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
564236 2ma1 19317 cing 1-original 3 XPLOR/CNS distance NOE ambi


! H536

! intra

assign (residue 536 and name HD2) (residue 536 and name HB#) 1.8 0.0 4.2

! inter







! D537

! intra



assign (resid 537 and name HA) (resid 537 and name HN) 1.8 0.0 1.7

assign (resid 537 and name HN) (resid 537 and name HB1) 1.8 0.0 4.2
assign (resid 537 and name HN) (resid 537 and name HB2) 1.8 0.0 4.2
 


! inter



assign (resid 537 and name HN) (resid 536 and name HB#) 1.8 0.0 4.2    

assign (resid 537 and name HN) (resid 575 and name HG#) 1.8 0.0 4.2


assign (resid 537 and name HN) (resid 539 and name HD#) 1.8 0.0 4.2

assign (resid 537 and name HN) (resid 536 and name HA) 1.8 0.0 1.7


assign (resid 537 and name HA) (resid 538 and name HN) 1.8 0.0 1.7 

assign (resid 537 and name HA) (resid 539 and name HD#) 1.8 0.0 4.2

assign (resid 537 and name HB#) (resid 539 and name HG#) 1.8 0.0 4.2   ! 20130425




! A538

!intra

assign (resid 538 and name HN) (resid 538 and name HB#) 1.8 0.0 1.1 

assign (resid 538 and name HA) (resid 538 and name HN) 1.8 0.0 1.7


!inter

assign (resid 538 and name HN) (resid 537 and name HB1) 1.8 0.0 4.2
assign (resid 538 and name HN) (resid 537 and name HB2) 1.8 0.0 4.2

assign (resid 538 and name HN) (resid 539 and name HD#) 1.8 0.0 1.1 

assign (resid 538 and name HN) (resid 539 and name HG#) 1.8 0.0 4.2  ! added 201005


assign (resid 538 and name HA) (resid 539 and name HD#) 1.8 0.0 1.7

! assign (resid 538 and name HB#) (resid 539 and name HD#) 1.8 0.0 1.1 

! assign (resid 538 and name HA) (resid 541 and name HB#) 1.8 0.0 1.7 




!P539

!intra



assign (resid 539 and name HB#) (resid 539 and name HD#) 1.8 0.0 1.1

assign (resid 539 and name HA) (resid 539 and name HG#) 1.8 0.0 1.7 

assign (resid 539 and name HA) (resid 539 and name HD#) 1.8 0.0 1.7 



!inter


assign (resid 539 and name HA) (resid 540 and name HN) 1.8 0.0 1.7

!assign (resid 539 and name HA) (resid 542 and name HB#) 1.8 0.0 4.2 

!assign (resid 539 and name HA) (resid 543 and name HN) 1.8 0.0 4.2 









! L540

!intra

assign (resid 540 and name HN) (resid 540 and name HD#) 1.8 0.0 4.2

assign (resid 540 and name HN) (resid 540 and name HG) 1.8 0.0 4.2

assign (resid 540 and name HN) (resid 540 and name HB1) 1.8 0.0 1.7 
assign (resid 540 and name HN) (resid 540 and name HB2) 1.8 0.0 1.7 

assign (resid 540 and name HN) (resid 540 and name HA) 1.8 0.0 1.7 

assign (resid 540 and name HA) (resid 540 and name HD#) 1.8 0.0 1.7

assign (resid 540 and name HD#) (resid 540 and name HB1) 1.8 0.0 1.7
assign (resid 540 and name HD#) (resid 540 and name HB2) 1.8 0.0 1.7



!inter

assign (resid 540 and name HN) (resid 539 and name HB#) 1.8 0.0 4.2

assign (resid 540 and name HN) (resid 542 and name HN) 1.8 0.0 4.2

assign (resid 540 and name HN) (resid 538 and name HA) 1.8 0.0 4.2

assign (resid 540 and name HN) (resid 539 and name HA) 1.8 0.0 1.7
 
assign (resid 540 and name HN) (resid 539 and name HD#) 1.8 0.0 1.7 

assign (resid 540 and name HN) (resid 572 and name HA) 1.8 0.0 4.2

assign (resid 540 and name HD#) (resid 572 and name HA) 1.8 0.0 4.2  

assign (resid 540 and name HD#) (resid 572 and name HB#) 1.8 0.0 4.2  







!F541

!intra

assign (resid 541 and name HN) (resid 541 and name HD#) 1.8 0.0 4.2

assign (resid 541 and name HN) (resid 541 and name HB1) 1.8 0.0 1.7 
assign (resid 541 and name HB2) (resid 541 and name HN) 1.8 0.0 1.7
 
assign (resid 541 and name HA) (resid 541 and name HN) 1.8 0.0 1.7

assign (resid 541 and name HB1) (resid 541 and name HD#) 1.8 0.0 1.1
assign (resid 541 and name HB2) (resid 541 and name HD#) 1.8 0.0 1.1


assign (residue 541 and name HD#) (residue 541 and name HA) 1.8 0.0 4.2



!inter

assign (resid 541 and name HN) (resid 540 and name HD#) 1.8 0.0 4.2

! assign (resid 541 and name HN) (resid 542 and name HA) 1.8 0.0 4.2   ! check
! assign (resid 541 and name HN) (resid 543 and name HB#) 1.8 0.0 1.1   ! vio

assign (resid 541 and name HN) (resid 540 and name HA) 1.8 0.0 1.7
 
assign (resid 541 and name HN) (resid 540 and name HB#) 1.8 0.0 1.7 

assign (resid 541 and name HN) (resid 540 and name HN) 1.8 0.0 1.7 

assign (resid 541 and name HN) (resid 542 and name HN) 1.8 0.0 1.7 

assign (resid 541 and name HN) (resid 543 and name HN) 1.8 0.0 4.2 



assign (resid 541 and name HA) (resid 544 and name HB1) 1.8 0.0 4.2
assign (resid 541 and name HA) (resid 544 and name HB2) 1.8 0.0 4.2

assign (resid 541 and name HA) (resid 544 and name HD#) 1.8 0.0 4.2

assign (resid 541 and name HA) (resid 544 and name HN) 1.8 0.0 1.7


assign (residue 541 and name HD#) (residue 545 and name HA) 1.8 0.0 4.2 

assign (residue 541 and name HD#) (residue 572 and name HB#) 1.8 0.0 4.2 
! not 545HB#

assign (residue 541 and name HD#) (residue 542 and name HG#) 1.8 0.0 4.2

! assign (residue 541 and name HZ) (residue 549 and name HA) 1.8 0.0 4.2  ! vio

assign (residue 541 and name HZ) (residue 562 and name HD1#) 1.8 0.0 4.5  ! vio

assign (residue 541 and name HZ) (residue 571 and name HD1#) 1.8 0.0 4.2

assign (resid 541 and name HB1) (resid 572 and name HB#) 1.8 0.0 3.2  !new_0724
assign (resid 541 and name HB2) (resid 572 and name HB#) 1.8 0.0 3.2  !new_0724








!E542


!intra


assign (resid 542 and name HN) (resid 542 and name HB#) 1.8 0.0 1.7 

assign (resid 542 and name HN) (resid 542 and name HG#) 1.8 0.0 4.2 

assign (resid 542 and name HN) (resid 542 and name HA) 1.8 0.0 1.7

assign (resid 542 and name HA) (resid 542 and name HG#) 1.8 0.0 1.7


!inter

!assign (resid 542 and name HN) (resid 538 and name HA) 1.8 0.0 4.2 

assign (resid 542 and name HN) (resid 540 and name HN) 1.8 0.0 4.2

assign (resid 542 and name HN) (resid 541 and name HA) 1.8 0.0 4.2

assign (resid 542 and name HN) (resid 541 and name HD#) 1.8 0.0 4.2

assign (resid 542 and name HN) (resid 540 and name HA) 1.8 0.0 4.2
 
assign (resid 542 and name HN) (resid 541 and name HB1) 1.8 0.0 4.2 
assign (resid 542 and name HN) (resid 541 and name HB2) 1.8 0.0 4.2 

assign (resid 542 and name HN) (resid 544 and name HN) 1.8 0.0 4.2 

assign (resid 542 and name HN) (resid 572 and name HB#) 1.8 0.0 4.2  ! added 201005


assign (resid 542 and name HA) (resid 545 and name HB#) 1.8 0.0 4.2

assign (resid 542 and name HG#) (resid 541 and name HD#) 1.8 0.0 4.2







!A543

!intra

assign (resid 543 and name HN) (resid 543 and name HA) 1.8 0.0 1.1 

assign (resid 543 and name HN) (resid 543 and name HB#) 1.8 0.0 1.7 


!inter

assign (resid 543 and name HN) (resid 540 and name HD#) 1.8 0.0 4.2

assign (resid 543 and name HN) (resid 542 and name HA) 1.8 0.0 4.2

assign (resid 543 and name HN) (resid 542 and name HG#) 1.8 0.0 4.2

assign (resid 543 and name HN) (resid 544 and name HD#) 1.8 0.0 4.2

assign (resid 543 and name HN) (resid 540 and name HA) 1.8 0.0 4.2 

assign (resid 543 and name HN) (resid 541 and name HA) 1.8 0.0 4.2 

assign (resid 543 and name HN) (resid 542 and name HA) 1.8 0.0 1.7 

assign (resid 543 and name HN) (resid 542 and name HB#) 1.8 0.0 1.7 

assign (resid 543 and name HN) (resid 542 and name HN) 1.8 0.0 1.7 

assign (resid 543 and name HN) (resid 544 and name HN) 1.8 0.0 1.7 
 
assign (resid 543 and name HN) (resid 545 and name HN) 1.8 0.0 4.2 


assign (resid 543 and name HA) (resid 546 and name HN) 1.8 0.0 4.2






!L544

!intra

assign (resid 544 and name HN) (resid 544 and name HA) 1.8 0.0 1.1 

assign (resid 544 and name HN) (resid 544 and name HB1) 1.8 0.0 1.7 
assign (resid 544 and name HN) (resid 544 and name HB2) 1.8 0.0 1.7 

assign (resid 544 and name HN) (resid 544 and name HD1#) 1.8 0.0 4.2 
assign (resid 544 and name HD2#) (resid 544 and name HN) 1.8 0.0 4.2


assign (resid 544 and name HN) (resid 544 and name HG) 1.8 0.0 4.2
 

assign (resid 544 and name HA) (resid 544 and name HD1#) 1.8 0.0 1.7
assign (resid 544 and name HA) (resid 544 and name HD2#) 1.8 0.0 17

assign (resid 544 and name HA) (resid 544 and name HG) 1.8 0.0 4.2

assign (resid 544 and name HB#) (resid 544 and name HD1#) 1.8 0.0 1.7

assign (resid 544 and name HD2#) (resid 544 and name HB1) 1.8 0.0 1.7
assign (resid 544 and name HD2#) (resid 544 and name HB2) 1.8 0.0 1.7






!inter

assign (resid 544 and name HN) (resid 542 and name HA) 1.8 0.0 4.2

! assign (resid 544 and name HN) (resid 545 and name HA) 1.8 0.0 4.2  ! vio, confirmed

assign (resid 544 and name HN) (resid 540 and name HA) 1.8 0.0 4.2 

assign (resid 544 and name HN) (resid 541 and name HA) 1.8 0.0 4.2
  
assign (resid 544 and name HN) (resid 546 and name HN) 1.8 0.0 4.2 

! assign (resid 544 and name HN) (resid 569 and name HG2#) 1.8 0.0 4.2  ! added 201005
! hrdc1_noe.tbl


assign (resid 544 and name HA) (resid 547 and name HB1) 1.8 0.0 4.2
assign (resid 544 and name HA) (resid 547 and name HB2) 1.8 0.0 4.2


!!! --------20110728added

assign (resid 544 and name HD#) (resid 600 and name HA) 1.8 0.0 3.2 

assign (resid 544 and name HD#) (resid 603 and name HA) 1.8 0.0 4.2 






!R545

!intra

assign (resid 545 and name HN) (resid 545 and name HD#) 1.8 0.0 4.2

assign (resid 545 and name HN) (resid 545 and name HB#) 1.8 0.0 1.1 

assign (resid 545 and name HN) (resid 545 and name HA) 1.8 0.0 1.7 

assign (resid 545 and name HN) (resid 545 and name HG1) 1.8 0.0 4.2 
assign (resid 545 and name HN) (resid 545 and name HG2) 1.8 0.0 4.2 

assign (resid 545 and name HA) (resid 545 and name HG1) 1.8 0.0 4.2
assign (resid 545 and name HA) (resid 545 and name HG2) 1.8 0.0 4.2

assign (resid 545 and name HA) (resid 545 and name HD#) 1.8 0.0 4.2

assign (resid 545 and name HD1) (resid 545 and name HB#) 1.8 0.0 1.7
assign (resid 545 and name HD2) (resid 545 and name HB#) 1.8 0.0 1.7



!inter


assign (resid 545 and name HN) (resid 541 and name HA) 1.8 0.0 4.2

assign (resid 545 and name HN) (resid 542 and name HA) 1.8 0.0 4.2 

assign (resid 545 and name HN) (resid 543 and name HA) 1.8 0.0 4.2 

assign (resid 545 and name HN) (resid 544 and name HA) 1.8 0.0 1.7 

assign (resid 545 and name HN) (resid 544 and name HB1) 1.8 0.0 4.2 
assign (resid 545 and name HN) (resid 544 and name HB2) 1.8 0.0 4.2 

assign (resid 545 and name HN) (resid 544 and name HD1#) 1.8 0.0 4.2 
assign (resid 545 and name HN) (resid 544 and name HD2#) 1.8 0.0 4.2 

assign (resid 545 and name HN) (resid 544 and name HN) 1.8 0.0 1.7 


assign (resid 545 and name HA) (resid 548 and name HB1) 1.8 0.0 4.2 
assign (resid 545 and name HA) (resid 548 and name HB2) 1.8 0.0 4.2

assign (resid 545 and name HA) (resid 544 and name HD1#) 1.8 0.0 4.2
assign (resid 545 and name HA) (resid 544 and name HD2#) 1.8 0.0 4.2






!A546

!intra

assign (resid 546 and name HN) (resid 546 and name HA) 1.8 0.0 1.1 

assign (resid 546 and name HN) (resid 546 and name HB#) 1.8 0.0 1.1
 


!inter

assign (resid 546 and name HN) (resid 542 and name HA) 1.8 0.0 4.2

assign (resid 546 and name HN) (resid 544 and name HD1#) 1.8 0.0 4.5
assign (resid 546 and name HN) (resid 544 and name HD2#) 1.8 0.0 4.5

assign (resid 546 and name HN) (resid 545 and name HG1) 1.8 0.0 4.2
assign (resid 546 and name HN) (resid 545 and name HG2) 1.8 0.0 4.2

assign (resid 546 and name HN) (resid 547 and name HB#) 1.8 0.0 4.2

assign (resid 546 and name HN) (resid 547 and name HN) 1.8 0.0 4.2

assign (resid 546 and name HN) (resid 544 and name HA) 1.8 0.0 4.2 

assign (resid 546 and name HN) (resid 545 and name HA) 1.8 0.0 1.7 

assign (resid 546 and name HN) (resid 545 and name HB#) 1.8 0.0 1.7
 
assign (resid 546 and name HN) (resid 545 and name HN) 1.8 0.0 1.7 










!W547

!intra

assign (resid 547 and name HN) (resid 547 and name HD1) 1.8 0.0 4.2

assign (resid 547 and name HN) (resid 547 and name HA) 1.8 0.0 1.1 

assign (resid 547 and name HN) (resid 547 and name HB1) 1.8 0.0 1.7 
assign (resid 547 and name HN) (resid 547 and name HB2) 1.8 0.0 1.7 

assign (resid 547 and name HN) (resid 547 and name HD1) 1.8 0.0 4.2 

assign (residue 547 and name HD1) (residue 547 and name HA) 1.8 0.0 4.2

assign (residue 547 and name HD1) (residue 547 and name HB1) 1.8 0.0 4.2
assign (residue 547 and name HD1) (residue 547 and name HB2) 1.8 0.0 4.2

assign (resid 547 and name HD1) (resid 547 and name HE1) 1.8 0.0 1.7 



!inter

! assign (resid 547 and name HN) (resid 548 and name HB1) 1.8 0.0 4.2
! assign (resid 547 and name HN) (resid 548 and name HB2) 1.8 0.0 4.2

assign (resid 547 and name HN) (resid 548 and name HN) 1.8 0.0 1.1 

assign (resid 547 and name HN) (resid 546 and name HB#) 1.8 0.0 1.1 

assign (resid 547 and name HA) (resid 550 and name HB#) 1.8 0.0 4.2

assign (resid 547 and name HN) (resid 544 and name HA) 1.8 0.0 4.2 

assign (resid 547 and name HN) (resid 546 and name HA) 1.8 0.0 1.7 

assign (resid 547 and name HN) (resid 549 and name HN) 1.8 0.0 4.2 

assign (residue 547 and name HD1) (residue 548 and name HB#) 1.8 0.0 5.2

assign (resid 547 and name HB1) (resid 549 and name HN) 1.8 0.0 4.2 
assign (resid 547 and name HB2) (resid 549 and name HN) 1.8 0.0 4.2 

assign (resid 547 and name HA) (resid 550 and name HG#) 1.8 0.0 4.2 

assign (resid 547 and name HD1) (resid 544 and (name HD1# or name HD2#)) 1.8 0.0 4.2 

assign (resid 547 and name HB1) (resid 544 and name HA) 1.8 0.0 4.2 
assign (resid 547 and name HB2) (resid 544 and name HA) 1.8 0.0 4.2 



!R548

!intra

assign (resid 548 and name HN) (resid 548 and name HE) 1.8 0.0 4.5

assign (resid 548 and name HN) (resid 548 and name HB1) 1.8 0.0 1.7 
assign (resid 548 and name HN) (resid 548 and name HB2) 1.8 0.0 1.7 

assign (resid 548 and name HN) (resid 548 and name HA) 1.8 0.0 1.7 

assign (resid 548 and name HN) (resid 548 and name HG1) 1.8 0.0 4.2
assign (resid 548 and name HN) (resid 548 and name HG2) 1.8 0.0 4.2 

assign (resid 548 and name HA) (resid 548 and name HG#) 1.8 0.0 1.7

assign (resid 548 and name HB1) (resid 548 and name HD1) 1.8 0.0 3.2
assign (resid 548 and name HB2) (resid 548 and name HD1) 1.8 0.0 3.2

assign (resid 548 and name HD1) (resid 548 and name HA) 1.8 0.0 4.2
assign (resid 548 and name HD2) (resid 548 and name HA) 1.8 0.0 4.2

assign (resid 548 and name HA) (resid 548 and name HH#) 1.8 0.0 4.2 


assign (resid 548 and name HD1) (resid 548 and name HG#) 1.8 0.0 1.7  
assign (resid 548 and name HD2) (resid 548 and name HG#) 1.8 0.0 1.7  

assign (resid 548 and name HD#) (resid 548 and name HB1) 1.8 0.0 3.2  
assign (resid 548 and name HD#) (resid 548 and name HB2) 1.8 0.0 3.2  

assign (resid 548 and name HD1) (resid 548 and name HE#) 1.8 0.0 1.7  
assign (resid 548 and name HD2) (resid 548 and name HE#) 1.8 0.0 1.7  


!inter

assign (resid 548 and name HN) (resid 544 and name HA) 1.8 0.0 4.2


assign (resid 548 and name HN) (resid 545 and name HA) 1.8 0.0 4.2 

assign (resid 548 and name HN) (resid 546 and name HA) 1.8 0.0 4.2

assign (resid 548 and name HN) (resid 546 and name HN) 1.8 0.0 4.2 

assign (resid 548 and name HN) (resid 547 and name HA) 1.8 0.0 1.7 

assign (resid 548 and name HN) (resid 547 and name HB1) 1.8 0.0 4.2 
assign (resid 548 and name HN) (resid 547 and name HB2) 1.8 0.0 4.2 

! assign (resid 548 and name HN) (resid 550 and name HA) 1.8 0.0 4.2  ! vio,confirmed

assign (resid 548 and name HN) (resid 550 and name HN) 1.8 0.0 4.2


assign (resid 548 and name HA) (resid 551 and name HB1) 1.8 0.0 4.2
assign (resid 548 and name HA) (resid 551 and name HB2) 1.8 0.0 4.2

assign (resid 548 and name HA) (resid 550 and name HN) 1.8 0.0 4.2

assign (resid 548 and name HA) (resid 552 and name HN) 1.8 0.0 4.2

assign (resid 548 and name HA) (resid 562 and name HG2#) 1.8 0.0 4.2 ! vio

assign (resid 548 and name HA) (resid 562 and name HD1#) 1.8 0.0 4.2  ! check

!assign (resid 548 and name HN) (resid 544 and name HG) 1.8 0.0 4.2  



!!!assign (resid 548 and name HN) (resid 544 and name HD1#) 1.8 0.0 4.2  
!!!assign (resid 548 and name HN) (resid 544 and name HD2#) 1.8 0.0 4.2  

assign (resid 548 and name HD1) (resid 562 and name HG1#) 1.8 0.0 4.2  
assign (resid 548 and name HD2) (resid 562 and name HG1#) 1.8 0.0 4.2  


assign (resid 548 and name HD1) (resid 560 and name HN) 1.8 0.0 5.2  
assign (resid 548 and name HD2) (resid 560 and name HN) 1.8 0.0 4.5  


assign (resid 548 and name HD1) (resid 563 and name HD#) 1.8 0.0 1.7  
assign (resid 548 and name HD2) (resid 563 and name HD#) 1.8 0.0 1.7  

assign (resid 548 and name HD1) (resid 563 and name HB2) 1.8 0.0 3.2  
assign (resid 548 and name HD2) (resid 563 and name HB2) 1.8 0.0 3.2  
assign (resid 548 and name HD1) (resid 563 and name HB1) 1.8 0.0 4.2  
assign (resid 548 and name HD2) (resid 563 and name HB1) 1.8 0.0 4.2  

!L549

!intra

assign (resid 549 and name HN) (resid 549 and name HA) 1.8 0.0 1.7

assign (resid 549 and name HN) (resid 549 and name HB#) 1.8 0.0 1.1 

assign (resid 549 and name HN) (resid 549 and name HG) 1.8 0.0 1.1 

assign (resid 549 and name HN) (resid 549 and name HD#) 1.8 0.0 1.7 

assign (resid 549 and name HA) (resid 549 and name HD#) 1.8 0.0 1.7

assign (resid 549 and name HB#) (resid 549 and name HD#) 1.8 0.0 1.7



!inter



assign (resid 549 and name HN) (resid 548 and name HN) 1.8 0.0 1.1

assign (resid 549 and name HN) (resid 545 and name HA) 1.8 0.0 4.2
 
assign (resid 549 and name HN) (resid 546 and name HA) 1.8 0.0 4.2 

assign (resid 549 and name HN) (resid 547 and name HA) 1.8 0.0 4.2

assign (resid 549 and name HN) (resid 548 and name HA) 1.8 0.0 1.7
 
assign (resid 549 and name HN) (resid 548 and name HB#) 1.8 0.0 1.7 

assign (resid 549 and name HA) (resid 552 and name HB#) 1.8 0.0 4.2  

assign (resid 549 and name HB#) (resid 550 and name HN) 1.8 0.0 1.7


assign (resid 549 and name HD#) (resid 545 and name HD#) 1.8 0.0 4.2  ! added 201005

assign (resid 549 and name HB#) (resid 546 and name HA) 1.8 0.0 4.2 






!Q550

!intra


assign (resid 550 and name HN) (resid 550 and name HA) 1.8 0.0 1.1 

assign (resid 550 and name HN) (resid 550 and name HB#) 1.8 0.0 1.1 

assign (resid 550 and name HN) (resid 550 and name HG#) 1.8 0.0 4.2 

assign (resid 550 and name HA) (resid 550 and name HG#) 1.8 0.0 1.7



!inter

assign (resid 550 and name HN) (resid 546 and name HA) 1.8 0.0 4.2
 
assign (resid 550 and name HN) (resid 547 and name HA) 1.8 0.0 4.2

assign (resid 550 and name HN) (resid 551 and name HG#) 1.8 0.0 4.2

assign (resid 550 and name HN) (resid 549 and name HG) 1.8 0.0 4.2 

assign (resid 550 and name HN) (resid 549 and name HN) 1.8 0.0 1.1 

assign (resid 550 and name HN) (resid 549 and name HA) 1.8 0.0 1.7
 
assign (resid 550 and name HN) (resid 549 and name HD#) 1.8 0.0 4.2


assign (resid 550 and name HA) (resid 549 and name HD#) 1.8 0.0 4.2

! assign (resid 550 and name HA) (resid 551 and name HB#) 1.8 0.0 4.2  ! check

! assign (resid 550 and name HA) (resid 551 and name HG#) 1.8 0.0 4.2


assign (resid 550 and name HB#) (resid 551 and name HN) 1.8 0.0 1.7






!K551


!intra

assign (resid 551 and name HN) (resid 551 and name HE#) 1.8 0.0 4.2

assign (resid 551 and name HN) (resid 551 and name HA) 1.8 0.0 1.1 

assign (resid 551 and name HN) (resid 551 and name HB1) 1.8 0.0 1.7 
assign (resid 551 and name HN) (resid 551 and name HB2) 1.8 0.0 1.7 

assign (resid 551 and name HN) (resid 551 and name HG#) 1.8 0.0 3.2 

assign (resid 551 and name HB2) (resid 551 and name HE#) 1.8 0.0 3.2
assign (resid 551 and name HB1) (resid 551 and name HE#) 1.8 0.0 3.2

assign (resid 551 and name HA) (resid 551 and name HE#) 1.8 0.0 4.2

assign (resid 551 and name HA) (resid 551 and name HG#) 1.8 0.0 3.2


!inter

assign (resid 551 and name HN) (resid 548 and name HA) 1.8 0.0 4.2

assign (resid 551 and name HN) (resid 550 and name HG#) 1.8 0.0 4.2

assign (resid 551 and name HN) (resid 550 and name HA) 1.8 0.0 1.7 

assign (resid 551 and name HN) (resid 550 and name HN) 1.8 0.0 1.1 

assign (resid 551 and name HN) (resid 549 and name HA) 1.8 0.0 4.2 

assign (resid 551 and name HN) (resid 549 and name HN) 1.8 0.0 4.2 

assign (resid 551 and name HN) (resid 552 and name HB#) 1.8 0.0 4.2

assign (resid 551 and name HN) (resid 553 and name HN) 1.8 0.0 4.2

assign (resid 551 and name HN) (resid 562 and name HD1#) 1.8 0.0 4.2



assign (resid 551 and name HA) (resid 552 and name HN) 1.8 0.0 1.7

assign (resid 551 and name HA) (resid 553 and name HN) 1.8 0.0 4.2

assign (resid 551 and name HA) (resid 554 and name HB#) 1.8 0.0 4.2

assign (resid 551 and name HA) (resid 554 and name HN) 1.8 0.0 4.2

assign (resid 551 and name HA) (resid 555 and name HN) 1.8 0.0 4.2



assign (resid 551 and name HB1) (resid 552 and name HN) 1.8 0.0 4.2
assign (resid 551 and name HB2) (resid 552 and name HN) 1.8 0.0 4.2

assign (resid 551 and name HB1) (resid 548 and name HA) 1.8 0.0 4.2
assign (resid 551 and name HB2) (resid 548 and name HA) 1.8 0.0 4.2

! assign (resid 551 and name HB#) (resid 571 and name HD1#) 1.8 0.0 4.2 

assign (resid 551 and name HB#) (resid 553 and name HN) 1.8 0.0 4.2   






!A552

!intra

assign (resid 552 and name HN) (resid 552 and name HA) 1.8 0.0 1.7 

assign (resid 552 and name HN) (resid 552 and name HB#) 1.8 0.0 1.1 

!inter

assign (resid 552 and name HN) (resid 548 and name HA) 1.8 0.0 4.2

assign (resid 552 and name HN) (resid 549 and name HA) 1.8 0.0 1.7

assign (resid 552 and name HN) (resid 550 and name HN) 1.8 0.0 4.2

assign (resid 552 and name HN) (resid 550 and name HA) 1.8 0.0 4.2 

assign (resid 552 and name HN) (resid 551 and name HG1) 1.8 0.0 4.2 
assign (resid 552 and name HN) (resid 551 and name HG2) 1.8 0.0 4.2 

assign (resid 552 and name HN) (resid 551 and name HN) 1.8 0.0 1.1 

assign (resid 552 and name HN) (resid 551 and name HA) 1.8 0.0 1.7 

assign (resid 552 and name HN) (resid 551 and name HB#) 1.8 0.0 1.7 

assign (resid 552 and name HN) (resid 554 and name HN) 1.8 0.0 4.2 

assign (resid 552 and name HN) (resid 562 and name HD1#) 1.8 0.0 4.2 

assign (resid 552 and name HN) (resid 562 and name HG2#) 1.8 0.0 4.2





assign (resid 552 and name HA) (resid 554 and name HN) 1.8 0.0 4.2

assign (resid 552 and name HA) (resid 555 and name HB1) 1.8 0.0 4.2
assign (resid 552 and name HA) (resid 555 and name HB2) 1.8 0.0 4.2

assign (resid 552 and name HA) (resid 555 and name HN) 1.8 0.0 4.2

assign (resid 552 and name HA) (resid 562 and name HG2#) 1.8 0.0 4.2  ! check

assign (resid 552 and name HA) (resid 551 and name HB1) 1.8 0.0 4.2  
assign (resid 552 and name HA) (resid 551 and name HB2) 1.8 0.0 4.2  







!K553

!intra

assign (resid 553 and name HN) (resid 553 and name HA) 1.8 0.0 1.1 

assign (resid 553 and name HN) (resid 553 and name HB#) 1.8 0.0 1.1 

assign (resid 553 and name HN) (resid 553 and name HD#) 1.8 0.0 4.2 

assign (resid 553 and name HN) (resid 553 and name HG#) 1.8 0.0 4.2 

assign (resid 553 and name HA) (resid 553 and name HG#) 1.8 0.0 1.7


assign (resid 553 and name HB#) (resid 553 and name HE#) 1.8 0.0 4.2

assign (resid 553 and name HD#) (resid 553 and name HA) 1.8 0.0 4.2

assign (resid 553 and name HD#) (resid 553 and name HB#) 1.8 0.0 1.7

assign (resid 553 and name HG#) (resid 553 and name HE#) 1.8 0.0 1.7



!inter

assign (resid 553 and name HN) (resid 549 and name HA) 1.8 0.0 4.2 

assign (resid 553 and name HN) (resid 550 and name HA) 1.8 0.0 4.2 

assign (resid 553 and name HN) (resid 551 and name HA) 1.8 0.0 4.2 

assign (resid 553 and name HN) (resid 551 and name HG#) 1.8 0.0 4.2
  
assign (resid 553 and name HN) (resid 552 and name HA) 1.8 0.0 1.7

assign (resid 553 and name HN) (resid 552 and name HB#) 1.8 0.0 1.1 

assign (resid 553 and name HN) (resid 552 and name HN) 1.8 0.0 1.1 

assign (resid 553 and name HN) (resid 554 and name HB#) 1.8 0.0 4.2

assign (resid 553 and name HN) (resid 554 and name HN) 1.8 0.0 1.1 

assign (resid 553 and name HN) (resid 555 and name HN) 1.8 0.0 4.2 

! assign (resid 553 and name HN) (resid 562 and name HD1#) 1.8 0.0 4.2  ! check





assign (resid 553 and name HA) (resid 554 and name HN) 1.8 0.0 1.7

assign (resid 553 and name HA) (resid 555 and name HN) 1.8 0.0 4.2


assign (resid 553 and name HB#) (resid 554 and name HN) 1.8 0.0 1.7


assign (resid 553 and name HG#) (resid 554 and name HB#) 1.8 0.0 4.2











!E554

!intra


assign (resid 554 and name HN) (resid 554 and name HA) 1.8 0.0 1.1 

assign (resid 554 and name HN) (resid 554 and name HB#) 1.8 0.0 1.1 

assign (resid 554 and name HN) (resid 554 and name HG#) 1.8 0.0 4.2 

assign (resid 554 and name HA) (resid 554 and name HG#) 1.8 0.0 1.1





!inter

assign (resid 554 and name HN) (resid 550 and name HA) 1.8 0.0 4.2 

assign (resid 554 and name HN) (resid 551 and name HA) 1.8 0.0 1.7

assign (resid 554 and name HN) (resid 552 and name HA) 1.8 0.0 4.2

assign (resid 554 and name HN) (resid 553 and name HB#) 1.8 0.0 1.7 

assign (resid 554 and name HN) (resid 553 and name HN) 1.8 0.0 1.1 

assign (resid 554 and name HN) (resid 553 and name HA) 1.8 0.0 1.7 

assign (resid 554 and name HN) (resid 553 and name HD#) 1.8 0.0 4.2 

assign (resid 554 and name HN) (resid 553 and name HG#) 1.8 0.0 4.2 

assign (resid 554 and name HN) (resid 555 and name HG) 1.8 0.0 5.2 

assign (resid 554 and name HN) (resid 555 and name HN) 1.8 0.0 1.1 

assign (resid 554 and name HN) (resid 555 and name HB#) 1.8 0.0 4.2  ! check

assign (resid 554 and name HN) (resid 555 and name HD#) 1.8 0.0 4.2 


assign (resid 554 and name HA) (resid 556 and name HN) 1.8 0.0 4.2

assign (resid 554 and name HB#) (resid 555 and name HN) 1.8 0.0 1.1

assign (resid 554 and name HB#) (resid 596 and name HA) 1.8 0.0 5.2 




!L555

!intra


assign (resid 555 and name HN) (resid 555 and name HB#) 1.8 0.0 1.7
 
assign (resid 555 and name HN) (resid 555 and name HD#) 1.8 0.0 3.2 

assign (resid 555 and name HN) (resid 555 and name HG) 1.8 0.0 3.2 

assign (resid 555 and name HN) (resid 555 and name HA) 1.8 0.0 1.7

assign (resid 555 and name HA) (resid 555 and name HD#) 1.8 0.0 1.7

assign (resid 555 and name HA) (resid 555 and name HG) 1.8 0.0 1.7

assign (resid 555 and name HB#) (resid 555 and name HD#) 1.8 0.0 1.7



!inter

assign (resid 555 and name HN) (resid 551 and name HA) 1.8 0.0 4.2

assign (resid 555 and name HN) (resid 552 and name HA) 1.8 0.0 4.2

assign (resid 555 and name HN) (resid 553 and name HA) 1.8 0.0 4.2 

assign (resid 555 and name HN) (resid 554 and name HA) 1.8 0.0 1.7

assign (resid 555 and name HN) (resid 554 and name HB#) 1.8 0.0 1.1 

assign (resid 555 and name HN) (resid 554 and name HN) 1.8 0.0 1.1 

assign (resid 555 and name HN) (resid 556 and name HN) 1.8 0.0 1.7 


assign (resid 555 and name HN) (resid 562 and name HD1#) 1.8 0.0 4.2





!S556

!intra

assign (resid 556 and name HB#) (resid 556 and name HN) 1.8 0.0 1.7


!inter

assign (resid 556 and name HN) (resid 555 and name HG) 1.8 0.0 4.2

assign (resid 556 and name HN) (resid 557 and name HB#) 1.8 0.0 4.2

assign (resid 556 and name HN) (resid 557 and name HN) 1.8 0.0 3.2 

assign (resid 556 and name HN) (resid 553 and name HA) 1.8 0.0 4.2 

assign (resid 556 and name HN) (resid 554 and name HA) 1.8 0.0 4.2 

assign (resid 556 and name HN) (resid 552 and name HA) 1.8 0.0 4.2 

assign (resid 556 and name HN) (resid 555 and name HA) 1.8 0.0 1.7
 
assign (resid 556 and name HN) (resid 555 and name HB#) 1.8 0.0 1.7
 
assign (resid 556 and name HN) (resid 557 and name HG#) 1.8 0.0 4.2 






!L557

!intra

assign (resid 557 and name HN) (resid 557 and name HA) 1.8 0.0 1.7 

assign (resid 557 and name HN) (resid 557 and name HB1) 1.8 0.0 4.2
assign (resid 557 and name HN) (resid 557 and name HB2) 1.8 0.0 4.2 

assign (resid 557 and name HN) (resid 557 and name HG#) 1.8 0.0 4.2 

assign (resid 557 and name HD#) (resid 557 and name HN) 1.8 0.0 4.2

assign (resid 557 and name HD#) (resid 557 and name HA) 1.8 0.0 1.7

assign (resid 557 and name HD#) (resid 557 and name HB1) 1.8 0.0 1.7
assign (resid 557 and name HD#) (resid 557 and name HB2) 1.8 0.0 1.7



!inter

assign (resid 557 and name HN) (resid 553 and name HA) 1.8 0.0 4.2 

! assign (resid 557 and name HN) (resid 554 and name HA) 1.8 0.0 4.2   ! check

assign (resid 557 and name HN) (resid 556 and name HB#) 1.8 0.0 4.2 

assign (resid 557 and name HN) (resid 558 and name HD#) 1.8 0.0 4.2

assign (resid 557 and name HN) (resid 558 and name HA) 1.8 0.0 4.2 

assign (resid 557 and name HN) (resid 562 and name HD1#) 1.8 0.0 4.2  ! check



assign (resid 557 and name HB#) (resid 558 and name HA) 1.8 0.0 4.2

assign (resid 557 and name HB1) (resid 558 and name HD#) 1.8 0.0 4.2
assign (resid 557 and name HB2) (resid 558 and name HD#) 1.8 0.0 4.2






!P558

!intra
assign (resid 558 and name HB1) (resid 558 and name HA) 1.8 0.0 1.1  
assign (resid 558 and name HA) (resid 558 and name HG#) 1.8 0.0 1.7  
assign (resid 558 and name HB2) (resid 558 and name HA) 1.8 0.0 1.1  

assign (resid 558 and name HB1) (resid 558 and name HD1) 1.8 0.0 3.2  
assign (resid 558 and name HB2) (resid 558 and name HD1) 1.8 0.0 3.2  
assign (resid 558 and name HB1) (resid 558 and name HD2) 1.8 0.0 3.2  
assign (resid 558 and name HB2) (resid 558 and name HD2) 1.8 0.0 3.2  

assign (resid 558 and name HB2) (resid 558 and name HG1) 1.8 0.0 1.7  
assign (resid 558 and name HB2) (resid 558 and name HG1) 1.8 0.0 1.7  
assign (resid 558 and name HB1) (resid 558 and name HG2) 1.8 0.0 1.7  
assign (resid 558 and name HB1) (resid 558 and name HG2) 1.8 0.0 1.7  



!inter

assign (resid 558 and name HB#) (resid 562 and name HN) 1.8 0.0 3.2  

assign (resid 558 and name HB1) (resid 560 and name HE#) 1.8 0.0 1.7  
assign (resid 558 and name HB2) (resid 560 and name HE#) 1.8 0.0 1.7  

assign (resid 558 and name HD1) (resid 557 and name HD#) 1.8 0.0 3.2  
assign (resid 558 and name HD2) (resid 557 and name HD#) 1.8 0.0 3.2  

assign (resid 558 and name HD1) (resid 557 and name HB#) 1.8 0.0 1.7  
assign (resid 558 and name HD2) (resid 557 and name HB#) 1.8 0.0 1.7  

! assign (resid 558 and name HD1) (resid 560 and name HB#) 1.8 0.0 4.2  



!P559

!intra
assign (resid 559 and name HA) (resid 559 and name HB#) 1.8 0.0 4.2  
assign (resid 559 and name HA) (resid 559 and name HG#) 1.8 0.0 4.2  


!inter
assign (resid 559 and name HA) (resid 562 and name HD1#) 1.8 0.0 4.2  

assign (resid 559 and name HA) (resid 562 and name HG1#) 1.8 0.0 4.2  

assign (resid 559 and name HA) (resid 552 and name HB#) 1.8 0.0 4.2   

assign (resid 559 and name HA) (resid 561 and name HN) 1.8 0.0 2.2    







!Y560

!intra

assign (resid 560 and name HN) (resid 560 and name HA) 1.8 0.0 1.1 

assign (resid 560 and name HN) (resid 560 and name HB#) 1.8 0.0 1.1 

assign (resid 560 and name HN) (resid 560 and name HD#) 1.8 0.0 1.1 

assign (resid 560 and name HN) (resid 560 and name HE#) 1.8 0.0 4.2 

assign (resid 560 and name HB#) (resid 560 and name HD#) 1.8 0.0 1.7

assign (residue 560 and name HD#) (residue 560 and name HA) 1.8 0.0 4.2


!inter

assign (resid 560 and name HN) (resid 561 and name HG#) 1.8 0.0 4.2

assign (resid 560 and name HN) (resid 561 and name HN) 1.8 0.0 1.1 

assign (resid 560 and name HN) (resid 559 and name HB#) 1.8 0.0 1.1 

assign (resid 560 and name HN) (resid 559 and name HA) 1.8 0.0 1.7 

assign (resid 560 and name HN) (resid 559 and name HD#) 1.8 0.0 1.7 

assign (resid 560 and name HN) (resid 559 and name HG#) 1.8 0.0 4.2 






!T561

!intra

assign (resid 561 and name HN) (resid 561 and name HA) 1.8 0.0 1.1 

assign (resid 561 and name HN) (resid 561 and name HB) 1.8 0.0 1.1
 
assign (resid 561 and name HN) (resid 561 and name HG2#) 1.8 0.0 4.2 

assign (resid 561 and name HA) (resid 561 and name HG2#) 1.8 0.0 1.7

!inter

assign (resid 561 and name HN) (resid 559 and name HB#) 1.8 0.0 4.2

assign (resid 561 and name HN) (resid 559 and name HG#) 1.8 0.0 4.2

! assign (resid 561 and name HN) (resid 559 and name HA) 1.8 0.0 3.2  ! repeated

assign (resid 561 and name HN) (resid 559 and name HD#) 1.8 0.0 4.2

assign (resid 561 and name HN) (resid 560 and name HA) 1.8 0.0 1.7 

assign (resid 561 and name HN) (resid 560 and name HB#) 1.8 0.0 4.2 

assign (resid 561 and name HN) (resid 560 and name HD#) 1.8 0.0 4.2

assign (resid 561 and name HN) (resid 562 and name HG1#) 1.8 0.0 4.2

assign (resid 561 and name HN) (resid 562 and name HN) 1.8 0.0 1.1

assign (resid 561 and name HN) (resid 563 and name HB#) 1.8 0.0 4.2

 
assign (resid 561 and name HA) (resid 560 and name HD#) 1.8 0.0 3.2

 
assign (resid 561 and name HB) (resid 562 and name HA) 1.8 0.0 4.2

assign (resid 561 and name HB) (resid 562 and name HN) 1.8 0.0 1.1

assign (resid 561 and name HB) (resid 558 and name HD#) 1.8 0.0 4.2

assign (resid 561 and name HG2#) (resid 558 and name HD#) 1.8 0.0 4.2

assign (resid 561 and name HG#) (resid 560 and name HD#) 1.8 0.0 1.1







!I562

!intra

assign (resid 562 and name HN) (resid 562 and name HB) 1.8 0.0 4.2 

assign (resid 562 and name HN) (resid 562 and name HG12) 1.8 0.0 4.2 
assign (resid 562 and name HN) (resid 562 and name HG11) 1.8 0.0 4.2

assign (resid 562 and name HN) (resid 562 and name HA) 1.8 0.0 1.7
 
assign (resid 562 and name HN) (resid 562 and name HD1#) 1.8 0.0 4.2 
 
assign (resid 562 and name HN) (resid 562 and name HG2#) 1.8 0.0 1.7 



assign (resid 562 and name HA) (resid 562 and name HD1#) 1.8 0.0 4.2

assign (resid 562 and name HA) (resid 562 and name HG11) 1.8 0.0 4.2
assign (resid 562 and name HA) (resid 562 and name HG12) 1.8 0.0 4.2

assign (resid 562 and name HA) (resid 562 and name HG2#) 1.8 0.0 1.7

assign (resid 562 and name HD1#) (resid 562 and name HB) 1.8 0.0 1.1

assign (resid 562 and name HD1#) (resid 562 and name HG2#) 1.8 0.0 1.7

assign (resid 562 and name HG2#) (resid 562 and name HG11) 1.8 0.0 1.1
assign (resid 562 and name HG2#) (resid 562 and name HG12) 1.8 0.0 1.1


!inter

! assign (resid 562 and name HN) (resid 552 and name HB#) 1.8 0.0 4.2  ! check
 
assign (resid 562 and name HN) (resid 559 and name HA) 1.8 0.0 1.7 

assign (resid 562 and name HN) (resid 560 and name HA) 1.8 0.0 2.2

assign (resid 562 and name HN) (resid 560 and name HB#) 1.8 0.0 4.2

assign (resid 562 and name HN) (resid 560 and name HN) 1.8 0.0 4.2

assign (resid 562 and name HN) (resid 561 and name HA) 1.8 0.0 1.7
 
assign (resid 562 and name HN) (resid 561 and name HB) 1.8 0.0 1.7

! assign (resid 562 and name HN) (resid 563 and name HE#) 1.8 0.0 4.2 

assign (resid 562 and name HN) (resid 563 and name HN) 1.8 0.0 1.1 

assign (resid 562 and name HA) (resid 563 and name HD#) 1.8 0.0 4.2

assign (resid 562 and name HA) (resid 563 and name HE#) 1.8 0.0 4.2



assign (resid 562 and name HB) (resid 563 and name HD#) 1.8 0.0 4.2

assign (resid 562 and name HB) (resid 563 and name HE#) 1.8 0.0 4.2

assign (resid 562 and name HB) (resid 563 and name HN) 1.8 0.0 4.2

! assign (resid 562 and name HB) (resid 557 and name HG) 1.8 0.0 5.2  



assign (resid 562 and name HG2#) (resid 563 and name HE#) 1.8 0.0 4.2

assign (resid 562 and name HG2#) (resid 563 and name HN) 1.8 0.0 4.2


assign (resid 562 and name HD1#) (resid 551 and name HN) 1.8 0.0 4.2

assign (resid 562 and name HD1#) (resid 563 and name HD#) 1.8 0.0 4.2

assign (resid 562 and name HD1#) (resid 563 and name HE#) 1.8 0.0 4.2

assign (resid 562 and name HD1#) (resid 552 and name HB#) 1.8 0.0 1.7 

assign (resid 562 and name HD1#) (resid 557 and name HG) 1.8 0.0 4.2

assign (resid 562 and name HD1#) (resid 557 and name HB#) 1.8 0.0 4.2 

assign (resid 562 and name HD1#) (resid 551 and name HB#) 1.8 0.0 1.7 

assign (resid 562 and name HD1#) (resid 548 and name HD#) 1.8 0.0 1.7 

assign (resid 562 and name HD1#) (resid 548 and name HA) 1.8 0.0 1.7 

assign (resid 562 and name HD1#) (resid 551 and name HE#) 1.8 0.0 3.2 

assign (resid 562 and name HD1#) (resid 548 and name HB#) 1.8 0.0 3.2

assign (resid 562 and name HG1#) (resid 555 and name HB#) 1.8 0.0 1.7 

! assign (resid 562 and name HG1#) (resid 550 and name HA) 1.8 0.0 4.2 

assign (resid 562 and name HG2#) (resid 563 and name HZ#) 1.8 0.0 3.2  !Check!

assign (resid 562 and name HG2#) (resid 548 and name HG#) 1.8 0.0 3.2 

assign (resid 562 and name HG2#) (resid 551 and name HD#) 1.8 0.0 1.7 

assign (resid 562 and name HG2#) (resid 588 and (name HG1# or name HG2#)) 1.8 0.0 3.2 




 
!F563

!intra

assign (resid 563 and name HN) (resid 563 and name HA) 1.8 0.0 1.7 

assign (resid 563 and name HN) (resid 563 and name HB1) 1.8 0.0 3.2 
assign (resid 563 and name HN) (resid 563 and name HB2) 1.8 0.0 3.2
 
assign (resid 563 and name HA) (resid 563 and name HB#) 1.8 0.0 1.7

assign (residue 563 and name HD#) (residue 563 and name HA) 1.8 0.0 3.2

assign (residue 563 and name HD#) (residue 563 and name HB1) 1.8 0.0 3.2
assign (residue 563 and name HD#) (residue 563 and name HB2) 1.8 0.0 3.2

assign (residue 563 and name HD#) (residue 563 and name HN) 1.8 0.0 4.2



!inter

! assign (resid 563 and name HN) (resid 552 and name HB#) 1.8 0.0 4.2  ! check

assign (resid 563 and name HN) (resid 559 and name HA) 1.8 0.0 4.2

assign (resid 563 and name HN) (resid 560 and name HA) 1.8 0.0 4.2 

assign (resid 563 and name HN) (resid 560 and name HB#) 1.8 0.0 4.2 

assign (resid 563 and name HN) (resid 561 and name HA) 1.8 0.0 4.2 

assign (resid 563 and name HN) (resid 561 and name HN) 1.8 0.0 4.2

assign (resid 563 and name HN) (resid 562 and name HA) 1.8 0.0 1.7 

assign (resid 563 and name HN) (resid 562 and name HB) 1.8 0.0 4.2 

assign (resid 563 and name HN) (resid 562 and name HG11) 1.8 0.0 4.2
assign (resid 563 and name HN) (resid 562 and name HG12) 1.8 0.0 4.2

assign (resid 563 and name HN) (resid 562 and name HD1#) 1.8 0.0 4.2

assign (resid 563 and name HN) (resid 564 and name HN) 1.8 0.0 4.2



assign (resid 563 and name HA) (resid 562 and name HN) 1.8 0.0 4.2

assign (resid 563 and name HA) (resid 564 and name HN) 1.8 0.0 1.7


assign (resid 563 and name HB#) (resid 562 and name HG1#) 1.8 0.0 4.2

assign (resid 563 and name HB#) (resid 562 and name HN) 1.8 0.0 4.2


assign (resid 563 and name HB1) (resid 567 and name HB) 1.8 0.0 4.2
assign (resid 563 and name HB2) (resid 567 and name HB) 1.8 0.0 4.2



assign (residue 563 and name HD#) (residue 562 and name HG1#) 1.8 0.0 4.2

assign (residue 563 and name HD#) (residue 562 and name HG2#) 1.8 0.0 4.2

assign (residue 563 and name HD#) (residue 564 and name HN) 1.8 0.0 4.2

assign (residue 563 and name HD#) (residue 567 and name HG#) 1.8 0.0 4.2

assign (residue 563 and name HZ) (residue 547 and name HB#) 1.8 0.0 4.2

assign (residue 563 and name HZ) (residue 551 and name HG#) 1.8 0.0 4.2

assign (residue 563 and name HZ) (residue 588 and (name HG2# or name HG1#)) 1.8 0.0 4.2

assign (residue 563 and name HZ) (residue 596 and name HB#) 1.8 0.0 4.2









!H564

!intra


assign (resid 564 and name HN) (resid 564 and name HB1) 1.8 0.0 1.7 
assign (resid 564 and name HN) (resid 564 and name HB2) 1.8 0.0 4.2 

assign (resid 564 and name HN) (resid 564 and name HA) 1.8 0.0 1.7 

assign (residue 564 and name HD2) (residue 564 and name HB1) 1.8 0.0 4.2
assign (residue 564 and name HD2) (residue 564 and name HB2) 1.8 0.0 4.2


!inter

! assign (resid 564 and name HN) (resid 562 and name HN) 1.8 0.0 4.2 

! assign (resid 564 and name HN) (resid 562 and name HA) 1.8 0.0 4.2   ! check

assign (resid 564 and name HN) (resid 563 and name HN) 1.8 0.0 4.2

assign (resid 564 and name HN) (resid 563 and name HA) 1.8 0.0 1.7 

assign (resid 564 and name HN) (resid 563 and name HB#) 1.8 0.0 3.2 

assign (resid 564 and name HN) (resid 563 and name HE#) 1.8 0.0 4.2   ! check

!assign (resid 564 and name HN) (resid 557 and name HD#) 1.8 0.0 4.2  ! check

assign (resid 564 and name HN) (resid 567 and name HG2#) 1.8 0.0 4.2

assign (resid 564 and name HN) (resid 567 and name HB) 1.8 0.0 1.7 


! assign (resid 564 and name HB#) (resid 563 and name HE#) 1.8 0.0 4.2  ! check

! assign (residue 564 and name HD2) (residue 550 and name HA) 1.8 0.0 4.2  ! check_liu








!D565

!intra

assign (resid 565 and name HN) (resid 565 and name HB#) 1.8 0.0 1.7

assign (resid 565 and name HN) (resid 565 and name HA) 1.8 0.0 4.2
 
!inter

!assign (resid 565 and name HN) (resid 562 and name HA) 1.8 0.0 4.2 ! vio

assign (resid 565 and name HN) (resid 564 and name HB1) 1.8 0.0 4.2
assign (resid 565 and name HN) (resid 564 and name HB2) 1.8 0.0 4.2

assign (resid 565 and name HN) (resid 566 and name HN) 1.8 0.0 4.2

assign (resid 565 and name HN) (resid 564 and name HA) 1.8 0.0 1.7 


assign (resid 565 and name HA) (resid 567 and name HN) 1.8 0.0 4.2

assign (resid 565 and name HA) (resid 568 and name HB1) 1.8 0.0 4.2
assign (resid 565 and name HA) (resid 568 and name HB2) 1.8 0.0 4.2

assign (resid 565 and name HA) (resid 564 and name HD2) 1.8 0.0 4.2

assign (resid 565 and name HA) (resid 564 and name HE1) 1.8 0.0 4.2


assign (resid 565 and name HB#) (resid 564 and name HD2) 1.8 0.0 4.2

assign (resid 565 and name HB#) (resid 564 and name HE1) 1.8 0.0 1.7







!A566

!intra

assign (resid 566 and name HN) (resid 566 and name HA) 1.8 0.0 1.1 

assign (resid 566 and name HN) (resid 566 and name HB#) 1.8 0.0 1.1 


!inter

assign (resid 566 and name HN) (resid 564 and name HA) 1.8 0.0 4.2

assign (resid 566 and name HN) (resid 565 and name HA) 1.8 0.0 4.2

assign (resid 566 and name HN) (resid 568 and name HN) 1.8 0.0 4.2

assign (resid 566 and name HN) (resid 565 and name HB#) 1.8 0.0 1.1 

! assign (resid 566 and name HN) (resid 562 and name HA) 1.8 0.0 1.7   ! vio

assign (resid 566 and name HN) (resid 564 and name HB1) 1.8 0.0 4.2 
assign (resid 566 and name HN) (resid 564 and name HB2) 1.8 0.0 4.2 

assign (resid 566 and name HN) (resid 567 and name HN) 1.8 0.0 1.7 



assign (resid 566 and name HA) (resid 569 and name HB1) 1.8 0.0 3.2  ! vio
assign (resid 566 and name HA) (resid 569 and name HB2) 1.8 0.0 3.2

assign (resid 566 and name HA) (resid 567 and name HN) 1.8 0.0 1.7

assign (resid 566 and name HA) (resid 568 and name HN) 1.8 0.0 4.2

assign (resid 566 and name HA) (resid 569 and name HN) 1.8 0.0 4.2







!T567

!intra


assign (resid 567 and name HN) (resid 567 and name HA) 1.8 0.0 1.1 

assign (resid 567 and name HN) (resid 567 and name HB) 1.8 0.0 1.1 

assign (resid 567 and name HN) (resid 567 and name HG2#) 1.8 0.0 1.7

assign (resid 567 and name HA) (resid 567 and name HG2#) 1.8 0.0 1.1

!inter

! assign (resid 567 and name HN) (resid 565 and name HB#) 1.8 0.0 4.2 ! vio

assign (resid 567 and name HN) (resid 568 and name HB#) 1.8 0.0 4.2

assign (resid 567 and name HN) (resid 568 and name HD#) 1.8 0.0 4.2

! assign (resid 567 and name HN) (resid 568 and name HG) 1.8 0.0 4.5

assign (resid 567 and name HN) (resid 569 and name HN) 1.8 0.0 4.2

assign (resid 567 and name HN) (resid 568 and name HN) 1.8 0.0 1.7 

assign (resid 567 and name HN) (resid 565 and name HA) 1.8 0.0 4.2

assign (resid 567 and name HN) (resid 566 and name HB#) 1.8 0.0 1.1 

assign (resid 567 and name HN) (resid 564 and name HB1) 1.8 0.0 4.2 
assign (resid 567 and name HN) (resid 564 and name HB2) 1.8 0.0 4.2 

assign (resid 567 and name HN) (resid 566 and name HA) 1.8 0.0 1.7 

assign (resid 567 and name HN) (resid 566 and name HN) 1.8 0.0 1.7 


! assign (resid 567 and name HA) (resid 557 and name HA) 1.8 0.0 1.1   ! vio

assign (resid 567 and name HA) (resid 568 and name HN) 1.8 0.0 1.7

assign (resid 567 and name HA) (resid 570 and name HB) 1.8 0.0 1.7

assign (resid 567 and name HA) (resid 563 and name HB#) 1.8 0.0 4.2


assign (resid 567 and name HB) (resid 563 and name HB#) 1.8 0.0 1.7

assign (resid 567 and name HB) (resid 568 and name HB#) 1.8 0.0 4.2

assign (resid 567 and name HB) (resid 568 and name HN) 1.8 0.0 1.1

! assign (resid 567 and name HB) (resid 570 and name HA) 1.8 0.0 1.1  
! vio, assigned as w/567HA

assign (resid 567 and name HB) (resid 566 and name HB#) 1.8 0.0 4.2

! assign (resid 567 and name HB) (resid 566 and name HN) 1.8 0.0 4.2      ! wrong

assign (resid 567 and name HB) (resid 568 and name HD#) 1.8 0.0 4.2

assign (resid 567 and name HB) (resid 568 and name HG) 1.8 0.0 5.2

assign (resid 567 and name HB) (resid 568 and name HN) 1.8 0.0 1.7







!L568

!intra

assign (resid 568 and name HN) (resid 568 and name HB1) 1.8 0.0 1.7 
assign (resid 568 and name HN) (resid 568 and name HB2) 1.8 0.0 1.7 

assign (resid 568 and name HN) (resid 568 and name HD#) 1.8 0.0 1.7 

assign (resid 568 and name HN) (resid 568 and name HG) 1.8 0.0 3.2 

assign (resid 568 and name HN) (resid 568 and name HA) 1.8 0.0 1.7

assign (resid 568 and name HB1) (resid 568 and name HD#) 1.8 0.0 1.7
assign (resid 568 and name HB2) (resid 568 and name HD#) 1.8 0.0 1.7

assign (resid 568 and name HD#) (resid 568 and name HA) 1.8 0.0 1.7

!inter

assign (resid 568 and name HN) (resid 541 and name HE#) 1.8 0.0 5.2 

!assign (resid 568 and name HN) (resid 541 and name HD#) 1.8 0.0 4.2 



assign (resid 568 and name HN) (resid 566 and name HN) 1.8 0.0 4.2

assign (resid 568 and name HN) (resid 569 and name HN) 1.8 0.0 1.1 

assign (resid 568 and name HN) (resid 565 and name HA) 1.8 0.0 4.2 

assign (resid 568 and name HN) (resid 567 and name HB) 1.8 0.0 1.1
 
assign (resid 568 and name HN) (resid 567 and name HN) 1.8 0.0 1.1 

assign (resid 568 and name HN) (resid 566 and name HA) 1.8 0.0 4.2 

assign (resid 568 and name HN) (resid 567 and name HA) 1.8 0.0 1.7
 
assign (resid 568 and name HN) (resid 567 and name HG2#) 1.8 0.0 1.7
 
assign (resid 568 and name HN) (resid 568 and name HA) 1.8 0.0 1.7
 
assign (resid 568 and name HN) (resid 570 and name HN) 1.8 0.0 4.2

assign (resid 568 and name HN) (resid 563 and name HB1) 1.8 0.0 3.2 
assign (resid 568 and name HN) (resid 563 and name HB2) 1.8 0.0 3.2 


assign (resid 568 and name HA) (resid 569 and name HN) 1.8 0.0 1.7

assign (resid 568 and name HA) (resid 570 and name HN) 1.8 0.0 4.2

assign (resid 568 and name HA) (resid 571 and name HB) 1.8 0.0 4.2

assign (resid 568 and name HA) (resid 571 and name HD1#) 1.8 0.0 1.1


assign (resid 568 and name HD#) (resid 567 and name HN) 1.8 0.0 4.2

assign (resid 568 and name HD#) (resid 569 and name HA) 1.8 0.0 1.1

assign (resid 568 and name HD#) (resid 565 and name HA) 1.8 0.0 3.2


assign (resid 568 and name HB1) (resid 563 and name HD#) 1.8 0.0 4.2 
assign (resid 568 and name HB2) (resid 563 and name HD#) 1.8 0.0 3.2 








!K569

!intra

assign (resid 569 and name HN) (resid 569 and name HA) 1.8 0.0 1.1 

assign (resid 569 and name HN) (resid 569 and name HB1) 1.8 0.0 1.7 
assign (resid 569 and name HN) (resid 569 and name HB2) 1.8 0.0 1.7 

assign (resid 569 and name HN) (resid 569 and name HD#) 1.8 0.0 4.2 

assign (resid 569 and name HN) (resid 569 and name HG#) 1.8 0.0 4.2

assign (resid 569 and name HA) (resid 569 and name HD#) 1.8 0.0 4.2

assign (resid 569 and name HA) (resid 569 and name HG#) 1.8 0.0 1.7

assign (resid 569 and name HA) (resid 569 and name HE#) 1.8 0.0 4.2

assign (resid 569 and name HB#) (resid 569 and name HD#) 1.8 0.0 1.7

!inter

assign (resid 569 and name HN) (resid 568 and name HN) 1.8 0.0 1.1

assign (resid 569 and name HN) (resid 565 and name HA) 1.8 0.0 4.2
 
assign (resid 569 and name HN) (resid 566 and name HA) 1.8 0.0 4.2 

assign (resid 569 and name HN) (resid 567 and name HA) 1.8 0.0 4.2
 
assign (resid 569 and name HN) (resid 568 and name HA) 1.8 0.0 1.7 

assign (resid 569 and name HN) (resid 568 and name HB1) 1.8 0.0 4.2 
assign (resid 569 and name HN) (resid 568 and name HB2) 1.8 0.0 4.2
 
assign (resid 569 and name HN) (resid 568 and name HD#) 1.8 0.0 4.2 

assign (resid 569 and name HN) (resid 570 and name HN) 1.8 0.0 1.7 

assign (resid 569 and name HN) (resid 571 and name HN) 1.8 0.0 4.2 


assign (resid 569 and name HA) (resid 571 and name HN) 1.8 0.0 4.2

assign (resid 569 and name HA) (resid 572 and name HN) 1.8 0.0 4.2

assign (resid 569 and name HA) (resid 572 and name HB#) 1.8 0.0 4.2

assign (resid 569 and name HA) (resid 541 and name HD#) 1.8 0.0 4.2  
! check,confirmed






!T570

!intra

assign (resid 570 and name HN) (resid 570 and name HA) 1.8 0.0 1.1 

assign (resid 570 and name HN) (resid 570 and name HB) 1.8 0.0 1.1 

assign (resid 570 and name HN) (resid 570 and name HG2#) 1.8 0.0 1.7

assign (resid 570 and name HA) (resid 570 and name HG2#) 1.8 0.0 1.1

!inter

assign (resid 570 and name HN) (resid 568 and name HA) 1.8 0.0 4.2

assign (resid 570 and name HN) (resid 566 and name HA) 1.8 0.0 4.2 

assign (resid 570 and name HN) (resid 567 and name HA) 1.8 0.0 4.2 

assign (resid 570 and name HN) (resid 569 and name HB1) 1.8 0.0 4.2 
assign (resid 570 and name HN) (resid 569 and name HB2) 1.8 0.0 4.2 

assign (resid 570 and name HN) (resid 569 and name HD#) 1.8 0.0 3.2 

assign (resid 570 and name HN) (resid 569 and name HA) 1.8 0.0 1.7 



assign (resid 570 and name HN) (resid 569 and name HG#)  1.8 0.0 4.2 

assign (resid 570 and name HN) (resid 569 and name HN) 1.8 0.0 1.7 

assign (resid 570 and name HN) (resid 571 and name HN) 1.8 0.0 1.7
 
assign (resid 570 and name HN) (resid 572 and name HN) 1.8 0.0 4.2 


assign (resid 570 and name HA) (resid 573 and name HB1) 1.8 0.0 4.2
assign (resid 570 and name HA) (resid 573 and name HB2) 1.8 0.0 4.2

assign (resid 570 and name HA) (resid 573 and name HN) 1.8 0.0 4.2

assign (resid 570 and name HA) (resid 569 and name HA) 1.8 0.0 4.2

assign (resid 570 and name HA) (resid 569 and name HG#)  1.8 0.0 4.2

assign (resid 570 and name HA) (resid 571 and name HN) 1.8 0.0 1.7

assign (resid 570 and name HA) (resid 572 and name HN) 1.8 0.0 4.2

assign (resid 570 and name HA) (resid 573 and name HG#) 1.8 0.0 4.2 



assign (resid 570 and name HB) (resid 569 and name HG#)  1.8 0.0 4.2

assign (resid 570 and name HB) (resid 571 and name HN) 1.8 0.0 1.1



assign (resid 570 and name HG2#)  (resid 571 and name HN) 1.8 0.0 1.7






!I571


!intra

assign (resid 571 and name HN) (resid 571 and name HB) 1.8 0.0 1.7 

assign (resid 571 and name HN) (resid 571 and name HG1#) 1.8 0.0 1.7 

assign (resid 571 and name HA) (resid 571 and name HD1#) 1.8 0.0 4.2

assign (resid 571 and name HA) (resid 571 and name HG11) 1.8 0.0 1.7
assign (resid 571 and name HA) (resid 571 and name HG12) 1.8 0.0 4.2

assign (resid 571 and name HA) (resid 571 and name HG2#) 1.8 0.0 1.1

assign (resid 571 and name HB) (resid 571 and name HD1#) 1.8 0.0 4.2

assign (resid 571 and name HD1#) (resid 571 and name HG2#) 1.8 0.0 1.7

assign (resid 571 and name HD1#) (resid 571 and name HN) 1.8 0.0 1.7

assign (resid 571 and name HG2#)  (resid 571 and name HG11) 1.8 0.0 1.7
assign (resid 571 and name HG2#)  (resid 571 and name HG12) 1.8 0.0 1.7

assign (resid 571 and name HN) (resid 571 and name HA) 1.8 0.0 1.7
 
assign (resid 571 and name HN) (resid 571 and name HG2#) 1.8 0.0 1.7 



!inter

assign (resid 571 and name HN) (resid 569 and name HA) 1.8 0.0 4.2

assign (resid 571 and name HN) (resid 570 and name HG2#)  1.8 0.0 4.2

assign (resid 571 and name HN) (resid 572 and name HN) 1.8 0.0 1.1

assign (resid 571 and name HN) (resid 567 and name HA) 1.8 0.0 4.2 

assign (resid 571 and name HN) (resid 568 and name HA) 1.8 0.0 4.2 

assign (resid 571 and name HN) (resid 570 and name HA) 1.8 0.0 1.7 

assign (resid 571 and name HN) (resid 570 and name HB) 1.8 0.0 1.7 

assign (resid 571 and name HN) (resid 570 and name HN) 1.8 0.0 1.7 

assign (resid 571 and name HN) (resid 573 and name HN) 1.8 0.0 4.2 




assign (resid 571 and name HA) (resid 572 and name HB#) 1.8 0.0 4.2

assign (resid 571 and name HA) (resid 572 and name HN) 1.8 0.0 1.7

assign (resid 571 and name HA) (resid 570 and name HG2#)  1.8 0.0 1.7

assign (resid 571 and name HA) (resid 570 and name HB) 1.8 0.0 4.2   ! check

assign (resid 571 and name HA) (resid 573 and name HN) 1.8 0.0 4.2


assign (resid 571 and name HB) (resid 572 and name HN) 1.8 0.0 3.2

assign (resid 571 and name HB) (resid 544 and name HD#) 1.8 0.0 3.2 

! assign (resid 571 and name HB) (resid 539 and name HD1) 1.8 0.0 4.2 

assign (resid 571 and name HG2#)  (resid 570 and name HA) 1.8 0.0 4.2

assign (resid 571 and name HG2#)  (resid 570 and name HG2#)  1.8 0.0 4.2

assign (resid 571 and name HG1#) (resid 569 and name HG#)  1.8 0.0 4.5

assign (resid 571 and name HG1#) (resid 544 and name HB#)  1.8 0.0 4.2 


! assign (resid 571 and name HG2#) (resid 564 and name HB#) 1.8 0.0 4.2 

assign (resid 571 and name HG2#) (resid 569 and name HA) 1.8 0.0 4.2


assign (resid 571 and name HG1#) (resid 582 and name HD1#) 1.8 0.0 3.2

! assign (resid 571 and name HD1#) (resid 584 and name HN) 1.8 0.0 4.2



!A572

!intra

assign (resid 572 and name HN) (resid 572 and name HA) 1.8 0.0 1.1 

assign (resid 572 and name HN) (resid 572 and name HB#) 1.8 0.0 1.1 


!inter

assign (resid 572 and name HN) (resid 571 and name HD1#) 1.8 0.0 4.2

assign (resid 572 and name HN) (resid 571 and name HG1#) 1.8 0.0 4.2

assign (resid 572 and name HN) (resid 573 and name HN) 1.8 0.0 1.1 

assign (resid 572 and name HN) (resid 570 and name HN) 1.8 0.0 4.2 

assign (resid 572 and name HN) (resid 569 and name HA) 1.8 0.0 1.7 

assign (resid 572 and name HN) (resid 571 and name HG2#)  1.8 0.0 4.2
 
assign (resid 572 and name HN) (resid 574 and (name HD1# or name HD2#)) 1.8 0.0 4.2



assign (resid 572 and name HA) (resid 540 and name HG) 1.8 0.0 4.2

assign (resid 572 and name HA) (resid 544 and name HD1#) 1.8 0.0 4.2  

assign (resid 572 and name HA) (resid 544 and name HG#) 1.8 0.0 4.2  

assign (resid 572 and name HA) (resid 573 and name HN) 1.8 0.0 1.7

! assign (resid 572 and name HA) (resid 570 and name HA) 1.8 0.0 4.2  

assign (resid 572 and name HA) (resid 569 and name HA) 1.8 0.0 4.2  


assign (resid 572 and name HB#) (resid 573 and name HN) 1.8 0.0 1.1

assign (resid 572 and name HB#) (resid 574 and (name HD1# or name HD2#)) 1.8 0.0 4.2

assign (resid 572 and name HB#) (resid 536 and name HB#) 1.8 0.0 4.2

assign (resid 572 and name HB#) (resid 541 and name HB#) 1.8 0.0 4.2  


assign (resid 572 and name HB#) (resid 569 and name HA) 1.8 0.0 1.7 

! assign (resid 572 and name HB#) (resid 596 and name HD#) 1.8 0.0 4.2 





!E573

!intra

assign (resid 573 and name HA) (resid 573 and name HN) 1.8 0.0 1.1

assign (resid 573 and name HG1) (resid 573 and name HA) 1.8 0.0 1.7
assign (resid 573 and name HG2) (resid 573 and name HA) 1.8 0.0 1.7

assign (resid 573 and name HG2) (resid 573 and name HN) 1.8 0.0 4.2
assign (resid 573 and name HG1) (resid 573 and name HN) 1.8 0.0 4.2

assign (resid 573 and name HN) (resid 573 and name HB1) 1.8 0.0 1.7 
assign (resid 573 and name HN) (resid 573 and name HB2) 1.8 0.0 1.7 

!inter

assign (resid 573 and name HN) (resid 574 and name HN) 1.8 0.0 1.1

assign (resid 573 and name HN) (resid 572 and name HN) 1.8 0.0 1.1 

assign (resid 573 and name HN) (resid 570 and name HA) 1.8 0.0 3.2 

assign (resid 573 and name HN) (resid 572 and name HA) 1.8 0.0 1.7 

assign (resid 573 and name HN) (resid 572 and name HB#) 1.8 0.0 1.7
 





!L574

!intra

assign (resid 574 and name HN) (resid 574 and name HA) 1.8 0.0 1.1 

assign (resid 574 and name HN) (resid 574 and name HB1) 1.8 0.0 4.2 
assign (resid 574 and name HN) (resid 574 and name HB2) 1.8 0.0 4.2 

assign (resid 574 and name HN) (resid 574 and name HD1#) 1.8 0.0 4.2 
assign (resid 574 and name HN) (resid 574 and name HD2#) 1.8 0.0 4.2 

assign (resid 574 and name HA) (resid 574 and name HD1#) 1.8 0.0 4.2
assign (resid 574 and name HA) (resid 574 and name HD2#) 1.8 0.0 4.2

assign (resid 574 and name HB1) (resid 574 and name HD1#) 1.8 0.0 1.7
assign (resid 574 and name HB1) (resid 574 and name HD2#) 1.8 0.0 1.7
assign (resid 574 and name HB2) (resid 574 and name HD1#) 1.8 0.0 1.7
assign (resid 574 and name HB2) (resid 574 and name HD2#) 1.8 0.0 1.7

!inter

assign (resid 574 and name HN) (resid 571 and name HG2#) 1.8 0.0 4.2

assign (resid 574 and name HN) (resid 575 and name HN) 1.8 0.0 4.2 

assign (resid 574 and name HN) (resid 573 and name HA) 1.8 0.0 1.7
 
assign (resid 574 and name HN) (resid 573 and name HN) 1.8 0.0 1.1 

assign (resid 574 and name HN) (resid 571 and name HA) 1.8 0.0 4.2 

assign (resid 574 and name HN) (resid 573 and name HB1) 1.8 0.0 4.2 
assign (resid 574 and name HN) (resid 573 and name HB2) 1.8 0.0 4.2 

assign (resid 574 and name HN) (resid 575 and name HG#) 1.8 0.0 5.2 


!assign (resid 574 and name HB1) (resid 575 and name HD#) 1.8 0.0 4.2
!assign (resid 574 and name HB2) (resid 575 and name HD#) 1.8 0.0 4.2

!assign (resid 574 and name HB1) (resid 577 and name HA#) 1.8 0.0 4.2
!assign (resid 574 and name HB2) (resid 577 and name HA#) 1.8 0.0 4.2

assign (resid 574 and name HB1) (resid 575 and name HA) 1.8 0.0 4.2 
assign (resid 574 and name HB2) (resid 575 and name HA) 1.8 0.0 4.2 



assign (resid 574 and name HD#) (resid 576 and name HD#) 1.8 0.0 3.2 

assign (resid 574 and name HD#) (resid 582 and name HB#) 1.8 0.0 4.2 



!R575

!intra

assign (resid 575 and name HN) (resid 575 and name HA) 1.8 0.0 1.1 

assign (resid 575 and name HN) (resid 575 and name HB#) 1.8 0.0 4.2 

assign (resid 575 and name HN) (resid 575 and name HG1) 1.8 0.0 4.2 
assign (resid 575 and name HN) (resid 575 and name HG2) 1.8 0.0 4.2 

assign (resid 575 and name HN) (resid 575 and name HD#) 1.8 0.0 4.2

assign (resid 575 and name HA) (resid 575 and name HD#) 1.8 0.0 4.2

assign (resid 575 and name HA) (resid 575 and name HG1) 1.8 0.0 4.2
assign (resid 575 and name HA) (resid 575 and name HG2) 1.8 0.0 4.2

assign (resid 575 and name HB#) (resid 575 and name HD#) 1.8 0.0 1.7

!inter

assign (resid 575 and name HN) (resid 577 and name HA#) 1.8 0.0 5.2 

! assign (resid 575 and name HA) (resid 571 and name HG2#) 1.8 0.0 4.2  

assign (resid 575 and name HN) (resid 574 and name HA) 1.8 0.0 1.7 

assign (resid 575 and name HN) (resid 574 and name HD1#) 1.8 0.0 4.2
assign (resid 575 and name HN) (resid 574 and name HD2#) 1.8 0.0 4.2 

assign (resid 575 and name HA) (resid 574 and (name HD2# or name HD1#)) 1.8 0.0 4.2

assign (resid 575 and name HA) (resid 604 and name HG1#) 1.8 0.0 3.2    !new_0724 








!P576


!intra


!inter







!G577
!intra

assign (resid 577 and name HN) (resid 577 and name HA1) 1.8 0.0 1.1 
assign (resid 577 and name HN) (resid 577 and name HA2) 1.8 0.0 1.1 


!inter

assign (resid 577 and name HN) (resid 578 and name HB#) 1.8 0.0 4.2

assign (resid 577 and name HN) (resid 581 and name HB) 1.8 0.0 4.2

assign (resid 577 and name HN) (resid 576 and name HB#) 1.8 0.0 4.2

assign (resid 577 and name HN) (resid 576 and name HA) 1.8 0.0 1.7   
 
assign (resid 577 and name HN) (resid 578 and name HN) 1.8 0.0 3.2 

assign (resid 577 and name HN) (resid 581 and name HG2#) 1.8 0.0 4.2 

assign (resid 577 and name HN) (resid 574 and (name HD2# or name HD1#)) 1.8 0.0 4.2 

assign (resid 577 and name HN) (resid 575 and name HG#) 1.8 0.0 4.2  

assign (resid 577 and name HN) (resid 601 and (name HD2# or name HD1#)) 1.8 0.0 4.2 







!S578

!intra

assign (resid 578 and name HN) (resid 578 and name HA) 1.8 0.0 1.1
 
assign (resid 578 and name HN) (resid 578 and name HB#) 1.8 0.0 1.1 



!inter

assign (resid 578 and name HN) (resid 576 and name HG#) 1.8 0.0 4.2 

assign (resid 578 and name HN) (resid 577 and name HA1) 1.8 0.0 1.7
assign (resid 578 and name HN) (resid 577 and name HA2) 1.8 0.0 1.7 

assign (resid 578 and name HN) (resid 580 and name HN) 1.8 0.0 4.2 

assign (resid 578 and name HN) (resid 581 and name HG2#) 1.8 0.0 4.2 

assign (resid 578 and name HN) (resid 601 and name HB#) 1.8 0.0 4.2

assign (resid 578 and name HN) (resid 601 and name HD1#) 1.8 0.0 4.2 
assign (resid 578 and name HN) (resid 601 and name HD2#) 1.8 0.0 4.2 

assign (resid 578 and name HN) (resid 604 and name HG1#) 1.8 0.0 4.2

assign (resid 578 and name HN) (resid 604 and name HG2#) 1.8 0.0 4.2






!H579


!intra

assign (resid 579 and name HB#) (resid 579 and name HD#) 1.8 0.0 1.7

assign (residue 579 and name HD2) (residue 579 and name HA) 1.8 0.0 4.2

assign (residue 579 and name HD2) (residue 579 and name HB#) 1.8 0.0 4.2


!inter

assign (resid 579 and name HA) (resid 582 and name HB1) 1.8 0.0 4.2
assign (resid 579 and name HA) (resid 582 and name HB2) 1.8 0.0 4.2

assign (resid 579 and name HA) (resid 601 and (name HD2# or name HD1#)) 1.8 0.0 4.2   


assign (residue 579 and name HE1) (residue 603 and name HB) 1.8 0.0 5.2   

! assign (residue 579 and name HD2) (residue 549 and name HG) 1.8 0.0 4.2  ! check


assign (residue 579 and name HD2) (residue 596 and name HE#) 1.8 0.0 4.2

assign (residue 579 and name HD2) (residue 601 and (name HD2# or name HD1#)) 1.8 0.0 4.2

assign (residue 579 and name HE1) (residue 600 and name HG#) 1.8 0.0 4.2

! assign (residue 579 and name HE1) (residue 605 and name HA) 1.8 0.0 4.2   
assign (resid 579 and name HA) (resid 585 and name HG#) 1.8 0.0 4.2 

assign (resid 579 and name HB#) (resid 585 and name HG#) 1.8 0.0 4.2 





!A580

!intra

assign (resid 580 and name HN) (resid 580 and name HB#) 1.8 0.0 1.1 

!inter

assign (resid 580 and name HN) (resid 578 and name HA) 1.8 0.0 4.2 

assign (resid 580 and name HN) (resid 579 and name HA) 1.8 0.0 1.7

assign (resid 580 and name HN) (resid 579 and name HB#) 1.8 0.0 1.7 

assign (resid 580 and name HN) (resid 581 and name HG2#) 1.8 0.0 4.2

assign (resid 580 and name HN) (resid 582 and name HN) 1.8 0.0 4.2 

! assign (resid 580 and name HN) (resid 582 and name HB#) 1.8 0.0 4.2





!T581

!intra


assign (resid 581 and name HN) (resid 581 and name HA) 1.8 0.0 1.1 

assign (resid 581 and name HN) (resid 581 and name HB) 1.8 0.0 1.7 

assign (resid 581 and name HN) (resid 581 and name HG2#) 1.8 0.0 1.7 

assign (resid 581 and name HA) (resid 581 and name HG2#) 1.8 0.0 1.1

!inter

assign (resid 581 and name HN) (resid 579 and name HA) 1.8 0.0 4.2

assign (resid 581 and name HN) (resid 580 and name HA) 1.8 0.0 1.7 

assign (resid 581 and name HN) (resid 580 and name HB#) 1.8 0.0 1.1 

assign (resid 581 and name HN) (resid 580 and name HN) 1.8 0.0 1.7 

!assign (resid 581 and name HN) (resid 582 and name HB1) 1.8 0.0 4.2  ! check
!assign (resid 581 and name HN) (resid 582 and name HB2) 1.8 0.0 4.2

assign (resid 581 and name HN) (resid 582 and name HN) 1.8 0.0 1.1 

assign (resid 581 and name HN) (resid 583 and name HN) 1.8 0.0 4.2 

assign (resid 581 and name HA) (resid 584 and name HN) 1.8 0.0 4.2

assign (resid 581 and name HA) (resid 582 and name HN) 1.8 0.0 1.7


assign (resid 581 and name HB) (resid 578 and name HN) 1.8 0.0 3.2

assign (resid 581 and name HB) (resid 582 and name HN) 1.8 0.0 3.2

!assign (resid 581 and name HB) (resid 584 and name HN) 1.8 0.0 4.2       

assign (resid 581 and name HB) (resid 576 and name HG#) 1.8 0.0 3.2 

assign (resid 581 and name HB) (resid 576 and name HD#) 1.8 0.0 3.2 

assign (resid 581 and name HG2#) (resid 576 and name HG#) 1.8 0.0 1.7 

assign (resid 581 and name HN) (resid 584 and name HN) 1.8 0.0 4.2  

! assign (resid 581 and name HN) (resid 585 and name HN) 1.8 0.0 4.2  

assign (resid 581 and name HN) (resid 585 and name HG#) 1.8 0.0 3.2  

assign (resid 581 and name HN) (resid 579 and name HD2) 1.8 0.0 4.2  






!L582

!intra

assign (resid 582 and name HN) (resid 582 and name HA) 1.8 0.0 1.1 

assign (resid 582 and name HN) (resid 582 and name HB1) 1.8 0.0 1.7 
assign (resid 582 and name HN) (resid 582 and name HB2) 1.8 0.0 1.7 

assign (resid 582 and name HA) (resid 582 and name HD1#) 1.8 0.0 4.2
assign (resid 582 and name HA) (resid 582 and name HD2#) 1.8 0.0 4.2

assign (resid 582 and name HB1) (resid 582 and name HD1#) 1.8 0.0 1.7
assign (resid 582 and name HB1) (resid 582 and name HD2#) 1.8 0.0 1.7
assign (resid 582 and name HB2) (resid 582 and name HD1#) 1.8 0.0 1.7
assign (resid 582 and name HB2) (resid 582 and name HD2#) 1.8 0.0 1.7

assign (resid 582 and name HN) (resid 582 and name HD1#) 1.8 0.0 3.2 
assign (resid 582 and name HN) (resid 582 and name HD2#) 1.8 0.0 3.2

assign (resid 582 and name HD#) (resid 582 and name HG) 1.8 0.0 1.7 

assign (resid 582 and name HB1) (resid 582 and name HG) 1.8 0.0 1.1 
assign (resid 582 and name HB2) (resid 582 and name HG) 1.8 0.0 1.1 


!inter


assign (resid 582 and name HN) (resid 579 and name HA) 1.8 0.0 4.2
 
assign (resid 582 and name HN) (resid 581 and name HA) 1.8 0.0 1.7 

! assign (resid 582 and name HN) (resid 562 and name HD1#) 1.8 0.0 4.2   ! check

assign (resid 582 and name HN) (resid 584 and name HN) 1.8 0.0 4.2 

assign (resid 582 and name HD#) (resid 571 and name HG1#) 1.8 0.0 4.2 

assign (resid 582 and name HD#) (resid 585 and name HB) 1.8 0.0 4.2   

assign (resid 582 and name HD#) (resid 583 and name HA#) 1.8 0.0 4.2 

assign (resid 582 and name HD#) (resid 571 and name HD1#) 1.8 0.0 4.2 

assign (resid 582 and name HB1) (resid 571 and name HG1#) 1.8 0.0 5.2 
assign (resid 582 and name HB2) (resid 571 and name HG1#) 1.8 0.0 5.2 

assign (resid 582 and name HB1) (resid 585 and name HG#) 1.8 0.0 4.2  
assign (resid 582 and name HB2) (resid 585 and name HG#) 1.8 0.0 4.2  

assign (resid 582 and name HD#) (resid 585 and name HG#) 1.8 0.0 4.2  

! assign (resid 582 and name HN) (resid 574 and name HB#) 1.8 0.0 4.2 









!G583

!intra

assign (resid 583 and name HN) (resid 583 and name HA#) 1.8 0.0 1.1 

!inter

assign (resid 583 and name HN) (resid 582 and name HB#) 1.8 0.0 1.7 

assign (resid 583 and name HN) (resid 582 and name HN) 1.8 0.0 1.7 

assign (resid 583 and name HN) (resid 584 and name HG2#) 1.8 0.0 4.2 

assign (resid 583 and name HN) (resid 584 and name HN) 1.8 0.0 1.1 

assign (resid 583 and name HN) (resid 585 and name HG1#) 1.8 0.0 4.2 

assign (resid 583 and name HN) (resid 585 and name HG#) 1.8 0.0 4.2 

assign (resid 583 and name HA#) (resid 585 and name HG#) 1.8 0.0 4.2 

assign (resid 583 and name HA#) (resid 584 and name HN)  1.8 0.0 1.7 

! assign (resid 583 and name HA#) (resid 574 and name HB#) 1.8 0.0 4.5 

assign (resid 583 and name HN) (resid 582 and name HD#) 1.8 0.0 3.2 

! assign (resid 583 and name HN) (resid 579 and name HB#) 1.8 0.0 4.2  




!T584

!intra


assign (resid 584 and name HN) (resid 584 and name HA) 1.8 0.0 1.1 

assign (resid 584 and name HN) (resid 584 and name HG2#) 1.8 0.0 4.2 

assign (resid 584 and name HB) (resid 584 and name HN) 1.8 0.0 4.2

!inter

assign (resid 584 and name HN) (resid 581 and name HN) 1.8 0.0 4.2

assign (resid 584 and name HN) (resid 581 and name HA) 1.8 0.0 4.2 

assign (resid 584 and name HN) (resid 582 and name HN) 1.8 0.0 4.2

assign (resid 584 and name HN) (resid 583 and name HA#) 1.8 0.0 1.1 

assign (resid 584 and name HN) (resid 585 and name HA) 1.8 0.0 4.2   

assign (resid 584 and name HN) (resid 585 and name HN) 1.8 0.0 1.7

! assign (resid 584 and name HN) (resid 585 and name HB) 1.8 0.0 5.2   
 
assign (resid 584 and name HN) (resid 585 and name HG#) 1.8 0.0 4.2
 
! assign (resid 584 and name HN) (resid 586 and name HA) 1.8 0.0 4.2   

! assign (resid 584 and name HN) (resid 596 and name HA) 1.8 0.0 4.2   


assign (resid 584 and name HA) (resid 585 and name HN) 1.8 0.0 1.7

assign (resid 584 and name HB) (resid 585 and name HA) 1.8 0.0 4.2

assign (resid 584 and name HB) (resid 583 and name HA1) 1.8 0.0 4.2  ! check
assign (resid 584 and name HB) (resid 583 and name HA2) 1.8 0.0 4.2


! assign (resid 584 and name HG2#) (resid 581 and name HA) 1.8 0.0 4.2 







!V585

!intra

assign (resid 585 and name HN) (resid 585 and name HA) 1.8 0.0 1.1 

assign (resid 585 and name HN) (resid 585 and name HB) 1.8 0.0 3.2 

assign (resid 585 and name HN) (resid 585 and name HG1#) 1.8 0.0 4.2 
assign (resid 585 and name HN) (resid 585 and name HG2#) 1.8 0.0 4.2 

assign (resid 585 and name HA) (resid 585 and (name HG1# or name HG2#)) 1.8 0.0 1.7


!inter

! assign (resid 585 and name HN) (resid 581 and name HN) 1.8 0.0 4.2  !!

assign (resid 585 and name HN) (resid 582 and name HN) 1.8 0.0 4.2

assign (resid 585 and name HN) (resid 583 and name HN) 1.8 0.0 4.2

assign (resid 585 and name HN) (resid 583 and name HA#) 1.8 0.0 4.2 


assign (resid 585 and name HN) (resid 584 and name HA) 1.8 0.0 1.7 

assign (resid 585 and name HN) (resid 584 and name HG2#) 1.8 0.0 4.2

assign (resid 585 and name HN) (resid 586 and name HN) 1.8 0.0 4.2
 
! assign (resid 585 and name HN) (resid 588 and name HB) 1.8 0.0 4.2 



assign (resid 585 and name HA) (resid 586 and name HN) 1.8 0.0 1.7

assign (resid 585 and name HA) (resid 584 and name HG2#) 1.8 0.0 4.2 

assign (resid 585 and name HA) (resid 582 and name HB#) 1.8 0.0 4.2 

assign (resid 585 and name HA) (resid 582 and name HG) 1.8 0.0 4.2  

assign (resid 585 and name HA) (resid 582 and name HD2#) 1.8 0.0 4.2  

assign (resid 585 and name HA) (resid 596 and name HE#) 1.8 0.0 5.2  

assign (resid 585 and name HG#) (resid 571 and name HA) 1.8 0.0 5.2   







!S586

!intra

assign (resid 586 and name HN) (resid 586 and name HA) 1.8 0.0 1.1 

assign (resid 586 and name HN) (resid 586 and name HB#) 1.8 0.0 1.1 


!inter

! assign (resid 586 and name HN) (resid 583 and name HN) 1.8 0.0 4.2

assign (resid 586 and name HN) (resid 585 and name HB) 1.8 0.0 4.2

assign (resid 586 and name HN) (resid 585 and name HN) 1.8 0.0 4.2

assign (resid 586 and name HN) (resid 585 and name HG#) 1.8 0.0 1.7 

assign (resid 586 and name HN) (resid 593 and name HD#) 1.8 0.0 4.2 



!G587


!intra

assign (resid 587 and name HN) (resid 587 and name HA1) 1.8 0.0 1.1 
assign (resid 587 and name HN) (resid 587 and name HA2) 1.8 0.0 1.7



!inter

assign (resid 587 and name HN) (resid 586 and name HB#) 1.8 0.0 1.7 

assign (resid 587 and name HN) (resid 586 and name HA) 1.8 0.0 1.7 

assign (resid 587 and name HN) (resid 588 and name HA) 1.8 0.0 4.2 





!V588

!intra

assign (resid 588 and name HN) (resid 588 and name HA) 1.8 0.0 1.1 

assign (resid 588 and name HN) (resid 588 and name HB) 1.8 0.0 4.2 

assign (resid 588 and name HN) (resid 588 and name HG1#) 1.8 0.0 4.2 
assign (resid 588 and name HN) (resid 588 and name HG2#) 1.8 0.0 4.2 

assign (resid 588 and name HA) (resid 588 and name HG1#) 1.8 0.0 1.7
assign (resid 588 and name HA) (resid 588 and name HG2#) 1.8 0.0 1.7

assign (resid 588 and (name HG1# or name HG2#)) (resid 588 and name HB) 1.8 0.0 1.7


!inter

assign (resid 588 and name HN) (resid 563 and name HE#) 1.8 0.0 4.2

assign (resid 588 and name HN) (resid 587 and name HA1) 1.8 0.0 1.7 
assign (resid 588 and name HN) (resid 587 and name HA2) 1.8 0.0 1.7 

assign (resid 588 and name HN) (resid 587 and name HN) 1.8 0.0 1.7 

assign (resid 588 and name HN) (resid 589 and name HN) 1.8 0.0 4.2

assign (resid 588 and name HN) (resid 589 and name HA#) 1.8 0.0 4.2 
 



assign (resid 588 and name HA) (resid 563 and name HE#) 1.8 0.0 4.2

! assign (resid 588 and name HB) (resid 579 and name HA) 1.8 0.0 4.2     

assign (resid 588 and name HB) (resid 586 and name HB#) 1.8 0.0 5.2 





assign (resid 588 and name HB) (resid 589 and name HA#) 1.8 0.0 4.2


assign (resid 588 and (name HG1# or name HG2#)) (resid 587 and name HA#) 1.8 0.0 4.2

assign (resid 588 and (name HG1# or name HG2#)) (resid 589 and name HA#) 1.8 0.0 1.7

! assign (resid 588 and name HB) (resid 582 and name HB#) 1.8 0.0 4.2 

! assign (resid 588 and name HB) (resid 583 and name HA#) 1.8 0.0 4.2 

assign (resid 588 and name HG2#) (resid 585 and name HB) 1.8 0.0 4.2 

assign (resid 588 and name HG2#) (resid 585 and name HB) 1.8 0.0 4.2 

assign (resid 588 and name HG1#) (resid 596 and name HD#) 1.8 0.0 4.2 
assign (resid 588 and name HG2#) (resid 596 and name HD#) 1.8 0.0 5.2 

assign (resid 588 and name HG1#) (resid 563 and name HE#) 1.8 0.0 4.2 
assign (resid 588 and name HG2#) (resid 563 and name HE#) 1.8 0.0 4.2 

assign (resid 588 and name HG2#) (resid 593 and name HB1) 1.8 0.0 4.2 
assign (resid 588 and name HG2#) (resid 593 and name HB2) 1.8 0.0 4.2 

assign (resid 588 and name HG2#) (resid 593 and name HB#) 1.8 0.0 4.2 

assign (resid 588 and name HG2#) (resid 571 and name HD1#) 1.8 0.0 4.2 




assign (resid 588 and name HG1#) (resid 563 and name HE#) 1.8 0.0 4.2 

! assign (resid 588 and name HG2#) (resid 594 and name HB#) 1.8 0.0 4.2
 
assign (resid 588 and name HG2#) (resid 587 and name HA#) 1.8 0.0 3.2 







!G589

!intra


assign (resid 589 and name HN) (resid 589 and name HA#) 1.8 0.0 1.1 




!inter

!assign (resid 589 and name HN) (resid 590 and name HA1) 1.8 0.0 4.2

assign (resid 589 and name HN) (resid 590 and name HN) 1.8 0.0 4.2

assign (resid 589 and name HN) (resid 588 and name HA) 1.8 0.0 1.7 

assign (resid 589 and name HN) (resid 588 and name HB) 1.8 0.0 3.2 

assign (resid 589 and name HN) (resid 588 and name HG1#) 1.8 0.0 4.2 
assign (resid 589 and name HN) (resid 588 and name HG2#) 1.8 0.0 4.2 

assign (resid 589 and name HN) (resid 590 and name HA#) 1.8 0.0 4.2 


assign (resid 589 and name HA#) (resid 590 and name HN) 1.8 0.0 1.7




!G590

!intra


assign (resid 590 and name HN) (resid 590 and name HA1) 1.8 0.0 1.1 
assign (resid 590 and name HN) (resid 590 and name HA2) 1.8 0.0 1.1 


!inter

assign (resid 590 and name HN) (resid 589 and name HA#) 1.8 0.0 1.7 

assign (resid 590 and name HN) (resid 589 and name HN) 1.8 0.0 3.2 



!R591


!intra

assign (resid 591 and name HA) (resid 591 and name HD#) 1.8 0.0 1.1

assign (resid 591 and name HA) (resid 591 and name HG1) 1.8 0.0 1.7
assign (resid 591 and name HA) (resid 591 and name HG2) 1.8 0.0 1.7



!inter

assign (resid 591 and name HN) (resid 591 and name HB#) 1.8 0.0 4.2

!assign (resid 591 and name HA) (resid 592 and name HE#) 1.8 0.0 4.2

assign (resid 591 and name HA) (resid 594 and name HB#) 1.8 0.0 4.2

assign (resid 591 and name HA) (resid 592 and name HN) 1.8 0.0 1.7

assign (resid 591 and name HA) (resid 594 and name HN) 1.8 0.0 4.2





!K592


!intra

assign (resid 592 and name HN) (resid 592 and name HE#) 1.8 0.0 4.2

assign (resid 592 and name HN) (resid 592 and name HB1) 1.8 0.0 1.7 
assign (resid 592 and name HN) (resid 592 and name HB2) 1.8 0.0 1.7 

assign (resid 592 and name HA) (resid 592 and name HD#) 1.8 0.0 4.2

assign (resid 592 and name HA) (resid 592 and name HE#) 1.8 0.0 4.2

assign (resid 592 and name HA) (resid 592 and name HG#) 1.8 0.0 1.7

assign (resid 592 and name HA) (resid 592 and name HN) 1.8 0.0 1.1

assign (resid 592 and name HB1) (resid 592 and name HD#) 1.8 0.0 1.7
assign (resid 592 and name HB2) (resid 592 and name HD#) 1.8 0.0 1.7

assign (resid 592 and name HG#) (resid 592 and name HE#) 1.8 0.0 1.1

assign (resid 592 and name HG#) (resid 592 and name HN) 1.8 0.0 3.2




 


!inter

assign (resid 592 and name HN) (resid 590 and name HA#) 1.8 0.0 4.2

assign (resid 592 and name HN) (resid 591 and name HA) 1.8 0.0 1.7 

assign (resid 592 and name HN) (resid 591 and name HN) 1.8 0.0 1.7 

assign (resid 592 and name HN) (resid 593 and name HD#) 1.8 0.0 4.2

!assign (resid 592 and name HN) (resid 593 and name HB1) 1.8 0.0 4.2 ! check
!assign (resid 592 and name HN) (resid 593 and name HB2) 1.8 0.0 4.2 



! assign (resid 592 and name HN) (resid 593 and name HG) 1.8 0.0 4.8 

assign (resid 592 and name HN) (resid 594 and name HN) 1.8 0.0 4.2


assign (resid 592 and name HA) (resid 595 and name HB#) 1.8 0.0 4.2

assign (resid 592 and name HA) (resid 596 and name HD#) 1.8 0.0 4.2


assign (resid 592 and name HB#) (resid 596 and name HD#) 1.8 0.0 4.2


assign (resid 592 and name HG#) (resid 596 and name HD#) 1.8 0.0 4.2  ! check

assign (resid 592 and name HG#) (resid 596 and name HE#) 1.8 0.0 4.2

assign (resid 592 and name HB#) (resid 555 and name HA) 1.8 0.0 4.2 

!assign (resid 592 and name HB#) (resid 547 and name HD1) 1.8 0.0 4.2 
!!!!!!check





!L593

!intra


assign (resid 593 and name HN) (resid 593 and name HA) 1.8 0.0 1.1 

assign (resid 593 and name HN) (resid 593 and name HB1) 1.8 0.0 1.7 
assign (resid 593 and name HN) (resid 593 and name HB2) 1.8 0.0 1.7 

assign (resid 593 and name HN) (resid 593 and name HG) 1.8 0.0 3.2 

assign (resid 593 and name HA) (resid 593 and name HD#) 1.8 0.0 1.7

assign (resid 593 and name HA) (resid 593 and name HG) 1.8 0.0 1.7

assign (resid 593 and name HN) (resid 593 and name HD#) 1.8 0.0 1.7 



!inter




assign (resid 593 and name HN) (resid 594 and name HN) 1.8 0.0 1.1 

assign (resid 593 and name HN) (resid 592 and name HB#) 1.8 0.0 1.7 

assign (resid 593 and name HN) (resid 592 and name HN) 1.8 0.0 1.1 

assign (resid 593 and name HN) (resid 592 and name HA) 1.8 0.0 1.7 

assign (resid 593 and name HN) (resid 592 and name HD#) 1.8 0.0 4.2 

assign (resid 593 and name HN) (resid 594 and name HB#) 1.8 0.0 4.2 




assign (resid 593 and name HA) (resid 594 and name HN) 1.8 0.0 1.7

assign (resid 593 and name HA) (resid 595 and name HN) 1.8 0.0 4.2

assign (resid 593 and name HA) (resid 596 and name HB#) 1.8 0.0 4.2

assign (resid 593 and name HA) (resid 596 and name HN) 1.8 0.0 4.2


assign (resid 593 and name HB1) (resid 594 and name HN) 1.8 0.0 4.2
assign (resid 593 and name HB2) (resid 594 and name HN) 1.8 0.0 4.2

!assign (resid 593 and name HB#) (resid 592 and name HE#) 1.8 0.0 4.2

assign (resid 593 and name HB#) (resid 594 and name HA) 1.8 0.0 4.2






!A594

!intra

assign (resid 594 and name HN) (resid 594 and name HA) 1.8 0.0 1.1 

assign (resid 594 and name HN) (resid 594 and name HB#) 1.8 0.0 1.1 



!inter


assign (resid 594 and name HN) (resid 592 and name HA) 1.8 0.0 4.2

! assign (resid 594 and name HN) (resid 593 and name HB1) 1.8 0.0 1.7   ! repeated
! assign (resid 594 and name HN) (resid 593 and name HB2) 1.8 0.0 1.7
 
assign (resid 594 and name HN) (resid 593 and name HN) 1.8 0.0 1.1 

assign (resid 594 and name HN) (resid 593 and name HA) 1.8 0.0 1.7 

assign (resid 594 and name HN) (resid 593 and name HG) 1.8 0.0 4.2
 
assign (resid 594 and name HN) (resid 595 and name HB#) 1.8 0.0 4.2 

assign (resid 594 and name HN) (resid 596 and name HN) 1.8 0.0 4.2 



assign (resid 594 and name HA) (resid 596 and name HN) 1.8 0.0 4.2







!A595

!intra


assign (resid 595 and name HN) (resid 595 and name HA) 1.8 0.0 1.1 

assign (resid 595 and name HN) (resid 595 and name HB#) 1.8 0.0 1.1 




!inter

! assign (resid 595 and name HN) (resid 593 and name HB#) 1.8 0.0 4.2  ! check

assign (resid 595 and name HN) (resid 592 and name HA) 1.8 0.0 4.2
 
assign (resid 595 and name HN) (resid 594 and name HB#) 1.8 0.0 1.1 

assign (resid 595 and name HN) (resid 593 and name HA) 1.8 0.0 4.2
 
assign (resid 595 and name HN) (resid 594 and name HA) 1.8 0.0 1.7 

! assign (resid 595 and name HN) (resid 596 and name HN) 1.8 0.0 1.1  ! repeated

! assign (resid 595 and name HB#) (resid 593 and name HB#) 1.8 0.0 4.2   ! check

! assign (resid 595 and name HB#) (resid 594 and name HB#) 1.8 0.0 4.2   ! check

assign (resid 595 and name HB#) (resid 596 and name HD#) 1.8 0.0 4.2

!assign (resid 595 and name HB#) (resid 596 and name HE#) 1.8 0.0 4.2    ! repeated

assign (resid 595 and name HB#) (resid 596 and name HN) 1.8 0.0 1.1







!Y596



!intra

assign (resid 596 and name HN) (resid 596 and name HA) 1.8 0.0 1.7 

assign (resid 596 and name HN) (resid 596 and name HD#) 1.8 0.0 1.7

assign (resid 596 and name HN) (resid 596 and name HE#) 1.8 0.0 4.2

assign (resid 596 and name HN) (resid 596 and name HB1) 1.8 0.0 1.7 
assign (resid 596 and name HN) (resid 596 and name HB2) 1.8 0.0 1.7


assign (resid 596 and name HA) (resid 596 and name HD#) 1.8 0.0 4.2

!assign (resid 596 and name HB1) (resid 596 and name HD#) 1.8 0.0 1.1  ! repeated
!assign (resid 596 and name HB2) (resid 596 and name HD#) 1.8 0.0 1.1

assign (resid 596 and name HB1) (resid 596 and name HE#) 1.8 0.0 4.2
assign (resid 596 and name HB2) (resid 596 and name HE#) 1.8 0.0 4.2


! assign (residue 596 and name HD#) (residue 596 and name HA) 1.8 0.0 1.7  ! repeated

assign (residue 596 and name HD#) (residue 596 and name HB1) 1.8 0.0 1.7
assign (residue 596 and name HD#) (residue 596 and name HB2) 1.8 0.0 1.7





!inter

! assign (resid 596 and name HN) (resid 593 and name HB#) 1.8 0.0 4.2  ! check

! assign (resid 596 and name HN) (resid 594 and name HB#) 1.8 0.0 4.2  ! check

! assign (resid 596 and name HN) (resid 597 and name HA#) 1.8 0.0 4.2  ! check

assign (resid 596 and name HN) (resid 594 and name HA) 1.8 0.0 4.2

assign (resid 596 and name HN) (resid 592 and name HA) 1.8 0.0 4.2 

assign (resid 596 and name HN) (resid 595 and name HB#) 1.8 0.0 1.1 

assign (resid 596 and name HN) (resid 595 and name HN) 1.8 0.0 1.1 

assign (resid 596 and name HN) (resid 595 and name HA) 1.8 0.0 1.7



assign (resid 596 and name HA) (resid 599 and name HB#) 1.8 0.0 4.2

assign (residue 596 and name HD#) (residue 593 and name HB#) 1.8 0.0 4.2

! assign (residue 596 and name HD#) (residue 586 and name HN) 1.8 0.0 4.2  ! check

! assign (residue 596 and name HE#) (residue 594 and name HB#) 1.8 0.0 4.2

assign (residue 596 and name HE#) (residue 595 and name HB#) 1.8 0.0 5.2

assign (residue 596 and name HB1) (residue 547 and name HE1) 1.8 0.0 4.2 
assign (residue 596 and name HB2) (residue 547 and name HE1) 1.8 0.0 4.2 

assign (residue 596 and name HB1) (residue 600 and name HG2#) 1.8 0.0 4.2 
assign (residue 596 and name HB2) (residue 600 and name HG2#) 1.8 0.0 4.2 

assign (residue 596 and name HD#) (residue 593 and name HA) 1.8 0.0 4.2 

assign (residue 596 and name HD#) (residue 593 and name HG) 1.8 0.0 5.2 




!G597


!intra

assign (resid 597 and name HN) (resid 597 and name HA1) 1.8 0.0 1.1 

assign (resid 597 and name HN) (resid 597 and name HA2) 1.8 0.0 1.1 


!inter

assign (resid 597 and name HN) (resid 595 and name HA) 1.8 0.0 4.2 

! assign (resid 597 and name HN) (resid 595 and name HB#) 1.8 0.0 1.7  ! check

assign (resid 597 and name HN) (resid 595 and name HN) 1.8 0.0 4.5 

assign (resid 597 and name HN) (resid 596 and name HA) 1.8 0.0 1.7 

assign (resid 597 and name HN) (resid 596 and name HB1) 1.8 0.0 4.2
assign (resid 597 and name HN) (resid 596 and name HB2) 1.8 0.0 4.2 

! assign (resid 597 and name HN) (resid 598 and name HB#) 1.8 0.0 4.2 ! check

! assign (resid 597 and name HN) (resid 598 and name HN) 1.8 0.0 1.7  ! repeated

assign (resid 597 and name HN) (resid 599 and name HN) 1.8 0.0 4.2

assign (resid 597 and name HN) (resid 600 and name HN) 1.8 0.0 4.2 

! assign (resid 597 and name HN) (resid 600 and name HA) 1.8 0.0 4.2  ! check


assign (resid 597 and name HA1) (resid 600 and name HB) 1.8 0.0 4.2
assign (resid 597 and name HA2) (resid 600 and name HB) 1.8 0.0 4.2

assign (resid 597 and name HA1) (resid 585 and name HG#) 1.8 0.0 4.2 
assign (resid 597 and name HA2) (resid 585 and name HG#) 1.8 0.0 4.2 

!assign (resid 597 and name HA1) (resid 582 and name HD#) 1.8 0.0 4.2 

assign (resid 597 and name HA#) (resid 582 and name HD#) 1.8 0.0 5.2 





!D598


!intra

assign (resid 598 and name HN) (resid 598 and name HA) 1.8 0.0 1.1 

assign (resid 598 and name HN) (resid 598 and name HB#) 1.8 0.0 1.1 



!inter

assign (resid 598 and name HN) (resid 594 and name HA) 1.8 0.0 4.2

assign (resid 598 and name HN) (resid 599 and name HB#) 1.8 0.0 4.2

assign (resid 598 and name HN) (resid 599 and name HN) 1.8 0.0 1.1 

assign (resid 598 and name HN) (resid 595 and name HA) 1.8 0.0 4.2 

assign (resid 598 and name HN) (resid 597 and name HA2) 1.8 0.0 1.7 
assign (resid 598 and name HN) (resid 597 and name HA1) 1.8 0.0 1.7 

assign (resid 598 and name HN) (resid 600 and name HN) 1.8 0.0 4.2 

assign (resid 598 and name HN) (resid 597 and name HN) 1.8 0.0 1.7 


assign (resid 598 and name HB#) (resid 599 and name HN) 1.8 0.0 1.1




!E599


!intra


assign (resid 599 and name HN) (resid 599 and name HB#) 1.8 0.0 1.1 

assign (resid 599 and name HA) (resid 599 and name HN) 1.8 0.0 1.1

assign (resid 599 and name HG1) (resid 599 and name HA) 1.8 0.0 1.7
assign (resid 599 and name HG2) (resid 599 and name HA) 1.8 0.0 1.7

assign (resid 599 and name HG2) (resid 599 and name HN) 1.8 0.0 1.7
assign (resid 599 and name HN) (resid 599 and name HG1) 1.8 0.0 1.7

assign (resid 599 and name HN) (resid 599 and name HA) 1.8 0.0 1.7
 
 


!inter

assign (resid 599 and name HN) (resid 595 and name HA) 1.8 0.0 4.2 

assign (resid 599 and name HN) (resid 596 and name HA) 1.8 0.0 4.2

assign (resid 599 and name HN) (resid 598 and name HB#) 1.8 0.0 1.1 

assign (resid 599 and name HN) (resid 598 and name HA) 1.8 0.0 1.7 

assign (resid 599 and name HN) (resid 598 and name HN) 1.8 0.0 1.7 

! assign (resid 599 and name HN) (resid 600 and name HB) 1.8 0.0 4.2  ! check

assign (resid 599 and name HN) (resid 601 and name HN) 1.8 0.0 4.2

assign (resid 599 and name HN) (resid 600 and name HN) 1.8 0.0 1.1 


assign (resid 599 and name HA) (resid 600 and name HN) 1.8 0.0 3.2

assign (resid 599 and name HA) (resid 602 and name HB#) 1.8 0.0 4.2

assign (resid 599 and name HN) (resid 600 and name HG2#) 1.8 0.0 3.2  

assign (resid 599 and name HN) (resid 602 and name HN) 1.8 0.0 3.2  







!V600


!intra


assign (resid 600 and name HN) (resid 600 and name HA) 1.8 0.0 1.1 

assign (resid 600 and name HN) (resid 600 and name HB) 1.8 0.0 1.1 

assign (resid 600 and name HN) (resid 600 and name HG2#) 1.8 0.0 1.7
assign (resid 600 and name HN) (resid 600 and name HG1#) 1.8 0.0 1.7 

 
assign (resid 600 and name HA) (resid 600 and name HG1#) 1.8 0.0 1.1
assign (resid 600 and name HA) (resid 600 and name HG2#) 1.8 0.0 1.1


assign (resid 600 and name HG1#) (resid 600 and name HG2#) 1.8 0.0 1.1


assign (resid 600 and name HG2#) (resid 600 and name HB) 1.8 0.0 1.7 
assign (resid 600 and name HG1#) (resid 600 and name HB) 1.8 0.0 1.7 





!inter

assign (resid 600 and name HN) (resid 597 and name HA1) 1.8 0.0 4.2
assign (resid 600 and name HN) (resid 597 and name HA2) 1.8 0.0 4.2

assign (resid 600 and name HN) (resid 601 and name HN) 1.8 0.0 1.1 

assign (resid 600 and name HN) (resid 599 and name HB#) 1.8 0.0 1.7 

assign (resid 600 and name HN) (resid 598 and name HN) 1.8 0.0 4.2 

assign (resid 600 and name HN) (resid 599 and name HA) 1.8 0.0 1.7 

assign (resid 600 and name HN) (resid 602 and name HN) 1.8 0.0 4.2 




assign (resid 600 and name HA) (resid 602 and name HN) 1.8 0.0 4.2

assign (resid 600 and name HA) (resid 603 and name HB) 1.8 0.0 4.2

assign (resid 600 and name HA) (resid 604 and name HN) 1.8 0.0 4.2

assign (resid 600 and name HA) (resid 599 and name HB#) 1.8 0.0 4.2

assign (resid 600 and name HA) (resid 603 and name HN) 1.8 0.0 4.2

assign (resid 600 and name HB) (resid 601 and name HN) 1.8 0.0 1.7


assign (resid 600 and name HG2#) (resid 599 and name HB#) 1.8 0.0 4.2
assign (resid 600 and name HG1#) (resid 599 and name HB#) 1.8 0.0 4.2

assign (resid 600 and name HB) (resid 604 and name HG2#) 1.8 0.0 4.2 

assign (resid 600 and name HG1#) (resid 603 and name HG#) 1.8 0.0 4.2 
assign (resid 600 and name HG2#) (resid 603 and name HG#) 1.8 0.0 4.2 

assign (resid 600 and name HG2#) (resid 596 and name HD#) 1.8 0.0 4.2 


!!!!-------------20110728added

assign (resid 600 and name HG1#) (resid 544 and name HB#) 1.8 0.0 3.2


! assign (resid 600 and name HG1#) (resid 545 and name HG1) 1.8 0.0 4.2
! assign (resid 600 and name HG1#) (resid 545 and name HG#) 1.8 0.0 4.5

! assign (resid 600 and name HG1#) (resid 545 and name HA) 1.8 0.0 4.2

assign (resid 600 and name HG1#) (resid 547 and name HD1) 1.8 0.0 3.2

assign (resid 600 and name HG1#) (resid 604 and name HN) 1.8 0.0 1.7

assign (resid 600 and name HG1#) (resid 605 and name HN) 1.8 0.0 4.2

assign (resid 600 and name HG2#) (resid 544 and name HB#) 1.8 0.0 3.2

!assign (resid 600 and name HG2#) (resid 545 and name HG#) 1.8 0.0 4.2

assign (resid 600 and name HG2#) (resid 547 and name HB#) 1.8 0.0 1.7

assign (resid 600 and name HG2#) (resid 596 and name HE#) 1.8 0.0 3.2

assign (resid 600 and name HG2#) (resid 596 and name HB#) 1.8 0.0 3.2







!L601

!intra


assign (resid 601 and name HN) (resid 601 and name HA) 1.8 0.0 1.1 

assign (resid 601 and name HN) (resid 601 and name HB1) 1.8 0.0 1.7 
assign (resid 601 and name HN) (resid 601 and name HB2) 1.8 0.0 1.7 

assign (resid 601 and name HN) (resid 601 and name HD1#) 1.8 0.0 3.2 
assign (resid 601 and name HN) (resid 601 and name HD2#) 1.8 0.0 3.2 

assign (resid 601 and name HN) (resid 601 and name HG) 1.8 0.0 1.7 


assign (resid 601 and name HA) (resid 601 and name HD1#) 1.8 0.0 4.2
assign (resid 601 and name HD2#) (resid 601 and name HA) 1.8 0.0 4.2


assign (resid 601 and name HA) (resid 601 and name HG) 1.8 0.0 1.7



assign (resid 601 and name HB1) (resid 601 and name HD1#) 1.8 0.0 1.7
assign (resid 601 and name HB1) (resid 601 and name HD2#) 1.8 0.0 1.7
assign (resid 601 and name HB2) (resid 601 and name HD2#) 1.8 0.0 1.7
assign (resid 601 and name HB2) (resid 601 and name HD1#) 1.8 0.0 1.7





!inter

assign (resid 601 and name HN) (resid 597 and name HA1) 1.8 0.0 4.2

assign (resid 601 and name HN) (resid 597 and name HA2) 1.8 0.0 4.2

assign (resid 601 and name HN) (resid 598 and name HA) 1.8 0.0 3.2 

assign (resid 601 and name HN) (resid 599 and name HA) 1.8 0.0 4.2

assign (resid 601 and name HN) (resid 599 and name HB#) 1.8 0.0 4.2

assign (resid 601 and name HN) (resid 600 and name HA) 1.8 0.0 4.2

assign (resid 601 and name HN) (resid 603 and name HG1#) 1.8 0.0 4.2

assign (resid 601 and name HN) (resid 602 and name HN) 1.8 0.0 1.1 

assign (resid 601 and name HN) (resid 600 and name HN) 1.8 0.0 4.2 


assign (resid 601 and (name HD1# or name HD2#)) (resid 578 and name HN) 1.8 0.0 4.2

assign (resid 601 and name HD1#) (resid 598 and name HA) 1.8 0.0 3.2
assign (resid 601 and name HD2#) (resid 598 and name HA) 1.8 0.0 3.2

assign (resid 601 and name HD1#) (resid 599 and name HA) 1.8 0.0 4.2
assign (resid 601 and name HD2#) (resid 599 and name HA) 1.8 0.0 4.2

assign (resid 601 and (name HD1# or name HD2#)) (resid 599 and name HB#) 1.8 0.0 4.2

assign (resid 601 and (name HD1# or name HD2#)) (resid 600 and name HN) 1.8 0.0 4.2



assign (resid 601 and name HG) (resid 599 and name HB#) 1.8 0.0 4.2



assign (resid 601 and name HA) (resid 602 and name HN) 1.8 0.0 1.7

assign (resid 601 and name HA) (resid 604 and name HB) 1.8 0.0 4.2

assign (resid 601 and name HA) (resid 604 and name HN) 1.8 0.0 4.2

assign (resid 601 and name HA) (resid 605 and name HN) 1.8 0.0 4.2



assign (resid 601 and name HB1) (resid 598 and name HA) 1.8 0.0 4.2
assign (resid 601 and name HB2) (resid 598 and name HA) 1.8 0.0 4.2

assign (resid 601 and name HA) (resid 604 and name HG1#) 1.8 0.0 4.2 
assign (resid 601 and name HA) (resid 604 and name HG2#) 1.8 0.0 4.2 







!Q602

!intra


assign (resid 602 and name HN) (resid 602 and name HA) 1.8 0.0 1.1 

assign (resid 602 and name HN) (resid 602 and name HB#) 1.8 0.0 1.1 

assign (resid 602 and name HN) (resid 602 and name HG#) 1.8 0.0 4.2 

assign (resid 602 and name HA) (resid 602 and name HG#) 1.8 0.0 1.7


!inter

assign (resid 602 and name HN) (resid 598 and name HA) 1.8 0.0 4.2

!assign (resid 602 and name HN) (resid 600 and name HA) 1.8 0.0 4.2

!assign (resid 602 and name HN) (resid 600 and name HN) 1.8 0.0 4.2

assign (resid 602 and name HN) (resid 601 and name HD1#) 1.8 0.0 4.2
assign (resid 602 and name HN) (resid 601 and name HD2#) 1.8 0.0 4.2

assign (resid 602 and name HN) (resid 603 and name HN) 1.8 0.0 1.1 

assign (resid 602 and name HN) (resid 601 and name HB1) 1.8 0.0 4.2
assign (resid 602 and name HN) (resid 601 and name HB2) 1.8 0.0 4.2 

assign (resid 602 and name HN) (resid 599 and name HA) 1.8 0.0 1.7
 
assign (resid 602 and name HN) (resid 601 and name HG) 1.8 0.0 1.7 

assign (resid 602 and name HN) (resid 603 and name HG1#) 1.8 0.0 4.2
 
assign (resid 602 and name HN) (resid 604 and name HN) 1.8 0.0 4.2


assign (resid 602 and name HA) (resid 603 and (name HG1# or name HG2#)) 1.8 0.0 4.2

assign (resid 602 and name HA) (resid 603 and name HN) 1.8 0.0 1.7

assign (resid 602 and name HA) (resid 605 and name HN) 1.8 0.0 4.2

!assign (resid 602 and name HA) (resid 601 and name HB1) 1.8 0.0 4.2  ! check
!assign (resid 602 and name HA) (resid 601 and name HB2) 1.8 0.0 4.2

assign (resid 602 and name HA) (resid 604 and name HN) 1.8 0.0 4.2

assign (resid 602 and name HA) (resid 606 and name HN) 1.8 0.0 4.2






!V603

!intra

assign (resid 603 and name HN) (resid 603 and name HA) 1.8 0.0 1.1 

assign (resid 603 and name HN) (resid 603 and name HB) 1.8 0.0 1.7 

assign (resid 603 and name HN) (resid 603 and name HG1#) 1.8 0.0 1.7 
assign (resid 603 and name HN) (resid 603 and name HG2#) 1.8 0.0 1.7 


assign (resid 603 and name HA) (resid 603 and name HG1#) 1.8 0.0 1.1
assign (resid 603 and name HA) (resid 603 and name HG2#) 1.8 0.0 1.1


!inter

assign (resid 603 and name HN) (resid 599 and name HA) 1.8 0.0 4.2

assign (resid 603 and name HN) (resid 600 and name HG1#) 1.8 0.0 4.2

assign (resid 603 and name HN) (resid 604 and name HN) 1.8 0.0 1.1 

assign (resid 603 and name HN) (resid 601 and name HA) 1.8 0.0 4.2 

assign (resid 603 and name HN) (resid 602 and name HG#) 1.8 0.0 4.2 

assign (resid 603 and name HA) (resid 606 and name HB#) 1.8 0.0 4.2

!assign (resid 603 and name HN) (resid 600 and name HA) 1.8 0.0 1.7
!assign (resid 603 and name HN) (resid 602 and name HA) 1.8 0.0 1.7 

assign (resid 603 and name HN) (resid 602 and name HB#) 1.8 0.0 1.7 

assign (resid 603 and name HN) (resid 605 and name HN) 1.8 0.0 4.2 


!!!!-------20110728added

! assign (resid 603 and name HA) (resid 597 and name HA1) 1.8 0.0 1.7 
assign (resid 603 and name HB) (resid 600 and name HA) 1.8 0.0 1.7 

assign (resid 603 and name HG#) (resid 544 and name HA) 1.8 0.0 1.7 
assign (resid 603 and name HG#) (resid 602 and name HB#) 1.8 0.0 1.7 

assign (resid 603 and name HG#) (resid 546 and name HB#) 1.8 0.0 1.7 
assign (resid 603 and name HG#) (resid 600 and name HA) 1.8 0.0 1.7 





!V604

!intra
 
assign (resid 604 and name HN) (resid 604 and name HA) 1.8 0.0 1.1 

assign (resid 604 and name HN) (resid 604 and name HB) 1.8 0.0 1.7 

assign (resid 604 and name HN) (resid 604 and name HG1#) 1.8 0.0 1.7 
assign (resid 604 and name HN) (resid 604 and name HG2#) 1.8 0.0 1.7 


assign (resid 604 and name HA) (resid 604 and name HG1#) 1.8 0.0 1.1
assign (resid 604 and name HA) (resid 604 and name HG2#) 1.8 0.0 1.1




!inter

assign (resid 604 and name HN) (resid 600 and name HA) 1.8 0.0 4.2

! assign (resid 604 and name HN) (resid 605 and name HA) 1.8 0.0 4.2   ! check

assign (resid 604 and name HN) (resid 606 and name HN) 1.8 0.0 4.2

assign (resid 604 and name HN) (resid 603 and name HA) 1.8 0.0 1.7 

assign (resid 604 and name HN) (resid 603 and name HB) 1.8 0.0 4.2 

assign (resid 604 and name HA) (resid 540 and name HD#) 1.8 0.0 4.2


!!! --------20110728added
assign (resid 604 and name HG#) (resid 601 and name HG) 1.8 0.0 3.2
 
assign (resid 604 and name HG#) (resid 575 and name HB#) 1.8 0.0 3.2 

assign (resid 604 and name HG#) (resid 601 and name HB#) 1.8 0.0 3.2
 
assign (resid 604 and name HG#) (resid 575 and name HD#) 1.8 0.0 3.2
 
assign (resid 604 and name HG#) (resid 601 and name HN) 1.8 0.0 3.2 



!R605


!intra

assign (resid 605 and name HN) (resid 605 and name HD#) 1.8 0.0 4.2

assign (resid 605 and name HN) (resid 605 and name HA) 1.8 0.0 1.1 

assign (resid 605 and name HN) (resid 605 and name HB#) 1.8 0.0 1.1 


!inter


assign (resid 605 and name HN) (resid 604 and name HB) 1.8 0.0 1.7 

assign (resid 605 and name HN) (resid 604 and name HN) 1.8 0.0 1.7 

!assign (resid 605 and name HN) (resid 602 and name HA) 1.8 0.0 1.7
 
assign (resid 605 and name HN) (resid 603 and name HA) 1.8 0.0 4.2 

assign (resid 605 and name HN) (resid 604 and name HA) 1.8 0.0 1.7
 
assign (resid 605 and name HN) (resid 604 and name HG1#) 1.8 0.0 4.2 
assign (resid 605 and name HN) (resid 604 and name HG2#) 1.8 0.0 4.2 

assign (resid 605 and name HN) (resid 606 and name HN) 1.8 0.0 1.7 




!D606


!intra


assign (resid 606 and name HN) (resid 606 and name HB#) 1.8 0.0 1.1 

assign (resid 606 and name HA) (resid 606 and name HN) 1.8 0.0 1.1







!inter

assign (resid 606 and name HN) (resid 604 and name HA) 1.8 0.0 4.2

assign (resid 606 and name HN) (resid 602 and name HA) 1.8 0.0 4.2

assign (resid 606 and name HN) (resid 605 and name HB#) 1.8 0.0 1.1 

assign (resid 606 and name HB#) (resid 607 and name HN) 1.8 0.0 1.1

assign (resid 606 and name HN) (resid 603 and name HA) 1.8 0.0 1.7 

assign (resid 606 and name HN) (resid 605 and name HA) 1.8 0.0 1.7
 
!assign (resid 606 and name HN) (resid 605 and name HN) 1.8 0.0 1.7

assign (resid 606 and name HN) (resid 607 and name HN) 1.8 0.0 1.7 

assign (resid 606 and name HB#) (resid 603 and name HA) 1.8 0.0 1.7 !new_0724










!S607

!intra

assign (resid 607 and name HN) (resid 607 and name HA) 1.8 0.0 1.1 

assign (resid 607 and name HN) (resid 607 and name HB#) 1.8 0.0 1.1 



!inter

assign (resid 607 and name HN) (resid 608 and name HN) 1.8 0.0 1.7 

assign (resid 607 and name HN) (resid 604 and name HA) 1.8 0.0 3.2 

assign (resid 607 and name HN) (resid 604 and name HG2#) 1.8 0.0 3.2 

assign (resid 607 and name HN) (resid 605 and name HA) 1.8 0.0 3.2 

assign (resid 607 and name HN) (resid 605 and name HB#) 1.8 0.0 3.2 





!S608


!intra


assign (resid 608 and name HN) (resid 608 and name HB#) 1.8 0.0 1.1 




!inter

assign (resid 608 and name HN) (resid 609 and name HA1) 1.8 0.0 4.2 
assign (resid 608 and name HN) (resid 609 and name HA2) 1.8 0.0 4.2 

assign (resid 608 and name HN) (resid 607 and name HA) 1.8 0.0 1.7 

assign (resid 608 and name HN) (resid 609 and name HN) 1.8 0.0 1.7 





!G609


!intra

assign (resid 609 and name HN) (resid 609 and name HA#) 1.8 0.0 1.1 

assign (resid 609 and name HA1) (resid 609 and name HN) 1.8 0.0 1.7

!inter

assign (resid 609 and name HN) (resid 610 and name HN) 1.8 0.0 1.7 





!G610


!intra

assign (resid 610 and name HN) (resid 610 and name HA#) 1.8 0.0 1.1 



!inter


assign (resid 610 and name HN) (resid 609 and name HA1) 1.8 0.0 4.2 
assign (resid 610 and name HN) (resid 609 and name HA2) 1.8 0.0 4.2

assign (resid 610 and name HN) (resid 607 and name HA) 1.8 0.0 4.2




























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