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
522564 2lkb 17988 cing 1-original 1 XPLOR/CNS distance NOE ambi


!A1

!inter

!!! assign (resid 1 and name HA) (resid 55 and name HB#) 1.8 0.0 4.2  !! later

assign (resid 1 and name HA) (resid 2 and name HG#) 1.8 0.0 4.2

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

assign (resid 1 and name HA) (resid 2 and name HB#) 1.8 0.0 4.2 

assign (resid 1 and name HB#) (resid 52 and name HB#) 1.8 0.0 4.2 


!R2

!intra

assign (resid 2 and name HA) (resid 2 and name HD#) 1.8 0.0 4.2 
assign (resid 2 and name HA) (resid 2 and name HG#) 1.8 0.0 4.2 


assign (resid 2 and name HB1) (resid 2 and name HA) 1.8 0.0 1.7
assign (resid 2 and name HB2) (resid 2 and name HA) 1.8 0.0 1.7


assign (resid 2 and name HB#) (resid 2 and name HD#) 1.8 0.0 4.2 

assign (resid 2 and name HD#) (resid 2 and name HN) 1.8 0.0 4.2

assign (resid 2 and name HD#) (resid 2 and name HG#) 1.8 0.0 4.2

assign (resid 2 and name HG#) (resid 2 and name HN) 1.8 0.0 4.2

assign (resid 2 and name HA) (resid 2 and name HN) 1.8 0.0 4.2

assign (resid 2 and name HB#) (resid 2 and name HN) 1.8 0.0 4.2 


!inter

assign (resid 2 and name HN) (resid 3 and name HN) 1.8 0.0 4.2


assign (resid 2 and name HA) (resid 3 and name HN) 1.8 0.0 1.7

assign (resid 2 and name HA) (resid 50 and name HN) 1.8 0.0 4.2 

assign (resid 2 and name HA) (resid 51 and name HA) 1.8 0.0 3.2   !! later

assign (resid 2 and name HA) (resid 50 and name HB# ) 1.8 0.0 4.2 



assign (resid 2 and name HB#) (resid 1 and name HA) 1.8 0.0 4.2

!!! assign (resid 2 and name HB#) (resid 49 and name HZ2) 1.8 0.0 4.2

!!! assign (resid 2 and name HB1) (resid 54 and name HB#) 1.8 0.0 4.2
!!! assign (resid 2 and name HB#) (resid 54 and name HB#) 1.8 0.0 4.2

assign (resid 2 and name HB#) (resid 3 and name HN) 1.8 0.0 4.2

assign (resid 2 and name HB#) (resid 52 and name HN) 1.8 0.0 4.2 


assign (resid 2 and name HG#) (resid 3 and name HB#) 1.8 0.0 4.2 

assign (resid 2 and name HG#) (resid 4 and name HA) 1.8 0.0 4.2 



assign (resid 2 and name HD#) (resid 3 and name HB#) 1.8 0.0 4.2 







!D3

!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 4.2
assign (resid 3 and name HB2) (resid 3 and name HN) 1.8 0.0 4.2


!inter

assign (resid 3 and name HA) (resid 2 and name HB#) 1.8 0.0 4.2 

assign (resid 3 and name HA) (resid 6 and name HB#) 1.8 0.0 4.2

assign (resid 3 and name HN) (resid 51 and name HA) 1.8 0.0 4.2

assign (resid 3 and name HN) (resid 50 and name HN) 1.8 0.0 4.2

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

assign (resid 3 and name HB#) (resid 49 and name HA) 1.8 0.0 4.2

!!! assign (resid 3 and name HB#) (resid 53 and name HA) 1.8 0.0 4.2 









!A4

!intra

assign (resid 4 and name HA) (resid 4 and name HN) 1.8 0.0 1.1

assign (resid 4 and name HB#) (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 4.2

!!!  assign (resid 4 and name HN) (resid 48 and name HN) 1.8 0.0 4.2


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


assign (resid 4 and name HA) (resid 5 and name HE# ) 1.8 0.0 4.2 

assign (resid 4 and name HA) (resid 49 and name HA) 1.8 0.0 1.7

assign (resid 4 and name HA) (resid 49 and name HD1) 1.8 0.0 4.2 

assign (resid 4 and name HA) (resid 50 and name HN) 1.8 0.0 4.2  ! d2o


assign (resid 4 and name HB#) (resid 3 and name HN) 1.8 0.0 4.2

assign (resid 4 and name HB#) (resid 2 and name HB#) 1.8 0.0 4.2

!! assign (resid 4 and name HB#) (resid 49 and name HN) 1.8 0.0 4.2 

!! assign (resid 4 and name HB#) (resid 49 and name HZ2) 1.8 0.0 4.2

! assign (resid 4 and name HB#) (resid 49 and name HH2) 1.8 0.0 4.2 

assign (resid 4 and name HB#) (resid 5 and name HE#) 1.8 0.0 4.2


! assign (resid 4 and name HB#) (resid 53 and name HB#) 1.8 0.0 4.2 

assign (resid 4 and name HB#) (resid 5 and name HB#) 1.8 0.0 4.2 

!!!! assign (resid 4 and name HB#) (resid 33 and name HA) 1.8 0.0 4.2 

!!! assign (resid 4 and name HB#) (resid 37 and name HE#) 1.8 0.0 4.2 

!assign (resid 4 and name HB#) (resid 51 and name HB) 1.8 0.0 4.2 

!assign (resid 4 and name HB#) (resid 61 and name HN) 1.8 0.0 4.2 












!Y5

!intra

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

assign (resid 5 and name HB#) (resid 5 and name HD#) 1.8 0.0 1.7

assign (resid 5 and name HB#) (resid 5 and name HE#) 1.8 0.0 4.2

assign (resid 5 and name HB#) (resid 5 and name HN) 1.8 0.0 1.7



!inter

! assign (resid 5 and name HN) (resid 4 and name HN) 1.8 0.0 4.2

!assign (resid 5 and name HA) (resid 49 and name HZ2) 1.8 0.0 4.2

assign (resid 5 and name HA) (resid 48 and name HB#) 1.8 0.0 4.2

assign (resid 5 and name HB#) (resid 41 and name HG) 1.8 0.0 4.2 

!!! assign (resid 5 and name HB#) (resid 49 and name HD1) 1.8 0.0 4.2 

!assign (resid 5 and name HB#) (resid 52 and name HA) 1.8 0.0 4.2 


assign (resid 5 and name HB#) (resid 6 and name HN) 1.8 0.0 4.2

! assign (resid 5 and name HD#) (resid 23 and name HA) 1.8 0.0 4.2

! assign (resid 5 and name HD#) ((resid 44 or resid 66) and name HN) 1.8 0.0 4.2












!I6

!intra

assign (resid 6 and name HA) (resid 6 and name HN) 1.8 0.0 1.1

assign (resid 6 and name HB) (resid 6 and name HN) 1.8 0.0 4.2

assign (resid 6 and name HB) (resid 6 and name HA) 1.8 0.0 1.7

assign (resid 6 and name HD1#) (resid 6 and name HB) 1.8 0.0 1.7

assign (resid 6 and name HD1#) (resid 6 and name HN) 1.8 0.0 4.2

assign (resid 6 and name HG2#) (resid 6 and name HN) 1.8 0.0 4.2

assign (resid 6 and name HG1#) (resid 6 and name HA) 1.8 0.0 4.2 

!inter

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

assign (resid 6 and name HA) (resid 8 and name HG2) 1.8 0.0 4.2 

assign (resid 6 and name HA) (resid 12 and name HB#) 1.8 0.0 4.2

assign (resid 6 and name HA) (resid 13 and name HA) 1.8 0.0 4.2

assign (resid 6 and name HA) (resid 13 and name HB#) 1.8 0.0 4.2





assign (resid 6 and name HD1#) (resid 7 and name HB#) 1.8 0.0 4.2

assign (resid 6 and name HD1#) (resid 7 and name HN) 1.8 0.0 4.2 



assign (resid 6 and name HG1#) (resid 4 and name HN) 1.8 0.0 4.2

assign (resid 6 and name HG2#) (resid 13 and name HN) 1.8 0.0 4.2

assign (resid 6 and name HG2#) (resid 5 and name HD#) 1.8 0.0 4.2



assign (resid 6 and name HB#) (resid 5 and name HN) 1.8 0.0 4.2

assign (resid 6 and name HB#) (resid 13 and name HN) 1.8 0.0 4.2 

!! assign (resid 6 and name HB#) (resid 48 and name HN) 1.8 0.0 4.2 

!nassign (resid 6 and name HB#) (resid 49 and name HA) 1.8 0.0 4.2 


!A7

!intra

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 12 and name HN) 1.8 0.0 4.2

assign (resid 7 and name HN) (resid 13 and name HB) 1.8 0.0 4.2

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

assign (resid 7 and name HA) (resid 6 and name HN) 1.8 0.0 4.2


assign (resid 7 and name HB#) (resid 6 and name HG2#) 1.8 0.0 4.2

!!! assign (resid 7 and name HB#) (resid 5 and name HD#) 1.8 0.0 4.2 

assign (resid 7 and name HB#) (resid 8 and name HB#) 1.8 0.0 4.2  

assign (resid 7 and name HB#) (resid 8 and name HZ#) 1.8 0.0 4.2   

assign (resid 7 and name HB#) (resid 12 and name HA) 1.8 0.0 4.2

assign (resid 7 and name HB#) (resid 13 and name HB) 1.8 0.0 4.2








!K8

!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 HG#) (resid 8 and name HN) 1.8 0.0 4.2

assign (resid 8 and name HG#) (resid 8 and name HA) 1.8 0.0 4.2 


assign (resid 8 and name HE#) (resid 8 and name HZ#) 1.8 0.0 1.1

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


!inter


assign (resid 8 and name HA) (resid 12 and name HA) 1.8 0.0 4.2 



assign (resid 8 and name HB#) (resid 10 and name HN) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 9 and name HG#) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 7 and name HN) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 12 and name HA) 1.8 0.0 4.2

assign (resid 8 and name HB#) (resid 12 and name HB#) 1.8 0.0 4.2  

assign (resid 8 and name HB#) (resid 12 and name HN) 1.8 0.0 4.2 

!!! assign (resid 8 and name HB#) (resid 13 and name HB#) 1.8 0.0 4.2 


assign (resid 8 and name HG#) (resid 13 and name HN) 1.8 0.0 4.2




assign (resid 8 and name HD#) (resid 12 and name HB#) 1.8 0.0 4.2  


assign (resid 8 and name HE#) (resid 10 and name HN) 1.8 0.0 4.2

assign (resid 8 and name HE#) (resid 11 and name HD2#) 1.8 0.0 4.2

assign (resid 8 and name HN) (resid 27 and name HG1#) 1.8 0.0 4.2 

assign (resid 8 and name HG#) (resid 12 and name HA) 1.8 0.0 4.2 

!assign (resid 8 and name HG#) (resid 13 and name HA) 1.8 0.0 4.2 











!P9

!intra

assign (resid 9 and name HD#) (resid 9 and name HA) 1.8 0.0 1.7

assign (resid 9 and name HG#) (resid 9 and name HA) 1.8 0.0 1.7



!inter

assign (resid 9 and name HA) (resid 10 and name HN) 1.8 0.0 4.2


assign (resid 9 and name HA) (resid 10 and name HD1) 1.8 0.0 4.2
! 20110312

assign (resid 9 and name HA) (resid 8 and name HN) 1.8 0.0 4.2

assign (resid 9 and name HA) (resid 11 and name HN) 1.8 0.0 4.2

assign (resid 9 and name HA) (resid 10 and name HN) 1.8 0.0 4.2

assign (resid 9 and name HA) (resid 11 and name HD2#) 1.8 0.0 4.2


assign (resid 9 and name HG#) (resid 10 and name HB#) 1.8 0.0 4.2






!H10

!intra

assign (resid 10 and name HA) (resid 10 and name HD1) 1.8 0.0 4.2

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

assign (resid 10 and name HB#) (resid 10 and name HN) 1.8 0.0 1.7

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


!inter


! assign (resid 10 and name HA) (resid 64 and name HN) 1.8 0.0 4.2

!!! assign (resid 10 and name HB#) (resid 8 and name HG#) 1.8 0.0 4.2 

assign (resid 10 and name HB#) (resid 11 and name HB#) 1.8 0.0 4.2

! assign (resid 10 and name HB#) (resid 64 and name HG#) 1.8 0.0 4.2


assign (resid 10 and name HD#) (resid 11 and name HD2#) 1.8 0.0 4.2

assign (resid 10 and name HD#) (resid 61 and name HG#) 1.8 0.0 4.2

assign (resid 10 and name HA) (resid 9 and name HA) 1.8 0.0 4.2
! 20110312

assign (resid 10 and name HA) (resid 60 and name HN) 1.8 0.0 4.2

assign (resid 10 and name HN) (resid 8 and name HA) 1.8 0.0 4.2 








!N11

!intra

assign (resid 11 and name HN) (resid 11 and name HD2#) 1.8 0.0 4.2

assign (resid 11 and name HB#) (resid 11 and name HN) 1.8 0.0 1.7



!inter

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








!C12

!intra

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

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


!inter

assign (resid 12 and name HN) (resid 7 and name HN) 1.8 0.0 4.2

assign (resid 12 and name HN) (resid 11 and name HN) 1.8 0.0 4.2

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

assign (resid 12 and name HB#) (resid 8 and name HE#) 1.8 0.0 4.2

assign (resid 12 and name HB#) (resid 13 and name HA) 1.8 0.0 4.2 


assign (resid 12 and name HA) (resid 13 and name HB) 1.8 0.0 4.2 

!!! assign (resid 12 and name HA) (resid 10 and name HA) 1.8 0.0 4.2 

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






!V13

!intra

assign (resid 13 and name HB) (resid 13 and name HN) 1.8 0.0 4.2

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

assign (resid 13 and (name HG1# or name HG2#)) (resid 13 and name HN) 1.8 0.0 1.7

assign (resid 13 and (name HG1# or name HG2#)) (resid 13 and name HA) 1.8 0.0 1.7 


!inter(correct)


assign (resid 13 and name HN) (resid 7 and name HN) 1.8 0.0 4.2

!assign (resid 13 and name HN) (resid 48 and name HN) 1.8 0.0 4.2

!assign (resid 13 and name HN) (resid 43 and name HB#) 1.8 0.0 4.2



assign (resid 13 and name HA) (resid 7 and name HN) 1.8 0.0 4.2

assign (resid 13 and name HA) (resid 12 and name HB#) 1.8 0.0 4.2 

assign (resid 13 and name HA) (resid 14 and name HE#) 1.8 0.0 4.2




assign (resid 13 and name HB) (resid 14 and name HN) 1.8 0.0 4.2

assign (resid 13 and name HB) (resid 15 and name HN) 1.8 0.0 4.2

assign (resid 13 and name HB) (resid 12 and name HA) 1.8 0.0 4.2 

assign (resid 13 and name HB) (resid 47 and name HN) 1.8 0.0 4.2 



assign (resid 13 and name HG1#) (resid 8 and name HG#) 1.8 0.0 4.2

!!! assign (resid 13 and name HG1#) (resid 11 and name HB#) 1.8 0.0 4.2 

assign (resid 13 and name HG1#) (resid 14 and name HB#) 1.8 0.0 4.2

assign (resid 13 and name HG1#) (resid 15 and name HG#) 1.8 0.0 4.2 

assign (resid 13 and name HG1#) (resid 15 and name HA) 1.8 0.0 4.2 

assign (resid 13 and name HG1#) (resid 46 and name HN) 1.8 0.0 4.2




assign (resid 13 and name HG2#) (resid 12 and name HA) 1.8 0.0 4.2

assign (resid 13 and name HG2#) (resid 15 and name HA) 1.8 0.0 4.2

assign (resid 13 and name HG2#) (resid 12 and name HB#) 1.8 0.0 4.2

assign (resid 13 and name HG2#) (resid 14 and name HB#) 1.8 0.0 4.2 







!Y14

!intra

assign (resid 14 and name HB#) (resid 14 and name HD#) 1.8 0.0 1.7

assign (resid 14 and name HB#) (resid 14 and name HE#) 1.8 0.0 4.2

assign (resid 14 and name HB#) (resid 14 and name HN) 1.8 0.0 1.7

!inter

assign (resid 14 and name HB#) (resid 15 and name HN) 1.8 0.0 4.2

assign (resid 14 and name HB#) (resid 15 and name HA) 1.8 0.0 4.2

assign (resid 14 and name HD#) (resid 13 and name HA) 1.8 0.0 4.2

!!! assign (resid 14 and name HA) (resid 46 and name HD2#) 1.8 0.0 4.2 

assign (resid 14 and name HA) (resid 15 and name HA) 1.8 0.0 4.2 


!E15

!intra

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


assign (resid 15 and name HB#) (resid 15 and name HN) 1.8 0.0 1.7


!inter



! assign (resid 15 and name HB#) (resid 13 and name HB#) 1.8 0.0 4.2

assign (resid 15 and name HB#) (resid 14 and name HB#) 1.8 0.0 4.2

assign (resid 15 and name HB#) (resid 14 and name HN) 1.8 0.0 4.2 

!!! assign (resid 15 and name HA) (resid 17 and name HZ) 1.8 0.0 4.2 


assign (resid 15 and name HB#) (resid 17 and name HB1) 1.8 0.0 4.2
assign (resid 15 and name HB#) (resid 17 and name HB2) 1.8 0.0 4.2

!!! assign (resid 15 and name HB#) (resid 46 and name HN) 1.8 0.0 4.2

assign (resid 15 and name HG#) (resid 16 and name HB#) 1.8 0.0 4.2

assign (resid 15 and name HG#) (resid 17 and name HB#) 1.8 0.0 4.2


assign (resid 15 and name HB#) (resid 16 and name HB#) 1.8 0.0 4.2







!C16

!intra

assign (resid 16 and name HA) (resid 16 and name HN) 1.8 0.0 1.7

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

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


!inter

assign (resid 16 and name HN) (resid 15 and name HN) 1.8 0.0 1.7

assign (resid 16 and name HB#) (resid 17 and name HN) 1.8 0.0 4.2

assign (resid 16 and name HB#) (resid 14 and name HN) 1.8 0.0 4.2

assign (resid 16 and name HB#) (resid 23 and name HB#) 1.8 0.0 4.2 

assign (resid 16 and name HB#) (resid 38 and name HN) 1.8 0.0 4.2



assign (resid 16 and name HA) (resid 24 and name HB# ) 1.8 0.0 4.2 

assign (resid 16 and name HA) (resid 14 and name HE# ) 1.8 0.0 4.2 







!F17

!intra

assign (resid 17 and name HB#) (resid 17 and name HN) 1.8 0.0 1.7



!inter

assign (resid 17 and name HA) (resid 18 and name HN) 1.8 0.0 1.7


assign (resid 17 and name HE#) (resid 24 and name HN) 1.8 0.0 4.2


assign (resid 17 and name HZ) (resid 18 and name HA) 1.8 0.0 4.2 





!D18

!intra

assign (resid 18 and name HA) (resid 18 and name HN) 1.8 0.0 1.1

assign (resid 18 and name HB#) (resid 18 and name HN) 1.8 0.0 1.1


!inter

assign (resid 18 and name HN) (resid 23 and name HB#) 1.8 0.0 4.2

assign (resid 18 and name HA) (resid 17 and name HD2) 1.8 0.0 4.2

assign (resid 18 and name HB#) (resid 17 and name HD1) 1.8 0.0 4.2

assign (resid 18 and name HB#) (resid 17 and name HZ) 1.8 0.0 4.2

assign (resid 18 and name HB#) (resid 19 and name HB#) 1.8 0.0 4.2

assign (resid 18 and name HA) (resid 19 and name HN) 1.8 0.0 1.7 






!A19

!intra

assign (resid 19 and name HA) (resid 19 and name HN) 1.8 0.0 1.7

assign (resid 19 and name HB#) (resid 19 and name HN) 1.8 0.0 1.7

assign (resid 19 and name HA) (resid 19 and name HB#) 1.8 0.0 1.7


!inter

assign (resid 19 and name HA) (resid 20 and name HN) 1.8 0.0 1.7

assign (resid 19 and name HA) (resid 38 and name HB#) 1.8 0.0 4.2


assign (resid 19 and name HB#) (resid 17 and name HN) 1.8 0.0 4.2

assign (resid 19 and name HB#) (resid 18 and name HN) 1.8 0.0 4.2

assign (resid 19 and name HB#) (resid 20 and name HD#) 1.8 0.0 4.2

assign (resid 19 and name HB#) (resid 21 and name HB#) 1.8 0.0 4.2

assign (resid 19 and name HB#) (resid 25 and name HB#) 1.8 0.0 4.2

assign (resid 19 and name HB#) (resid 25 and name HD2#) 1.8 0.0 4.2

assign (resid 19 and name HB#) (resid 26 and name HN) 1.8 0.0 4.2

! assign (resid 19 and name HB#) (resid 46 and name HN) 1.8 0.0 4.2 

assign (resid 19 and name HN) (resid 38 and name HB# ) 1.8 0.0 4.2 

assign (resid 19 and name HN) (resid 23 and name HN ) 1.8 0.0 4.2 






!F20

!intra

assign (resid 20 and name HA) (resid 20 and name HN) 1.8 0.0 1.1

assign (resid 20 and name HB#) (resid 20 and name HN) 1.8 0.0 1.7


!inter

!assign (resid 20 and name HN) (resid 21 and name HN) 1.8 0.0 1.1

assign (resid 20 and name HB#) (resid 21 and name HB#) 1.8 0.0 4.2 







!S21

!intra

assign (resid 21 and name HA) (resid 21 and name HN) 1.8 0.0 1.1

assign (resid 21 and name HB#) (resid 21 and name HN) 1.8 0.0 1.1


!inter

assign (resid 21 and name HA) (resid 22 and name HN) 1.8 0.0 1.7

assign (resid 21 and name HN) (resid 20 and name HN) 1.8 0.0 1.1


assign (resid 21 and name HA) (resid 22 and name HA) 1.8 0.0 4.2


! assign (resid 21 and name HB#) (resid 23 and name HN) 1.8 0.0 4.2








!S22

!intra

assign (resid 22 and name HA) (resid 22 and name HN) 1.8 0.0 1.1

assign (resid 22 and name HB1) (resid 22 and name HN) 1.8 0.0 4.2
assign (resid 22 and name HB2) (resid 22 and name HN) 1.8 0.0 4.2


! inter

assign (resid 22 and name HN) (resid 24 and name HN) 1.8 0.0 4.2

assign (resid 22 and name HA) (resid 23 and name HN) 1.8 0.0 4.2

assign (resid 22 and name HA) (resid 24 and name HN) 1.8 0.0 4.2

assign (resid 22 and name HA) (resid 25 and name HN) 1.8 0.0 4.2

assign (resid 22 and name HA) (resid 26 and name HN) 1.8 0.0 4.2

assign (resid 22 and name HA) (resid 25 and name HB#) 1.8 0.0 4.2 ! d2o

assign (resid 22 and name HB#) (resid 23 and name HN) 1.8 0.0 4.2

assign (resid 22 and name HB#) (resid 23 and name HA) 1.8 0.0 4.2


assign (resid 22 and name HB#) (resid 19 and name HA) 1.8 0.0 4.2

assign (resid 22 and name HB#) (resid 25 and name HN) 1.8 0.0 4.2 

!!! assign (resid 22 and name HB#) (resid 23 and name HD#) 1.8 0.0 4.2   !! later

!!! assign (resid 22 and name HN) (resid 27 and name HG2#) 1.8 0.0 4.2 









!Y23

!intra

assign (resid 23 and name HB#) (resid 23 and name HE#) 1.8 0.0 4.2

assign (resid 23 and name HB1) (resid 23 and name HN) 1.8 0.0 1.7
assign (resid 23 and name HB2) (resid 23 and name HN) 1.8 0.0 1.7


!inter

assign (resid 23 and name HN) (resid 24 and name HN) 1.8 0.0 1.7

assign (resid 23 and name HN) (resid 25 and name HN) 1.8 0.0 4.2

assign (resid 23 and name HA) (resid 17 and name HD#) 1.8 0.0 4.2

assign (resid 23 and name HA) (resid 24 and name HN) 1.8 0.0 1.7

assign (resid 23 and name HA) (resid 24 and name HA) 1.8 0.0 4.2

assign (resid 23 and name HA) (resid 25 and name HN) 1.8 0.0 4.2

assign (resid 23 and name HA) (resid 26 and name HN) 1.8 0.0 4.2

assign (resid 23 and name HA) (resid 26 and name HA#) 1.8 0.0 4.2 


assign (resid 23 and name HB#) (resid 24 and name HN) 1.8 0.0 1.1

assign (resid 23 and name HB#) (resid 19 and name HA) 1.8 0.0 4.2

assign (resid 23 and name HD#) (resid 25 and name HD2#) 1.8 0.0 4.2

assign (resid 23 and name HD#) (resid 27 and name HN) 1.8 0.0 4.2

assign (resid 23 and name HE#) (resid 27 and name HN) 1.8 0.0 4.2 


assign (resid 23 and name HE#) (resid 16 and name HB#) 1.8 0.0 4.2











!C24

!intra

assign (resid 24 and name HA) (resid 24 and name HN) 1.8 0.0 1.7

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


!inter

assign (resid 24 and name HN) (resid 25 and name HN) 1.8 0.0 1.7

assign (resid 24 and name HN) (resid 26 and name HN) 1.8 0.0 4.2

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

assign (resid 24 and name HA) (resid 26 and name HN) 1.8 0.0 4.2

assign (resid 24 and name HA) (resid 27 and name HN) 1.8 0.0 4.2

assign (resid 24 and name HA) (resid 28 and name HN) 1.8 0.0 4.2

assign (resid 24 and name HA) (resid 27 and name HB) 1.8 0.0 4.2

assign (resid 24 and name HB#) (resid 23 and name HE#) 1.8 0.0 4.2

assign (resid 24 and name HB#) (resid 25 and name HD21) 1.8 0.0 1.7
assign (resid 24 and name HB#) (resid 25 and name HD22) 1.8 0.0 1.7

assign (resid 24 and name HB#) (resid 25 and name HN) 1.8 0.0 1.1


assign (resid 24 and name HB#) (resid 38 and name HN) 1.8 0.0 4.2

assign (resid 24 and name HB#) (resid 38 and name HA) 1.8 0.0 4.2












!N25

!intra

assign (resid 25 and name HA) (resid 25 and name HN) 1.8 0.0 1.1

assign (resid 25 and name HB#) (resid 25 and name HA) 1.8 0.0 1.1

assign (resid 25 and name HB#) (resid 25 and name HN) 1.8 0.0 1.7


!inter

!assign (resid 25 and name HN) (resid 26 and name HN) 1.8 0.0 1.7

! assign (resid 25 and name HN) (resid 28 and name HB#) 1.8 0.0 4.2


assign (resid 25 and name HN) (resid 27 and name HN) 1.8 0.0 4.2

assign (resid 25 and name HA) (resid 26 and name HN) 1.8 0.0 1.7


assign (resid 25 and name HA) (resid 28 and name HB#) 1.8 0.0 4.2

assign (resid 25 and name HB#) (resid 26 and name HN) 1.8 0.0 4.2












!G26

!intra

assign (resid 26 and name HA#) (resid 26 and name HN) 1.8 0.0 1.1


!inter

assign (resid 26 and name HN) (resid 25 and name HN) 1.8 0.0 1.1

assign (resid 26 and name HN) (resid 27 and name HN) 1.8 0.0 1.1

assign (resid 26 and name HA#) (resid 27 and name HA) 1.8 0.0 4.2

assign (resid 26 and name HA#) (resid 28 and name HN) 1.8 0.0 4.2

assign (resid 26 and name HA#) (resid 29 and name HN) 1.8 0.0 4.2

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

assign (resid 26 and name HA#) (resid 29 and name HB) 1.8 0.0 4.2

assign (resid 26 and name HA#) (resid 27 and name HB) 1.8 0.0 4.2 

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









!V27

!intra

assign (resid 27 and name HA) (resid 27 and name HN) 1.8 0.0 1.1

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

assign (resid 27 and name HG1#) (resid 27 and name HA) 1.8 0.0 1.7
assign (resid 27 and name HG2#) (resid 27 and name HA) 1.8 0.0 1.7

assign (resid 27 and name HG1#) (resid 27 and name HN) 1.8 0.0 4.2
assign (resid 27 and name HG2#) (resid 27 and name HN) 1.8 0.0 4.2





!inter

assign (resid 27 and name HN) (resid 26 and name HN) 1.8 0.0 1.1

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

assign (resid 27 and name HA) (resid 28 and name HN) 1.8 0.0 1.7

assign (resid 27 and name HB) (resid 28 and name HN) 1.8 0.0 4.2

assign (resid 27 and name HA) (resid 28 and name HA) 1.8 0.0 4.2

assign (resid 27 and name HA) (resid 30 and name HN) 1.8 0.0 4.2

assign (resid 27 and name HA) (resid 30 and name HB#) 1.8 0.0 4.2

assign (resid 27 and name HB) (resid 25 and name HD2#) 1.8 0.0 4.2

! assign (resid 27 and name HB) (resid 26 and name HA#) 1.8 0.0 4.2
! assign (resid 27 and name HB) (resid 26 and name HN) 1.8 0.0 4.2   !!!

!!! assign (resid 27 and name HB) (resid 30 and name HD#) 1.8 0.0 4.2


assign (resid 27 and name HG1#) (resid 24 and name HB#) 1.8 0.0 4.2
assign (resid 27 and name HG2#) (resid 24 and name HB#) 1.8 0.0 4.2

assign (resid 27 and name HG1#) (resid 28 and name HB#) 1.8 0.0 4.2 
assign (resid 27 and name HG2#) (resid 28 and name HB#) 1.8 0.0 4.2 


assign (resid 27 and name HG2#) (resid 26 and name HA#) 1.8 0.0 4.2

assign (resid 27 and (name HG1# or name HG2#)) (resid 26 and name HN) 1.8 0.0 4.2

assign (resid 27 and name HG2#) (resid 26 and name HN) 1.8 0.0 4.2

assign (resid 27 and name HG2#) (resid 23 and name HE#) 1.8 0.0 4.2















!C28

!intra

assign (resid 28 and name HA) (resid 28 and name HN) 1.8 0.0 1.1

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


!inter

assign (resid 28 and name HN) (resid 27 and name HN) 1.8 0.0 1.7

assign (resid 28 and name HN) (resid 30 and name HN) 1.8 0.0 4.2

assign (resid 28 and name HA) (resid 29 and name HN) 1.8 0.0 1.7

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

assign (resid 28 and name HB#) (resid 35 and name HN) 1.8 0.0 4.2


assign (resid 28 and name HB#) (resid 26 and name HN) 1.8 0.0 4.2

assign (resid 28 and name HB#) (resid 27 and name HA) 1.8 0.0 4.2 

assign (resid 28 and name HB#) (resid 27 and name HN) 1.8 0.0 4.2 

assign (resid 28 and name HB#) (resid 35 and name HA) 1.8 0.0 4.2 

! assign (resid 28 and name HA) (resid 33 and name HB#) 1.8 0.0 4.2 






!T29

!intra

assign (resid 29 and name HA) (resid 29 and name HN) 1.8 0.0 1.7

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

assign (resid 29 and name HG#) (resid 29 and name HN) 1.8 0.0 1.7


!inter

assign (resid 29 and name HA) (resid 30 and name HN) 1.8 0.0 1.7

assign (resid 29 and name HB#) (resid 30 and name HA) 1.8 0.0 4.2 

!assign (resid 29 and name HB#) (resid 30 and name HB#) 1.8 0.0 4.2 








!K30

!intra

assign (resid 30 and name HA) (resid 30 and name HN) 1.8 0.0 1.1

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


assign (resid 30 and name HB#) (resid 30 and name HN) 1.8 0.0 1.1

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


assign (resid 30 and name HG#) (resid 30 and name HN) 1.8 0.0 1.7

assign (resid 30 and name HD#) (resid 30 and name HN) 1.8 0.0 4.2

assign (resid 30 and name HE#) (resid 30 and name HN) 1.8 0.0 4.2


!inter

assign (resid 30 and name HA) (resid 31 and name HN) 1.8 0.0 1.7

assign (resid 30 and name HB#) (resid 27 and name HA) 1.8 0.0 4.2 


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

!!! assign (resid 30 and name HB1) (resid 29 and name HN) 1.8 0.0 4.2
assign (resid 30 and name HB2) (resid 29 and name HN) 1.8 0.0 4.2



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

assign (resid 30 and name HD#) (resid 29 and name HB#) 1.8 0.0 1.7

assign (resid 30 and name HD#) (resid 31 and name HN) 1.8 0.0 4.2

assign (resid 30 and name HG#) (resid 29 and name HB#) 1.8 0.0 4.2


assign (resid 30 and name HN) (resid 33 and name HN) 1.8 0.0 4.2

assign (resid 30 and name HB#) (resid 32 and name HN) 1.8 0.0 4.2
















!N31

!intra

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

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

assign (resid 31 and name HD#) (resid 31 and name HN) 1.8 0.0 4.2


!inter

assign (resid 31 and name HD2#) (resid 33 and name HN) 1.8 0.0 4.2









!G32

!intra

assign (resid 32 and name HA#) (resid 32 and name HN) 1.8 0.0 1.1


!inter

assign (resid 32 and name HA#) (resid 33 and name HN) 1.8 0.0 1.1

assign (resid 32 and name HA#) (resid 33 and name HB#) 1.8 0.0 4.2

assign (resid 32 and name HN) (resid 31 and name HN) 1.8 0.0 1.1

!assign (resid 32 and name HN) (resid 33 and name HN) 1.8 0.0 1.1

assign (resid 32 and name HA#) (resid 29 and name HG2#) 1.8 0.0 4.2 









!A33

!intra

assign (resid 33 and name HA) (resid 33 and name HN) 1.8 0.0 1.1

assign (resid 33 and name HB#) (resid 33 and name HA) 1.8 0.0 1.1

assign (resid 33 and name HB#) (resid 33 and name HN) 1.8 0.0 1.1



!inter

assign (resid 33 and name HN) (resid 32 and name HN) 1.8 0.0 1.1

assign (resid 33 and name HA) (resid 32 and name HN) 1.8 0.0 4.2

assign (resid 33 and name HA) (resid 34 and name HN) 1.8 0.0 4.2

assign (resid 33 and name HA) (resid 34 and name HA) 1.8 0.0 4.2 

assign (resid 33 and name HA) (resid 35 and name HN) 1.8 0.0 4.2


assign (resid 33 and name HA) (resid 34 and name HA) 1.8 0.0 4.2


assign (resid 33 and name HB#) (resid 32 and name HN) 1.8 0.0 4.2

assign (resid 33 and name HB#) (resid 34 and name HN) 1.8 0.0 1.1

assign (resid 33 and name HB#) (resid 35 and name HA) 1.8 0.0 4.2

! assign (resid 33 and name HB#) (resid 51 and name HN) 1.8 0.0 4.2















!K34

!intra

assign (resid 34 and name HA) (resid 34 and name HN) 1.8 0.0 1.7 


assign (resid 34 and name HB#) (resid 34 and name HN) 1.8 0.0 1.7

assign (resid 34 and name HD#) (resid 34 and name HB#) 1.8 0.0 1.7

assign (resid 34 and name HD1) (resid 34 and name HN) 1.8 0.0 4.2
assign (resid 34 and name HD2) (resid 34 and name HN) 1.8 0.0 4.2

assign (resid 34 and name HE#) (resid 34 and name HN) 1.8 0.0 4.2

assign (resid 34 and name HG#) (resid 34 and name HE#) 1.8 0.0 1.1

assign (resid 34 and name HG1) (resid 34 and name HN) 1.8 0.0 4.2
assign (resid 34 and name HG2) (resid 34 and name HN) 1.8 0.0 4.2


!inter

!assign (resid 34 and name HG#) (resid 52 and name HN) 1.8 0.0 4.2

!assign (resid 34 and name HA) (resid 52 and name HN) 1.8 0.0 4.2 


assign (resid 34 and name HD#) (resid 35 and name HN) 1.8 0.0 4.2

assign (resid 34 and name HB#) (resid 35 and name HN) 1.8 0.0 4.2 

assign (resid 34 and name HD#) (resid 51 and name HN) 1.8 0.0 4.2

assign (resid 34 and name HE#) (resid 51 and name HA) 1.8 0.0 4.2 

assign (resid 34 and name HE#) (resid 52 and name HA) 1.8 0.0 4.2 


!assign (resid 34 and name HD#) (resid 27 and name HA) 1.8 0.0 4.2 

assign (resid 34 and name HD#) (resid 33 and name HB#) 1.8 0.0 4.2 

assign (resid 34 and name HD#) (resid 36 and name HN) 1.8 0.0 4.2 




!S35

!intra

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 HA) 1.8 0.0 1.1

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


!inter

assign (resid 35 and name HN) (resid 51 and name HN) 1.8 0.0 4.2

assign (resid 35 and name HA) (resid 36 and name HN) 1.8 0.0 4.2

assign (resid 35 and name HA) (resid 29 and name HN) 1.8 0.0 4.2

assign (resid 35 and name HB#) (resid 37 and name HD#) 1.8 0.0 4.2 

assign (resid 35 and name HB#) (resid 25 and name HD2#) 1.8 0.0 4.2 






!G36

!intra

!assign (resid 36 and name HA1) (resid 36 and name HA2) 1.8 0.0 1.1

assign (resid 36 and name HA1) (resid 36 and name HN) 1.8 0.0 1.1

assign (resid 36 and name HA2) (resid 36 and name HN) 1.8 0.0 1.1


!inter

assign (resid 36 and name HA#) (resid 51 and name HN) 1.8 0.0 4.2

assign (resid 36 and name HA#) (resid 37 and name HN) 1.8 0.0 1.1


assign (resid 36 and name HA1) (resid 50 and name HA) 1.8 0.0 4.2
assign (resid 36 and name HA2) (resid 50 and name HA) 1.8 0.0 4.2

assign (resid 36 and name HA#) (resid 37 and name HA) 1.8 0.0 4.2 





!Y37

!intra

assign (resid 37 and name HA) (resid 37 and name HD#) 1.8 0.0 1.7

assign (resid 37 and name HB#) (resid 37 and name HD#) 1.8 0.0 1.7

assign (resid 37 and name HB#) (resid 37 and name HN) 1.8 0.0 1.7




!inter


assign (resid 37 and name HN) (resid 38 and name HN) 1.8 0.0 4.2

assign (resid 37 and name HN) (resid 38 and name HB# ) 1.8 0.0 4.2 

assign (resid 37 and name HN) (resid 49 and name HA) 1.8 0.0 4.2 

assign (resid 37 and name HN) (resid 51 and name HG1#) 1.8 0.0 4.2




assign (resid 37 and name HA) (resid 38 and name HN) 1.8 0.0 4.2

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

!!! assign (resid 37 and name HA) (resid 49 and name HH2) 1.8 0.0 4.2  

! assign (resid 37 and name HA) (resid 49 and name HD1) 1.8 0.0 4.2



assign (resid 37 and name HD#) (resid 25 and name HD2#) 1.8 0.0 4.2

assign (resid 37 and name HD#) (resid 39 and name HE#) 1.8 0.0 4.2

assign (resid 37 and name HD#) (resid 49 and name HA) 1.8 0.0 4.2 

assign (resid 37 and name HD#) (resid 49 and name HD1) 1.8 0.0 4.2



assign (resid 37 and name HE#) (resid 49 and name HE1) 1.8 0.0 4.2

assign (resid 37 and name HE#) (resid 49 and name HD1) 1.8 0.0 4.2

assign (resid 37 and name HE#) (resid 51 and name HG2#) 1.8 0.0 4.2













!C38

!intra

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


!inter



assign (resid 38 and name HA) (resid 39 and name HN) 1.8 0.0 1.1

assign (resid 38 and name HA) (resid 49 and name HN) 1.8 0.0 4.2

assign (resid 38 and name HA) (resid 48 and name HA) 1.8 0.0 4.2



assign (resid 38 and name HB#) (resid 37 and name HA) 1.8 0.0 4.2

assign (resid 38 and name HB#) (resid 39 and name HA) 1.8 0.0 4.2 

assign (resid 38 and name HB#) (resid 48 and name HN) 1.8 0.0 4.2 








!Q39

!intra

assign (resid 39 and name HA) (resid 39 and name HN) 1.8 0.0 1.7

assign (resid 39 and name HB#) (resid 39 and name HE2#) 1.8 0.0 1.7

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

assign (resid 39 and name HE2#) (resid 39 and name HA) 1.8 0.0 4.2

assign (resid 39 and name HG#) (resid 39 and name HE2#) 1.8 0.0 1.7

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


!inter

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

assign (resid 39 and name HN) (resid 47 and name HN) 1.8 0.0 4.2

assign (resid 39 and name HN) (resid 48 and name HA) 1.8 0.0 4.2



assign (resid 39 and name HA) (resid 40 and name HN) 1.8 0.0 1.7

assign (resid 39 and name HA) (resid 38 and name HB# ) 1.8 0.0 4.2 

!assign (resid 39 and name HA) (resid 49 and name HD1) 1.8 0.0 4.2



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

assign (resid 39 and name HB#) (resid 49 and name HH2) 1.8 0.0 4.2
 
assign (resid 39 and name HB#) (resid 49 and name HZ3) 1.8 0.0 4.2




assign (resid 39 and name HG#) (resid 40 and name HN) 1.8 0.0 4.2

assign (resid 39 and name HG#) (resid 38 and name HB#) 1.8 0.0 4.2 

assign (resid 39 and name HG#) (resid 40 and name HA) 1.8 0.0 4.2 

assign (resid 39 and name HG#) (resid 40 and name HA) 1.8 0.0 4.2 

assign (resid 39 and name HG#) (resid 46 and name HD2#) 1.8 0.0 4.2 




assign (resid 39 and name HE2#) (resid 40 and name HN) 1.8 0.0 4.2

assign (resid 39 and name HE2#) (resid 49 and name HZ2) 1.8 0.0 4.2

assign (resid 39 and name HE2#) (resid 49 and name HZ3) 1.8 0.0 4.2

assign (resid 39 and name HE2#) (resid 49 and name HD1) 1.8 0.0 4.2

assign (resid 39 and name HE2#) (resid 40 and name HG2#) 1.8 0.0 4.2






!I40

!intra

assign (resid 40 and name HB) (resid 40 and name HN) 1.8 0.0 4.2

assign (resid 40 and name HD1#) (resid 40 and name HN) 1.8 0.0 4.2

assign (resid 40 and name HG2#) (resid 40 and name HN) 1.8 0.0 4.2

assign (resid 40 and name HG1#) (resid 40 and name HG2#) 1.8 0.0 1.7

assign (resid 40 and name HG1#) (resid 40 and name HN) 1.8 0.0 4.2

assign (resid 40 and name HG2#) (resid 40 and name HD1#) 1.8 0.0 1.7

assign (resid 40 and name HG2#) (resid 40 and name HA) 1.8 0.0 1.7



!inter

assign (resid 40 and name HA) (resid 47 and name HN) 1.8 0.0 4.2

assign (resid 40 and name HA) (resid 46 and name HA) 1.8 0.0 4.2


assign (resid 40 and name HB) (resid 41 and name HA) 1.8 0.0 4.2

! assign (resid 40 and name HD1#) (resid 44 and name HD#) 1.8 0.0 4.2


assign (resid 40 and name HG1#) (resid 39 and name HB#) 1.8 0.0 4.2

assign (resid 40 and name HG1#) (resid 39 and name HE2#) 1.8 0.0 4.2

assign (resid 40 and name HG1#) (resid 46 and name HD2#) 1.8 0.0 4.2

assign (resid 40 and name HG2#) (resid 46 and name HB#) 1.8 0.0 4.2

assign (resid 40 and name HG2#) (resid 46 and name HD2#) 1.8 0.0 4.2

assign (resid 40 and name HG2#) (resid 47 and name HN) 1.8 0.0 4.2 

assign (resid 40 and name HA) (resid 41 and name HN) 1.8 0.0 4.2

assign (resid 40 and name HA) (resid 46 and name HD2#) 1.8 0.0 4.2

assign (resid 40 and name HG1#) (resid 41 and name HN) 1.8 0.0 4.2

assign (resid 40 and name HA) (resid 41 and name HB# ) 1.8 0.0 4.2 







!L41

!intra

assign (resid 41 and name HA) (resid 41 and name HN) 1.8 0.0 1.1

assign (resid 41 and name HB1) (resid 41 and name HN) 1.8 0.0 1.7
assign (resid 41 and name HB2) (resid 41 and name HN) 1.8 0.0 1.7

assign (resid 41 and name HB#) (resid 41 and name HA) 1.8 0.0 4.2


assign (resid 41 and name HD#) (resid 41 and name HB1) 1.8 0.0 1.7
assign (resid 41 and name HD#) (resid 41 and name HB2) 1.8 0.0 1.7

assign (resid 41 and name HD1#) (resid 41 and name HN) 1.8 0.0 4.2
assign (resid 41 and name HD2#) (resid 41 and name HN) 1.8 0.0 4.2

assign (resid 41 and name HG) (resid 41 and name HB#) 1.8 0.0 1.7

assign (resid 41 and name HG) (resid 41 and name HN) 1.8 0.0 4.2


!inter

assign (resid 41 and name HA) (resid 46 and name HN) 1.8 0.0 4.2

!assign (resid 41 and name HB#) (resid 39 and name HG#) 1.8 0.0 4.2 !3.52

assign (resid 41 and name HB1) (resid 40 and name HB) 1.8 0.0 4.2
assign (resid 41 and name HB2) (resid 40 and name HB) 1.8 0.0 4.2

assign (resid 41 and name HB#) (resid 45 and name HN) 1.8 0.0 4.2

assign (resid 41 and name HB#) (resid 42 and name HA#) 1.8 0.0 4.2



assign (resid 41 and name HB#) (resid 43 and name HN) 1.8 0.0 1.7


assign (resid 41 and name HD#) (resid 43 and name HB#) 1.8 0.0 4.2

assign (resid 41 and name HD#) (resid 44 and name HD#) 1.8 0.0 4.2

assign (resid 41 and name HD#) (resid 47 and name HA#) 1.8 0.0 4.2

assign (resid 41 and name HB#) (resid 45 and name HN) 1.8 0.0 4.2


assign (resid 41 and name HG) (resid 46 and name HA#) 1.8 0.0 4.2

assign (resid 41 and name HG) (resid 47 and name HA#) 1.8 0.0 4.2

assign (resid 41 and name HG) (resid 43 and name HN) 1.8 0.0 4.2


assign (resid 41 and name HG) (resid 46 and name HN) 1.8 0.0 4.2

assign (resid 41 and name HG) (resid 40 and name HG#) 1.8 0.0 4.2




assign (resid 41 and name HB#) (resid 44 and name HD#) 1.8 0.0 4.2

assign (resid 41 and name HD#) (resid 44 and name HD#) 1.8 0.0 4.2

assign (resid 41 and name HG) (resid 47 and name HA#) 1.8 0.0 4.2 

assign (resid 41 and name HB#) (resid 47 and name HA#) 1.8 0.0 4.2 












!G42

!inter

assign (resid 42 and name HN) (resid 41 and name HN) 1.8 0.0 4.2

!assign (resid 42 and name HN) (resid 43 and name HN) 1.8 0.0 1.1


!inter

assign (resid 42 and name HA#) (resid 43 and name HG#) 1.8 0.0 4.2



!T43

!intra

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

assign (resid 43 and name HG#) (resid 43 and name HB#) 1.8 0.0 1.1

assign (resid 43 and name HG#) (resid 43 and name HN) 1.8 0.0 1.1


!inter

assign (resid 43 and name HN) (resid 42 and name HN) 1.8 0.0 1.1

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


assign (resid 43 and name HB) (resid 44 and name HD#) 1.8 0.0 4.2

assign (resid 43 and name HB) (resid 44 and name HN) 1.8 0.0 4.2

assign (resid 43 and name HB) (resid 44 and name HD#) 1.8 0.0 4.2

assign (resid 43 and name HB) (resid 44 and name HE#) 1.8 0.0 4.2 

!!!! assign (resid 43 and name HB) (resid 45 and name HA#) 1.8 0.0 4.2   !!later


assign (resid 43 and name HG#) (resid 44 and name HN) 1.8 0.0 4.2

assign (resid 43 and name HG#) (resid 44 and name HD#) 1.8 0.0 4.2






!Y44

!intra

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

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

! assign (resid 44 and name HE#) (resid 44 and name HN) 1.8 0.0 4.2



!inter

assign (resid 44 and name HB#) (resid 43 and name HB#) 1.8 0.0 4.2


assign (resid 44 and name HD#) (resid 41 and name HB#) 1.8 0.0 4.2

! assign (resid 44 and name HD#) (resid 13 and name HG#) 1.8 0.0 4.2


assign (resid 44 and name HE#) (resid 43 and name HG#) 1.8 0.0 4.2







!G45

!intra

assign (resid 45 and name HA#) (resid 45 and name HN) 1.8 0.0 1.7

!inter

assign (resid 45 and name HN) (resid 41 and name HN) 1.8 0.0 4.2

assign (resid 45 and name HA#) (resid 46 and name HN) 1.8 0.0 4.2

assign (resid 45 and name HA#) (resid 44 and name HD#) 1.8 0.0 4.2 

!!! assign (resid 45 and name HA#) (resid 11 and name HB#) 1.8 0.0 4.2 




!N46

!intra

assign (resid 46 and name HA) (resid 46 and name HN) 1.8 0.0 1.1

assign (resid 46 and name HB1) (resid 46 and name HN) 1.8 0.0 1.7
assign (resid 46 and name HB2) (resid 46 and name HN) 1.8 0.0 1.7

!interl

! assign (resid 46 and name HN) (resid 45 and name HN) 1.8 0.0 1.1

assign (resid 46 and name HA) (resid 47 and name HN) 1.8 0.0 1.7

assign (resid 46 and name HD21) (resid 47 and name HA#) 1.8 0.0 4.2 





!G47

!intra

assign (resid 47 and name HA#) (resid 47 and name HN) 1.8 0.0 1.1


!inter

assign (resid 47 and name HA#) (resid 49 and name HZ3) 1.8 0.0 4.2


assign (resid 47 and name HN) (resid 39 and name HN) 1.8 0.0 4.2

assign (resid 47 and name HA#) (resid 48 and name HN) 1.8 0.0 1.1 

assign (resid 47 and name HA#) (resid 41 and name HD#) 1.8 0.0 4.2 

assign (resid 47 and name HA#) (resid 13 and name HG1# ) 1.8 0.0 4.2 

assign (resid 47 and name HN) (resid 48 and name HN ) 1.8 0.0 4.2 






!C48

!intra

assign (resid 48 and name HA) (resid 48 and name HN) 1.8 0.0 1.1

assign (resid 48 and name HB#) (resid 48 and name HN) 1.8 0.0 1.1


!inter

! assign (resid 48 and name HN) (resid 2 and name HG#) 1.8 0.0 4.2



assign (resid 48 and name HA) (resid 49 and name HN) 1.8 0.0 1.7


assign (resid 48 and name HA) (resid 38 and name HA) 1.8 0.0 4.2

assign (resid 48 and name HA) (resid 39 and name HN) 1.8 0.0 4.2



assign (resid 48 and name HB#) (resid 5 and name HA) 1.8 0.0 4.2

assign (resid 48 and name HA) (resid 49 and name HB#) 1.8 0.0 4.2 

!! assign (resid 48 and name HB#) (resid 37 and name HE#) 1.8 0.0 4.2 










!W49

!intra

assign (resid 49 and name HA) (resid 49 and name HN) 1.8 0.0 1.1

assign (resid 49 and name HB#) (resid 49 and name HN) 1.8 0.0 1.7

assign (resid 49 and name HD1) (resid 49 and name HN) 1.8 0.0 4.2




!inter

assign (resid 49 and name HA) (resid 37 and name HD#) 1.8 0.0 4.2 

assign (resid 49 and name HA) (resid 3 and name HN) 1.8 0.0 4.2 

assign (resid 49 and name HA) (resid 50 and name HN) 1.8 0.0 1.1

assign (resid 49 and name HB#) ((resid 39 or resid 50) and name HN) 1.8 0.0 4.2

assign (resid 49 and name HN) (resid 37 and name HN) 1.8 0.0 4.2

assign (resid 49 and name HN) (resid 38 and name HA) 1.8 0.0 4.2

! assign (resid 49 and name HE1) (resid 37 and name HA) 1.8 0.0 4.2 

! assign (resid 49 and name HA) (resid 47 and name HN) 1.8 0.0 4.2 

assign (resid 49 and name HD1) (resid 51 and name HD#) 1.8 0.0 4.2 

assign (resid 49 and name HB#) (resid 51 and name HG1#) 1.8 0.0 4.2 



!assign (resid 49 and name HZ) (resid 37 and name HD#) 1.8 0.0 4.2 


assign (resid 49 and name HA) (resid 37 and name HN) 1.8 0.0 4.2 

assign (resid 49 and name HB#) (resid 48 and name HA) 1.8 0.0 4.2 





!C50

!intra

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


assign (resid 50 and name HB#) (resid 50 and name HN) 1.8 0.0 1.7



!inter

assign (resid 50 and name HA) (resid 37 and name HN) 1.8 0.0 4.2

assign (resid 50 and name HA) (resid 51 and name HN) 1.8 0.0 1.7

assign (resid 50 and name HB#) (resid 3 and name HA) 1.8 0.0 4.2

assign (resid 50 and name HA) (resid 49 and name HD1) 1.8 0.0 4.2

assign (resid 50 and name HA) (resid 51 and name HA) 1.8 0.0 4.2



! assign (resid 50 and name HB#) (resid 4 and name HN) 1.8 0.0 4.2

assign (resid 50 and name HB#) (resid 36 and name HA#) 1.8 0.0 4.2

!!! assign (resid 50 and name HB#) (resid 34 and name HN) 1.8 0.0 4.2

assign (resid 50 and name HB#) (resid 2 and name HA) 1.8 0.0 4.2 




!I51

!intra

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

assign (resid 51 and name HG1#) (resid 51 and name HN) 1.8 0.0 4.2

assign (resid 51 and name HG2#) (resid 51 and name HN) 1.8 0.0 4.2

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

!inter

! assign (resid 51 and name HN) (resid 50 and name HN) 1.8 0.0 4.2

assign (resid 51 and name HA) (resid 52 and name HA) 1.8 0.0 4.2

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


assign (resid 51 and name HB) (resid 36 and name HA#) 1.8 0.0 4.2

assign (resid 51 and name HB) (resid 2 and name HD#) 1.8 0.0 4.2 

!! assign (resid 51 and name HB) (resid 53 and name HB#) 1.8 0.0 4.2 



assign (resid 51 and name HD1#) (resid 2 and name HG#) 1.8 0.0 4.2

assign (resid 51 and name HD1#) (resid 3 and name HN) 1.8 0.0 4.2

! assign (resid 51 and name HD1#) (resid 34 and name HD#) 1.8 0.0 4.2

assign (resid 51 and name HD1#) (resid 35 and name HB#) 1.8 0.0 4.2

assign (resid 51 and name HD1#) (resid 36 and name HA#) 1.8 0.0 4.2

assign (resid 51 and name HD1#) (resid 37 and name HE#) 1.8 0.0 4.2

assign (resid 51 and name HD1#) (resid 49 and name HE1) 1.8 0.0 4.2

assign (resid 51 and name HD1#) (resid 49 and name HN) 1.8 0.0 4.2 

assign (resid 51 and name HD1#) (resid 49 and name HB#) 1.8 0.0 4.2 

assign (resid 51 and name HD1#) (resid 49 and name HD1) 1.8 0.0 4.2

! assign (resid 51 and name HD1#) (resid 50 and name HB#) 1.8 0.0 4.2

! assign (resid 51 and name HD1#) (resid 53 and name HG) 1.8 0.0 4.2



!!!! assign (resid 51 and name HG1#) (resid 2 and name HA) 1.8 0.0 4.2   !! later

assign (resid 51 and name HG1#) (resid 37 and name HD#) 1.8 0.0 4.2

assign (resid 51 and name HG1#) (resid 37 and name HE#) 1.8 0.0 4.2

assign (resid 51 and name HG1#) (resid 49 and name HE1) 1.8 0.0 4.2

assign (resid 51 and name HG1#) (resid 50 and name HN) 1.8 0.0 4.2 

!!! assign (resid 51 and name HG1#) (resid 49 and name HN) 1.8 0.0 4.2 




assign (resid 51 and name HG2#) (resid 35 and name HN) 1.8 0.0 4.2

assign (resid 51 and name HG2#) (resid 49 and name HD1) 1.8 0.0 4.2

! assign (resid 51 and name HG2#) (resid 50 and name HB#) 1.8 0.0 4.2


! assign (resid 51 and name HG1#) (resid 60 and name HN) 1.8 0.0 4.2 

! assign (resid 51 and name HA) (resid 34 and name HN) 1.8 0.0 4.2 










!A52

!intra

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

assign (resid 52 and name HB#) (resid 52 and name HN) 1.8 0.0 1.7


!inter

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

! assign (resid 52 and name HA) (resid 33 and name HN) 1.8 0.0 4.2


assign (resid 52 and name HB#) (resid 33 and name HN) 1.8 0.0 4.2

assign (resid 52 and name HB#) (resid 34 and name HD#) 1.8 0.0 4.2

assign (resid 52 and name HB#) (resid 50 and name HB#) 1.8 0.0 4.2

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

assign (resid 52 and name HB#) (resid 1 and name HB#) 1.8 0.0 4.2 

assign (resid 52 and name HB#) (resid 2 and name HA) 1.8 0.0 4.2 












!L53

! intra

assign (resid 53 and name HB#) (resid 53 and name HN) 1.8 0.0 1.7

 assign (resid 53 and name HD#) (resid 53 and name HN) 1.8 0.0 4.2

assign (resid 53 and name HG) (resid 53 and name HN) 1.8 0.0 4.2


!inter

assign (resid 53 and name HA) (resid 54 and name HA) 1.8 0.0 4.2


assign (resid 53 and name HB#) (resid 2 and name HA) 1.8 0.0 4.2

assign (resid 53 and name HB#) (resid 52 and name HN) 1.8 0.0 4.2



assign (resid 53 and (name HD1# or name HD2#)) (resid 2 and name HA) 1.8 0.0 4.2

assign (resid 53 and (name HD1# or name HD2#)) (resid 2 and name HB#) 1.8 0.0 4.2

!!! assign (resid 53 and name HD#) (resid 33 and name HB#) 1.8 0.0 4.2

 assign (resid 53 and name HG#) (resid 56 and name HB#) 1.8 0.0 4.2

!!!  assign (resid 53 and name HA) (resid 2 and name HN) 1.8 0.0 4.2    

assign (resid 53 and name HA) (resid 52 and name HA) 1.8 0.0 4.2


!!! assign (resid 53 and name HG) (resid 52 and name HN) 1.8 0.0 4.2 

assign (resid 53 and name HG) (resid 55 and name HN) 1.8 0.0 4.2 

assign (resid 53 and name HG) (resid 53 and name HA) 1.8 0.0 4.2 

assign (resid 53 and name HG) (resid 55 and name HN) 1.8 0.0 4.2 

assign (resid 53 and name HG) (resid 1 and name HA) 1.8 0.0 4.2 











!P54

!intra

assign (resid 54 and name HB1) (resid 54 and name HA) 1.8 0.0 4.2

assign (resid 54 and name HB2) (resid 54 and name HA) 1.8 0.0 4.2


!inter


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

assign (resid 54 and name HA) (resid 56 and name HN) 1.8 0.0 4.2


assign (resid 54 and name HB#) (resid 53 and name HB#) 1.8 0.0 4.2

assign (resid 54 and name HB#) (resid 55 and name HN) 1.8 0.0 4.2

!!! assign (resid 54 and name HG#) (resid 1 and name HA) 1.8 0.0 4.2   !! later

assign (resid 54 and name HG#) (resid 53 and name HB#) 1.8 0.0 4.2

! assign (resid 54 and name HA) (resid 52 and name HB#) 1.8 0.0 4.2 

assign (resid 54 and name HA) (resid 53 and name HG# ) 1.8 0.0 4.2 

assign (resid 54 and name HB#) (resid 1 and name HA) 1.8 0.0 4.2

assign (resid 54 and name HB#) (resid 56 and name HB#) 1.8 0.0 4.2

assign (resid 54 and name HG#) (resid 53 and name HB#) 1.8 0.0 4.2 

assign (resid 54 and name HD#) (resid 53 and name HA) 1.8 0.0 4.2 



!D55

!intra

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


!inter

! assign (resid 55 and name HN) (resid 56 and name HN) 1.8 0.0 1.1

assign (resid 55 and name HB#) (resid 56 and name HD2#) 1.8 0.0 4.2

!!! assign (resid 55 and name HB#) (resid 53 and name HN) 1.8 0.0 4.2 










!N56

!intra

assign (resid 56 and name HA) (resid 56 and name HN) 1.8 0.0 1.1

assign (resid 56 and name HB#) (resid 56 and name HA) 1.8 0.0 1.1

! assign (resid 56 and name HD21) (resid 56 and name HD22) 1.8 0.0 1.1

assign (resid 56 and name HD21) (resid 56 and name HN) 1.8 0.0 4.2
assign (resid 56 and name HN) (resid 56 and name HD22) 1.8 0.0 4.2


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


!inter

assign (resid 56 and name HN) (resid 55 and name HN) 1.8 0.0 4.2

assign (resid 56 and name HA) (resid 57 and name HN) 1.8 0.0 1.7

assign (resid 56 and name HB#) (resid 55 and name HB#) 1.8 0.0 4.2











!V57

!intra

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 HN) 1.8 0.0 4.2

assign (resid 57 and name HG1#) (resid 57 and name HN) 1.8 0.0 4.2
assign (resid 57 and name HG2#) (resid 57 and name HN) 1.8 0.0 4.2


!inter


assign (resid 57 and name HB#) (resid 58 and name HD#) 1.8 0.0 4.2

assign (resid 57 and (name HG2# or name HG1#)) (resid 56 and name HD2#) 1.8 0.0 4.2

assign (resid 57 and (name HG2# or name HG1#)) (resid 59 and name HN) 1.8 0.0 4.2






!P58

!intra

assign (resid 58 and name HB#) (resid 58 and name HD#) 1.8 0.0 1.1


!inter


!!!! assign (resid 58 and name HB#) (resid 5 and name HD#) 1.8 0.0 4.2 

assign (resid 58 and name HB#) (resid 59 and name HN) 1.8 0.0 4.2

assign (resid 58 and name HD#) (resid 60 and name HN) 1.8 0.0 4.2

assign (resid 58 and name HD#) (resid 59 and name HA) 1.8 0.0 4.2

assign (resid 58 and name HB#) (resid 59 and name HG2#) 1.8 0.0 4.2 

assign (resid 58 and name HA) (resid 57 and name HN) 1.8 0.0 4.2 

! assign (resid 58 and name HB#) (resid 60 and name HD#) 1.8 0.0 4.2 

assign (resid 58 and name HB#) (resid 56 and name HA) 1.8 0.0 4.2 


assign (resid 58 and name HG#) (resid 60 and name HA) 1.8 0.0 4.2 






!I59

!intra

assign (resid 59 and name HA) (resid 59 and name HN) 1.8 0.0 1.1

assign (resid 59 and name HB) (resid 59 and name HN) 1.8 0.0 4.2

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

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

assign (resid 59 and name HG2#) (resid 59 and name HA) 1.8 0.0 1.7

assign (resid 59 and name HG2#) (resid 59 and name HN) 1.8 0.0 4.2


!inter

assign (resid 59 and name HN) (resid 60 and name HB#) 1.8 0.0 4.2


assign (resid 59 and name HA) (resid 61 and name HN) 1.8 0.0 4.2

assign (resid 59 and name HB) (resid 60 and name HN) 1.8 0.0 4.2


assign (resid 59 and name HD#) (resid 58 and name HG#) 1.8 0.0 4.2

assign (resid 59 and name HD#) (resid 58 and name HD#) 1.8 0.0 4.2

assign (resid 59 and name HG1#) (resid 58 and name HB#) 1.8 0.0 4.2

assign (resid 59 and name HG1#) (resid 5 and name HD#) 1.8 0.0 4.2


assign (resid 59 and name HG1#) (resid 60 and name HN) 1.8 0.0 4.2

assign (resid 59 and name HG1#) (resid 61 and name HG1#) 1.8 0.0 4.2

assign (resid 59 and name HG1#) (resid 61 and name HN) 1.8 0.0 4.2

assign (resid 59 and name HG1#) (resid 5 and name HN) 1.8 0.0 4.2 

assign (resid 59 and name HG2#) (resid 58 and name HD#) 1.8 0.0 4.2

assign (resid 59 and name HG2#) (resid 58 and name HA) 1.8 0.0 4.2

assign (resid 59 and name HG2#) (resid 58 and name HG#) 1.8 0.0 4.2


!!!! assign (resid 59 and name HD#) (resid 3 and name HN) 1.8 0.0 4.2 

assign (resid 59 and name HB#) (resid 60 and name HN) 1.8 0.0 4.2 

assign (resid 59 and name HG1#) (resid 58 and name HA) 1.8 0.0 4.2 

assign (resid 59 and name HA) (resid 61 and name HG1#) 1.8 0.0 4.2  






!R60

!intra

assign (resid 60 and name HA) (resid 60 and name HN) 1.8 0.0 1.1

assign (resid 60 and name HD#) (resid 60 and name HN) 1.8 0.0 4.2

assign (resid 60 and name HG#) (resid 60 and name HN) 1.8 0.0 4.2


!inter


assign (resid 60 and name HN) (resid 61 and name HG2#) 1.8 0.0 4.2

assign (resid 60 and name HA) (resid 61 and name HN) 1.8 0.0 1.7


assign (resid 60 and name HB#) (resid 59 and name HN) 1.8 0.0 4.2

assign (resid 60 and name HG#) (resid 61 and name HG1#) 1.8 0.0 4.2 

!!! assign (resid 60 and name HG#) (resid 62 and name HG#) 1.8 0.0 4.2 

assign (resid 60 and name HD#) (resid 59 and name HN) 1.8 0.0 4.2 




!I61

!intra

assign (resid 61 and name HB) (resid 61 and name HN) 1.8 0.0 4.2

assign (resid 61 and name HD1#) (resid 61 and name HB) 1.8 0.0 1.7

assign (resid 61 and name HD1#) (resid 61 and name HN) 1.8 0.0 4.2

assign (resid 61 and name HG2#) (resid 61 and name HN) 1.8 0.0 4.2

assign (resid 61 and name HG1#) (resid 61 and name HG2#) 1.8 0.0 1.1

assign (resid 61 and name HG1#) (resid 61 and name HN) 1.8 0.0 4.2

assign (resid 61 and name HG2#) (resid 61 and name HA) 1.8 0.0 1.7

assign (resid 61 and name HG1#) (resid 61 and name HA) 1.8 0.0 4.2 


!inter

assign (resid 61 and name HA) (resid 62 and name HG#) 1.8 0.0 4.2


assign (resid 61 and name HB) (resid 62 and name HA) 1.8 0.0 4.2

assign (resid 61 and name HB) (resid 62 and name HB#) 1.8 0.0 4.2

assign (resid 61 and name HB) (resid 60 and name HD#) 1.8 0.0 4.2

! assign (resid 61 and name HB) (resid 10 and name HB#) 1.8 0.0 4.2


assign (resid 61 and name HD1#) (resid 59 and name HN) 1.8 0.0 4.2

assign (resid 61 and name HD1#) (resid 60 and name HN) 1.8 0.0 4.2


! assign (resid 61 and name HD1#) (resid 66 and name HD1) 1.8 0.0 4.2

!!!! assign (resid 61 and name HD1#) (resid 66 and name HN) 1.8 0.0 4.2 

assign (resid 61 and name HG1#) (resid 60 and name HD#) 1.8 0.0 4.2

assign (resid 61 and name HG1#) (resid 65 and name HN) 1.8 0.0 4.2

assign (resid 61 and name HN) (resid 59 and name HN) 1.8 0.0 4.2

assign (resid 61 and name HG1#) (resid 63 and name HA#) 1.8 0.0 4.2 









!P62

!intra

assign (resid 62 and name HB#) (resid 62 and name HA) 1.8 0.0 1.1

assign (resid 62 and name HG#) (resid 62 and name HA) 1.8 0.0 4.2


assign (resid 62 and name HG#) (resid 62 and name HB#) 1.8 0.0 4.2

!inter

assign (resid 62 and name HG#) (resid 64 and name HE#) 1.8 0.0 4.2

assign (resid 62 and name HG#) (resid 63 and name HA#) 1.8 0.0 4.2 

assign (resid 62 and name HG#) (resid 64 and name HG#) 1.8 0.0 3.2 






!G63

!intra

assign (resid 63 and name HA1) (resid 63 and name HN) 1.8 0.0 1.1
assign (resid 63 and name HA2) (resid 63 and name HN) 1.8 0.0 1.1


!inter

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 4.2



!K64

!intra

assign (resid 64 and name HA) (resid 64 and name HN) 1.8 0.0 1.1

assign (resid 64 and name HB#) (resid 64 and name HN) 1.8 0.0 1.7

assign (resid 64 and name HD#) (resid 64 and name HN) 1.8 0.0 4.2

assign (resid 64 and name HG#) (resid 64 and name HE#) 1.8 0.0 1.7

assign (resid 64 and name HG#) (resid 64 and name HN) 1.8 0.0 4.2

assign (resid 64 and name HE#) (resid 64 and name HN) 1.8 0.0 4.2


!inter



assign (resid 64 and name HN) (resid 65 and name HN) 1.8 0.0 4.2

assign (resid 64 and name HA) (resid 65 and name HN) 1.8 0.0 1.7

assign (resid 64 and name HB#) (resid 65 and name HN) 1.8 0.0 4.2

assign (resid 64 and name HD#) (resid 65 and name HN) 1.8 0.0 4.2

assign (resid 64 and name HG#) (resid 65 and name HN) 1.8 0.0 4.2

!!!! assign (resid 64 and name HA) (resid 11 and name HD2#) 1.8 0.0 4.2 

assign (resid 64 and name HB#) (resid 61 and name HA ) 1.8 0.0 4.2 

assign (resid 64 and name HB#) (resid 65 and name HA) 1.8 0.0 4.2 

!!! assign (resid 64 and name HD#) (resid 63 and name HA#) 1.8 0.0 4.2 








!C65

!intra

assign (resid 65 and name HB1) (resid 65 and name HN) 1.8 0.0 4.2
assign (resid 65 and name HB2) (resid 65 and name HN) 1.8 0.0 4.2


!inter

assign (resid 65 and name HA) (resid 11 and name HB#) 1.8 0.0 4.2

! assign (resid 65 and name HB#) (resid 11 and name HD2#) 1.8 0.0 4.2

!!!! assign (resid 65 and name HB#) (resid 11 and name HN) 1.8 0.0 4.2 after

assign (resid 65 and name HB#) (resid 11 and name HA) 1.8 0.0 4.2


assign (resid 65 and name HB#) (resid 64 and name HE#) 1.8 0.0 4.2

assign (resid 65 and name HB#) (resid 64 and name HN) 1.8 0.0 4.2

assign (resid 65 and name HB#) (resid 66 and name HA) 1.8 0.0 4.2


assign (resid 65 and name HB#) (resid 66 and name HD1) 1.8 0.0 4.2

assign (resid 65 and name HN) (resid 64 and name HN) 1.8 0.0 4.2













!H66

!intra

assign (resid 66 and name HA) (resid 66 and name HE1) 1.8 0.0 4.2

assign (resid 66 and name HB1) (resid 66 and name HN) 1.8 0.0 4.2
assign (resid 66 and name HB2) (resid 66 and name HN) 1.8 0.0 4.2


assign (resid 66 and name HB#) (resid 66 and name HD1) 1.8 0.0 1.7




!inter

 

assign (resid 66 and name HA) (resid 65 and name HN) 1.8 0.0 4.2








Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, May 23, 2024 4:30:19 PM GMT (wattos1)