) 1.8 0.0 1.1

assign (resid 101 and name HB#) (resid 101 and name HN) 1.8 0.0 1.7



!inter

assign (resid 101 and name HN) (resid 100 and name HN) 1.8 0.0 1.1

assign (resid 101 and name HN) (resid 102 and name HN) 1.8 0.0 1.1

assign (resid 101 and name HN) (resid 103 and name HN) 1.8 0.0 1.7


assign (resid 101 and name HA) (resid 103 and name HN) 1.8 0.0 3.2

assign (resid 101 and name HB#) (resid 102 and name HN) 1.8 0.0 1.7









!T102

!intra

assign (resid 102 and name HA) (resid 102 and name HN) 1.8 0.0 1.7

!inter

assign (resid 102 and name HB#) (resid 103 and name HN) 1.8 0.0 1.1

assign (resid 102 and name HN) (resid 103 and name HN) 1.8 0.0 1.1

assign (resid 102 and name HA) (resid 103 and name HN) 1.8 0.0 3.2








!GLU103

! intra

assign (resid 103 and name HA) (resid 103 and name HN) 1.8 0.0 1.1

assign (resid 103 and name HB1) (resid 103 and name HN) 1.8 0.0 1.1
assign (resid 103 and name HB2) (resid 103 and name HN) 1.8 0.0 1.1







!HEC104

!intra

assign (resid 104 and name HAA#) (resid 104 and name HA) 1.8 0.0 1.7

assign (resid 104 and name HAA#) (resid 104 and name HBA#) 1.8 0.0 1.1

assign (resid 104 and name HAA#) (resid 104 and name HA) 1.8 0.0 1.1

assign (resid 104 and name HAA#) (resid 104 and name HMA#) 1.8 0.0 3.2

assign (resid 104 and name HAB) (resid 104 and name HMB#) 1.8 0.0 1.7

assign (resid 104 and name HAD1) (resid 104 and name HMD#) 1.8 0.0 1.7
assign (resid 104 and name HAD2) (resid 104 and name HMD#) 1.8 0.0 1.7


assign (resid 104 and name HBA#) (resid 104 and name HMA#) 1.8 0.0 3.2

assign (resid 104 and name HBB#) (resid 104 and name HMB#) 1.8 0.0 1.1

assign (resid 104 and name HBB#) (resid 104 and name HMB#) 1.8 0.0 1.7    
!0609

assign (resid 104 and name HBC#) (resid 104 and name HMC#) 1.8 0.0 1.7

assign (resid 104 and name HBD#) (resid 104 and name HAD1) 1.8 0.0 3.2
assign (resid 104 and name HBD#) (resid 104 and name HAD2) 1.8 0.0 3.2

assign (resid 104 and name HBD1) (resid 104 and name HMD#) 1.8 0.0 1.7
assign (resid 104 and name HBD2) (resid 104 and name HMD#) 1.8 0.0 1.7




assign (resid 104 and name HA) (resid 104 and name HAA1) 1.8 0.0 1.7

assign (resid 104 and name HB) (resid 104 and name HMA#) 1.8 0.0 1.7

assign (resid 104 and name HB) (resid 104 and name HMB#) 1.8 0.0 1.7

assign (resid 104 and name HC) (resid 104 and name HMC#) 1.8 0.0 3.2

assign (resid 104 and name HC) (resid 104 and name HAB) 1.8 0.0 3.2

assign (resid 104 and name HD) (resid 104 and name HAC) 1.8 0.0 3.2

assign (resid 104 and name HD) (resid 104 and name HBC#) 1.8 0.0 3.2

assign (resid 104 and name HD) (resid 104 and name HMD#) 1.8 0.0 1.7



assign (resid 104 and name HMA#) (resid 104 and name HAA1) 1.8 0.0 1.7
assign (resid 104 and name HMA#) (resid 104 and name HAA2) 1.8 0.0 1.7

assign (resid 104 and name HMA#) (resid 104 and name HBA1) 1.8 0.0 3.2
assign (resid 104 and name HMA#) (resid 104 and name HBA2) 1.8 0.0 3.2

assign (resid 104 and name HMA#) (resid 104 and name HB) 1.8 0.0 1.7


! assign (resid 104 and name HMB#) (resid 104 and name HAB) 1.8 0.0 1.1 ! repeated

assign (resid 104 and name HMB#) (resid 104 and name HB) 1.8 0.0 1.1

assign (resid 104 and name HMB#) (resid 104 and name HBB#) 1.8 0.0 1.1


assign (resid 104 and name HMC#) (resid 104 and name HBC#) 1.8 0.0 1.7

assign (resid 104 and name HMC#) (resid 104 and name HC) 1.8 0.0 1.1

assign (resid 104 and name HMD#) (resid 104 and name HAD1) 1.8 0.0 1.7
assign (resid 104 and name HMD#) (resid 104 and name HAD2) 1.8 0.0 1.7

assign (resid 104 and name HMD#) (resid 104 and name HD) 1.8 0.0 1.1


!assign (resid 104 and name HAA1) (resid 104 and name HAA2) 1.8 0.0 1.1
!assign (resid 104 and name HMA#) (resid 104 and name HMA#) 1.8 0.0 1.1
!assign (resid 104 and name HAD1) (resid 104 and name HAD1) 1.8 0.0 1.1
!assign (resid 104 and name HAA2) (resid 104 and name HAA1) 1.8 0.0 1.1
!assign (resid 104 and name HMC#) (resid 104 and name HMC#) 1.8 0.0 1.1
!assign (resid 104 and name HMD#) (resid 104 and name HMD#) 1.8 0.0 1.1
!assign (resid 104 and name HAD2) (resid 104 and name HAD1) 1.8 0.0 1.7




!inter

assign (resid 104 and name HAB) (resid 13 and name HB1) 1.8 0.0 3.2
assign (resid 104 and name HAB) (resid 13 and name HB2) 1.8 0.0 3.2

assign (resid 104 and name HAB) (resid 14 and name HB#) 1.8 0.0 3.2

assign (resid 104 and name HAC) (resid 18 and name HD2) 1.8 0.0 4.2

assign (resid 104 and name HAC) (resid 28 and (name HG1# or name HG2#)) 1.8 0.0 3.2


assign (resid 104 and name HAD#) (resid 30 and name HD#) 1.8 0.0 3.2

assign (resid 104 and name HAD#) (resid 46 and name HD#) 1.8 0.0 4.2

! assign (resid 104 and name HAD#) (resid 46 and name HE#) 1.8 0.0 4.2

assign (resid 104 and name HAD#) (resid 79 and name HE#) 1.8 0.0 3.2

assign (resid 104 and name HAD#) (resid 79 and name HG#) 1.8 0.0 3.2




assign (resid 104 and name HMA#) (resid 32 and (name HD2# or name HD1#)) 1.8 0.0 1.1

assign (resid 104 and name HMA#) (resid 59 and name HE3) 1.8 0.0 4.2

assign (resid 104 and name HMA#) (resid 64 and name HE#) 1.8 0.0 1.7

assign (resid 104 and name HMB#) (resid 14 and name HB#) 1.8 0.0 3.2

assign (resid 104 and name HMC#) (resid 82 and name HA) 1.8 0.0 4.2



assign (resid 104 and name HAA#) (resid 35 and name HG1#) 1.8 0.0 4.2

assign (resid 104 and name HAA#) (resid 52 and name HD21) 1.8 0.0 3.2
assign (resid 104 and name HAA#) (resid 52 and name HD22) 1.8 0.0 3.2

! assign (resid 104 and name HAA#) (resid 52 and name HD2#) 1.8 0.0 1.7  ! repeated

assign (resid 104 and name HAA#) (resid 59 and name HE1) 1.8 0.0 3.2

assign (resid 104 and name HAA1) (resid 59 and name HZ2) 1.8 0.0 3.2
assign (resid 104 and name HAA2) (resid 59 and name HZ2) 1.8 0.0 3.2


assign (resid 104 and name HBA#) (resid 35 and name HG1#) 1.8 0.0 3.2

assign (resid 104 and name HBB#) (resid 68 and name HD1#) 1.8 0.0 4.2
assign (resid 104 and name HBB#) (resid 68 and name HD2#) 1.8 0.0 4.2

assign (resid 104 and name HBB#) (resid 82 and name HZ) 1.8 0.0 3.2

assign (resid 104 and name HBB#) (resid 85 and name HG) 1.8 0.0 3.2

assign (resid 104 and name HBB#) (resid 94 and (name HD2# or name HD1#)) 1.8 0.0 3.2

assign (resid 104 and name HBC#) (resid 28 and (name HG1# or name HG2#)) 1.8 0.0 3.2

!assign (resid 104 and name HBD1) (resid 80 and name HN) 1.8 0.0 4.2
assign (resid 104 and name HBD#) (resid 80 and name HN) 1.8 0.0 4.2


assign (resid 104 and name HB) (resid 71 and name HD#) 1.8 0.0 4.2