*HEADER    DNA BINDING PROTEIN                     24-JUN-13   2MA1              
*TITLE     SOLUTION STRUCTURE OF HRDC1 DOMAIN OF RECQ HELICASE FROM DEINOCOCCUS  
*TITLE    2 RADIODURANS                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA HELICASE RECQ;                                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 536-610;                                      
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS;                        
*SOURCE   3 ORGANISM_TAXID: 243230;                                              
*SOURCE   4 STRAIN: ATCC 13939 / DSM 20539 / JCM 16871 / LMG 4051 / NBRC 15346 / 
*SOURCE   5 NCIMB 9279 / R1 / VKM B-1422;                                        
*SOURCE   6 GENE: DRRECQ, DR_1289;                                               
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET28A                                     
*KEYWDS    DNA BINDING DOMAIN, DNA BINDING PROTEIN                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    S.LIU, W.ZHANG, Z.GAO, Q.MING, H.HOU, W.LAN, H.WU, C.CAO, Y.DONG      
*REVDAT   1   10-JUL-13 2MA1    0                                                


REMARK TALOS Results for HRDC1.seq



!E 542
!assign (resid   542 and name hn) (resid   538 and name o) 2.0 0.4 0.5
!assign (resid   542 and name  n) (resid   538 and name o) 3.0 0.8 0.5

!A 543
!assign (resid   543 and name hn) (resid   539 and name o) 2.0 0.4 0.5
!assign (resid   543 and name  n) (resid   539 and name o) 3.0 0.8 0.5

!L 544
assign (resid   544 and name hn) (resid   540 and name o) 2.0 0.4 0.5
assign (resid   544 and name  n) (resid   540 and name o) 3.0 0.8 0.5

!R 545
assign (resid   545 and name hn) (resid   541 and name o) 2.0 0.4 0.5
assign (resid   545 and name  n) (resid   541 and name o) 3.0 0.8 0.5

!A 546
assign (resid   546 and name hn) (resid   542 and name o) 2.0 0.4 0.5
assign (resid   546 and name  n) (resid   542 and name o) 3.0 0.8 0.5

!W 547
assign (resid   547 and name hn) (resid   543 and name o) 2.0 0.4 0.5
assign (resid   547 and name  n) (resid   543 and name o) 3.0 0.8 0.5

!R 548
assign (resid   548 and name hn) (resid   544 and name o) 2.0 0.4 0.5
assign (resid   548 and name  n) (resid   544 and name o) 3.0 0.8 0.5

!L 549
assign (resid   549 and name hn) (resid   545 and name o) 2.0 0.4 0.5
assign (resid   549 and name  n) (resid   545 and name o) 3.0 0.8 0.5

!Q 550
assign (resid   550 and name hn) (resid   546 and name o) 2.0 0.4 0.5
assign (resid   550 and name  n) (resid   546 and name o) 3.0 0.8 0.5

!K 551
assign (resid   551 and name hn) (resid   547 and name o) 2.0 0.4 0.5
assign (resid   551 and name  n) (resid   547 and name o) 3.0 0.8 0.5

!A 552
assign (resid   552 and name hn) (resid   548 and name o) 2.0 0.4 0.5
assign (resid   552 and name  n) (resid   548 and name o) 3.0 0.8 0.5

!K 553
assign (resid   553 and name hn) (resid   549 and name o) 2.0 0.4 0.5
assign (resid   553 and name  n) (resid   549 and name o) 3.0 0.8 0.5

!E 554
assign (resid   554 and name hn) (resid   550 and name o) 2.0 0.4 0.5
assign (resid   554 and name  n) (resid   550 and name o) 3.0 0.8 0.5

!L 555
assign (resid   555 and name hn) (resid   551 and name o) 2.0 0.4 0.5
assign (resid   555 and name  n) (resid   551 and name o) 3.0 0.8 0.5



! T561
assign (resid   561 and name hn) (resid   558 and name o) 2.0 0.4 0.5
assign (resid   561 and name  n) (resid   558 and name o) 3.0 0.8 0.5


!I 562
assign (resid   562 and name hn) (resid   559 and name o) 2.0 0.4 0.5
assign (resid   562 and name  n) (resid   559 and name o) 3.0 0.8 0.5






!K 569
assign (resid   569 and name hn) (resid   565 and name o) 2.0 0.4 0.5
assign (resid   569 and name  n) (resid   565 and name o) 3.0 0.8 0.5

!T 570
assign (resid   570 and name hn) (resid   566 and name o) 2.0 0.4 0.5
assign (resid   570 and name  n) (resid   566 and name o) 3.0 0.8 0.5

!I 571
assign (resid   571 and name hn) (resid   567 and name o) 2.0 0.4 0.5
assign (resid   571 and name  n) (resid   567 and name o) 3.0 0.8 0.5

!A 572
assign (resid   572 and name hn) (resid   568 and name o) 2.0 0.4 0.5
assign (resid   572 and name  n) (resid   568 and name o) 3.0 0.8 0.5

!E 573
assign (resid   573 and name hn) (resid   569 and name o) 2.0 0.4 0.5
assign (resid   573 and name  n) (resid   569 and name o) 3.0 0.8 0.5








!L 582
assign (resid   582 and name hn) (resid   578 and name o) 2.0 0.4 0.5
assign (resid   582 and name  n) (resid   578 and name o) 3.0 0.8 0.5


!G 583
!assign (resid   583 and name hn) (resid   579 and name o) 2.0 0.4 0.5
!assign (resid   583 and name  n) (resid   579 and name o) 3.0 0.8 0.5


!T 584
!assign (resid   584 and name hn) (resid   580 and name o) 2.0 0.4 0.5
!assign (resid   584 and name  n) (resid   580 and name o) 3.0 0.8 0.5








!A 594
!assign (resid   594 and name hn) (resid   590 and name o) 2.0 0.4 0.5
!assign (resid   594 and name  n) (resid   590 and name o) 3.0 0.8 0.5


!A 595
assign (resid   595 and name hn) (resid   591 and name o) 2.0 0.4 0.5
assign (resid   595 and name  n) (resid   591 and name o) 3.0 0.8 0.5



!Y 596
! assign (resid   596 and name hn) (resid   592 and name o) 2.0 0.4 0.5
! assign (resid   596 and name  n) (resid   592 and name o) 3.0 0.8 0.5




!G 597
!assign (resid   597 and name hn) (resid   593 and name o) 2.0 0.4 0.5
!assign (resid   597 and name  n) (resid   593 and name o) 3.0 0.8 0.5




!D 598
!assign (resid   598 and name hn) (resid   594 and name o) 2.0 0.4 0.5
!assign (resid   598 and name  n) (resid   594 and name o) 3.0 0.8 0.5




!E 599
!assign (resid   599 and name hn) (resid   595 and name o) 2.0 0.4 0.5
!assign (resid   599 and name  n) (resid   595 and name o) 3.0 0.8 0.5





!V 600
!assign (resid   600 and name hn) (resid   596 and name o) 2.0 0.4 0.5
!assign (resid   600 and name  n) (resid   596 and name o) 3.0 0.8 0.5




!L 601
!assign (resid   601 and name hn) (resid   597 and name o) 2.0 0.4 0.5
!assign (resid   601 and name  n) (resid   597 and name o) 3.0 0.8 0.5



!Q 602
assign (resid   602 and name hn) (resid   598 and name o) 2.0 0.4 0.5
assign (resid   602 and name  n) (resid   598 and name o) 3.0 0.8 0.5

!V 603
assign (resid   603 and name hn) (resid   599 and name o) 2.0 0.4 0.5
assign (resid   603 and name  n) (resid   599 and name o) 3.0 0.8 0.5

!V 604
assign (resid   604 and name hn) (resid   600 and name o) 2.0 0.4 0.5
assign (resid   604 and name  n) (resid   600 and name o) 3.0 0.8 0.5

!R 605
assign (resid   605 and name hn) (resid   601 and name o) 2.0 0.4 0.5
assign (resid   605 and name  n) (resid   601 and name o) 3.0 0.8 0.5

!D 606
assign (resid   606 and name hn) (resid   602 and name o) 2.0 0.4 0.5
assign (resid   606 and name  n) (resid   602 and name o) 3.0 0.8 0.5


! Two angles Phi and Psi generated from rama.tcl (in talos)
! rama.tcl -in HRDC1_talos.tab


! A538
!assign  ( resid 537 and name c ) ( resid 538 and name n )                ! PHI
!        ( resid 538 and name ca) ( resid 538 and name c ) 1.0 -60 12 2   !

!assign  ( resid 538 and name n ) ( resid 538 and name ca )               ! PSI
!        ( resid 538 and name c)  ( resid 539 and name n ) 1.0 -47 10 2 


! P539 
assign  ( resid 538 and name c ) ( resid 539 and name n )
        ( resid 539 and name ca) ( resid 539 and name c ) 1.0 -58 6 2 

assign  ( resid 539 and name n ) ( resid 539 and name ca )
        ( resid 539 and name c)  ( resid 540 and name n ) 1.0 -36 8 2 


! L540
assign  ( resid 539 and name c ) ( resid 540 and name n )
        ( resid 540 and name ca) ( resid 540 and name c ) 1.0 -68 3 2 

assign  ( resid 540 and name n ) ( resid 540 and name ca )
        ( resid 540 and name c)  ( resid 541 and name n ) 1.0 -39 10 2 

! F541
assign  ( resid 540 and name c ) ( resid 541 and name n )
        ( resid 541 and name ca) ( resid 541 and name c ) 1.0 -64 8 2 

assign  ( resid 541 and name n ) ( resid 541 and name ca )
        ( resid 541 and name c)  ( resid 542 and name n ) 1.0 -38 7  2 

! E542
assign  ( resid 541 and name c ) ( resid 542 and name n )
        ( resid 542 and name ca) ( resid 542 and name c ) 1.0 -54 5  2 

assign  ( resid 542 and name n ) ( resid 542 and name ca )
        ( resid 542 and name c)  ( resid 543 and name n ) 1.0 -45 8  2 

! A543
assign  ( resid 542 and name c ) ( resid 543 and name n )
        ( resid 543 and name ca) ( resid 543 and name c ) 1.0 -65 9  2 

assign  ( resid 543 and name n ) ( resid 543 and name ca )
        ( resid 543 and name c)  ( resid 544 and name n ) 1.0 -42 6  2 

! L544
assign  ( resid 543 and name c ) ( resid 544 and name n )
        ( resid 544 and name ca) ( resid 544 and name c ) 1.0 -65 5  2 

assign  ( resid 544 and name n ) ( resid 544 and name ca )
        ( resid 544 and name c)  ( resid 545 and name n ) 1.0 -36 5  2 

! R545
assign  ( resid 544 and name c ) ( resid 545 and name n )
        ( resid 545 and name ca) ( resid 545 and name c ) 1.0 -64 7  2 

assign  ( resid 545 and name n ) ( resid 545 and name ca )
        ( resid 545 and name c)  ( resid 546 and name n ) 1.0 -39 6  2 

! A546
assign  ( resid 545 and name c ) ( resid 546 and name n )
        ( resid 546 and name ca) ( resid 546 and name c ) 1.0 -66 4  2 

assign  ( resid 546 and name n ) ( resid 546 and name ca )
        ( resid 546 and name c)  ( resid 547 and name n ) 1.0 -41 5  2 

! W547
assign  ( resid 546 and name c ) ( resid 547 and name n )
        ( resid 547 and name ca) ( resid 547 and name c ) 1.0 -69 8  2 

assign  ( resid 547 and name n ) ( resid 547 and name ca )
        ( resid 547 and name c)  ( resid 548 and name n ) 1.0 -38 8  2 

! R548
assign  ( resid 547 and name c ) ( resid 548 and name n )
        ( resid 548 and name ca) ( resid 548 and name c ) 1.0 -58 4  2 

assign  ( resid 548 and name n ) ( resid 548 and name ca )
        ( resid 548 and name c)  ( resid 549 and name n ) 1.0 -44 6  2 

! L549
assign  ( resid 548 and name c ) ( resid 549 and name n )
        ( resid 549 and name ca) ( resid 549 and name c ) 1.0 -62 6  2 

assign  ( resid 549 and name n ) ( resid 549 and name ca )
        ( resid 549 and name c)  ( resid 550 and name n ) 1.0 -39 6  2 



! Q550
assign  ( resid 549 and name c ) ( resid 550 and name n )
        ( resid 550 and name ca) ( resid 550 and name c ) 1.0 -61 5  2 

assign  ( resid 550 and name n ) ( resid 550 and name ca )
        ( resid 550 and name c)  ( resid 551 and name n ) 1.0 -43 4  2 




! K551
assign  ( resid 550 and name c ) ( resid 551 and name n )
        ( resid 551 and name ca) ( resid 551 and name c ) 1.0 -67 6  2 

assign  ( resid 551 and name n ) ( resid 551 and name ca )
        ( resid 551 and name c)  ( resid 552 and name n ) 1.0 -40 5  2 



! A552
assign  ( resid 551 and name c ) ( resid 552 and name n )
        ( resid 552 and name ca) ( resid 552 and name c ) 1.0 -62 8  2 

assign  ( resid 552 and name n ) ( resid 552 and name ca )
        ( resid 552 and name c)  ( resid 553 and name n ) 1.0 -43 5  2 


! K553
assign  ( resid 552 and name c ) ( resid 553 and name n )
        ( resid 553 and name ca) ( resid 553 and name c ) 1.0 -61 6  2 

assign  ( resid 553 and name n ) ( resid 553 and name ca )
        ( resid 553 and name c)  ( resid 554 and name n ) 1.0 -43 9  2 


! E554
assign  ( resid 553 and name c ) ( resid 554 and name n )
        ( resid 554 and name ca) ( resid 554 and name c ) 1.0 -63 6  2 

assign  ( resid 554 and name n ) ( resid 554 and name ca )
        ( resid 554 and name c)  ( resid 555 and name n ) 1.0 -31 11  2 



! L555
assign  ( resid 554 and name c ) ( resid 555 and name n )
        ( resid 555 and name ca) ( resid 555 and name c ) 1.0 -89 16  2 

assign  ( resid 555 and name n ) ( resid 555 and name ca )
        ( resid 555 and name c)  ( resid 556 and name n ) 1.0 -13 22  2 



! P559
assign  ( resid 558 and name c ) ( resid 559 and name n )
        ( resid 559 and name ca) ( resid 559 and name c ) 1.0 -70 5  2 

assign  ( resid 559 and name n ) ( resid 559 and name ca )
        ( resid 559 and name c)  ( resid 560 and name n ) 1.0 -37 15  2 


! Y560
assign  ( resid 559 and name c ) ( resid 560 and name n )
        ( resid 560 and name ca) ( resid 560 and name c ) 1.0 -77 20  2 

assign  ( resid 560 and name n ) ( resid 560 and name ca )
        ( resid 560 and name c)  ( resid 561 and name n ) 1.0 -8 22  2 


! D565
assign  ( resid 564 and name c ) ( resid 565 and name n )
        ( resid 565 and name ca) ( resid 565 and name c ) 1.0 -59 4  2 

assign  ( resid 565 and name n ) ( resid 565 and name ca )
        ( resid 565 and name c)  ( resid 566 and name n ) 1.0 -38 9  2 



! A566
assign  ( resid 565 and name c ) ( resid 566 and name n )
        ( resid 566 and name ca) ( resid 566 and name c ) 1.0 -73 3  2 

assign  ( resid 566 and name n ) ( resid 566 and name ca )
        ( resid 566 and name c)  ( resid 567 and name n ) 1.0 -39 7  2 


! T567
assign  ( resid 566 and name c ) ( resid 567 and name n )
        ( resid 567 and name ca) ( resid 567 and name c ) 1.0 -65 5  2 

assign  ( resid 567 and name n ) ( resid 567 and name ca )
        ( resid 567 and name c)  ( resid 568 and name n ) 1.0 -42 12  2 


! L568
assign  ( resid 567 and name c ) ( resid 568 and name n )
        ( resid 568 and name ca) ( resid 568 and name c ) 1.0 -63 5  2 

assign  ( resid 568 and name n ) ( resid 568 and name ca )
        ( resid 568 and name c)  ( resid 569 and name n ) 1.0 -40 3  2 


! K569
assign  ( resid 568 and name c ) ( resid 569 and name n )
        ( resid 569 and name ca) ( resid 569 and name c ) 1.0 -68 3  2 

assign  ( resid 569 and name n ) ( resid 569 and name ca )
        ( resid 569 and name c)  ( resid 570 and name n ) 1.0 -42 6  2 


! T570
assign  ( resid 569 and name c ) ( resid 570 and name n )
        ( resid 570 and name ca) ( resid 570 and name c ) 1.0 -64  7  2 

assign  ( resid 570 and name n ) ( resid 570 and name ca )
        ( resid 570 and name c)  ( resid 571 and name n ) 1.0 -42  6  2 


! I571
assign  ( resid 570 and name c ) ( resid 571 and name n )
        ( resid 571 and name ca) ( resid 571 and name c ) 1.0 -66 4  2 

assign  ( resid 571 and name n ) ( resid 571 and name ca )
        ( resid 571 and name c)  ( resid 572 and name n ) 1.0 -40 5  2 


! A572
assign  ( resid 571 and name c ) ( resid 572 and name n )
        ( resid 572 and name ca) ( resid 572 and name c ) 1.0 -60 4  2 

assign  ( resid 572 and name n ) ( resid 572 and name ca )
        ( resid 572 and name c)  ( resid 573 and name n ) 1.0 -37 13  2 






! E573
assign  ( resid 572 and name c ) ( resid 573 and name n )
        ( resid 573 and name ca) ( resid 573 and name c ) 1.0 -69 10  2 

assign  ( resid 573 and name n ) ( resid 573 and name ca )
        ( resid 573 and name c)  ( resid 574 and name n ) 1.0 -46 7  2 



! S578
assign  ( resid 577 and name c ) ( resid 578 and name n )
        ( resid 578 and name ca) ( resid 578 and name c ) 1.0 -94 25  2 

assign  ( resid 578 and name n ) ( resid 578 and name ca )
        ( resid 578 and name c)  ( resid 579 and name n ) 1.0 149 12  2 





! H579
assign  ( resid 578 and name c ) ( resid 579 and name n )
        ( resid 579 and name ca) ( resid 579 and name c ) 1.0 -66 3  2 

assign  ( resid 579 and name n ) ( resid 579 and name ca )
        ( resid 579 and name c)  ( resid 580 and name n ) 1.0 -36 4  2 


! A580
assign  ( resid 579 and name c ) ( resid 580 and name n )
        ( resid 580 and name ca) ( resid 580 and name c ) 1.0 -61 8  2 

assign  ( resid 580 and name n ) ( resid 580 and name ca )
        ( resid 580 and name c)  ( resid 581 and name n ) 1.0 -40 4  2 


! T581
assign  ( resid 580 and name c ) ( resid 581 and name n )
        ( resid 581 and name ca) ( resid 581 and name c ) 1.0 -67 7  2 

assign  ( resid 581 and name n ) ( resid 581 and name ca )
        ( resid 581 and name c)  ( resid 582 and name n ) 1.0 -35 5  2 




! L582
assign  ( resid 581 and name c ) ( resid 582 and name n )
        ( resid 582 and name ca) ( resid 582 and name c ) 1.0 -54 4  2 

assign  ( resid 582 and name n ) ( resid 582 and name ca )
        ( resid 582 and name c)  ( resid 583 and name n ) 1.0 -34 10  2 



! R591
assign  ( resid 590 and name c ) ( resid 591 and name n )
        ( resid 591 and name ca) ( resid 591 and name c ) 1.0 -64 7  2 

assign  ( resid 591 and name n ) ( resid 591 and name ca )
        ( resid 591 and name c)  ( resid 592 and name n ) 1.0 -37 6  2 


! K592
assign  ( resid 591 and name c ) ( resid 592 and name n )
        ( resid 592 and name ca) ( resid 592 and name c ) 1.0 -62 4  2 

assign  ( resid 592 and name n ) ( resid 592 and name ca )
        ( resid 592 and name c)  ( resid 593 and name n ) 1.0 -36 5  2 


! L593
assign  ( resid 592 and name c ) ( resid 593 and name n )
        ( resid 593 and name ca) ( resid 593 and name c ) 1.0 -64 7  2 

assign  ( resid 593 and name n ) ( resid 593 and name ca )
        ( resid 593 and name c)  ( resid 594 and name n ) 1.0 -40 6  2 


! A594
assign  ( resid 593 and name c ) ( resid 594 and name n )
        ( resid 594 and name ca) ( resid 594 and name c ) 1.0 -66 12  2 

assign  ( resid 594 and name n ) ( resid 594 and name ca )
        ( resid 594 and name c)  ( resid 595 and name n ) 1.0 -40 6  2 



! A595
assign  ( resid 594 and name c ) ( resid 595 and name n )
        ( resid 595 and name ca) ( resid 595 and name c ) 1.0 -66 11  2 

assign  ( resid 595 and name n ) ( resid 595 and name ca )
        ( resid 595 and name c)  ( resid 596 and name n ) 1.0 -38 13  2 




! D598
assign  ( resid 597 and name c ) ( resid 598 and name n )
        ( resid 598 and name ca) ( resid 598 and name c ) 1.0 -64 7  2 

assign  ( resid 598 and name n ) ( resid 598 and name ca )
        ( resid 598 and name c)  ( resid 599 and name n ) 1.0 -38 11  2 






! E599
assign  ( resid 598 and name c ) ( resid 599 and name n )
        ( resid 599 and name ca) ( resid 599 and name c ) 1.0 -67 8  2 

assign  ( resid 599 and name n ) ( resid 599 and name ca )
        ( resid 599 and name c)  ( resid 600 and name n ) 1.0 -42 10  2 





! V600
assign  ( resid 599 and name c ) ( resid 600 and name n )
        ( resid 600 and name ca) ( resid 600 and name c ) 1.0 -64 4  2 

assign  ( resid 600 and name n ) ( resid 600 and name ca )
        ( resid 600 and name c)  ( resid 601 and name n ) 1.0 -40 4  2 



! L601
assign  ( resid 600 and name c ) ( resid 601 and name n )
        ( resid 601 and name ca) ( resid 601 and name c ) 1.0 -57 5  2 

assign  ( resid 601 and name n ) ( resid 601 and name ca )
        ( resid 601 and name c)  ( resid 602 and name n ) 1.0 -39 8  2 


! Q602
assign  ( resid 601 and name c ) ( resid 602 and name n )
        ( resid 602 and name ca) ( resid 602 and name c ) 1.0 -68 6  2 

assign  ( resid 602 and name n ) ( resid 602 and name ca )
        ( resid 602 and name c)  ( resid 603 and name n ) 1.0 -43 7  2 




! V603
assign  ( resid 602 and name c ) ( resid 603 and name n )
        ( resid 603 and name ca) ( resid 603 and name c ) 1.0 -64 7  2 

assign  ( resid 603 and name n ) ( resid 603 and name ca )
        ( resid 603 and name c)  ( resid 604 and name n ) 1.0 -45 6  2 




! V604
assign  ( resid 603 and name c ) ( resid 604 and name n )
        ( resid 604 and name ca) ( resid 604 and name c ) 1.0 -61 4  2 

assign  ( resid 604 and name n ) ( resid 604 and name ca )
        ( resid 604 and name c)  ( resid 605 and name n ) 1.0 -43 5  2 




! R605
assign  ( resid 604 and name c ) ( resid 605 and name n )
        ( resid 605 and name ca) ( resid 605 and name c ) 1.0 -66 4  2 

assign  ( resid 605 and name n ) ( resid 605 and name ca )
        ( resid 605 and name c)  ( resid 606 and name n ) 1.0 -44 6  2 



! D606
assign  ( resid 605 and name c ) ( resid 606 and name n )
        ( resid 606 and name ca) ( resid 606 and name c ) 1.0 -66 6  2 

assign  ( resid 606 and name n ) ( resid 606 and name ca )
        ( resid 606 and name c)  ( resid 607 and name n ) 1.0 -31 18  2 





! 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


























  Entry H atom name         Submitted Coord H atom name
    1    H1   HIS 536           HT1      HIS 536 159.798  24.518   4.097
    2    H2   HIS 536           HT2      HIS 536 158.895  24.297   5.519
    3    H3   HIS 536           HT3      HIS 536 160.258  25.311   5.524
    4    HA   HIS 536           HA       HIS 536 158.946  27.025   5.096
    5    HB2  HIS 536           HB2      HIS 536 158.230  25.487   2.580
    6    HB3  HIS 536           HB1      HIS 536 158.060  27.226   2.821
    7    HD1  HIS 536           HD1      HIS 536 160.472  28.434   3.541
    8    HD2  HIS 536           HD2      HIS 536 160.667  24.822   1.463
    9    HE1  HIS 536           HE1      HIS 536 162.810  28.288   2.573
   10    HE2  HIS 536           HE2      HIS 536 162.939  26.094   1.307
   11    H    ASP 537           HN       ASP 537 157.031  27.568   6.023
   12    HA   ASP 537           HA       ASP 537 154.958  25.479   6.304
   13    HB2  ASP 537           HB2      ASP 537 155.237  28.248   7.508
   14    HB3  ASP 537           HB1      ASP 537 153.897  27.152   7.846
   15    H    ALA 538           HN       ALA 538 155.657  27.533   3.916
   16    HA   ALA 538           HA       ALA 538 153.411  29.127   3.410
   17    HB1  ALA 538           HB1      ALA 538 154.575  29.505   1.527
   18    HB2  ALA 538           HB2      ALA 538 154.162  27.892   0.944
   19    HB3  ALA 538           HB3      ALA 538 155.623  28.137   1.902
   20    HA   PRO 539           HA       PRO 539 151.431  25.155   1.248
   21    HB2  PRO 539           HB2      PRO 539 152.526  23.135   3.142
   22    HB3  PRO 539           HB1      PRO 539 152.246  23.009   1.396
   23    HG2  PRO 539           HG2      PRO 539 154.699  23.275   2.408
   24    HG3  PRO 539           HG1      PRO 539 154.235  24.012   0.865
   25    HD2  PRO 539           HD2      PRO 539 154.653  25.308   3.520
   26    HD3  PRO 539           HD1      PRO 539 154.931  25.956   1.890
   27    H    LEU 540           HN       LEU 540 152.024  25.588   4.684
   28    HA   LEU 540           HA       LEU 540 149.662  24.310   5.670
   29    HB2  LEU 540           HB2      LEU 540 151.595  25.027   7.091
   30    HB3  LEU 540           HB1      LEU 540 151.103  26.703   6.849
   31    HG   LEU 540           HG       LEU 540 148.842  26.092   7.792
   32   HD11  LEU 540          HD11      LEU 540 148.610  23.782   7.628
   33   HD12  LEU 540          HD12      LEU 540 149.097  23.947   9.315
   34   HD13  LEU 540          HD13      LEU 540 150.282  23.476   8.098
   35   HD21  LEU 540          HD21      LEU 540 150.095  25.526  10.168
   36   HD22  LEU 540          HD22      LEU 540 149.944  27.144   9.482
   37   HD23  LEU 540          HD23      LEU 540 151.418  26.210   9.223
   38    H    PHE 541           HN       PHE 541 150.274  27.578   4.457
   39    HA   PHE 541           HA       PHE 541 147.835  28.786   5.238
   40    HB2  PHE 541           HB2      PHE 541 149.748  30.009   4.188
   41    HB3  PHE 541           HB1      PHE 541 149.321  29.275   2.640
   42    HD1  PHE 541           HD1      PHE 541 148.175  31.577   5.309
   43    HD2  PHE 541           HD2      PHE 541 147.390  30.003   1.390
   44    HE1  PHE 541           HE1      PHE 541 146.449  33.323   4.954
   45    HE2  PHE 541           HE2      PHE 541 145.664  31.750   1.034
   46    HZ   PHE 541           HZ       PHE 541 145.190  33.409   2.817
   47    H    GLU 542           HN       GLU 542 148.554  26.580   2.578
   48    HA   GLU 542           HA       GLU 542 146.259  26.935   0.996
   49    HB2  GLU 542           HB2      GLU 542 147.671  24.345   1.707
   50    HB3  GLU 542           HB1      GLU 542 146.518  24.531   0.385
   51    HG2  GLU 542           HG2      GLU 542 147.976  26.275  -0.616
   52    HG3  GLU 542           HG1      GLU 542 149.147  26.014   0.678
   53    H    ALA 543           HN       ALA 543 146.632  25.144   4.035
   54    HA   ALA 543           HA       ALA 543 143.955  24.052   4.020
   55    HB1  ALA 543           HB1      ALA 543 145.817  23.179   5.455
   56    HB2  ALA 543           HB2      ALA 543 144.359  23.551   6.376
   57    HB3  ALA 543           HB3      ALA 543 145.730  24.661   6.407
   58    H    LEU 544           HN       LEU 544 145.440  26.912   5.550
   59    HA   LEU 544           HA       LEU 544 143.047  27.903   6.760
   60    HB2  LEU 544           HB2      LEU 544 145.392  29.505   5.712
   61    HB3  LEU 544           HB1      LEU 544 144.243  30.003   6.950
   62    HG   LEU 544           HG       LEU 544 146.286  27.780   7.133
   63   HD11  LEU 544          HD11      LEU 544 146.926  29.156   9.163
   64   HD12  LEU 544          HD12      LEU 544 145.808  30.388   8.577
   65   HD13  LEU 544          HD13      LEU 544 147.211  29.938   7.608
   66   HD21  LEU 544          HD21      LEU 544 143.871  28.415   8.829
   67   HD22  LEU 544          HD22      LEU 544 145.295  27.659   9.542
   68   HD23  LEU 544          HD23      LEU 544 144.423  26.845   8.243
   69    H    ARG 545           HN       ARG 545 144.471  28.281   3.559
   70    HA   ARG 545           HA       ARG 545 142.815  30.345   2.560
   71    HB2  ARG 545           HB2      ARG 545 144.791  29.390   1.359
   72    HB3  ARG 545           HB1      ARG 545 143.845  27.938   1.027
   73    HG2  ARG 545           HG2      ARG 545 142.159  29.326  -0.153
   74    HG3  ARG 545           HG1      ARG 545 143.154  30.754   0.135
   75    HD2  ARG 545           HD2      ARG 545 145.024  29.648  -1.099
   76    HD3  ARG 545           HD1      ARG 545 143.942  28.305  -1.470
   77    HE   ARG 545           HE       ARG 545 142.548  30.494  -2.392
   78   HH11  ARG 545          HH21      ARG 545 145.755  29.287  -2.764
   79   HH12  ARG 545          HH22      ARG 545 145.953  29.924  -4.362
   80   HH21  ARG 545          HH11      ARG 545 142.787  31.334  -4.478
   81   HH22  ARG 545          HH12      ARG 545 144.272  31.083  -5.333
   82    H    ALA 546           HN       ALA 546 142.240  26.878   2.924
   83    HA   ALA 546           HA       ALA 546 139.811  26.753   1.422
   84    HB1  ALA 546           HB1      ALA 546 139.386  24.682   2.579
   85    HB2  ALA 546           HB2      ALA 546 140.440  25.148   3.915
   86    HB3  ALA 546           HB3      ALA 546 141.129  24.779   2.333
   87    H    TRP 547           HN       TRP 547 140.417  27.360   4.878
   88    HA   TRP 547           HA       TRP 547 137.651  27.782   5.553
   89    HB2  TRP 547           HB2      TRP 547 139.497  27.365   7.221
   90    HB3  TRP 547           HB1      TRP 547 140.071  29.005   6.912
   91    HD1  TRP 547           HD1      TRP 547 139.164  30.721   8.535
   92    HE1  TRP 547           HE1      TRP 547 137.032  30.981   9.961
   93    HE3  TRP 547           HE3      TRP 547 136.658  26.489   7.158
   94    HZ2  TRP 547           HZ2      TRP 547 134.586  29.581  10.451
   95    HZ3  TRP 547           HZ3      TRP 547 134.431  25.978   8.116
   96    HH2  TRP 547           HH2      TRP 547 133.392  27.517   9.759
   97    H    ARG 548           HN       ARG 548 140.236  29.880   4.399
   98    HA   ARG 548           HA       ARG 548 139.034  32.399   4.786
   99    HB2  ARG 548           HB2      ARG 548 141.369  31.984   3.957
  100    HB3  ARG 548           HB1      ARG 548 140.685  31.562   2.387
  101    HG2  ARG 548           HG2      ARG 548 139.650  33.798   2.235
  102    HG3  ARG 548           HG1      ARG 548 140.341  34.220   3.802
  103    HD2  ARG 548           HD2      ARG 548 141.803  35.116   2.103
  104    HD3  ARG 548           HD1      ARG 548 142.621  33.738   2.838
  105    HE   ARG 548           HE       ARG 548 141.330  32.598   0.696
  106   HH11  ARG 548          HH21      ARG 548 143.355  35.353   1.145
  107   HH12  ARG 548          HH22      ARG 548 144.039  35.275  -0.444
  108   HH21  ARG 548          HH11      ARG 548 142.213  32.481  -1.383
  109   HH22  ARG 548          HH12      ARG 548 143.392  33.650  -1.875
  110    H    LEU 549           HN       LEU 549 138.617  30.097   2.098
  111    HA   LEU 549           HA       LEU 549 136.935  31.788   0.518
  112    HB2  LEU 549           HB2      LEU 549 136.951  28.759   0.699
  113    HB3  LEU 549           HB1      LEU 549 136.218  29.705  -0.596
  114    HG   LEU 549           HG       LEU 549 139.161  29.680   0.136
  115   HD11  LEU 549          HD11      LEU 549 137.649  28.602  -2.263
  116   HD12  LEU 549          HD12      LEU 549 138.444  27.639  -1.018
  117   HD13  LEU 549          HD13      LEU 549 139.406  28.639  -2.107
  118   HD21  LEU 549          HD21      LEU 549 139.114  30.920  -2.217
  119   HD22  LEU 549          HD22      LEU 549 138.879  31.820  -0.718
  120   HD23  LEU 549          HD23      LEU 549 137.487  31.357  -1.697
  121    H    GLN 550           HN       GLN 550 136.175  29.393   3.038
  122    HA   GLN 550           HA       GLN 550 133.318  29.701   2.829
  123    HB2  GLN 550           HB2      GLN 550 135.049  28.797   5.154
  124    HB3  GLN 550           HB1      GLN 550 133.291  28.655   5.099
  125    HG2  GLN 550           HG2      GLN 550 133.446  27.233   3.104
  126    HG3  GLN 550           HG1      GLN 550 135.202  27.401   3.105
  127   HE21  GLN 550          HE21      GLN 550 133.992  24.826   3.340
  128   HE22  GLN 550          HE22      GLN 550 134.292  24.227   4.900
  129    H    LYS 551           HN       LYS 551 135.830  31.233   4.770
  130    HA   LYS 551           HA       LYS 551 134.139  32.818   6.423
  131    HB2  LYS 551           HB2      LYS 551 136.592  32.459   6.778
  132    HB3  LYS 551           HB1      LYS 551 136.905  33.517   5.401
  133    HG2  LYS 551           HG2      LYS 551 135.665  35.333   6.539
  134    HG3  LYS 551           HG1      LYS 551 135.431  34.278   7.932
  135    HD2  LYS 551           HD2      LYS 551 137.919  34.060   8.121
  136    HD3  LYS 551           HD1      LYS 551 138.082  35.247   6.827
  137    HE2  LYS 551           HE2      LYS 551 136.731  36.849   8.219
  138    HE3  LYS 551           HE1      LYS 551 136.792  35.676   9.535
  139    HZ1  LYS 551           HZ1      LYS 551 138.729  37.558   8.799
  140    HZ2  LYS 551           HZ2      LYS 551 139.383  36.011   8.543
  141    HZ3  LYS 551           HZ3      LYS 551 138.781  36.440  10.073
  142    H    ALA 552           HN       ALA 552 135.496  33.381   3.205
  143    HA   ALA 552           HA       ALA 552 134.698  36.107   2.944
  144    HB1  ALA 552           HB1      ALA 552 135.870  34.109   1.288
  145    HB2  ALA 552           HB2      ALA 552 135.774  35.844   0.987
  146    HB3  ALA 552           HB3      ALA 552 134.492  34.776   0.413
  147    H    LYS 553           HN       LYS 553 132.967  33.078   2.315
  148    HA   LYS 553           HA       LYS 553 130.703  34.186   1.011
  149    HB2  LYS 553           HB2      LYS 553 131.180  31.736   1.234
  150    HB3  LYS 553           HB1      LYS 553 130.714  31.842   2.933
  151    HG2  LYS 553           HG2      LYS 553 128.480  32.686   2.247
  152    HG3  LYS 553           HG1      LYS 553 128.947  32.496   0.556
  153    HD2  LYS 553           HD2      LYS 553 129.371  30.065   1.006
  154    HD3  LYS 553           HD1      LYS 553 128.722  30.297   2.630
  155    HE2  LYS 553           HE2      LYS 553 126.757  31.438   1.106
  156    HE3  LYS 553           HE1      LYS 553 127.307  30.142   0.044
  157    HZ1  LYS 553           HZ1      LYS 553 125.520  29.504   1.634
  158    HZ2  LYS 553           HZ2      LYS 553 126.627  29.739   2.902
  159    HZ3  LYS 553           HZ3      LYS 553 126.915  28.544   1.729
  160    H    GLU 554           HN       GLU 554 131.376  33.734   4.469
  161    HA   GLU 554           HA       GLU 554 128.837  34.742   5.370
  162    HB2  GLU 554           HB2      GLU 554 130.423  33.410   6.782
  163    HB3  GLU 554           HB1      GLU 554 131.489  34.815   6.836
  164    HG2  GLU 554           HG2      GLU 554 129.625  36.148   7.820
  165    HG3  GLU 554           HG1      GLU 554 128.636  34.688   7.855
  166    H    LEU 555           HN       LEU 555 131.991  36.280   4.820
  167    HA   LEU 555           HA       LEU 555 131.109  38.897   5.695
  168    HB2  LEU 555           HB2      LEU 555 133.438  38.157   3.896
  169    HB3  LEU 555           HB1      LEU 555 133.216  39.697   4.726
  170    HG   LEU 555           HG       LEU 555 133.578  36.990   6.044
  171   HD11  LEU 555          HD11      LEU 555 135.489  38.818   6.950
  172   HD12  LEU 555          HD12      LEU 555 135.391  39.114   5.214
  173   HD13  LEU 555          HD13      LEU 555 135.765  37.498   5.814
  174   HD21  LEU 555          HD21      LEU 555 132.763  39.688   7.064
  175   HD22  LEU 555          HD22      LEU 555 133.800  38.684   8.078
  176   HD23  LEU 555          HD23      LEU 555 132.218  38.090   7.573
  177    H    SER 556           HN       SER 556 131.116  37.165   2.641
  178    HA   SER 556           HA       SER 556 129.822  37.638   0.719
  179    HB2  SER 556           HB2      SER 556 128.483  39.091   2.531
  180    HB3  SER 556           HB1      SER 556 129.191  40.414   1.609
  181    HG   SER 556           HG       SER 556 128.377  38.852  -0.222
  182    H    LEU 557           HN       LEU 557 132.658  38.720   1.563
  183    HA   LEU 557           HA       LEU 557 132.946  40.496  -0.827
  184    HB2  LEU 557           HB2      LEU 557 135.004  40.726   1.291
  185    HB3  LEU 557           HB1      LEU 557 134.238  41.986   0.328
  186    HG   LEU 557           HG       LEU 557 132.890  40.545   2.633
  187   HD11  LEU 557          HD11      LEU 557 133.212  42.683   3.841
  188   HD12  LEU 557          HD12      LEU 557 134.156  43.294   2.483
  189   HD13  LEU 557          HD13      LEU 557 134.751  41.929   3.427
  190   HD21  LEU 557          HD21      LEU 557 131.985  43.185   1.604
  191   HD22  LEU 557          HD22      LEU 557 131.032  41.823   2.188
  192   HD23  LEU 557          HD23      LEU 557 131.685  41.803   0.552
  193    HA   PRO 558           HA       PRO 558 136.112  37.845  -2.361
  194    HB2  PRO 558           HB2      PRO 558 138.300  39.805  -2.201
  195    HB3  PRO 558           HB1      PRO 558 137.543  39.080  -3.629
  196    HG2  PRO 558           HG2      PRO 558 137.188  41.659  -2.936
  197    HG3  PRO 558           HG1      PRO 558 135.957  40.706  -3.780
  198    HD2  PRO 558           HD2      PRO 558 136.078  41.500  -0.898
  199    HD3  PRO 558           HD1      PRO 558 134.668  41.325  -1.965
  200    HA   PRO 559           HA       PRO 559 138.303  36.094   1.073
  201    HB2  PRO 559           HB2      PRO 559 140.219  34.627  -0.272
  202    HB3  PRO 559           HB1      PRO 559 138.539  34.110  -0.041
  203    HG2  PRO 559           HG2      PRO 559 139.838  35.322  -2.420
  204    HG3  PRO 559           HG1      PRO 559 138.578  34.080  -2.326
  205    HD2  PRO 559           HD2      PRO 559 138.037  36.681  -2.958
  206    HD3  PRO 559           HD1      PRO 559 136.872  35.631  -2.120
  207    H    TYR 560           HN       TYR 560 140.435  37.355  -1.493
  208    HA   TYR 560           HA       TYR 560 142.722  37.689   0.202
  209    HB2  TYR 560           HB2      TYR 560 143.647  39.032  -1.566
  210    HB3  TYR 560           HB1      TYR 560 142.718  37.746  -2.336
  211    HD1  TYR 560           HD1      TYR 560 142.701  41.338  -1.405
  212    HD2  TYR 560           HD2      TYR 560 140.726  38.217  -3.596
  213    HE1  TYR 560           HE1      TYR 560 141.317  43.033  -2.569
  214    HE2  TYR 560           HE2      TYR 560 139.339  39.913  -4.759
  215    HH   TYR 560           HH       TYR 560 138.956  42.077  -5.064
  216    H    THR 561           HN       THR 561 139.855  39.590  -0.328
  217    HA   THR 561           HA       THR 561 140.841  42.067   0.761
  218    HB   THR 561           HB       THR 561 137.995  41.019   0.744
  219    HG1  THR 561           HG1      THR 561 139.671  41.738  -1.236
  220   HG21  THR 561          HG21      THR 561 137.456  43.458   0.703
  221   HG22  THR 561          HG22      THR 561 139.171  43.807   0.920
  222   HG23  THR 561          HG23      THR 561 138.276  42.963   2.184
  223    H    ILE 562           HN       ILE 562 139.500  39.142   2.166
  224    HA   ILE 562           HA       ILE 562 138.865  40.065   4.752
  225    HB   ILE 562           HB       ILE 562 140.107  37.402   3.997
  226   HG12  ILE 562          HG12      ILE 562 137.180  38.168   4.157
  227   HG13  ILE 562          HG11      ILE 562 138.083  38.066   2.652
  228   HG21  ILE 562          HG21      ILE 562 139.730  36.805   6.127
  229   HG22  ILE 562          HG22      ILE 562 138.072  37.396   6.039
  230   HG23  ILE 562          HG23      ILE 562 139.377  38.496   6.479
  231   HD11  ILE 562          HD11      ILE 562 137.528  35.827   4.606
  232   HD12  ILE 562          HD12      ILE 562 138.689  35.690   3.286
  233   HD13  ILE 562          HD13      ILE 562 136.980  35.950   2.934
  234    H    PHE 563           HN       PHE 563 141.970  39.040   3.382
  235    HA   PHE 563           HA       PHE 563 143.308  40.101   5.843
  236    HB2  PHE 563           HB2      PHE 563 144.209  37.865   4.004
  237    HB3  PHE 563           HB1      PHE 563 145.103  38.460   5.405
  238    HD1  PHE 563           HD2      PHE 563 143.685  38.550   7.662
  239    HD2  PHE 563           HD1      PHE 563 142.789  36.042   4.292
  240    HE1  PHE 563           HE2      PHE 563 142.367  37.047   9.132
  241    HE2  PHE 563           HE1      PHE 563 141.472  34.539   5.761
  242    HZ   PHE 563           HZ       PHE 563 141.261  35.037   8.180
  243    H    HIS 564           HN       HIS 564 145.367  41.182   5.462
  244    HA   HIS 564           HA       HIS 564 145.375  42.671   2.939
  245    HB2  HIS 564           HB2      HIS 564 145.962  43.774   5.088
  246    HB3  HIS 564           HB1      HIS 564 147.377  42.728   5.218
  247    HD1  HIS 564           HD1      HIS 564 149.457  43.508   4.054
  248    HD2  HIS 564           HD2      HIS 564 146.057  45.446   2.617
  249    HE1  HIS 564           HE1      HIS 564 150.269  45.264   2.413
  250    HE2  HIS 564           HE2      HIS 564 148.207  46.454   1.540
  251    H    ASP 565           HN       ASP 565 147.142  42.644   1.415
  252    HA   ASP 565           HA       ASP 565 148.081  40.077   0.713
  253    HB2  ASP 565           HB2      ASP 565 149.189  42.812   0.026
  254    HB3  ASP 565           HB1      ASP 565 149.715  41.315  -0.747
  255    H    ALA 566           HN       ALA 566 149.797  42.675   2.485
  256    HA   ALA 566           HA       ALA 566 152.206  41.109   2.801
  257    HB1  ALA 566           HB1      ALA 566 152.336  42.889   4.854
  258    HB2  ALA 566           HB2      ALA 566 151.175  43.697   3.801
  259    HB3  ALA 566           HB3      ALA 566 152.777  43.284   3.193
  260    H    THR 567           HN       THR 567 149.399  41.738   4.875
  261    HA   THR 567           HA       THR 567 150.324  40.325   7.158
  262    HB   THR 567           HB       THR 567 147.474  40.655   6.184
  263    HG1  THR 567           HG1      THR 567 147.517  42.566   7.262
  264   HG21  THR 567          HG21      THR 567 146.989  40.517   8.633
  265   HG22  THR 567          HG22      THR 567 148.681  40.095   8.897
  266   HG23  THR 567          HG23      THR 567 147.641  39.024   7.959
  267    H    LEU 568           HN       LEU 568 148.537  39.237   4.295
  268    HA   LEU 568           HA       LEU 568 147.956  36.610   5.151
  269    HB2  LEU 568           HB2      LEU 568 147.092  37.703   3.073
  270    HB3  LEU 568           HB1      LEU 568 148.682  37.489   2.344
  271    HG   LEU 568           HG       LEU 568 147.502  35.054   3.553
  272   HD11  LEU 568          HD11      LEU 568 146.212  34.803   1.280
  273   HD12  LEU 568          HD12      LEU 568 146.242  36.567   1.282
  274   HD13  LEU 568          HD13      LEU 568 145.464  35.697   2.603
  275   HD21  LEU 568          HD21      LEU 568 148.513  35.364   0.742
  276   HD22  LEU 568          HD22      LEU 568 148.694  34.001   1.846
  277   HD23  LEU 568          HD23      LEU 568 149.663  35.456   2.075
  278    H    LYS 569           HN       LYS 569 150.885  37.921   3.632
  279    HA   LYS 569           HA       LYS 569 152.239  35.417   3.330
  280    HB2  LYS 569           HB2      LYS 569 153.372  38.195   3.780
  281    HB3  LYS 569           HB1      LYS 569 154.283  36.804   3.196
  282    HG2  LYS 569           HG2      LYS 569 152.707  36.630   1.271
  283    HG3  LYS 569           HG1      LYS 569 151.920  38.105   1.830
  284    HD2  LYS 569           HD2      LYS 569 154.115  39.291   1.653
  285    HD3  LYS 569           HD1      LYS 569 154.812  37.825   0.963
  286    HE2  LYS 569           HE2      LYS 569 153.508  37.975  -0.990
  287    HE3  LYS 569           HE1      LYS 569 152.338  39.058  -0.235
  288    HZ1  LYS 569           HZ1      LYS 569 154.828  40.285  -0.079
  289    HZ2  LYS 569           HZ2      LYS 569 153.493  40.755  -1.019
  290    HZ3  LYS 569           HZ3      LYS 569 154.669  39.714  -1.668
  291    H    THR 570           HN       THR 570 152.061  37.748   5.977
  292    HA   THR 570           HA       THR 570 154.014  36.589   7.673
  293    HB   THR 570           HB       THR 570 151.472  38.073   8.374
  294    HG1  THR 570           HG1      THR 570 153.458  39.644   8.648
  295   HG21  THR 570          HG21      THR 570 152.764  38.659  10.442
  296   HG22  THR 570          HG22      THR 570 153.988  37.490   9.947
  297   HG23  THR 570          HG23      THR 570 152.352  36.949  10.322
  298    H    ILE 571           HN       ILE 571 150.581  35.865   7.222
  299    HA   ILE 571           HA       ILE 571 150.273  34.105   9.426
  300    HB   ILE 571           HB       ILE 571 148.925  34.034   6.713
  301   HG12  ILE 571          HG12      ILE 571 148.064  35.335   9.318
  302   HG13  ILE 571          HG11      ILE 571 148.740  36.205   7.942
  303   HG21  ILE 571          HG21      ILE 571 147.239  33.168   8.809
  304   HG22  ILE 571          HG22      ILE 571 148.774  32.325   9.018
  305   HG23  ILE 571          HG23      ILE 571 147.899  32.200   7.492
  306   HD11  ILE 571          HD11      ILE 571 146.777  34.809   6.695
  307   HD12  ILE 571          HD12      ILE 571 146.542  36.427   7.354
  308   HD13  ILE 571          HD13      ILE 571 146.046  35.015   8.286
  309    H    ALA 572           HN       ALA 572 151.342  33.492   6.086
  310    HA   ALA 572           HA       ALA 572 151.528  30.648   6.350
  311    HB1  ALA 572           HB1      ALA 572 153.416  31.148   4.495
  312    HB2  ALA 572           HB2      ALA 572 152.578  32.700   4.470
  313    HB3  ALA 572           HB3      ALA 572 151.692  31.213   4.130
  314    H    GLU 573           HN       GLU 573 153.888  33.238   6.907
  315    HA   GLU 573           HA       GLU 573 156.101  31.519   7.495
  316    HB2  GLU 573           HB2      GLU 573 155.496  34.350   8.392
  317    HB3  GLU 573           HB1      GLU 573 157.051  33.547   8.599
  318    HG2  GLU 573           HG2      GLU 573 157.190  33.220   6.141
  319    HG3  GLU 573           HG1      GLU 573 155.669  34.095   5.958
  320    H    LEU 574           HN       LEU 574 153.557  32.925   9.512
  321    HA   LEU 574           HA       LEU 574 154.691  31.575  11.896
  322    HB2  LEU 574           HB2      LEU 574 152.330  33.460  11.656
  323    HB3  LEU 574           HB1      LEU 574 153.063  32.904  13.159
  324    HG   LEU 574           HG       LEU 574 154.410  34.582  11.025
  325   HD11  LEU 574          HD11      LEU 574 152.953  35.963  12.319
  326   HD12  LEU 574          HD12      LEU 574 154.557  36.185  13.018
  327   HD13  LEU 574          HD13      LEU 574 153.384  35.137  13.817
  328   HD21  LEU 574          HD21      LEU 574 156.139  34.666  13.040
  329   HD22  LEU 574          HD22      LEU 574 156.190  33.347  11.871
  330   HD23  LEU 574          HD23      LEU 574 155.413  33.108  13.436
  331    H    ARG 575           HN       ARG 575 153.619  29.869  12.917
  332    HA   ARG 575           HA       ARG 575 150.954  29.098  11.874
  333    HB2  ARG 575           HB2      ARG 575 151.740  26.713  11.697
  334    HB3  ARG 575           HB1      ARG 575 152.455  27.795  10.502
  335    HG2  ARG 575           HG2      ARG 575 154.541  27.745  11.494
  336    HG3  ARG 575           HG1      ARG 575 153.884  27.456  13.104
  337    HD2  ARG 575           HD2      ARG 575 153.425  25.315  11.091
  338    HD3  ARG 575           HD1      ARG 575 155.084  25.521  11.654
  339    HE   ARG 575           HE       ARG 575 152.836  24.543  13.254
  340   HH11  ARG 575          HH21      ARG 575 155.940  26.040  13.168
  341   HH12  ARG 575          HH22      ARG 575 156.367  25.554  14.774
  342   HH21  ARG 575          HH11      ARG 575 153.375  23.899  15.353
  343   HH22  ARG 575          HH12      ARG 575 154.914  24.341  16.012
  344    HA   PRO 576           HA       PRO 576 152.017  28.526  16.553
  345    HB2  PRO 576           HB2      PRO 576 150.177  30.483  17.353
  346    HB3  PRO 576           HB1      PRO 576 151.937  30.683  17.295
  347    HG2  PRO 576           HG2      PRO 576 149.868  31.569  15.368
  348    HG3  PRO 576           HG1      PRO 576 151.407  32.327  15.809
  349    HD2  PRO 576           HD2      PRO 576 151.079  31.000  13.463
  350    HD3  PRO 576           HD1      PRO 576 152.632  31.023  14.329
  351    H    GLY 577           HN       GLY 577 149.171  28.943  14.563
  352    HA2  GLY 577           HA2      GLY 577 147.459  27.230  14.451
  353    HA3  GLY 577           HA1      GLY 577 147.837  26.790  16.113
  354    H    SER 578           HN       SER 578 147.846  29.611  17.021
  355    HA   SER 578           HA       SER 578 144.894  30.014  17.031
  356    HB2  SER 578           HB2      SER 578 145.966  29.552  19.232
  357    HB3  SER 578           HB1      SER 578 146.951  30.997  19.023
  358    HG   SER 578           HG       SER 578 144.115  30.981  18.923
  359    H    HIS 579           HN       HIS 579 144.054  31.943  16.347
  360    HA   HIS 579           HA       HIS 579 145.664  33.711  14.771
  361    HB2  HIS 579           HB2      HIS 579 142.891  34.078  15.938
  362    HB3  HIS 579           HB1      HIS 579 143.620  35.151  14.743
  363    HD1  HIS 579           HD1      HIS 579 141.094  33.676  13.915
  364    HD2  HIS 579           HD2      HIS 579 144.911  32.088  13.350
  365    HE1  HIS 579           HE1      HIS 579 140.893  31.963  12.057
  366    HE2  HIS 579           HE2      HIS 579 143.209  30.991  11.706
  367    H    ALA 580           HN       ALA 580 144.398  33.958  18.085
  368    HA   ALA 580           HA       ALA 580 145.263  36.644  18.556
  369    HB1  ALA 580           HB1      ALA 580 144.647  34.293  20.328
  370    HB2  ALA 580           HB2      ALA 580 143.792  35.829  20.189
  371    HB3  ALA 580           HB3      ALA 580 145.345  35.756  21.022
  372    H    THR 581           HN       THR 581 146.897  33.536  18.831
  373    HA   THR 581           HA       THR 581 149.282  34.571  20.069
  374    HB   THR 581           HB       THR 581 148.902  32.056  18.417
  375    HG1  THR 581           HG1      THR 581 148.436  31.092  20.352
  376   HG21  THR 581          HG21      THR 581 151.237  32.583  18.688
  377   HG22  THR 581          HG22      THR 581 150.842  31.280  19.809
  378   HG23  THR 581          HG23      THR 581 151.006  32.934  20.400
  379    H    LEU 582           HN       LEU 582 148.118  34.252  16.796
  380    HA   LEU 582           HA       LEU 582 150.476  34.451  15.308
  381    HB2  LEU 582           HB2      LEU 582 148.165  34.293  14.349
  382    HB3  LEU 582           HB1      LEU 582 147.903  35.977  14.787
  383    HG   LEU 582           HG       LEU 582 149.861  36.599  13.380
  384   HD11  LEU 582          HD11      LEU 582 150.366  34.661  11.645
  385   HD12  LEU 582          HD12      LEU 582 149.870  33.628  12.986
  386   HD13  LEU 582          HD13      LEU 582 151.229  34.734  13.180
  387   HD21  LEU 582          HD21      LEU 582 147.460  36.565  12.556
  388   HD22  LEU 582          HD22      LEU 582 147.807  34.991  11.839
  389   HD23  LEU 582          HD23      LEU 582 148.679  36.423  11.288
  390    H    GLY 583           HN       GLY 583 148.800  36.875  17.224
  391    HA2  GLY 583           HA2      GLY 583 149.596  38.940  18.033
  392    HA3  GLY 583           HA1      GLY 583 151.179  38.533  17.357
  393    H    THR 584           HN       THR 584 148.502  38.214  15.267
  394    HA   THR 584           HA       THR 584 149.016  40.897  14.069
  395    HB   THR 584           HB       THR 584 148.751  38.468  12.314
  396    HG1  THR 584           HG1      THR 584 150.543  38.356  13.911
  397   HG21  THR 584          HG21      THR 584 150.049  41.188  11.994
  398   HG22  THR 584          HG22      THR 584 148.511  40.683  11.294
  399   HG23  THR 584          HG23      THR 584 150.013  39.930  10.759
  400    H    VAL 585           HN       VAL 585 146.749  40.027  15.624
  401    HA   VAL 585           HA       VAL 585 144.640  39.625  13.575
  402    HB   VAL 585           HB       VAL 585 144.360  39.724  16.590
  403   HG11  VAL 585          HG11      VAL 585 142.564  38.421  14.535
  404   HG12  VAL 585          HG12      VAL 585 142.328  40.080  15.084
  405   HG13  VAL 585          HG13      VAL 585 142.211  38.746  16.232
  406   HG21  VAL 585          HG21      VAL 585 145.556  37.791  16.502
  407   HG22  VAL 585          HG22      VAL 585 145.337  37.622  14.760
  408   HG23  VAL 585          HG23      VAL 585 144.065  37.098  15.864
  409    H    SER 586           HN       SER 586 143.494  41.364  12.857
  410    HA   SER 586           HA       SER 586 142.882  43.603  14.634
  411    HB2  SER 586           HB2      SER 586 145.198  44.120  13.807
  412    HB3  SER 586           HB1      SER 586 144.561  44.122  12.165
  413    HG   SER 586           HG       SER 586 142.948  45.633  13.544
  414    H    GLY 587           HN       GLY 587 141.126  44.808  13.844
  415    HA2  GLY 587           HA2      GLY 587 139.298  45.319  12.456
  416    HA3  GLY 587           HA1      GLY 587 140.235  44.691  11.101
  417    H    VAL 588           HN       VAL 588 140.655  42.061  12.077
  418    HA   VAL 588           HA       VAL 588 138.127  40.850  11.348
  419    HB   VAL 588           HB       VAL 588 139.291  38.723  11.693
  420   HG11  VAL 588          HG11      VAL 588 140.522  40.969  10.196
  421   HG12  VAL 588          HG12      VAL 588 139.985  39.391   9.619
  422   HG13  VAL 588          HG13      VAL 588 141.545  39.551  10.426
  423   HG21  VAL 588          HG21      VAL 588 140.506  39.044  13.704
  424   HG22  VAL 588          HG22      VAL 588 141.278  40.510  13.099
  425   HG23  VAL 588          HG23      VAL 588 141.752  38.936  12.461
  426    H    GLY 589           HN       GLY 589 139.635  41.757  14.340
  427    HA2  GLY 589           HA2      GLY 589 138.307  39.946  16.106
  428    HA3  GLY 589           HA1      GLY 589 138.914  41.538  16.563
  429    H    GLY 590           HN       GLY 590 136.240  39.950  16.924
  430    HA2  GLY 590           HA2      GLY 590 134.458  41.932  17.455
  431    HA3  GLY 590           HA1      GLY 590 134.303  41.788  15.703
  432    H    ARG 591           HN       ARG 591 132.012  41.158  16.552
  433    HA   ARG 591           HA       ARG 591 131.527  38.693  17.855
  434    HB2  ARG 591           HB2      ARG 591 129.795  40.433  17.291
  435    HB3  ARG 591           HB1      ARG 591 129.858  39.869  15.622
  436    HG2  ARG 591           HG2      ARG 591 128.093  38.613  16.475
  437    HG3  ARG 591           HG1      ARG 591 129.443  37.508  16.691
  438    HD2  ARG 591           HD2      ARG 591 129.680  38.283  19.038
  439    HD3  ARG 591           HD1      ARG 591 128.301  39.356  18.810
  440    HE   ARG 591           HE       ARG 591 126.873  37.473  18.958
  441   HH11  ARG 591          HH21      ARG 591 130.183  36.606  18.530
  442   HH12  ARG 591          HH22      ARG 591 129.917  34.919  18.820
  443   HH21  ARG 591          HH11      ARG 591 126.507  35.276  19.339
  444   HH22  ARG 591          HH12      ARG 591 127.835  34.166  19.278
  445    H    LYS 592           HN       LYS 592 132.170  39.418  14.459
  446    HA   LYS 592           HA       LYS 592 131.655  36.840  13.387
  447    HB2  LYS 592           HB2      LYS 592 133.686  38.931  12.545
  448    HB3  LYS 592           HB1      LYS 592 133.221  37.535  11.575
  449    HG2  LYS 592           HG2      LYS 592 130.850  38.320  11.655
  450    HG3  LYS 592           HG1      LYS 592 131.397  39.768  12.501
  451    HD2  LYS 592           HD2      LYS 592 132.904  40.275  10.575
  452    HD3  LYS 592           HD1      LYS 592 132.224  38.889   9.721
  453    HE2  LYS 592           HE2      LYS 592 130.012  40.372  10.646
  454    HE3  LYS 592           HE1      LYS 592 131.143  41.557   9.992
  455    HZ1  LYS 592           HZ1      LYS 592 130.281  40.970   8.034
  456    HZ2  LYS 592           HZ2      LYS 592 129.614  39.527   8.634
  457    HZ3  LYS 592           HZ3      LYS 592 131.246  39.581   8.166
  458    H    LEU 593           HN       LEU 593 134.431  38.160  15.107
  459    HA   LEU 593           HA       LEU 593 136.338  36.152  14.540
  460    HB2  LEU 593           HB2      LEU 593 136.777  38.268  15.826
  461    HB3  LEU 593           HB1      LEU 593 135.933  37.552  17.197
  462    HG   LEU 593           HG       LEU 593 137.555  35.616  17.073
  463   HD11  LEU 593          HD11      LEU 593 138.839  35.494  15.223
  464   HD12  LEU 593          HD12      LEU 593 139.736  36.880  15.840
  465   HD13  LEU 593          HD13      LEU 593 138.388  37.126  14.731
  466   HD21  LEU 593          HD21      LEU 593 138.437  36.797  18.779
  467   HD22  LEU 593          HD22      LEU 593 137.961  38.319  18.027
  468   HD23  LEU 593          HD23      LEU 593 139.507  37.578  17.614
  469    H    ALA 594           HN       ALA 594 133.702  36.223  16.901
  470    HA   ALA 594           HA       ALA 594 134.386  33.777  18.228
  471    HB1  ALA 594           HB1      ALA 594 132.684  34.559  19.489
  472    HB2  ALA 594           HB2      ALA 594 131.581  33.976  18.242
  473    HB3  ALA 594           HB3      ALA 594 132.160  35.641  18.198
  474    H    ALA 595           HN       ALA 595 132.412  34.502  15.376
  475    HA   ALA 595           HA       ALA 595 131.579  31.758  14.960
  476    HB1  ALA 595           HB1      ALA 595 130.198  33.372  13.920
  477    HB2  ALA 595           HB2      ALA 595 131.113  32.679  12.582
  478    HB3  ALA 595           HB3      ALA 595 131.577  34.244  13.250
  479    H    TYR 596           HN       TYR 596 134.170  33.809  13.677
  480    HA   TYR 596           HA       TYR 596 135.382  31.379  12.438
  481    HB2  TYR 596           HB2      TYR 596 135.833  32.633  10.623
  482    HB3  TYR 596           HB1      TYR 596 134.802  33.878  11.316
  483    HD1  TYR 596           HD2      TYR 596 138.303  32.661  11.072
  484    HD2  TYR 596           HD1      TYR 596 135.713  35.872  12.269
  485    HE1  TYR 596           HE2      TYR 596 140.273  34.140  11.366
  486    HE2  TYR 596           HE1      TYR 596 137.681  37.351  12.563
  487    HH   TYR 596           HH       TYR 596 140.278  37.213  11.363
  488    H    GLY 597           HN       GLY 597 137.138  30.643  13.505
  489    HA2  GLY 597           HA2      GLY 597 139.470  31.772  14.206
  490    HA3  GLY 597           HA1      GLY 597 138.446  32.365  15.513
  491    H    ASP 598           HN       ASP 598 137.202  30.627  16.712
  492    HA   ASP 598           HA       ASP 598 138.950  28.666  17.768
  493    HB2  ASP 598           HB2      ASP 598 136.818  29.511  18.833
  494    HB3  ASP 598           HB1      ASP 598 135.928  28.476  17.717
  495    H    GLU 599           HN       GLU 599 136.507  28.431  15.212
  496    HA   GLU 599           HA       GLU 599 136.736  25.604  14.804
  497    HB2  GLU 599           HB2      GLU 599 135.913  27.812  12.893
  498    HB3  GLU 599           HB1      GLU 599 135.704  26.088  12.582
  499    HG2  GLU 599           HG2      GLU 599 134.322  25.902  14.636
  500    HG3  GLU 599           HG1      GLU 599 134.489  27.640  14.886
  501    H    VAL 600           HN       VAL 600 138.531  28.373  13.546
  502    HA   VAL 600           HA       VAL 600 139.952  27.018  11.487
  503    HB   VAL 600           HB       VAL 600 140.744  29.365  13.236
  504   HG11  VAL 600          HG11      VAL 600 142.798  29.045  12.366
  505   HG12  VAL 600          HG12      VAL 600 142.099  29.552  10.829
  506   HG13  VAL 600          HG13      VAL 600 142.210  27.838  11.225
  507   HG21  VAL 600          HG21      VAL 600 139.202  30.424  11.967
  508   HG22  VAL 600          HG22      VAL 600 138.990  29.010  10.935
  509   HG23  VAL 600          HG23      VAL 600 140.278  30.165  10.593
  510    H    LEU 601           HN       LEU 601 140.557  27.360  14.960
  511    HA   LEU 601           HA       LEU 601 143.152  26.230  15.077
  512    HB2  LEU 601           HB2      LEU 601 141.027  25.595  17.127
  513    HB3  LEU 601           HB1      LEU 601 142.750  25.865  17.377
  514    HG   LEU 601           HG       LEU 601 140.727  27.957  16.565
  515   HD11  LEU 601          HD11      LEU 601 140.513  27.399  18.909
  516   HD12  LEU 601          HD12      LEU 601 141.375  28.933  18.794
  517   HD13  LEU 601          HD13      LEU 601 142.263  27.446  19.124
  518   HD21  LEU 601          HD21      LEU 601 143.714  28.079  17.020
  519   HD22  LEU 601          HD22      LEU 601 142.682  29.506  16.922
  520   HD23  LEU 601          HD23      LEU 601 142.854  28.445  15.524
  521    H    GLN 602           HN       GLN 602 139.943  24.725  15.137
  522    HA   GLN 602           HA       GLN 602 140.844  22.016  15.361
  523    HB2  GLN 602           HB2      GLN 602 138.464  22.801  15.649
  524    HB3  GLN 602           HB1      GLN 602 138.373  22.990  13.897
  525    HG2  GLN 602           HG2      GLN 602 138.889  20.608  13.593
  526    HG3  GLN 602           HG1      GLN 602 139.031  20.404  15.339
  527   HE21  GLN 602          HE21      GLN 602 137.134  18.806  14.186
  528   HE22  GLN 602          HE22      GLN 602 135.569  19.393  14.483
  529    H    VAL 603           HN       VAL 603 140.292  24.125  12.575
  530    HA   VAL 603           HA       VAL 603 140.770  22.152  10.558
  531    HB   VAL 603           HB       VAL 603 140.962  25.166  10.610
  532   HG11  VAL 603          HG11      VAL 603 142.372  24.861   8.843
  533   HG12  VAL 603          HG12      VAL 603 140.862  24.577   7.979
  534   HG13  VAL 603          HG13      VAL 603 141.821  23.213   8.552
  535   HG21  VAL 603          HG21      VAL 603 138.953  24.914   9.124
  536   HG22  VAL 603          HG22      VAL 603 138.705  24.261  10.743
  537   HG23  VAL 603          HG23      VAL 603 139.025  23.172   9.393
  538    H    VAL 604           HN       VAL 604 142.901  24.436  12.253
  539    HA   VAL 604           HA       VAL 604 145.253  23.893  10.744
  540    HB   VAL 604           HB       VAL 604 144.870  24.798  13.607
  541   HG11  VAL 604          HG11      VAL 604 147.065  24.296  13.823
  542   HG12  VAL 604          HG12      VAL 604 147.341  25.682  12.769
  543   HG13  VAL 604          HG13      VAL 604 147.268  24.057  12.089
  544   HG21  VAL 604          HG21      VAL 604 144.583  26.059  11.052
  545   HG22  VAL 604          HG22      VAL 604 145.990  26.756  11.855
  546   HG23  VAL 604          HG23      VAL 604 144.416  26.786  12.650
  547    H    ARG 605           HN       ARG 605 143.953  22.395  13.701
  548    HA   ARG 605           HA       ARG 605 146.145  20.621  14.150
  549    HB2  ARG 605           HB2      ARG 605 143.198  20.289  14.795
  550    HB3  ARG 605           HB1      ARG 605 144.480  19.248  15.417
  551    HG2  ARG 605           HG2      ARG 605 145.579  21.269  16.401
  552    HG3  ARG 605           HG1      ARG 605 144.194  22.230  15.883
  553    HD2  ARG 605           HD2      ARG 605 144.121  19.876  17.793
  554    HD3  ARG 605           HD1      ARG 605 143.911  21.573  18.224
  555    HE   ARG 605           HE       ARG 605 142.007  20.590  16.220
  556   HH11  ARG 605          HH21      ARG 605 142.796  21.092  19.539
  557   HH12  ARG 605          HH22      ARG 605 141.147  21.099  20.068
  558   HH21  ARG 605          HH11      ARG 605 139.848  20.596  16.893
  559   HH22  ARG 605          HH12      ARG 605 139.478  20.818  18.570
  560    H    ASP 606           HN       ASP 606 143.260  20.371  12.121
  561    HA   ASP 606           HA       ASP 606 143.551  17.641  11.360
  562    HB2  ASP 606           HB2      ASP 606 141.564  19.130  10.871
  563    HB3  ASP 606           HB1      ASP 606 142.526  19.884   9.598
  564    H    SER 607           HN       SER 607 145.023  20.614  10.099
  565    HA   SER 607           HA       SER 607 146.265  19.436   7.806
  566    HB2  SER 607           HB2      SER 607 147.670  21.411   7.771
  567    HB3  SER 607           HB1      SER 607 146.047  21.903   8.246
  568    HG   SER 607           HG       SER 607 146.749  22.345  10.200
  569    H    SER 608           HN       SER 608 147.132  19.480  11.203
  570    HA   SER 608           HA       SER 608 149.881  18.737  10.928
  571    HB2  SER 608           HB2      SER 608 149.766  18.087  13.248
  572    HB3  SER 608           HB1      SER 608 148.748  19.511  13.054
  573    HG   SER 608           HG       SER 608 147.096  18.343  13.602
  574    H    GLY 609           HN       GLY 609 146.918  16.948  10.573
  575    HA2  GLY 609           HA2      GLY 609 146.806  14.827   9.435
  576    HA3  GLY 609           HA1      GLY 609 148.508  14.560   9.820
  577    H    GLY 610           HN       GLY 610 146.943  15.762  12.523
  578    HA2  GLY 610           HA2      GLY 610 145.427  13.874  13.743
  579    HA3  GLY 610           HA1      GLY 610 147.017  13.112  13.806