*HEADER    COMPLEX (DNA-BINDING PROTEIN/DNA)       31-DEC-96   1YUI      
*TITLE     SOLUTION NMR STRUCTURE OF THE GAGA FACTOR/DNA COMPLEX,        
*TITLE    2 REGULARIZED MEAN STRUCTURE                                   
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: GAGA-FACTOR;                                       
*COMPND   3 CHAIN: A;                                                    
*COMPND   4 FRAGMENT: DNA BINDING DOMAIN, RESIDUES 310 - 372;            
*COMPND   5 MOL_ID: 2;                                                   
*COMPND   6 MOLECULE: DEOXYRIBONUCLEIC ACID;                             
*COMPND   7 CHAIN: B;                                                    
*COMPND   8 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER;                
*SOURCE   3 MOL_ID: 2;                                                   
*SOURCE   4 SYNTHETIC: YES                                               
*KEYWDS    COMPLEX (DNA-BINDING PROTEIN/DNA), CHROMATIN REMODELING       
*EXPDTA    NMR, REGULARIZED MEAN STRUCTURE                               
*AUTHOR    G.M.CLORE,J.G.OMICHINSKI,A.M.GRONENBORN                       
*REVDAT   1   12-OCT-04 1YUI    0   

A. NOEs

!P10

assign (resid 10 and name HA) (resid 10 and name HB#) 2.5 0.7 0.2
assign (resid 10 and name HA) (resid 10 and name HG#) 4.0 2.2 1.0
assign (resid 10 and name HA) (resid 10 and name HD#) 4.0 2.2 1.0
 
assign (resid 10 and name HA) (resid 11 and name HN) 3.0 1.2 0.5
assign (resid 10 and name HB1) (resid 11 and name HN) 3.0 1.2 0.5
assign (resid 10 and name HB2) (resid 11 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HD#) (resid 11 and name HN) 4.0 2.2 1.0


!K11

assign (resid 11 and name HN) (resid 11 and name HA) 3.0 1.2 0.5
assign (resid 11 and name HN) (resid 11 and name HB#) 2.5 0.7 0.4
assign (resid 11 and name HN) (resid 11 and name HG#) 2.5 0.7 0.4
assign (resid 11 and name HA) (resid 11 and name HB#) 2.5 0.7 0.2
assign (resid 11 and name HA) (resid 11 and name HE#) 4.0 2.2 1.0

assign (resid 11 and name HB#) (resid 12 and name HN) 4.0 2.2 1.0
assign (resid 11 and name HG#) (resid 12 and name HN) 4.0 2.2 2.0

!A12

assign (resid 12 and name HN) (resid 12 and name HA) 2.5 0.7 0.4
assign (resid 12 and name HN) (resid 12 and name HB#) 2.5 0.7 0.9
assign (resid 12 and name HA) (resid 12 and name HB#) 2.5 0.7 0.7
 
assign (resid 12 and name HB#) (resid 13 and name HN) 2.5 0.7 0.9

!K13

assign (resid 13 and name HN) (resid 13 and name HA) 2.5 0.7 0.4
assign (resid 13 and name HN) (resid 13 and name HB#) 3.0 1.2 0.5
assign (resid 13 and name HN) (resid 13 and name HG#) 4.0 2.2 1.0

assign (resid 13 and name HN) (resid 14 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HA) (resid 14 and name HN) 4.0 2.2 1.0

!R14

assign (resid 14 and name HN) (resid 14 and name HA) 2.5 0.7 0.4
assign (resid 14 and name HN) (resid 14 and name HB#) 2.5 0.7 0.4
assign (resid 14 and name HN) (resid 14 and name HG#) 4.0 2.2 1.0
assign (resid 14 and name HN) (resid 14 and name HD#) 4.0 2.2 2.0
assign (resid 14 and name HA) (resid 14 and name HB#) 2.5 0.7 0.2
assign (resid 14 and name HA) (resid 14 and name HG#) 3.0 1.2 0.3
assign (resid 14 and name HA) (resid 14 and name HD#) 4.0 2.2 1.0

assign (resid 14 and name HN) (resid 15 and name HN) 4.0 2.2 1.0
assign (resid 14 and name HB#) (resid 15 and name HN) 3.0 1.2 0.5
assign (resid 14 and name HG#) (resid 15 and name HN) 4.0 2.2 1.0
assign (resid 14 and name HD#) (resid 15 and name HN) 4.0 2.2 2.0

!A15

assign (resid 15 and name HN) (resid 15 and name HA) 2.5 0.7 0.4
assign (resid 15 and name HN) (resid 15 and name HB#) 2.5 0.7 0.9
assign (resid 15 and name HA) (resid 15 and name HB#) 2.5 0.7 0.7

assign (resid 15 and name HN) (resid 16 and name HN) 4.0 2.2 1.0
assign (resid 15 and name HB#) (resid 16 and name HN) 2.5 0.7 0.9

!K16

assign (resid 16 and name HN) (resid 16 and name HA) 2.5 0.7 0.4
assign (resid 16 and name HN) (resid 16 and name HB#) 3.0 1.2 0.5
assign (resid 16 and name HN) (resid 16 and name HG#) 3.0 1.2 0.5

assign (resid 16 and name HN) (resid 17 and name HN) 3.0 1.2 0.7
assign (resid 16 and name HA) (resid 17 and name HN) 3.0 1.2 0.5
assign (resid 16 and name HB#) (resid 17 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HG#) (resid 17 and name HN) 4.0 2.2 1.0


!H17

assign (resid 17 and name HN) (resid 17 and name HA) 3.0 1.2 0.5 
assign (resid 17 and name HN) (resid 17 and name HB#) 2.5 0.7 0.4
assign (resid 17 and name HA) (resid 17 and name HB#) 2.5 0.7 0.2
assign (resid 17 and name HA) (resid 17 and name HD#) 4.0 2.2 1.0
assign (resid 17 and name HB#) (resid 17 and name HD#) 3.0 1.2 0.3
assign (resid 17 and name HA) (resid 18 and name HB#) 4.0 2.2 2.0
assign (resid 17 and name HA) (resid 18 and name HG#) 4.0 2.2 2.0
assign (resid 17 and name HB#) (resid 18 and name HD#) 4.0 2.2 1.0

!P18

assign (resid 18 and name HA) (resid 18 and name HB1) 2.5 0.7 0.2
assign (resid 18 and name HA) (resid 18 and name HB2) 3.0 1.2 0.3
assign (resid 18 and name HA) (resid 18 and name HG#) 4.0 2.2 1.0
assign (resid 18 and name HB1) (resid 18 and name HD1) 4.0 2.2 1.0
assign (resid 18 and name HB2) (resid 18 and name HD1) 4.0 2.2 1.0
assign (resid 18 and name HB1) (resid 18 and name HD2) 4.0 2.2 1.0
assign (resid 18 and name HB2) (resid 18 and name HD2) 4.0 2.2 1.0
assign (resid 18 and name HA) (resid 19 and name HD1) 2.5 0.7 0.2
assign (resid 18 and name HA) (resid 19 and name HD2) 2.5 0.7 0.2

!P19

assign (resid 19 and name HA) (resid 19 and name HB#) 2.5 0.7 0.2
assign (resid 19 and name HA) (resid 19 and name HG#) 4.0 2.2 1.0
assign (resid 19 and name HA) (resid 19 and name HD#) 4.0 2.2 1.0
assign (resid 19 and name HA) (resid 20 and name HN) 3.0 1.2 0.5
assign (resid 19 and name HB1) (resid 20 and name HN) 3.0 1.2 0.5
assign (resid 19 and name HB2) (resid 20 and name HN) 3.0 1.2 0.5
assign (resid 19 and name HD#) (resid 20 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HA) (resid 21 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HB2) (resid 21 and name HN) 4.0 2.2 2.0

!G20

assign (resid 20 and name HN) (resid 20 and name HA#) 2.5 0.7 0.4

assign (resid 20 and name HN) (resid 21 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HA1) (resid 21 and name HN) 3.0 1.2 0.5
assign (resid 20 and name HA2) (resid 21 and name HN) 3.0 1.2 0.5


assign (resid 20 and name HA1) (resid 22 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HA2) (resid 22 and name HN) 4.0 2.2 1.0

!T21

assign (resid 21 and name HN) (resid 21 and name HA) 3.0 1.2 0.5
assign (resid 21 and name HN) (resid 21 and name HB) 4.0 2.2 1.0
assign (resid 21 and name HN) (resid 21 and name HG2#) 3.0 1.2 1.0
assign (resid 21 and name HA) (resid 21 and name HB) 3.0 1.2 0.3
assign (resid 21 and name HA) (resid 21 and name HG2#) 2.5 0.7 0.7

assign (resid 21 and name HN) (resid 22 and name HN) 4.0 1.5 1.0
assign (resid 21 and name HG2#) (resid 22 and name HN) 3.0 1.2 1.0

!E22

assign (resid 22 and name HN) (resid 22 and name HA) 4.0 2.2 1.0
assign (resid 22 and name HN) (resid 22 and name HB#) 2.5 0.7 0.4
assign (resid 22 and name HN) (resid 22 and name HG#) 3.0 1.2 0.5
assign (resid 22 and name HA) (resid 22 and name HB#) 2.5 0.7 0.2
assign (resid 22 and name HA) (resid 22 and name HG#) 3.0 1.2 0.3

assign (resid 22 and name HN) (resid 23 and name HN) 4.0 2.2 1.0
assign (resid 22 and name HA) (resid 23 and name HN) 3.0 1.2 0.5
assign (resid 22 and name HB#) (resid 23 and name HN) 4.0 2.2 1.0
assign (resid 22 and name HG#) (resid 23 and name HN) 4.0 2.2 1.0

!K23

assign (resid 23 and name HN) (resid 23 and name HA) 3.0 1.2 0.5 
assign (resid 23 and name HN) (resid 23 and name HB#) 2.5 0.7 0.4
assign (resid 23 and name HN) (resid 23 and name HG#) 4.0 2.2 1.0

assign (resid 23 and name HA) (resid 23 and name HB#) 2.5 0.7 0.2
assign (resid 23 and name HA) (resid 23 and name HG#) 4.0 2.2 1.0
assign (resid 23 and name HA) (resid 23 and name HD#) 4.0 2.2 1.0

assign (resid 23 and name HA) (resid 24 and name HD#) 3.0 1.2 0.3

assign (resid 23 and name HB#) (resid 24 and name HD#) 4.0 2.2 1.0
assign (resid 23 and name HG#) (resid 24 and name HD#) 4.0 2.2 1.0

!P24

assign (resid 24 and name HA) (resid 24 and name HB1) 2.5 0.7 0.2
assign (resid 24 and name HA) (resid 24 and name HB2) 3.0 1.2 0.3

assign (resid 24 and name HA) (resid 25 and name HN) 3.0 1.2 0.5
assign (resid 24 and name HB1) (resid 25 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HB2) (resid 25 and name HN) 4.0 2.2 2.0
assign (resid 24 and name HD1) (resid 25 and name HN) 4.0 2.2 2.0
assign (resid 24 and name HD2) (resid 25 and name HN) 4.0 2.2 2.0

!R25

assign (resid 25 and name HN) (resid 25 and name HA) 4.0 2.2 1.0
assign (resid 25 and name HN) (resid 25 and name HB#) 2.5 0.7 0.4
assign (resid 25 and name HN) (resid 25 and name HG#) 4.0 2.2 1.0
assign (resid 25 and name HA) (resid 25 and name HD#) 4.0 2.2 1.0
assign (resid 25 and name he) (resid 25 and name hb#) 4.0 0.5 1.0
assign (resid 25 and name he) (resid 25 and name hg#) 3.0 1.2 0.5

assign (resid 25 and name HN) (resid 26 and name HN) 4.0 2.2 1.0
assign (resid 25 and name HA) (resid 26 and name HN) 3.0 1.2 0.5
assign (resid 25 and name HB#) (resid 26 and name HN) 4.0 2.2 1.0
assign (resid 25 and name HG#) (resid 26 and name HN) 4.0 2.2 1.0

!S26

assign (resid 26 and name HN) (resid 26 and name HA) 4.0 2.2 1.0
assign (resid 26 and name HN) (resid 26 and name HB#) 3.0 1.2 0.5
assign (resid 26 and name HA) (resid 26 and name HB#) 2.5 0.7 0.2
assign (resid 26 and name HN) (resid 27 and name HN) 4.0 2.2 1.0
assign (resid 26 and name HA) (resid 27 and name HN) 3.0 1.2 0.5
assign (resid 26 and name HB#) (resid 27 and name HN) 4.0 2.2 1.0
assign (resid 26 and name hb#) (resid 28 and name hn) 4.0 2.2 2.0


assign (resid 26 and name ha) (resid 29 and name hb#) 4.0 2.2 1.0
assign (resid 26 and name ha) (resid 29 and name hg#) 4.0 2.2 1.0


!R27

assign (resid 27 and name HN) (resid 27 and name HA) 4.0 2.2 1.0
assign (resid 27 and name HN) (resid 27 and name HB#) 2.5 0.7 0.4
assign (resid 27 and name HN) (resid 27 and name HG#) 4.0 2.2 1.0
assign (resid 27 and name HA) (resid 27 and name HB#) 2.5 0.7 0.2
assign (resid 27 and name HA) (resid 27 and name HG#) 3.0 1.2 0.3
assign (resid 27 and name HA) (resid 27 and name HD#) 4.0 2.2 1.0

assign (resid 27 and name HN) (resid 28 and name HN) 3.0 1.2 0.5
assign (resid 27 and name HA) (resid 28 and name HN) 3.0 1.2 0.5
assign (resid 27 and name HB#) (resid 28 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HG#) (resid 28 and name HN) 4.0 2.2 2.0
assign (resid 27 and name ha) (resid 29 and name hn) 4.0 2.2 2.0

!S28

assign (resid 28 and name HN) (resid 28 and name HA) 4.0 2.2 1.0
assign (resid 28 and name HN) (resid 28 and name HB#) 3.0 1.2 0.5
assign (resid 28 and name HA) (resid 28 and name HB#) 2.5 0.7 0.2

assign (resid 28 and name HN) (resid 29 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HA) (resid 29 and name HN) 3.0 1.2 0.5
assign (resid 28 and name HB#) (resid 29 and name HN) 4.0 2.2 1.0
assign (resid 28 and name hb#) (resid 30 and name hn) 4.0 2.2 2.0
assign (resid 28 and name ha) (resid 31 and name hb#) 4.0 2.2 1.0
assign (resid 28 and name ha) (resid 31 and name hg#) 4.0 2.2 1.0
assign (resid 28 and name hb#) (resid 45 and name hg#) 4.0 2.2 1.0
assign (resid 28 and name ha) (resid 45 and name hg#) 4.0 2.2 2.0

!Q29

assign (resid 29 and name HN) (resid 29 and name HA) 3.0 1.2 0.5
assign (resid 29 and name HN) (resid 29 and name HB#) 2.5 0.7 0.4
assign (resid 29 and name HN) (resid 29 and name HG#) 4.0 2.2 1.0
assign (resid 29 and name HA) (resid 29 and name HB#) 2.5 0.7 0.2
assign (resid 29 and name HA) (resid 29 and name HG#) 3.0 1.2 0.3
assign (resid 29 and name ha) (resid 30 and name hn) 4.0 2.2 2.0
assign (resid 29 and name ha) (resid 31 and name hn) 4.0 2.2 1.0
assign (resid 29 and name hn) (resid 31 and name hn) 4.0 2.2 2.0

assign (resid 29 and name HN) (resid 30 and name HN) 4.0 2.2 1.0
assign (resid 29 and name HB#) (resid 30 and name HN) 4.0 2.2 1.0
assign (resid 29 and name HG#) (resid 30 and name HN) 4.0 2.2 1.0

!S30

assign (resid 30 and name HN) (resid 30 and name HA) 4.0 2.2 1.0
assign (resid 30 and name HN) (resid 30 and name HB#) 3.0 1.2 0.5
assign (resid 30 and name HA) (resid 30 and name HB#) 2.5 0.7 0.2

assign (resid 30 and name HN) (resid 31 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HA) (resid 31 and name HN) 4.0 2.2 2.0
assign (resid 30 and name HB#) (resid 31 and name HN) 4.0 2.2 2.0
 
!E31

assign (resid 31 and name HN) (resid 31 and name HA) 4.0 2.2 1.0
assign (resid 31 and name HN) (resid 31 and name HB#) 3.0 1.2 0.5
assign (resid 31 and name HN) (resid 31 and name HG#) 4.0 2.2 1.0
assign (resid 31 and name HA) (resid 31 and name HB#) 2.5 0.7 0.2
assign (resid 31 and name HA) (resid 31 and name HG#) 3.0 1.2 0.3

assign (resid 31 and name HN) (resid 32 and name HN) 4.0 2.2 1.0
assign (resid 31 and name HA) (resid 32 and name HN) 4.0 2.2 1.0

!Q32

assign (resid 32 and name HN) (resid 32 and name HA) 4.0 2.2 1.0
assign (resid 32 and name HN) (resid 32 and name HB#) 3.0 1.2 0.5
assign (resid 32 and name HN) (resid 32 and name HG#) 4.0 2.2 1.0
assign (resid 32 and name HA) (resid 32 and name HB#) 2.5 0.7 0.2
assign (resid 32 and name HA) (resid 32 and name HG#) 4.0 2.2 1.0


assign (resid 32 and name HA) (resid 33 and name HD#) 3.0 1.2 0.3
assign (resid 32 and name HB#) (resid 33 and name HD#) 4.0 2.2 1.0
assign (resid 32 and name HG#) (resid 33 and name HD#) 4.0 2.2 2.0
assign (resid 32 and name HN) (resid 46 and name HN) 4.0 2.2 1.0
assign (resid 32 and name HN) (resid 46 and name HB#) 4.0 2.2 2.0

!P33

assign (resid 33 and name HA) (resid 33 and name HB1) 2.5 0.7 0.2
assign (resid 33 and name HA) (resid 33 and name HB2) 4.0 2.2 1.0
assign (resid 33 and name HA) (resid 33 and name HB#) 2.5 0.7 0.2
assign (resid 33 and name HA) (resid 33 and name HG#) 4.0 2.2 1.0
assign (resid 33 and name HA) (resid 33 and name HD1) 4.0 2.2 1.0
assign (resid 33 and name HA) (resid 33 and name HD2) 4.0 2.2 1.0

assign (resid 33 and name HA) (resid 34 and name HN) 4.0 2.2 1.0
assign (resid 33 and name HB1) (resid 34 and name HN) 3.0 1.2 0.5
assign (resid 33 and name HB2) (resid 34 and name HN) 3.0 1.2 0.5
assign (resid 33 and name HB#) (resid 34 and name HN) 2.5 0.7 0.4
assign (resid 33 and name HG#) (resid 34 and name HN) 4.0 2.2 1.0
assign (resid 33 and name HD#) (resid 34 and name HN) 4.0 2.2 1.0

assign (resid 33 and name hb#) (resid 35 and name hn) 4.0 2.2 2.0

assign (resid 33 and name HA) (resid 44 and name HA) 2.5 0.7 0.2
assign (resid 33 and name HA) (resid 44 and name HB#) 4.0 2.2 1.0
assign (resid 33 and name HA) (resid 42 and name HG1#) 4.0 2.2 1.5

assign (resid 33 and name HB1) (resid 44 and name HA) 4.0 2.2 2.0
assign (resid 33 and name HB2) (resid 44 and name HA) 4.0 2.2 1.0
assign (resid 33 and name HB1) (resid 42 and name HG1#) 4.0 2.2 1.5
assign (resid 33 and name HB2) (resid 42 and name HG1#) 4.0 2.2 1.5
assign (resid 33 and name HG#) (resid 42 and name HG1#) 4.0 2.2 2.5


!A34

assign (resid 34 and name HN) (resid 34 and name HA) 4.0 2.2 1.0
assign (resid 34 and name HN) (resid 34 and name HB#) 2.5 0.7 0.9
assign (resid 34 and name HA) (resid 34 and name HB#) 2.5 0.7 0.7

assign (resid 34 and name HN) (resid 35 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HA) (resid 35 and name HN) 3.0 1.2 0.5
assign (resid 34 and name HB#) (resid 35 and name HN) 2.5 0.7 0.9

assign (resid 34 and name HN) (resid 42 and name HA) 4.0 2.2 1.0
assign (resid 34 and name HN) (resid 42 and name HG1#) 4.0 2.2 1.5
assign (resid 34 and name HN) (resid 42 and name HG2#) 4.0 2.2 2.5
assign (resid 34 and name HN) (resid 44 and name HA) 3.0 1.2 0.5
assign (resid 34 and name HN) (resid 44 and name HD#) 4.0 2.2 2.0
assign (resid 34 and name HN) (resid 46 and name HA) 4.0 2.2 2.0

assign (resid 34 and name HB#) (resid 35 and name HA) 4.0 2.2 2.5
assign (resid 34 and name HA) (resid 46 and name HA) 4.0 2.2 1.0
assign (resid 34 and name HB#) (resid 46 and name HA) 3.0 1.2 0.3
assign (resid 34 and name HA) (resid 46 and name HB#) 4.0 2.2 2.0

assign (resid 34 and name HB#) (resid 46 and name HB#) 3.0 1.2 0.8

assign (resid 34 and name HA) (resid 49 and name HD#) 4.0 2.2 1.5

assign (resid 34 and name HB#) (resid 49 and name HD#) 2.5 0.7 1.2
assign (resid 34 and name HB#) (resid 49 and name HB#) 3.0 1.2 0.8
assign (resid 34 and name HB#) (resid 49 and name HG) 4.0 2.2 1.5

!T35

assign (resid 35 and name HN) (resid 35 and name HA) 4.0 2.2 1.0
assign (resid 35 and name HN) (resid 35 and name HB) 2.5 0.7 0.4
assign (resid 35 and name HN) (resid 35 and name HG2#) 3.0 1.2 0.8
assign (resid 35 and name HA) (resid 35 and name HB) 3.0 1.2 0.3
assign (resid 35 and name HA) (resid 35 and name HG2#) 3.0 1.2 0.8

assign (resid 35 and name HN) (resid 36 and name HN) 4.0 2.2 1.0
assign (resid 35 and name HA) (resid 36 and name HN) 4.0 2.2 1.0
assign (resid 35 and name HB) (resid 36 and name HN) 4.0 2.2 1.0
assign (resid 35 and name HG2#) (resid 36 and name HN) 2.5 0.7 0.9

assign (resid 35 and name HG2#) (resid 40 and name HN) 3.0 1.2 1.0
assign (resid 35 and name HG2#) (resid 41 and name HN) 4.0 2.2 1.5
assign (resid 35 and name HA) (resid 41 and name HN) 4.0 2.2 2.0
assign (resid 35 and name HA) (resid 42 and name HN) 4.0 2.2 2.0
assign (resid 35 and name HN) (resid 42 and name HA) 4.0 2.2 1.0
assign (resid 35 and name HA) (resid 43 and name HN) 3.0 1.2 0.5
assign (resid 35 and name HN) (resid 49 and name HD#) 3.0 1.2 1.5

assign (resid 35 and name HA) (resid 40 and name HA) 4.0 2.2 1.0
assign (resid 35 and name HA) (resid 42 and name HA) 2.5 0.7 0.2
assign (resid 35 and name HA) (resid 42 and name HB) 4.0 2.2 2.0
assign (resid 35 and name HA) (resid 42 and name HG1#) 4.0 2.2 1.5
assign (resid 35 and name HA) (resid 42 and name HG2#) 4.0 2.2 1.5

assign (resid 35 and name HA) (resid 49 and name HD#) 4.0 2.2 2.5

assign (resid 35 and name HB) (resid 40 and name HA) 4.0 2.2 1.0
assign (resid 35 and name HB) (resid 40 and name HD#) 4.0 2.2 1.0
assign (resid 35 and name HB) (resid 42 and name HA) 4.0 2.2 1.0
assign (resid 35 and name HB) (resid 42 and name HG2#) 4.0 2.2 1.5
assign (resid 35 and name HB) (resid 49 and name HD*) 4.0 2.2 2.0

assign (resid 35 and name HG2#) (resid 40 and name HA) 2.5 0.7 0.7
assign (resid 35 and name HG2#) (resid 40 and name HD#) 2.5 0.7 0.7
assign (resid 35 and name HG2#) (resid 40 and name HE#) 4.0 2.2 1.0
assign (resid 35 and name HG2#) (resid 40 and name HB#) 2.5 0.7 0.7
assign (resid 35 and name HG2#) (resid 42 and name HA) 4.0 2.2 1.5
assign (resid 35 and name HG2#) (resid 37 and name HA) 3.0 1.2 0.8


!C36

assign (resid 36 and name HN) (resid 36 and name HA) 2.5 0.7 0.4
assign (resid 36 and name HN) (resid 36 and name HB#) 2.5 0.7 0.4
assign (resid 36 and name HA) (resid 36 and name HB#) 2.5 0.7 0.2

assign (resid 36 and name HN) (resid 38 and name HN) 4.0 2.2 2.0
assign (resid 36 and name HN) (resid 39 and name HN) 4.0 2.2 2.0
assign (resid 36 and name HN) (resid 40 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HN) (resid 40 and name HB#) 4.0 2.2 1.0
assign (resid 36 and name HN) (resid 40 and name HD#) 4.0 2.2 1.0
assign (resid 36 and name HN) (resid 41 and name HN) 3.0 1.2 0.7
assign (resid 36 and name HN) (resid 41 and name HB#) 3.0 1.2 1.0
assign (resid 36 and name HN) (resid 41 and name HA) 4.0 2.2 1.0
assign (resid 36 and name HN) (resid 42 and name HN) 4.0 2.2 2.0
assign (resid 36 and name HN) (resid 42 and name HA) 4.0 2.2 1.0
assign (resid 36 and name HN) (resid 42 and name HG2#) 4.0 2.2 1.5
assign (resid 36 and name HN) (resid 43 and name HN) 4.0 2.2 2.0
assign (resid 36 and name HN) (resid 43 and name HD#) 4.0 2.2 1.5
assign (resid 36 and name HN) (resid 43 and name HG1#) 4.0 2.2 1.5
assign (resid 36 and name HN) (resid 49 and name HD1#) 3.0 1.2 1.0

assign (resid 36 and name HB#) (resid 38 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HB#) (resid 39 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HB#) (resid 40 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HB#) (resid 41 and name HN) 3.0 1.2 0.5

assign (resid 36 and name HA) (resid 37 and name HD#) 2.5 0.7 0.2
assign (resid 36 and name HA) (resid 41 and name HB#) 4.0 2.2 1.5
assign (resid 36 and name HA) (resid 49 and name HD#) 2.5 0.7 0.7
assign (resid 36 and name HA) (resid 52 and name HD2) 4.0 2.2 1.0
assign (resid 36 and name HA) (resid 53 and name HD2#) 3.0 1.2 0.8

assign (resid 36 and name HB#) (resid 37 and name HD#) 4.0 2.2 2.0
assign (resid 36 and name HB#) (resid 41 and name HB#) 2.5 0.7 0.7
assign (resid 36 and name HB#) (resid 43 and name HD#) 4.0 2.2 1.5
assign (resid 36 and name HB#) (resid 49 and name HD*) 3.0 1.2 1.3
assign (resid 36 and name HB#) (resid 52 and name HD2) 4.0 2.2 1.0
assign (resid 36 and name HB#) (resid 53 and name HD2#) 4.0 2.2 1.5
assign (resid 36 and name HB#) (resid 37 and name HD#) 4.0 2.2 2.0

!P37
  
assign (resid 37 and name HA) (resid 37 and name HB1) 2.5 0.7 0.2
assign (resid 37 and name HA) (resid 37 and name HB2) 3.0 1.2 0.3
assign (resid 37 and name HA) (resid 37 and name HG#) 4.0 2.2 1.0

assign (resid 37 and name HA) (resid 38 and name HN) 3.0 1.2 0.5
assign (resid 37 and name HB1) (resid 38 and name HN) 4.0 2.2 2.0
assign (resid 37 and name HB2) (resid 38 and name HN) 4.0 2.2 1.0
assign (resid 37 and name HG#) (resid 38 and name HN) 4.0 2.2 1.0
assign (resid 37 and name HD#) (resid 38 and name HN) 3.0 1.2 0.3

assign (resid 37 and name HA) (resid 38 and name HG2#) 4.0 2.2 2.5
assign (resid 37 and name HA) (resid 40 and name HD#) 4.0 2.2 1.0
assign (resid 37 and name HA) (resid 40 and name HE#) 4.0 2.2 2.0
 
assign (resid 37 and name HG#) (resid 49 and name HD*) 4.0 2.2 2.0
assign (resid 37 and name HG#) (resid 53 and name HD2#) 4.0 2.2 2.5

!I38

assign (resid 38 and name HN) (resid 38 and name HA) 2.5 0.7 0.4
assign (resid 38 and name HN) (resid 38 and name HB) 2.5 0.7 0.4
assign (resid 38 and name HN) (resid 38 and name HG1#) 3.0 1.2 0.5
assign (resid 38 and name HN) (resid 38 and name HG2#) 4.0 2.2 1.5
assign (resid 38 and name HN) (resid 38 and name HD#) 3.0 1.2 1.0
assign (resid 38 and name HA) (resid 38 and name HB) 3.0 1.2 0.3
assign (resid 38 and name HA) (resid 38 and name HG1#) 2.5 0.7 0.2
assign (resid 38 and name HA) (resid 38 and name HG2#) 2.5 0.7 0.7
assign (resid 38 and name HA) (resid 38 and name HD#) 3.0 1.2 0.8

assign (resid 38 and name HN) (resid 39 and name HN) 2.5 0.7 0.6
assign (resid 38 and name HA) (resid 39 and name HN) 3.0 1.2 0.5
assign (resid 38 and name HB) (resid 39 and name HN) 3.0 1.2 0.5
assign (resid 38 and name HG1#) (resid 39 and name HN) 4.0 2.2 1.5
assign (resid 38 and name HG2#) (resid 39 and name HN) 4.0 2.2 2.5
assign (resid 38 and name HD#) (resid 39 and name HN) 4.0 2.2 1.5

assign (resid 38 and name HN) (resid 40 and name HN) 3.0 1.2 0.7
assign (resid 38 and name HN) (resid 41 and name HN) 4.0 2.2 2.0
assign (resid 38 and name HN) (resid 57 and name HE1) 4.0 2.2 2.0

assign (resid 38 and name HA) (resid 40 and name HE#) 4.0 2.2 2.0
assign (resid 38 and name HB) (resid 40 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HG1#) (resid 40 and name HN) 4.0 2.2 2.0

assign (resid 38 and name HD#) (resid 40 and name HN) 4.0 2.2 2.5
assign (resid 38 and name HB) (resid 57 and name HD2) 4.0 2.2 2.0

assign (resid 38 and name HG2#) (resid 39 and name HB#) 4.0 2.2 1.5
assign (resid 38 and name HG2#) (resid 39 and name HA) 4.0 2.2 1.5
assign (resid 38 and name HG2#) (resid 57 and name HA) 4.0 2.2 1.5
assign (resid 38 and name HG2#) (resid 57 and name HB#) 3.0 1.2 0.8
assign (resid 38 and name HG2#) (resid 57 and name HD2) 4.0 2.2 1.5
assign (resid 38 and name HG2#) (resid 57 and name HE1) 2.5 0.7 0.7

assign (resid 38 and name HD#) (resid 53 and name HA) 4.0 2.2 2.5
assign (resid 38 and name HD#) (resid 53 and name HD2#) 3.0 1.2 1.3
assign (resid 38 and name HD#) (resid 57 and name HA) 4.0 2.2 1.5
assign (resid 38 and name HD#) (resid 57 and name HB#) 2.5 0.7 0.7
assign (resid 38 and name HD#) (resid 57 and name HD2) 3.0 1.2 0.8
assign (resid 38 and name HD#) (resid 57 and name HE1) 4.0 2.2 1.5
assign (resid 38 and name HD#) (resid 58 and name HB#) 4.0 2.2 2.5
assign (resid 38 and name HD#) (resid 58 and name HD#) 4.0 2.2 2.5
assign (resid 38 and name HD#) (resid 58 and name HE#) 4.0 2.2 2.5
assign (resid 38 and name HD#) (resid 58 and name HZ) 4.0 2.2 2.5
assign (resid 38 and name HD#) (resid 59 and name HB#) 4.0 2.2 3.0

!C39

assign (resid 39 and name HN) (resid 39 and name HA) 3.0 1.2 0.5 
assign (resid 39 and name HN) (resid 39 and name HB#) 3.0 1.2 0.5

assign (resid 39 and name HA) (resid 39 and name HB#) 2.5 0.7 0.2

assign (resid 39 and name HN) (resid 40 and name HN) 2.5 0.7 0.6
assign (resid 39 and name HA) (resid 40 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HB#) (resid 40 and name HN) 4.0 2.2 2.0

assign (resid 39 and name HA) (resid 41 and name HN) 4.0 2.2 2.0
assign (resid 39 and name HB#) (resid 41 and name HN) 4.0 2.2 2.0

assign (resid 39 and name HN) (resid 57 and name HE1) 4.0 2.2 2.0

assign (resid 39 and name HA) (resid 57 and name HE1) 4.0 2.2 1.0
assign (resid 39 and name HB#) (resid 57 and name HE1) 2.5 0.7 0.2

!Y40

assign (resid 40 and name HN) (resid 40 and name HA) 2.5 0.7 0.4
assign (resid 40 and name HN) (resid 40 and name HB#) 3.0 1.2 0.5
assign (resid 40 and name HN) (resid 40 and name HD#) 4.0 2.2 1.0
assign (resid 40 and name HA) (resid 40 and name HB#) 2.5 0.7 0.2
assign (resid 40 and name HA) (resid 40 and name HD#) 2.5 0.7 0.2
assign (resid 40 and name HA) (resid 40 and name HE#) 4.0 2.2 1.0
assign (resid 40 and name HB#) (resid 40 and name HD#) 2.5 0.7 0.2
assign (resid 40 and name HB#) (resid 40 and name HE#) 4.0 2.2 2.0

assign (resid 40 and name HN) (resid 41 and name HN) 3.0 1.2 0.7	 
assign (resid 40 and name HA) (resid 41 and name HN) 3.0 1.2 0.5
assign (resid 40 and name HB#) (resid 41 and name HN) 4.0 2.2 1.0
assign (resid 40 and name HD#) (resid 41 and name HN) 4.0 2.2 2.0
assign (resid 40 and name hn) (resid 57 and name he1) 4.0 2.2 2.0
assign (resid 40 and name hb#) (resid 42 and name hn) 4.0 2.2 2.0

!A41

assign (resid 41 and name HN) (resid 41 and name HA) 2.5 0.7 0.4
assign (resid 41 and name HN) (resid 41 and name HB#) 2.5 0.7 0.9
assign (resid 41 and name HA) (resid 41 and name HB#) 2.5 0.7 0.7

assign (resid 41 and name HN) (resid 42 and name HN) 4.0 2.2 1.0
assign (resid 41 and name HA) (resid 42 and name HN) 2.5 0.7 0.4
assign (resid 41 and name HB#) (resid 42 and name HN) 2.5 0.7 0.9

assign (resid 41 and name HN) (resid 49 and name HD#) 4.0 2.2 1.5


assign (resid 41 and name HA) (resid 42 and name HG2#) 4.0 2.2 1.5
assign (resid 41 and name HA) (resid 42 and name HG1#) 4.0 2.2 2.5
assign (resid 41 and name HB#) (resid 43 and name HD#) 2.5 0.7 1.2
assign (resid 41 and name HB#) (resid 52 and name HD2) 4.0 2.2 1.5
assign (resid 41 and name HB#) (resid 52 and name HE1) 3.0 1.2 0.3
assign (resid 41 and name HB#) (resid 57 and name HE1) 4.0 2.2 2.5 !???

!V42

assign (resid 42 and name HN) (resid 42 and name HA) 4.0 2.2 2.0
assign (resid 42 and name HN) (resid 42 and name HB) 3.0 1.2 0.5
assign (resid 42 and name HN) (resid 42 and name HG1#) 4.0 2.2 1.5
assign (resid 42 and name HN) (resid 42 and name HG2#) 3.0 1.2 0.8
assign (resid 42 and name HA) (resid 42 and name HB) 3.0 1.2 0.3
assign (resid 42 and name HA) (resid 42 and name HG1#) 4.0 2.2 1.5
assign (resid 42 and name HA) (resid 42 and name HG2#) 3.0 1.2 0.8

assign (resid 42 and name HN) (resid 43 and name HN) 4.0 2.2 1.0
assign (resid 42 and name HA) (resid 43 and name HN) 2.5 0.7 0.4
assign (resid 42 and name HB) (resid 43 and name HN) 4.0 2.2 1.0
assign (resid 42 and name HG1#) (resid 43 and name HN) 3.0 1.2 0.8
assign (resid 42 and name HG2#) (resid 43 and name HN) 4.0 2.2 1.5
assign (resid 42 and name HG#) (resid 43 and name HN) 2.5 0.7 0.9

assign (resid 42 and name HG1#) (resid 43 and name HA) 4.0 2.2 1.5
assign (resid 42 and name HG1#) (resid 44 and name HA) 4.0 2.2 1.5
assign (resid 42 and name HG1#) (resid 44 and name HB#) 4.0 2.2 2.5
assign (resid 42 and name HG1#) (resid 44 and name HG#) 4.0 2.2 1.5
assign (resid 42 and name HG1#) (resid 44 and name HD#) 4.0 2.2 1.5

!I43

assign (resid 43 and name HN) (resid 43 and name HA) 4.0 2.2 1.0
assign (resid 43 and name HN) (resid 43 and name HB) 2.5 0.7 0.4
assign (resid 43 and name HN) (resid 43 and name HG2#) 4.0 2.2 1.5
assign (resid 43 and name HN) (resid 43 and name HG1#) 4.0 2.2 1.0
assign (resid 43 and name HN) (resid 43 and name HD#) 4.0 2.2 1.5
assign (resid 43 and name HA) (resid 43 and name HB) 3.0 1.2 0.3
assign (resid 43 and name HA) (resid 43 and name HG2#) 2.5 0.7 0.7
assign (resid 43 and name HA) (resid 43 and name HG1#) 4.0 2.2 1.0
assign (resid 43 and name HA) (resid 43 and name HD#) 3.0 1.2 0.8

assign (resid 43 and name HN) (resid 44 and name HN) 4.0 2.2 2.0
assign (resid 43 and name HA) (resid 44 and name HN) 3.0 1.2 0.5
assign (resid 43 and name HG1#) (resid 44 and name HN) 4.0 2.2 2.0

assign (resid 43 and name HG2#) (resid 44 and name HN) 4.0 2.2 2.5
assign (resid 43 and name HD#) (resid 44 and name HN) 4.0 2.2 2.5

assign (resid 43 and name HG2#) (resid 45 and name HN) 3.0 1.2 1.0
assign (resid 43 and name HA) (resid 45 and name HN) 4.0 2.2 2.0
assign (resid 43 and name HG2#) (resid 48 and name HN) 3.0 1.2 1.0

assign (resid 43 and name HG1#) (resid 49 and name HA) 4.0 2.2 2.0

assign (resid 43 and name HG2#) (resid 48 and name HA) 4.0 2.2 1.5
assign (resid 43 and name HG2#) (resid 48 and name HB#) 3.0 1.2 0.8
assign (resid 43 and name HG2#) (resid 49 and name HA) 2.5 0.7 0.7
assign (resid 43 and name HG2#) (resid 52 and name HB#) 3.0 1.2 0.8

assign (resid 43 and name HD#) (resid 49 and name HA) 3.0 1.2 0.8
assign (resid 43 and name HD#) (resid 49 and name HD#) 3.0 1.2 1.3
assign (resid 43 and name HD#) (resid 52 and name HB#) 2.5 0.7 0.7
assign (resid 43 and name HD#) (resid 52 and name HD2) 4.0 2.2 2.5
assign (resid 43 and name HD#) (resid 52 and name HE1) 4.0 2.2 1.5

!R44

assign (resid 44 and name HN) (resid 44 and name HA) 4.0 2.2 1.0
assign (resid 44 and name HN) (resid 44 and name HB#) 2.5 0.7 0.4
assign (resid 44 and name HA) (resid 44 and name HB#) 2.5 0.7 0.2
assign (resid 44 and name HA) (resid 44 and name HG#) 3.0 1.2 0.3
assign (resid 44 and name HA) (resid 44 and name HD#) 4.0 2.2 1.0

assign (resid 44 and name HN) (resid 45 and name HN) 4.0 2.2 2.0
assign (resid 44 and name HA) (resid 45 and name HN) 4.0 2.2 1.0

assign (resid 44 and name he) (resid 44 and (name hb# or name hg#))
                                        2.5 0.7 0.4


!Q45

assign (resid 45 and name HN) (resid 45 and name HA) 4.0 2.2 1.0
assign (resid 45 and name HN) (resid 45 and name HB#) 3.0 1.2 0.5
assign (resid 45 and name HN) (resid 45 and name HG#) 4.0 2.2 1.0
assign (resid 45 and name HA) (resid 45 and name HB#) 4.0 2.2 1.0
assign (resid 45 and name HA) (resid 45 and name HG#) 2.5 0.7 0.2

assign (resid 45 and name HA) (resid 46 and name HN) 2.5 0.7 0.4
assign (resid 45 and name HB#) (resid 46 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HG#) (resid 46 and name HN) 4.0 2.2 1.0

assign (resid 45 and name HN) (resid 48 and name HN) 4.0 2.2 2.0
assign (resid 45 and name HA) (resid 48 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HG#) (resid 48 and name HN) 4.0 2.2 2.0
assign (resid 45 and name HN) (resid 48 and name HB#) 4.0 2.2 2.0

!S46

assign (resid 46 and name HN) (resid 46 and name HA) 2.5 0.7 0.4
assign (resid 46 and name HN) (resid 46 and name HB#) 2.5 0.7 0.4
assign (resid 46 and name HA) (resid 46 and name HB#) 2.5 0.7 0.2

assign (resid 46 and name HN) (resid 47 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HA) (resid 47 and name HN) 4.0 2.2 2.0
assign (resid 46 and name HB#) (resid 47 and name HN) 4.0 2.2 2.0


assign (resid 46 and name HN) (resid 48 and name HN) 4.0 2.2 2.0
assign (resid 46 and name HA) (resid 48 and name HN) 4.0 2.2 2.0
assign (resid 46 and name HB#) (resid 48 and name HN) 4.0 2.2 2.0

assign (resid 46 and name HN) (resid 49 and name HN) 4.0 2.2 2.0
assign (resid 46 and name HA) (resid 49 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HB#) (resid 49 and name HN) 4.0 2.2 2.0

assign (resid 46 and name HA) (resid 49 and name HB#) 3.0 1.2 0.5
assign (resid 46 and name HA) (resid 49 and name HG) 4.0 2.2 2.0

!R47

assign (resid 47 and name HN) (resid 47 and name HA) 4.0 2.2 1.0
assign (resid 47 and name HN) (resid 47 and name HB#) 2.5 0.7 0.4
assign (resid 47 and name HN) (resid 47 and name HG#) 4.0 2.2 1.0
assign (resid 47 and name HA) (resid 47 and name HB#) 3.0 1.2 0.3

assign (resid 47 and name HN) (resid 48 and name HN) 3.0 1.2 0.7
assign (resid 47 and name HA) (resid 48 and name HN) 4.0 2.2 1.0
assign (resid 47 and name HB#) (resid 48 and name HN) 4.0 2.2 1.0
assign (resid 47 and name HG#) (resid 48 and name HN) 4.0 2.2 1.0
assign (resid 47 and name HA) (resid 49 and name HN) 4.0 2.2 2.0

assign (resid 47 and name HA) (resid 50 and name HB#) 4.0 2.2 2.0

!N48

assign (resid 48 and name HN) (resid 48 and name HA) 4.0 2.2 1.0
assign (resid 48 and name HN) (resid 48 and name HB#) 2.5 0.7 0.4
assign (resid 48 and name HA) (resid 48 and name HB#) 2.5 0.7 0.2

assign (resid 48 and name HN) (resid 49 and name HN) 3.0 1.2 0.7
assign (resid 48 and name HA) (resid 49 and name HN) 4.0 2.2 2.0
assign (resid 48 and name HA) (resid 51 and name HN) 4.0 2.2 1.0

assign (resid 48 and name HA) (resid 51 and name HB#) 4.0 2.2 1.0

!L49

assign (resid 49 and name HN) (resid 49 and name HA) 3.0 1.2 0.5
assign (resid 49 and name HN) (resid 49 and name HB#) 2.5 0.7 0.4
assign (resid 49 and name HN) (resid 49 and name HG) 4.0 2.2 2.0
assign (resid 49 and name HN) (resid 49 and name HD*) 3.0 1.2 1.0
assign (resid 49 and name HA) (resid 49 and name HB#) 2.5 0.7 0.2
assign (resid 49 and name HA) (resid 49 and name HG) 4.0 2.2 1.0
assign (resid 49 and name HA) (resid 49 and name HD#) 2.5 0.7 0.7

assign (resid 49 and name hn) (resid 52 and name hn) 4.0 2.2 2.0
assign (resid 49 and name HN) (resid 50 and name HN) 4.0 2.2 2.0
assign (resid 49 and name HA) (resid 50 and name HN) 4.0 2.2 2.0
assign (resid 49 and name HB#) (resid 50 and name HN) 4.0 2.2 1.0

assign (resid 49 and name HD#) (resid 50 and name HN) 4.0 2.2 1.5

assign (resid 49 and name HD#) (resid 51 and name HN) 4.0 2.2 1.0
assign (resid 49 and name HB#) (resid 52 and name HN) 4.0 2.2 1.0
assign (resid 49 and name HD#) (resid 52 and name HN) 4.0 2.2 2.0
assign (resid 49 and name HA) (resid 52 and name HB#) 2.5 0.7 0.2
assign (resid 49 and name HD#) (resid 52 and name HA) 4.0 2.2 2.0
assign (resid 49 and name HD#) (resid 52 and name HB#) 3.0 1.2 0.8

assign (resid 49 and name HD#) (resid 52 and name HD2) 3.0 1.2 0.8
assign (resid 49 and name HA) (resid 52 and name HD2) 4.0 2.2 1.0

assign (resid 49 and name HD*) (resid 53 and name HG) 4.0 2.2 2.0

!R50


assign (resid 50 and name HN) (resid 50 and name HA) 3.0 1.2 0.5
assign (resid 50 and name HN) (resid 50 and name HB#) 2.5 0.7 0.4
assign (resid 50 and name HN) (resid 50 and name HG#) 4.0 2.2 1.0
assign (resid 50 and name HN) (resid 50 and name HD#) 4.0 2.2 1.0
assign (resid 50 and name HA) (resid 50 and name HB#) 2.5 0.7 0.2
assign (resid 50 and name HA) (resid 50 and name HG#) 4.0 2.2 1.0

assign (resid 50 and name HA) (resid 50 and name HD#) 4.0 2.2 2.0

assign (resid 50 and name HN) (resid 51 and name HN) 3.0 1.2 0.7
assign (resid 50 and name HA) (resid 51 and name HN) 4.0 2.2 1.0
assign (resid 50 and name HN) (resid 52 and name HN) 4.0 2.2 2.0
assign (resid 50 and name HA) (resid 52 and name HN) 4.0 2.2 2.0
assign (resid 50 and name HA) (resid 53 and name HN) 4.0 2.2 2.0

!R51

assign (resid 51 and name HN) (resid 51 and name HA) 2.5 0.7 0.4
assign (resid 51 and name HN) (resid 51 and name HB#) 2.5 0.7 0.4
assign (resid 51 and name hn) (resid 53 and name hn) 4.0 2.2 2.0
assign (resid 51 and name HN) (resid 51 and name HG#) 4.0 2.2 1.0
assign (resid 51 and name HN) (resid 51 and name HD#) 4.0 2.2 1.0
assign (resid 51 and name HA) (resid 51 and name HB#) 2.5 0.7 0.2
assign (resid 51 and name HA) (resid 51 and name HG#) 4.0 2.2 1.0

assign (resid 51 and name HA) (resid 51 and name HD#) 4.0 2.2 1.0

assign (resid 51 and name HN) (resid 52 and name HN) 3.0 1.2 0.7
assign (resid 51 and name HA) (resid 52 and name HN) 3.0 1.2 0.5
assign (resid 51 and name HB#) (resid 52 and name HN) 4.0 2.2 1.0
assign (resid 51 and name HG#) (resid 52 and name HN) 4.0 2.2 2.0
assign (resid 51 and name HA) (resid 53 and name HN) 4.0 2.2 2.0
assign (resid 51 and name HA) (resid 54 and name HN) 4.0 2.2 1.0
assign (resid 51 and name hn) (resid 53 and name hn) 4.0 2.2 2.0

assign (resid 51 and name HA) (resid 54 and name HB#) 3.0 1.2 0.3
assign (resid 51 and name HG#) (resid 55 and name HD#) 4.0 2.2 1.5
assign (resid 51 and name HD#) (resid 55 and name HD#) 3.0 1.2 1.3


!H52

assign (resid 52 and name HN) (resid 52 and name HA) 4.0 2.2 1.0
assign (resid 52 and name HN) (resid 52 and name HB#) 2.5 0.7 0.4
assign (resid 52 and name HA) (resid 52 and name HB#) 2.5 0.7 0.2
assign (resid 52 and name HA) (resid 52 and name HD2) 4.0 2.2 2.0
assign (resid 52 and name HB#) (resid 52 and name HD2) 4.0 2.2 1.0
assign (resid 52 and name ha) (resid 54 and name hn) 4.0 2.2 1.0

assign (resid 52 and name HN) (resid 53 and name HN) 3.0 1.2 0.7
assign (resid 52 and name HA) (resid 53 and name HN) 4.0 2.2 2.0
assign (resid 52 and name HB#) (resid 53 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HA) (resid 55 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HA) (resid 56 and name HN) 4.0 2.2 1.0
assign (resid 52 and name ha) (resid 54 and name hn) 4.0 2.2 1.0
assign (resid 52 and name HA) (resid 56 and name HG#) 4.0 2.2 2.0


assign (resid 52 and name HD2) (resid 53 and name HA) 4.0 2.2 1.0
assign (resid 52 and name HD2) (resid 53 and name HA) 4.0 2.2 1.0
assign (resid 52 and name HD2) (resid 53 and name HD#) 2.5 0.7 0.7

assign (resid 52 and name HD2) (resid 57 and name HD2) 4.0 2.2 1.0

assign (resid 52 and name HE1) (resid 56 and name HB#) 4.0 2.2 1.0
assign (resid 52 and name HE1) (resid 56 and name HG#) 3.0 1.2 0.3
assign (resid 52 and name HE1) (resid 56 and name HD#) 4.0 2.2 1.0

assign (resid 52 and name hd1) (resid 52 and name hb2) 3.0 1.2 0.3
assign (resid 52 and name hd1) (resid 52 and name hb1) 4.0 2.2 1.0
assign (resid 52 and name hd1) (resid 52 and name ha) 3.0 1.2 0.3
assign (resid 52 and name hd1) (resid 41 and name hb#) 3.0 1.2 0.8
assign (resid 52 and name hd1) (resid 43 and name hg11) 4.0 2.2 1.0
assign (resid 52 and name hd1) (resid 43 and name hg12) 4.0 2.2 1.0
assign (resid 52 and name hd1) (resid 43 and name hg11) 4.0 2.2 1.0
assign (resid 52 and name hd1) (resid 43 and name hd#) 3.0 1.2 0.8
assign (resid 52 and name hd1) (resid 56 and name hb#) 4.0 2.2 1.0
assign (resid 52 and name hd1) (resid 56 and name hg#) 3.0 1.2 0.3
assign (resid 52 and name hd1) (resid 56 and name hd#) 4.0 2.2 1.0




!L53

assign (resid 53 and name HN) (resid 53 and name HA) 3.0 1.2 0.5
assign (resid 53 and name HN) (resid 53 and name HB#) 2.5 0.7 0.4
assign (resid 53 and name HN) (resid 53 and name HG) 2.5 0.7 0.4
assign (resid 53 and name HN) (resid 53 and name HD#) 3.0 1.2 1.0
assign (resid 53 and name HA) (resid 53 and name HB#) 2.5 0.7 0.2
assign (resid 53 and name HA) (resid 53 and name HG) 4.0 2.2 1.0
assign (resid 53 and name HA) (resid 53 and name HD#) 2.5 0.7 0.2

assign (resid 53 and name HN) (resid 54 and name HN) 3.0 1.2 0.7
assign (resid 53 and name HA) (resid 54 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HB#) (resid 54 and name HN) 3.0 1.2 0.5
assign (resid 53 and name HD#) (resid 54 and name HN) 4.0 2.2 2.0
assign (resid 53 and name HN) (resid 55 and name HN) 4.0 2.2 2.0
assign (resid 53 and name HN) (resid 57 and name HD2) 4.0 2.2 1.0

assign (resid 53 and name HA) (resid 55 and name HN) 4.0 2.2 1.0

assign (resid 53 and name HD#) (resid 57 and name HN) 4.0 2.2 2.5
assign (resid 53 and name HD#) (resid 58 and name HN) 4.0 2.2 2.5

assign (resid 53 and name HA) (resid 57 and name HB#) 4.0 2.2 1.0
assign (resid 53 and name HA) (resid 57 and name HD2) 3.0 1.2 0.3

assign (resid 53 and name HB#) (resid 57 and name HD2) 4.0 2.2 1.0

assign (resid 53 and name HG) (resid 55 and name HN) 4.0 2.2 2.0

assign (resid 53 and name HD#) (resid 57 and name HB#) 3.0 1.2 0.8 !D1
assign (resid 53 and name HD#) (resid 57 and name HD2) 2.5 0.7 0.7 !D1
assign (resid 53 and name HD#) (resid 58 and name HZ) 4.0 2.2 2.0 !D1

assign (resid 53 and name HD#) (resid 57 and name HD2) 4.0 2.2 2.5 !D2
assign (resid 53 and name HD#) (resid 58 and name HE#) 4.0 2.2 2.5 !D2
assign (resid 53 and name HD#) (resid 58 and name HZ) 4.0 2.2 2.5 !D2

!E54

assign (resid 54 and name HN) (resid 54 and name HA) 2.5 0.7 0.4
assign (resid 54 and name HN) (resid 54 and name HB#) 2.5 0.7 0.4
assign (resid 54 and name HN) (resid 54 and name HG#) 3.0 1.2 0.5
assign (resid 54 and name HA) (resid 54 and name HB#) 3.0 1.2 0.3
assign (resid 54 and name HA) (resid 54 and name HG#) 3.0 1.2 0.3

assign (resid 54 and name HN) (resid 55 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HA) (resid 55 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HB#) (resid 55 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HA) (resid 56 and name HN) 4.0 2.2 2.0
assign (resid 54 and name HA) (resid 58 and name HN) 3.0 1.2 0.5
assign (resid 54 and name HA) (resid 59 and name HN) 3.0 1.2 0.5

assign (resid 54 and name HB#) (resid 59 and name HN) 4.0 2.2 2.0

assign (resid 54 and name HA) (resid 58 and name HA) 4.0 2.2 1.0
assign (resid 54 and name HA) (resid 58 and name HB#) 4.0 2.2 1.0
assign (resid 54 and name HA) (resid 58 and name HD#) 4.0 2.2 1.0
assign (resid 54 and name HG#) (resid 58 and name HD#) 4.0 2.2 2.0 !G2
assign (resid 54 and name HA) (resid 59 and name HB#) 3.0 1.2 0.8
assign (resid 54 and name hn) (resid 56 and name hn) 4.0 2.2 1.0


!L55

assign (resid 55 and name HN) (resid 55 and name HA) 2.5 0.7 0.4
assign (resid 55 and name HN) (resid 55 and name HB#) 2.5 0.7 0.4
assign (resid 55 and name HN) (resid 55 and name HG) 4.0 2.2 1.0
assign (resid 55 and name HN) (resid 55 and name HD#) 2.5 0.7 0.9 !D2
assign (resid 55 and name HA) (resid 55 and name HB#) 2.5 0.7 0.2
assign (resid 55 and name HA) (resid 55 and name HG) 4.0 2.2 1.0
assign (resid 55 and name HA) (resid 55 and name HD#) 2.5 0.7 0.7

assign (resid 55 and name HN) (resid 56 and name HN) 3.0 1.2 0.7
assign (resid 55 and name HA) (resid 56 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HB#) (resid 56 and name HN) 3.0 1.2 0.5
assign (resid 55 and name HG) (resid 56 and name HN) 4.0 2.2 2.0
assign (resid 55 and name HD#) (resid 56 and name HN) 4.0 2.2 2.5 !D2

assign (resid 55 and name HN) (resid 57 and name HN) 4.0 2.2 2.0

!R56

assign (resid 56 and name HN) (resid 56 and name HA) 3.0 1.2 0.5
assign (resid 56 and name HN) (resid 56 and name HB#) 2.5 0.7 0.4
assign (resid 56 and name HN) (resid 56 and name HG#) 3.0 1.2 0.5
assign (resid 56 and name HN) (resid 56 and name HD#) 4.0 2.2 1.0
assign (resid 56 and name HA) (resid 56 and name HB#) 2.5 0.7 0.2
assign (resid 56 and name HA) (resid 56 and name HG#) 4.0 2.2 1.0
assign (resid 56 and name HA) (resid 56 and name HD#) 2.5 0.7 0.2
assign (resid 56 and name he) (resid 56 and name ha) 3.0 1.2 0.5
assign (resid 56 and name he) (resid 56 and name hb1) 3.0 1.2 0.5
assign (resid 56 and name he) (resid 56 and name hb2) 4.0 1.0 1.0
assign (resid 56 and name he) (resid 56 and name hg#) 3.0 1.2 0.5
assign (resid 56 and name he) (resid 56 and name hd#) 2.5 0.7 0.4


assign (resid 56 and name HN) (resid 57 and name HN) 2.5 0.7 0.6
assign (resid 56 and name HA) (resid 57 and name HN) 4.0 2.2 1.0
assign (resid 56 and name HB#) (resid 57 and name HN) 4.0 2.2 2.0
assign (resid 56 and name HN) (resid 58 and name HN) 4.0 2.2 1.0

!H57

assign (resid 57 and name HN) (resid 57 and name HA) 4.0 2.2 1.0
assign (resid 57 and name HN) (resid 57 and name HB#) 3.0 1.2 0.5
assign (resid 57 and name HN) (resid 57 and name HD2) 4.0 2.2 2.0
assign (resid 57 and name HA) (resid 57 and name HB#) 2.5 0.7 0.2
assign (resid 57 and name HA) (resid 57 and name HD2) 4.0 2.2 2.0
assign (resid 57 and name HB#) (resid 57 and name HD2) 3.0 1.2 0.3
assign (resid 57 and name HD2) (resid 57 and name HE1) 4.0 2.2 1.0

assign (resid 57 and name HN) (resid 58 and name HN) 2.5 0.7 0.6
assign (resid 57 and name HA) (resid 58 and name HN) 4.0 2.2 1.0
assign (resid 57 and name HB#) (resid 58 and name HN) 4.0 2.2 1.0
assign (resid 57 and name HN) (resid 59 and name HN) 4.0 2.2 1.0

assign (resid 57 and name HA) (resid 58 and name HD#) 4.0 2.2 2.0

!F58

assign (resid 58 and name HN) (resid 58 and name HA) 2.5 0.7 0.4
assign (resid 58 and name HN) (resid 58 and name HB#) 2.5 0.7 0.4
assign (resid 58 and name HA) (resid 58 and name HB#) 2.5 0.7 0.2
assign (resid 58 and name HA) (resid 58 and name HD#) 3.0 1.2 0.5
assign (resid 58 and name HA) (resid 58 and name HE#) 4.0 2.2 2.0
assign (resid 58 and name HB#) (resid 58 and name HD#) 3.0 1.2 0.3

assign (resid 58 and name HB#) (resid 58 and name HE#) 4.0 2.2 2.0 !B2
assign (resid 58 and name HB#) (resid 58 and name HZ) 4.0 2.2 2.0 !B2

assign (resid 58 and name HN) (resid 59 and name HN) 3.0 1.2 0.7
assign (resid 58 and name HA) (resid 59 and name HN) 3.0 1.2 0.5
assign (resid 58 and name HB#) (resid 59 and name HN) 3.0 1.2 0.5


!A59

assign (resid 59 and name HN) (resid 59 and name HA) 3.0 1.2 0.5 
assign (resid 59 and name HN) (resid 59 and name HB#) 2.5 0.7 0.9
assign (resid 59 and name HA) (resid 59 and name HB#) 2.5 0.7 0.7

assign (resid 59 and name HN) (resid 60 and name HN) 4.0 2.2 1.0
assign (resid 59 and name HA) (resid 60 and name HN) 3.0 1.2 0.5
assign (resid 59 and name HB#) (resid 60 and name HN) 3.0 1.2 1.0

!K60

assign (resid 60 and name HN) (resid 60 and name HA) 4.0 2.2 1.0
assign (resid 60 and name HN) (resid 60 and name HB#) 2.5 0.7 0.4
assign (resid 60 and name HN) (resid 60 and name HG#) 4.0 2.2 1.0
assign (resid 60 and name HA) (resid 60 and name HB#) 2.5 0.7 0.2
assign (resid 60 and name HA) (resid 60 and name HG#) 3.0 1.2 0.3


assign (resid 60 and name HA) (resid 61 and name HD#) 2.5 0.7 0.2
assign (resid 60 and name HB#) (resid 61 and name HD#) 4.0 2.2 1.0

!P61

assign (resid 61 and name HA) (resid 61 and name HB1) 3.0 1.2 0.3
assign (resid 61 and name HA) (resid 61 and name HB2) 4.0 2.2 1.0
assign (resid 61 and name HA) (resid 61 and name HG#) 4.0 2.2 1.0

assign (resid 61 and name HA) (resid 62 and name HN) 2.5 0.7 0.4
assign (resid 61 and name HB1) (resid 62 and name HN) 4.0 2.2 1.0
assign (resid 61 and name HB2) (resid 62 and name HN) 4.0 2.2 1.0

!G62

assign (resid 62 and name HN) (resid 62 and name HA1) 2.5 0.7 0.4
assign (resid 62 and name HN) (resid 62 and name HA2) 2.5 0.7 0.4

assign (resid 62 and name HA#) (resid 63 and name HN) 4.0 2.2 1.0

!V63

assign (resid 63 and name HN) (resid 63 and name HA) 4.0 2.2 2.0
assign (resid 63 and name HN) (resid 63 and name HB) 4.0 2.2 2.0
assign (resid 63 and name HA) (resid 63 and name HB) 4.0 2.2 1.0
assign (resid 63 and name HA) (resid 63 and name HG1#) 4.0 2.2 1.5
assign (resid 63 and name HA) (resid 63 and name HG2#) 4.0 2.2 1.5



!negative noes
assign (resid 25 and name he) (resid 25 and name ha) 5.0 0.4 10.0
assign (resid 44 and name he) (resid 44 and name ha) 5.0 0.4 10.0
assign (resid 47 and name he) (resid 47 and name ha) 5.0 0.4 10.0
assign (resid 50 and name he) (resid 50 and name ha) 5.0 0.4 10.0
assign (resid 51 and name he) (resid 51 and name ha) 5.0 0.4 10.0



!interstrand

!imino-imino
assign (resid 121 and name h1) (resid 120 and name h1) 3.0 0.5 2.0
assign (resid 120 and name h1) (resid 104 and name h1) 2.5 0.2 1.5
assign (resid 104 and name h1) (resid 118 and name h3) 3.0 0.5 2.0
assign (resid 118 and name h3) (resid 106 and name h1) 3.0 0.5 2.0
assign (resid 106 and name h1) (resid 116 and name h3) 3.0 0.5 2.0
assign (resid 116 and name h3) (resid 108 and name h1) 3.0 0.5 2.0
assign (resid 108 and name h1) (resid 109 and name h3) 4.0 0.1 10.0
assign (resid 109 and name h3) (resid 113 and name h3) 2.5 0.2 1.5

!A(H2)-imino
assign (resid 114 and name h2) (resid 108 and name h1) 3.5 0.5 2.5
assign (resid 107 and name h2) ((resid 106 and name h1)
                    or (resid 108 and name h1)) 2.5 0.2 1.0
assign (resid 105 and name h2) (resid 104 and name h1) 2.5 0.2 1.0
assign (resid 105 and name h2) (resid 106 and name h1) 3.0 0.5 2.0
assign (resid 110 and name h2) (resid 109 and name h3) 3.0 0.5 2.0

!C(hn*)-imino
assign (resid 117 and name hn*) (resid 118 and name h3) 3.5 0.5 2.5
assign ((resid 117 and name hn*) or (resid 115 and name hn*))
                                (resid 116 and name h3) 3.0 0.5 2.5
assign (resid 119 and name hn*) (resid 118 and name h3) 3.5 0.5 2.5
assign (resid 103 and name hn*) (resid 104 and name h1) 2.5 0.2 1.5

!interstrand A(H2)-imino
assign (resid 114 and name h2) (resid 109 and name h3) 2.5 0.2 0.5
assign (resid 110 and name h2) (resid 113 and name h3) 2.5 0.2 0.5
assign (resid 107 and name h2) (resid 116 and name h3) 2.5 0.2 0.5
assign (resid 105 and name h2) (resid 118 and name h3) 2.5 0.2 0.5

!interstrand C(hn*)-imino
assign (resid 115 and name hn*) (resid 108 and name h1) 2.5 0.2 0.5
assign (resid 117 and name hn*) (resid 106 and name h1) 2.5 0.2 0.5
assign (resid 119 and name hn*) (resid 104 and name h1) 2.5 0.2 0.5
assign (resid 103 and name hn*) (resid 120 and name h1) 2.5 0.2 0.5
assign (resid 102 and name hn*) (resid 121 and name h1) 2.5 0.2 0.5

!methyl imino
assign (resid 118 and name h5#) (resid 118 and name h3) 4.0 2.2 1.0
assign (resid 118 and name h5#) (resid 104 and name h1) 4.0 2.2 2.0
assign (resid 109 and name h5#) (resid 109 and name h3) 4.0 2.2 1.0

!C(H5)-imino
assign (resid 119 and name h5) (resid 118 and name h3) 4.0 2.2 2.0
assign (resid 119 and name h5) (resid 104 and name h1) 4.0 2.2 1.0
assign (resid 117 and name h5) (resid 106 and name h1) 4.0 2.2 2.0
assign (resid 102 and name h5) (resid 120 and name h1) 4.0 2.2 2.0

assign (resid 109 and name h3) (resid 109 and name h6) 4.0 2.2 2.0

!C(HN*)
assign (resid 119 and name hn*) (resid 118 and name h5#) 4.0 1.2 1.5
assign (resid 119 and name hn*) (resid 105 and name h2) 4.0 1.2 2.0
assign (resid 117 and name hn*) (resid 116 and name h5#) 4.0 1.2 1.5


!dna intraresidue noes
!intraresidue
assign (resid 101 and name h1') (resid 101 and name h2') 3.0 0.7 0.5
assign (resid 101 and name h1') (resid 101 and name h2'') 2.5 0.7 0.01 
assign (resid 101 and name h1') (resid 101 and name h8) 4.0 1.5 1.0
assign (resid 101 and name h2') (resid 101 and name h8) 3.0 0.7 0.5
assign (resid 101 and name h3') (resid 101 and name h8) 4.0 1.5 1.0

assign (resid 102 and name h1') (resid 102 and name h2') 3.0 0.7 0.5
assign (resid 102 and name h1') (resid 102 and name h2'') 2.5 0.7 0.01 
assign (resid 102 and name h1') (resid 102 and name h6) 4.0 1.5 1.0
assign (resid 102 and name h2') (resid 102 and name h6) 3.0 0.7 0.5 
assign (resid 102 and name h3') (resid 102 and name h6) 4.0 1.5 1.0

assign (resid 103 and name h1') (resid 103 and name h2') 3.0 0.7 0.5
assign (resid 103 and name h1') (resid 103 and name h2'') 2.5 0.7 0.01 
assign (resid 103 and name h1') (resid 103 and name h6) 4.0 1.5 1.0
assign (resid 103 and name h3') (resid 103 and name h6) 4.0 1.5 1.0

assign (resid 104 and name h1') (resid 104 and name h2') 3.0 0.7 0.5
assign (resid 104 and name h1') (resid 104 and name h2'') 2.5 0.7 0.01 
assign (resid 104 and name h1') (resid 104 and name h8) 3.0 0.7 1.0
assign (resid 104 and name h1') (resid 104 and name h4') 4.0 1.5 1.0
assign (resid 104 and name h3') (resid 104 and name h8) 4.0 1.5 1.0

assign (resid 105 and name h1') (resid 105 and name h2') 3.0 0.7 0.5
assign (resid 105 and name h1') (resid 105 and name h2'') 2.5 0.7 0.01 
assign (resid 105 and name h1') (resid 105 and name h4') 4.0 1.5 1.0

assign (resid 106 and name h1') (resid 106 and name h2') 3.0 0.7 0.5
assign (resid 106 and name h1') (resid 106 and name h2'') 3.0 0.7 0.5
assign (resid 106 and name h1') (resid 106 and name h8) 3.0 0.7 1.0
assign (resid 106 and name h2') (resid 106 and name h8) 4.0 1.5 1.0
assign (resid 106 and name h1') (resid 106 and name h4') 4.0 1.5 1.0
assign (resid 106 and name h3') (resid 106 and name h8) 4.0 1.5 1.0

assign (resid 107 and name h1') (resid 107 and name h2') 3.0 0.7 0.5
assign (resid 107 and name h1') (resid 107 and name h2'') 2.5 0.7 0.01 
assign (resid 107 and name h1') (resid 107 and name h4') 4.0 1.5 1.0

assign (resid 108 and name h1') (resid 108 and name h2') 3.0 0.7 0.5
assign (resid 108 and name h1') (resid 108 and name h2'') 2.5 0.7 0.01 
assign (resid 108 and name h1') (resid 108 and name h8) 4.0 1.5 1.0
assign (resid 108 and name h2') (resid 108 and name h8) 4.0 1.5 1.0
assign (resid 108 and name h3') (resid 108 and name h8) 4.0 1.5 1.0
assign (resid 108 and name h1') (resid 108 and name h4') 4.0 1.5 1.0

assign (resid 109 and name h1') (resid 109 and name h2') 3.0 0.7 0.5
assign (resid 109 and name h1') (resid 109 and name h2'') 2.5 0.7 0.01 
assign (resid 109 and name h1') (resid 109 and name h6) 3.0 0.7 1.0
assign (resid 109 and name h2') (resid 109 and name h6) 2.5 0.7 0.01
assign (resid 109 and name h3') (resid 109 and name h6) 4.0 1.5 1.0
assign (resid 109 and name h1') (resid 109 and name h4') 4.0 1.5 1.0

assign (resid 110 and name h1') (resid 110 and name h2') 3.0 0.7 0.5
assign (resid 110 and name h1') (resid 110 and name h2'') 2.5 0.7 0.01 
assign (resid 110 and name h1') (resid 110 and name h8) 3.0 0.7 1.0
assign (resid 110 and name h2') (resid 110 and name h8) 2.5 0.7 0.01
assign (resid 110 and name h3') (resid 110 and name h8) 4.0 1.5 1.0
assign (resid 110 and name h1') (resid 110 and name h4') 4.0 1.5 1.0

assign (resid 111 and name h1') (resid 111 and name h2') 3.0 0.7 0.5
assign (resid 111 and name h1') (resid 111 and name h2'') 2.5 0.7 0.01 
assign (resid 111 and name h1') (resid 111 and name h6) 3.0 0.7 1.0
assign (resid 111 and name h2') (resid 111 and name h6) 2.5 0.7 0.01
assign (resid 111 and name h3') (resid 111 and name h6) 3.0 0.7 0.5
assign (resid 111 and name h1') (resid 111 and name h4') 3.0 0.7 0.5

assign (resid 112 and name h1') (resid 112 and name h2') 3.0 0.7 0.5
assign (resid 112 and name h1') (resid 112 and name h2'') 2.5 0.7 0.01 
assign (resid 112 and name h1') (resid 112 and name h8) 4.0 1.5 1.0
assign (resid 112 and name h2') (resid 112 and name h8) 2.5 0.7 0.01
assign (resid 112 and name h3') (resid 112 and name h8) 4.0 1.5 1.0
assign (resid 112 and name h1') (resid 112 and name h4') 4.0 1.5 1.0

assign (resid 113 and name h1') (resid 113 and name h2') 3.0 0.7 0.5
assign (resid 113 and name h1') (resid 113 and name h2'') 2.5 0.7 0.01 
assign (resid 113 and name h1') (resid 113 and name h6) 4.0 1.5 1.0
assign (resid 113 and name h2') (resid 113 and name h6) 4.0 1.5 1.0
assign (resid 113 and name h3') (resid 113 and name h6) 4.0 1.5 1.0
assign (resid 113 and name h1') (resid 113 and name h4') 4.0 1.5 1.0

assign (resid 114 and name h1') (resid 114 and name h2') 3.0 0.7 0.5
assign (resid 114 and name h1') (resid 114 and name h2'') 2.5 0.7 0.01 
assign (resid 114 and name h1') (resid 114 and name h8) 3.0 0.7 1.0
assign (resid 114 and name h2') (resid 114 and name h8) 2.5 0.7 0.01
assign (resid 114 and name h3') (resid 114 and name h8) 4.0 1.5 1.0
assign (resid 114 and name h1') (resid 114 and name h4') 4.0 1.5 1.0

assign (resid 115 and name h1') (resid 115 and name h2') 3.0 0.7 0.5
assign (resid 115 and name h1') (resid 115 and name h2'') 2.5 0.7 0.01 
assign (resid 115 and name h1') (resid 115 and name h6) 3.0 0.7 1.0
assign (resid 115 and name h2') (resid 115 and name h6) 2.5 0.7 0.01
assign (resid 115 and name h3') (resid 115 and name h6) 4.0 1.5 1.0
assign (resid 115 and name h1') (resid 115 and name h4') 4.0 1.5 1.0

assign (resid 116 and name h1') (resid 116 and name h2') 3.0 0.7 0.5
assign (resid 116 and name h1') (resid 116 and name h2'') 2.5 0.7 0.01 
assign (resid 116 and name h1') (resid 116 and name h6) 4.0 1.5 1.0
assign (resid 116 and name h2') (resid 116 and name h6) 4.0 1.5 1.0
assign (resid 116 and name h3') (resid 116 and name h6) 4.0 1.5 1.0
assign (resid 116 and name h1') (resid 116 and name h4') 4.0 1.5 1.0

assign (resid 117 and name h1') (resid 117 and name h2') 3.0 0.7 0.5
assign (resid 117 and name h1') (resid 117 and name h2'') 2.5 0.7 0.01 
assign (resid 117 and name h1') (resid 117 and name h6) 3.0 0.7 1.0
assign (resid 117 and name h2') (resid 117 and name h6) 4.0 1.5 1.0
assign (resid 117 and name h3') (resid 117 and name h6) 3.0 0.7 0.5
assign (resid 117 and name h1') (resid 117 and name h4') 4.0 1.5 1.0

assign (resid 118 and name h1') (resid 118 and name h2') 3.0 0.7 0.5
assign (resid 118 and name h1') (resid 118 and name h2'') 2.5 0.7 0.01 
assign (resid 118 and name h1') (resid 118 and name h6) 4.0 1.5 1.0
assign (resid 118 and name h2') (resid 118 and name h6) 4.0 1.5 1.0
assign (resid 118 and name h3') (resid 118 and name h6) 3.0 0.7 0.5
assign (resid 118 and name h1') (resid 118 and name h4') 4.0 1.5 1.0

assign (resid 119 and name h1') (resid 119 and name h2') 3.0 0.7 0.5
assign (resid 119 and name h1') (resid 119 and name h2'') 2.5 0.7 0.01 
assign (resid 119 and name h1') (resid 119 and name h6) 3.0 0.7 1.0
assign (resid 119 and name h2') (resid 119 and name h6) 3.0 0.7 0.5
assign (resid 119 and name h3') (resid 119 and name h6) 4.0 1.5 1.0
assign (resid 119 and name h1') (resid 119 and name h4') 3.0 0.7 0.5

assign (resid 120 and name h1') (resid 120 and name h2') 3.0 0.7 0.5
assign (resid 120 and name h1') (resid 120 and name h2'') 2.5 0.7 0.01 
assign (resid 120 and name h1') (resid 120 and name h8) 4.0 1.5 1.0
assign (resid 120 and name h2') (resid 120 and name h8) 3.0 0.7 0.5
assign (resid 120 and name h3') (resid 120 and name h8) 4.0 1.5 1.0
assign (resid 120 and name h1') (resid 120 and name h4') 3.0 0.7 0.5

assign (resid 121 and name h1') (resid 121 and name h2') 3.0 0.7 0.5
assign (resid 121 and name h1') (resid 121 and name h2'') 2.5 0.7 0.01 
assign (resid 121 and name h1') (resid 121 and name h8) 4.0 1.5 1.0
assign (resid 121 and name h2') (resid 121 and name h8) 3.0 0.7 0.5
assign (resid 121 and name h3') (resid 121 and name h8) 3.0 0.7 0.5
assign (resid 121 and name h1') (resid 121 and name h4') 3.0 0.7 0.5

assign (resid 122 and name h1') (resid 122 and name h2') 3.0 0.7 0.5
assign (resid 122 and name h1') (resid 122 and name h2'') 2.5 0.7 0.01 
assign (resid 122 and name h1') (resid 122 and name h6) 3.0 0.7 1.0
assign (resid 122 and name h2') (resid 122 and name h6) 3.0 1.2 0.5
assign (resid 122 and name h3') (resid 122 and name h6) 3.0 0.7 0.5
assign (resid 122 and name h1') (resid 122 and name h4') 3.0 0.7 0.5



!interresidue-intrastrand

assign (resid 101 and name h1') (resid 102 and name h6) 4.0 1.5 1.0
assign (resid 101 and name h2') (resid 102 and name h6) 3.0 0.7 0.5
assign (resid 101 and name h2'') (resid 102 and name h6) 2.5 0.7 0.01
assign (resid 101 and name h8) (resid 102 and name h5) 4.0 1.5 1.0
assign (resid 101 and name h2') (resid 102 and name h5) 4.0 1.5 1.0
assign (resid 101 and name h2'') (resid 102 and name h5) 4.0 1.5 1.0

assign (resid 102 and name h1') (resid 103 and name h6) 4.0 1.5 1.0
assign (resid 102 and name h2'') (resid 103 and name h6) 3.0 0.7 2.0
assign (resid 102 and name h2') (resid 103 and name h6) 4.0 1.5 1.0
assign (resid 102 and name h2'') (resid 103 and name h5) 4.0 1.5 1.0
assign (resid 102 and name h2') (resid 103 and name h5) 4.0 1.5 1.0

assign (resid 103 and name h1') (resid 104 and name h8) 4.0 1.5 1.0
assign (resid 103 and name h6) (resid 104 and name h8) 4.0 1.5 1.0

assign (resid 104 and name h8) (resid 105 and name h8) 4.0 1.5 2.0

assign (resid 105 and name h1') (resid 106 and name h8) 4.0 1.5 1.0

assign (resid 107 and name h1') (resid 108 and name h8) 4.0 1.5 1.0 
assign (resid 107 and name h8) (resid 108 and name h8) 4.0 1.5 2.0

assign (resid 108 and name h1') (resid 109 and name h6) 4.0 1.5 1.0
assign (resid 108 and name h1') (resid 109 and name h5#) 3.0 0.7 1.0
assign (resid 108 and name h2') (resid 109 and name h5#) 3.0 0.7 1.0
assign (resid 108 and name h2'') (resid 109 and name h5#) 3.0 0.7 1.0
assign (resid 108 and name h8) (resid 109 and name h5#) 4.0 1.5 1.5
assign (resid 108 and name h2') (resid 109 and name h6) 4.0 1.5 1.0
assign (resid 108 and name h2'') (resid 109 and name h6) 2.5 0.7 0.01

assign (resid 109 and name h1') (resid 110 and name h8) 4.0 1.5 1.0
assign (resid 109 and name h2') (resid 110 and name h8) 4.0 1.5 1.0
assign (resid 109 and name h2'') (resid 110 and name h8) 2.5 0.7 0.01
assign (resid 109 and name h3') (resid 110 and name h8) 4.0 1.5 1.0

assign (resid 110 and name h1') (resid 111 and name h6) 3.0 0.7 1.0
assign (resid 110 and name h2') (resid 111 and name h6) 4.0 1.5 1.0
assign (resid 110 and name h2'') (resid 111 and name h6) 2.5 0.7 0.01
assign (resid 110 and name h8) (resid 111 and name h6) 4.0 1.5 1.0
assign (resid 110 and name h8) (resid 111 and name h5) 4.0 1.5 1.0

assign (resid 112 and name h1') (resid 113 and name h6) 4.0 1.5 1.0
assign (resid 112 and name h1') (resid 113 and name h5#) 3.0 0.7 1.0
assign (resid 112 and name h2') (resid 113 and name h6) 3.0 0.7 0.5
assign (resid 112 and name h2'') (resid 113 and name h6) 2.5 0.7 0.01
assign (resid 112 and name h8) (resid 113 and name h5#) 3.0 0.7 1.0

assign (resid 113 and name h3') (resid 114 and name h8) 4.0 1.5 1.0
assign (resid 113 and name h2') (resid 114 and name h8) 4.0 1.5 1.0
assign (resid 113 and name h2'') (resid 114 and name h8) 3.0 0.7 0.5
assign (resid 113 and name h6) (resid 114 and name h8) 4.0 1.5 2.0
assign (resid 113 and name h1') (resid 114 and name h8) 4.0 1.5 1.0

assign (resid 114 and name h1') (resid 115 and name h6) 3.0 0.7 0.5
assign (resid 114 and name h8) (resid 115 and name h6) 4.0 1.5 2.0
assign (resid 114 and name h8) (resid 115 and name h5) 4.0 1.5 2.0
assign (resid 114 and name h2'') (resid 115 and name h6) 3.0 0.7 0.5
assign (resid 114 and name h2') (resid 115 and name h6) 4.0 1.5 1.0
assign (resid 114 and name h3') (resid 115 and name h6) 4.0 1.5 1.0

assign (resid 115 and name h1') (resid 116 and name h6) 4.0 1.5 1.0
assign (resid 115 and name h3') (resid 116 and name h6) 4.0 1.5 1.0
assign (resid 115 and name h1') (resid 116 and name h5#) 4.0 1.5 1.5
assign (resid 115 and name h2') (resid 116 and name h5#) 3.0 0.7 1.0
assign (resid 115 and name h2'') (resid 116 and name h5#) 3.0 0.7 1.0
assign (resid 115 and name h6) (resid 116 and name h5#) 3.0 0.7 1.5
assign (resid 115 and name h6) (resid 116 and name h6) 4.0 1.5 1.0
assign (resid 115 and name h2'') (resid 116 and name h6) 3.0 0.7 0.5
assign (resid 115 and name h2') (resid 116 and name h6) 4.0 1.5 1.0

assign (resid 116 and name h1') (resid 117 and name h6) 4.0 1.5 1.0
assign (resid 116 and name h3') (resid 117 and name h6) 4.0 1.5 1.0
assign (resid 116 and name h5#) (resid 117 and name h5) 4.0 1.5 1.5
assign (resid 116 and name h2'') (resid 117 and name h6) 2.5 0.7 0.01
assign (resid 116 and name h2') (resid 117 and name h6) 3.0 0.7 0.5
assign (resid 116 and name h2'') (resid 117 and name h5) 4.0 1.5 1.0
assign (resid 116 and name h2') (resid 117 and name h5) 4.0 1.5 1.0
assign (resid 116 and name h6) (resid 117 and name h6) 4.0 1.5 1.0

assign (resid 117 and name h1') (resid 118 and name h6) 4.0 1.5 1.0
assign (resid 117 and name h1') (resid 118 and name h5#) 4.0 1.5 1.5
assign (resid 117 and name h2'') (resid 118 and name h6) 3.0 0.7 0.5
assign (resid 117 and name h2') (resid 118 and name h6) 4.0 1.5 1.0
assign (resid 117 and name h2'') (resid 118 and name h5#) 4.0 1.5 1.5
assign (resid 117 and name h2') (resid 118 and name h5#) 4.0 1.5 1.5
assign (resid 117 and name h6) (resid 118 and name h6) 4.0 2.2 1.0
assign (resid 117 and name h5) (resid 118 and name h5#) 4.0 1.5 1.5
assign (resid 117 and name h6) (resid 118 and name h5#) 3.0 0.7 1.0

assign (resid 118 and name h1') (resid 119 and name h6) 4.0 1.5 1.0
assign (resid 118 and name h2') (resid 119 and name h6) 4.0 1.5 1.0
assign (resid 118 and name h2'') (resid 119 and name h6) 2.5 0.7 0.01
assign (resid 118 and name h3') (resid 119 and name h6) 4.0 1.5 1.0
assign (resid 118 and name h5#) (resid 119 and name h5) 3.0 0.7 1.0
assign (resid 118 and name h6) (resid 119 and name h6) 4.0 1.5 1.0
assign (resid 118 and name h2') (resid 119 and name h5) 4.0 1.5 1.0
assign (resid 118 and name h2'') (resid 119 and name h5) 4.0 1.5 1.0

assign (resid 119 and name h1') (resid 120 and name h8) 4.0 1.5 1.0
assign (resid 119 and name h6) (resid 120 and name h8) 4.0 1.5 1.0

assign (resid 120 and name h1') (resid 121 and name h8) 3.0 0.7 0.5

assign (resid 121 and name h1') (resid 122 and name h6) 4.0 1.5 1.0
assign (resid 121 and name h3') (resid 122 and name h6) 5.0 2.0 1.0
assign (resid 121 and name h2') (resid 122 and name h6) 4.0 1.5 1.0
assign (resid 121 and name h2'') (resid 122 and name h6) 2.5 0.7 0.01
assign (resid 121 and name h2') (resid 122 and name h5) 4.0 1.5 1.0
assign (resid 121 and name h8) (resid 122 and name h5) 4.0 1.5 1.0





assign (resid 30 and name hb#)  (resid 114 and name h8) 3.0 1.2 0.5
assign (resid 30 and name hb#)  (resid 114 and name h3') 3.0 1.2 0.5
assign (resid 30 and name hb#)  (resid 115 and name h5) 4.0 2.2 1.5
assign (resid 30 and name hb#) (resid 114 and name h2') 4.0 2.2 1.0
assign (resid 30 and name hb#) (resid 114 and name h2'') 4.0 2.2 2.0


assign (resid 28 and name hb1) ((resid 105) and name h3') 3.0 1.2 0.5
assign (resid 28 and name hb2) ((resid 105) and name h3') 4.0 2.2 1.0
assign (resid 28 and name ha) ((resid 105 ) and name h3') 4.0 2.2 1.0


assign (resid 26 and name hb#) (resid 113 and name h6) 4.0 2.2 1.0
assign (resid 26 and name hb#) (resid 113 and name h5#) 3.0 1.2 1.0
assign (resid 26 and name hb#) (resid 113 and name h2') 4.0 2.2 1.0
assign (resid 26 and name hb#) (resid 113 and name h3') 4.0 2.2 2.0



assign (resid 55 and name hd1#) (resid 102 and name h6) 3.0 1.2 0.8
assign (resid 55 and name hd1#) (resid 103 and name h6) 4.0 2.2 1.5
assign (resid 55 and name hd1#) (resid 102 and name h1') 4.0 2.2 2.9
assign (resid 55 and name hd1#) (resid 102 and name h3') 3.0 1.2 0.5
assign (resid 55 and name hd1#) (resid 102 and name h2') 3.0 1.2 0.5
assign (resid 55 and name hd1#) (resid 102 and name h2'') 4.0 2.2 1.0



assign (resid 43 and name hd#) (resid 103 and name h3') 3.0 1.2 1.0
assign (resid 43 and name hd#) (resid 103 and name h5') 4.0 2.2 1.5
assign (resid 43 and name hd#) (resid 103 and name h5'') 4.0 2.2 1.5

assign (resid 43 and name hg2#) (resid 103 and name h3') 3.0 1.2 1.0
assign (resid 43 and name hg2#) (resid 104 and name h3') 4.0 2.2 1.5
assign (resid 43 and name hg2#) (resid 103 and (name h5' or name h5''))
                                                         4.0 2.2 2.5



assign (resid 52 and name hd1) (resid 103 and (name h5' or name h5''))
                           4.0 2.2 1.0
assign (resid 52 and name hd1) (resid 103 and name h6) 4.0 2.2 2.5

 
assign (resid 51 and name hd#) (resid 103 and name h5) 4.0 2.2 1.0



assign (resid 47 and name ha) (resid 116 and name h5#) 3.0 1.2 1.0
assign (resid 47 and name hb#) (resid 115 and name h5) 4.0 2.2 2.5
assign (resid 47 and name hd#) (resid 116 and name h3') 4.0 2.2 2.5
assign (resid 47 and name hd#) (resid 116 and name h5#) 4.0 2.2 1.5



assign (resid 44 and name hd#) (resid 104 and name h3') 3.0 1.2 0.5
assign (resid 44 and name hg#) (resid 104 and name h3') 3.0 1.2 0.5
assign (resid 44 and name hb#) (resid 104 and name h3') 3.0 1.2 0.5
assign (resid 44 and name hd#) (resid 104 and name h4') 4.0 2.2 1.0
assign (resid 44 and name hd#) ((resid 104 or resid 105) and name h5') 
                                                       4.0 2.2 1.0
assign (resid 44 and name hd#) (resid 104 and name h5'') 4.0 2.2 1.0



assign (resid 56 and name hd#) (resid 102 and name h3') 4.0 2.2 1.0
assign (resid 56 and name hd#) (resid 102 and name h4') 4.0 2.2 1.0
assign (resid 56 and name hd#) (resid 102 and name h5') 4.0 2.2 1.0
assign (resid 56 and name hd#) (resid 102 and name h5'') 4.0 2.2 1.0


assign (resid 45 and name he2#) (resid 105 and name h2') 4.0 2.2 1.0
assign (resid 45 and name he2#) (resid 105 and name h3') 4.0 2.2 2.0
assign (resid 45 and name he2#) (resid 105 and (name h5' or name h5''))
                                    4.0 2.2 1.0

assign (resid 27 and name hd#) (resid 115 and name h5) 4.0 2.2 1.0
assign (resid 27 and name hb#) (resid 106 and name h3') 4.0 2.2 2.0



!new minor groove stuff
assign (resid 14 and name hd#) ((resid 118) and name h1') 
                                           3.0 1.2 0.5
assign (resid 14 and name hg#) ((resid 118) and name h1') 
                                           4.0 2.2 2.0
assign (resid 14 and name hd#) (resid 117 and name h1') 4.0 2.2 1.0


assign (resid 14 and name hd#) ((resid 118) and name h4')
                                                        3.0 1.2 0.5
assign (resid 14 and name hd#) ((resid 118) and name h5')
                                                        3.0 1.2 0.5
assign (resid 14 and name hd#) ((resid 118) and name h5'')
                                                        3.0 1.2 0.5

assign (resid 14 and name he) ((resid 118) and name h4')
                                                        4.0 2.2 1.0
assign (resid 14 and name he) ((resid 118) and name h5')
                                                        4.0 1.5 2.0
assign (resid 14 and name he) ((resid 118) and name h5'')
                                                        4.0 1.5 2.0

assign (resid 14 and name hg#) ((resid 118) and name h4')
                                                       4.0 2.2 1.0
assign (resid 14 and name hg#) ((resid 118) and name h5')
                                                       4.0 2.2 1.0
assign (resid 14 and name hg#) ((resid 118) and name h5'')
                                                       4.0 2.2 1.0

assign (resid 14 and name hb#) ((resid 118) and name h5')
                                                       4.0 2.2 1.0
assign (resid 14 and name hb#) ((resid 118) and 
                              (name h5'')) 4.0 2.2 1.0






assign (resid 16 and name he#) (resid 106 and name h1') 4.0 2.2 2.0
assign (resid 16 and name he#) (resid 105 and name h2) 3.0 1.2 0.5

assign (resid 16 and name he#) (( resid 106) and name h4') 
                                             4.0 2.2 1.0
assign (resid 16 and name he#) (( resid 106) and 
                                 (name h5' or name h5'')) 4.0 2.2 1.0

assign (resid 16 and name hd#) (( resid 106) and name h4') 
                                             4.0 2.2 1.0
assign (resid 16 and name hd#) (( resid 106) and 
                                 (name h5' or name h5'')) 4.0 2.2 1.0

assign (resid 16 and name hg#) (( resid 106) and name h4') 
                                             4.0 2.2 1.0
assign (resid 16 and name hg#) (( resid 106) and 
                                 (name h5' or name h5'')) 4.0 2.2 1.0

assign (resid 16 and name hb#) (( resid 106) and name h4') 
                                             4.0 2.2 2.0
assign (resid 16 and name hb#) (( resid 106) and 
                                 (name h5' or name h5'')) 4.0 2.2 1.0



assign (resid 21 and name hg2#) ((resid 106) and (name h4')) 4.0 2.2 1.5
assign (resid 21 and name hg2#) ((resid 106) and (name h5')) 4.0 2.2 1.5
assign (resid 21 and name hg2#) ((resid 106) and (name h5'')) 4.0 2.2 1.5



assign (resid 23 and name he#) (resid 106 and name h8) 4.0 2.2 1.0
assign (resid 23 and name he#) (resid 106 and name h3') 4.0 2.2 1.0



B. hbond restraints
!helices
assign (resid 46 and name o) (resid 50 and name n) 2.8 0.4 0.7
assign (resid 47 and name o) (resid 51 and name n) 2.8 0.4 0.7
assign (resid 48 and name o) (resid 52 and name n) 2.8 0.4 0.7
assign (resid 49 and name o) (resid 53 and name n) 2.8 0.4 0.7
assign (resid 50 and name o) (resid 54 and name n) 2.8 0.4 0.7

assign (resid 46 and name o) (resid 50 and name hn) 1.8 0.4 0.7
assign (resid 47 and name o) (resid 51 and name hn) 1.8 0.4 0.7
assign (resid 48 and name o) (resid 52 and name hn) 1.8 0.4 0.7
assign (resid 49 and name o) (resid 53 and name hn) 1.8 0.4 0.7
assign (resid 50 and name o) (resid 54 and name hn) 1.8 0.4 0.7

assign (resid 51 and name o) (resid 55 and name n)  2.8 0.4 0.7
assign (resid 51 and name o) (resid 55 and name hn) 1.8 0.4 0.7


!sheets
assign (resid 43 and name o) (resid 34 and name n)  2.8 0.4 0.7
assign (resid 43 and name o) (resid 34 and name hn) 1.8 0.4 0.7

assign (resid 34 and name o) (resid 43 and name n)  2.8 0.4 0.7
assign (resid 34 and name o) (resid 43 and name hn) 1.8 0.4 0.7

assign (resid 41 and name o) (resid 36 and name n)  2.8 0.4 0.7
assign (resid 41 and name o) (resid 36 and name hn) 1.8 0.4 0.7


!
assign (resid 45 and name o) (resid 49 and name n)  2.8 0.4 0.9
assign (resid 45 and name o) (resid 49 and name hn) 1.8 0.4 0.9

assign (resid 52 and name o) (resid 56 and name n)  2.8 0.4 0.9
assign (resid 52 and name o) (resid 56 and name hn) 1.8 0.4 0.9

assign (resid 53 and name o) (resid 58 and name n)  2.8 0.4 0.7
assign (resid 53 and name o) (resid 58 and name hn) 1.8 0.4 0.7


remarks gccgagagtac gaga dna Hbonds

!****GC base pairs
!BP 1
assign (resid 101 and name n1) (resid 122 and name n3) 2.95 .2 .2
assign (resid 101 and name H1) (resid 122 and name n3) 1.95 0.2 0.2
assign (resid 101 and name o6) (resid 122 and name n4) 2.91 .2 .2
assign (resid 101 and name o6) (resid 122 and name hn*) 1.91 .2 .2
assign (resid 101 and name n2) (resid 122 and name o2) 2.86 .2 .2
assign (resid 101 and name hn*) (resid 122 and name o2) 1.86 0.2 0.2
!BP 2
assign (resid 121 and name n1) (resid 102 and name n3) 2.95 .2 .2
assign (resid 121 and name h1) (resid 102 and name n3) 1.95 0.2 0.2
assign (resid 121 and name o6) (resid 102 and name n4) 2.91 .2 .2
assign (resid 121 and name o6) (resid 102 and name hn*) 1.91 .2 .2
assign (resid 121 and name n2) (resid 102 and name o2) 2.86 .2 .2
assign (resid 121 and name hn*) (resid 102 and name o2) 1.86 0.2 0.2
!BP 3
assign (resid 120 and name n1) (resid 103 and name n3) 2.95 .2 .2
assign (resid 120 and name h1) (resid 103 and name n3) 1.95 0.2 0.2
assign (resid 120 and name o6) (resid 103 and name n4) 2.91 .2 .2
assign (resid 120 and name o6) (resid 103 and name hn*) 1.91 .2 .2
assign (resid 120 and name n2) (resid 103 and name o2) 2.86 .2 .2
assign (resid 120 and name hn*) (resid 103 and name o2) 1.86 0.2 0.2
!BP 4
assign (resid 104 and name n1) (resid 119 and name n3) 2.95 .2 .2
assign (resid 104 and name h1) (resid 119 and name n3) 1.95 0.2 0.2
assign (resid 104 and name o6) (resid 119 and name n4) 2.91 .2 .2
assign (resid 104 and name o6) (resid 119 and name hn*) 1.91 .2 .2
assign (resid 104 and name n2) (resid 119 and name o2) 2.86 .2 .2
assign (resid 104 and name hn*) (resid 119 and name o2) 1.86 0.2 0.2

!BP 6
assign (resid 106 and name n1) (resid 117 and name n3) 2.95 .2 .2
assign (resid 106 and name h1) (resid 117 and name n3) 1.95 0.2 0.2
assign (resid 106 and name o6) (resid 117 and name n4) 2.91 .2 .2
assign (resid 106 and name o6) (resid 117 and name hn*) 1.91 .2 .2
assign (resid 106 and name n2) (resid 117 and name o2) 2.86 .2 .2
assign (resid 106 and name hn*) (resid 117 and name o2) 1.86 0.2 0.2

!BP 8
assign (resid 108 and name n1) (resid 115 and name n3) 2.95 .2 0.4
assign (resid 108 and name h1) (resid 115 and name n3) 1.95 0.2 0.4
assign (resid 108 and name o6) (resid 115 and name n4) 2.91 0.2 0.4
assign (resid 108 and name o6) (resid 115 and name hn*) 1.91 .2 0.4
assign (resid 108 and name n2) (resid 115 and name o2) 2.86 .2 0.4
assign (resid 108 and name hn*) (resid 115 and name o2) 1.86 0.2 0.4

!BP 11
assign (resid 112 and name n1) (resid 111 and name n3) 2.95 .2 .2
assign (resid 112 and name h1) (resid 111 and name n3) 1.95 0.2 0.2
assign (resid 112 and name o6) (resid 111 and name n4) 2.91 .2 .2
assign (resid 112 and name o6) (resid 111 and name hn*) 1.91 .2 .2
assign (resid 112 and name n2) (resid 111 and name o2) 2.86 .2 .2
assign (resid 112 and name hn*) (resid 111 and name o2) 1.86 0.2 0.2

!***AT base pairs
!BP 5
assign (resid 105 and name n1) (resid 118 and name n3) 2.82 .2 .2
assign (resid 105 and name n1) (resid 118 and name h3) 1.82 .2 .2
assign (resid 105 and name n6) (resid 118 and name o4) 2.95 .2 .2
assign (resid 105 and name hn*) (resid 118 and name o4) 1.95 0.2 0.2

!BP 7
assign (resid 107 and name n1) (resid 116 and name n3) 2.82 .2 .2 !*
assign (resid 107 and name n1) (resid 116 and name h3) 1.82 .2 .2 !*
assign (resid 107 and name n6) (resid 116 and name o4) 2.95 .2 .2 !*
assign (resid 107 and name hn*) (resid 116 and name o4) 1.95 0.2 0.2 !*
 
!BP 9
assign (resid 114 and name n1) (resid 109 and name n3) 2.82 .2 .2 !*
assign (resid 114 and name n1) (resid 109 and name h3) 1.82 .2 .2 !*
assign (resid 114 and name n6) (resid 109 and name o4) 2.95 .2 .2 !*
assign (resid 114 and name hn*) (resid 109 and name o4) 1.95 0.2 0.2 !*

!BP 10
assign (resid 110 and name n1) (resid 113 and name n3) 2.82 .2 .2 !*
assign (resid 110 and name n1) (resid 113 and name h3) 1.82 .2 .2
assign (resid 110 and name n6) (resid 113 and name o4) 2.95 .2 .2
assign (resid 110 and name hn*) (resid 113 and name o4) 1.95 0.2 0.2



!attractive component
assign (resid 51 and name nh1) 
  (  (name o6 and (resid 104 or resid 120))
   or (name n7 and (resid 104 or resid 105 or resid 120))
   or (name o4 and resid 118) )
2.8 0.4 0.5


assign (resid 51 and name nh2) 
  (  (name o6 and (resid 104 or resid 120))
   or (name n7 and (resid 104 or resid 105 or resid 120))
   or (name o4 and resid 118) )
2.8 0.4 0.5

assign (resid 47 and name nh1) 
  (  (name o6 and (resid 106))
   or (name n7 and (resid 106 or resid 107 or resid 105))
   or (name o4 and (resid 118 or resid 116) ))
2.8 0.4 0.5

assign (resid 47 and name nh2) 
  (  (name o6 and (resid 106))
   or (name n7 and (resid 106 or resid 107 or resid 105))
   or (name o4 and (resid 118 or resid 116) ))
2.8 0.4 0.5




assign (resid 27 and name nh1) 
  (  (name o6 and (resid 108))
   or (name n7 and (resid 108 or resid 107 or resid 114))
   or (name o4 and (resid 109 or resid 116) ))
2.8 0.4 0.5

assign (resid 27 and name nh2) 
  (  (name o6 and (resid 108))
   or (name n7 and (resid 108 or resid 107 or resid 114))
   or (name o4 and (resid 109 or resid 116) ))
2.8 0.4 0.5


assign (resid 14 and name nh1) 
  (  (name n3 and ( resid 107 or resid 106 or resid 108))
   or (name o2 and (resid 115 or resid 116 or resid 117)) )
2.8 0.4 0.5

assign (resid 14 and name nh2) 
  (  (name n3 and (resid 107 or resid 106 or resid 108))
   or (name o2 and (resid 115 or resid 116 or resid 117)) )
2.8 0.4 0.5


assign (resid 48 and name nd2)
  ( (name n7 and (resid 104 or resid 105 or resid 106))
or (name o6 and (resid 104 or resid 106))
    or (name o4 and resid 118) )
2.8 0.4 0.5

assign (resid 48 and name od1)
  ( (name n6 and resid 105)
 or (name n4 and (resid 117 or resid 119)) )
2.8 0.4 0.5







!h distances

{assign (resid 48 and name od1)
   ((name hn' or name hn'') and (resid 105 or resid 117 or resid 119))
1.8 0.4 0.3



assign (resid 51 and name hh1#) 
  (  (name o6 and (resid 104 or resid 120))
   or (name n7 and (resid 104 or resid 105 or resid 120))
   or (name o4 and resid 118) )
1.8 0.4 0.4


assign (resid 51 and name hh2#) 
  (  (name o6 and (resid 104 or resid 120))
   or (name n7 and (resid 104 or resid 105 or resid 120))
   or (name o4 and resid 118) )
1.8 0.4 0.4

assign (resid 47 and name hh1#) 
  (  (name o6 and (resid 106))
   or (name n7 and (resid 106 or resid 107 or resid 105))
   or (name o4 and (resid 118 or resid 116) ))
1.8 0.4 0.4

assign (resid 47 and name hh2#) 
  (  (name o6 and (resid 106))
   or (name n7 and (resid 106 or resid 107 or resid 105))
   or (name o4 and (resid 118 or resid 116) ))
1.8 0.4 0.4




assign (resid 27 and name hh1#) 
  (  (name o6 and (resid 108))
   or (name n7 and (resid 108 or resid 107 or resid 114))
   or (name o4 and (resid 109 or resid 116) ))
1.8 0.4 0.4

assign (resid 27 and name hh2#) 
  (  (name o6 and (resid 108))
   or (name n7 and (resid 108 or resid 107 or resid 114))
   or (name o4 and (resid 109 or resid 116) ))
1.8 0.4 0.4


assign (resid 14 and name hh1#) 
  (  (name n3 and ( resid 107 or resid 106 or resid 108))
   or (name o2 and (resid 115 or resid 116 or resid 117)) )
1.8 0.4 0.4

assign (resid 14 and name hh2#) 
  (  (name n3 and (resid 107 or resid 106 or resid 108))
   or (name o2 and (resid 115 or resid 116 or resid 117)) )
1.8 0.4 0.4


assign (resid 48 and name hd2#)
  ( (name n7 and (resid 104 or resid 105 or resid 106))
or (name o6 and (resid 104 or resid 106))
  or (name o4 and resid 118) )
1.8 0.4 0.4
}

!repulsive component

assign (resid 51 and name nh1) (name n6 and resid 105) 4.1 0.1 10.0
assign (resid 51 and name nh1) (name n4 and resid 103) 4.1 0.1 10.0
assign (resid 51 and name nh1) (name n4 and resid 119) 4.1 0.1 10.0

assign (resid 51 and name nh2) (name n6 and resid 105) 4.1 0.1 10.0
assign (resid 51 and name nh2) (name n4 and resid 103) 4.1 0.1 10.0
assign (resid 51 and name nh2) (name n4 and resid 119) 4.1 0.1 10.0

assign (resid 51 and name ne) (name n6 and resid 105) 4.1 0.1 10.0
assign (resid 51 and name ne) (name n4 and resid 103) 4.1 0.1 10.0
assign (resid 51 and name ne) (name n4 and resid 119) 4.1 0.1 10.0

assign (resid 47 and name nh1) (name n6 and resid 105) 4.1 0.1 10.0
assign (resid 47 and name nh1) (name n6 and resid 107) 4.1 0.1 10.0
assign (resid 47 and name nh1) (name n4 and resid 117) 4.1 0.1 10.0

assign (resid 47 and name nh2) (name n6 and resid 105) 4.1 0.1 10.0
assign (resid 47 and name nh2) (name n6 and resid 107) 4.1 0.1 10.0
assign (resid 47 and name nh2) (name n4 and resid 117) 4.1 0.1 10.0

assign (resid 47 and name ne) (name n6 and resid 105) 4.1 0.1 10.0
assign (resid 47 and name ne) (name n6 and resid 107) 4.1 0.1 10.0
assign (resid 47 and name ne) (name n4 and resid 117) 4.1 0.1 10.0

assign (resid 27 and name nh1) (name n6 and resid 114) 4.1 0.1 10.0
assign (resid 27 and name nh1) (name n6 and resid 107) 4.1 0.1 10.0
assign (resid 27 and name nh1) (name n4 and resid 115) 4.1 0.1 10.0

assign (resid 27 and name nh2) (name n6 and resid 114) 4.1 0.1 10.0
assign (resid 27 and name nh2) (name n6 and resid 107) 4.1 0.1 10.0
assign (resid 27 and name nh2) (name n4 and resid 115) 4.1 0.1 10.0

assign (resid 27 and name ne) (name n6 and resid 114) 4.1 0.1 10.0
assign (resid 27 and name ne) (name n6 and resid 107) 4.1 0.1 10.0
assign (resid 27 and name ne) (name n4 and resid 115) 4.1 0.1 10.0


assign (resid 14 and name nh1) (name n2 and resid 106) 4.1 0.1 10.0
assign (resid 14 and name nh1) (name n2 and resid 108) 4.1 0.1 10.0
assign (resid 14 and name nh2) (name n2 and resid 106) 4.1 0.1 10.0
assign (resid 14 and name nh2) (name n2 and resid 108) 4.1 0.1 10.0
assign (resid 14 and name ne) (name n2 and resid 106) 4.1 0.1 10.0
assign (resid 14 and name ne) (name n2 and resid 108) 4.1 0.1 10.0

assign (resid 48 and name nd2) (name n6 and resid 105) 4.1 0.1 10.0
assign (resid 48 and name nd2) (name n4 and resid 117) 4.1 0.1 10.0
assign (resid 48 and name nd2) (name n4 and resid 119) 4.1 0.1 10.0

assign (resid 48 and name od1) (name n7 and resid 104) 4.1 0.1 10.0
assign (resid 48 and name od1) (name n7 and resid 105) 4.1 0.1 10.0
assign (resid 48 and name od1) (name n7 and resid 106) 4.1 0.1 10.0
assign (resid 48 and name od1) (name o4 and resid 118) 4.1 0.1 10.0


C. J couplings

!remark phi angle coupling constants

  !!    p10
  !!    k11
 assign (resid 10 and name c ) (resid 11 and name n ) 
        (resid 11 and name ca) (resid 11 and name c )     6.9 0.5 
  !!    a12
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )     5.4 0.5 
  !!    k13
 assign (resid 12 and name c ) (resid 13 and name n ) 
        (resid 13 and name ca) (resid 13 and name c )     7.0 0.5 
  !!    r14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )     7.4 0.5 
  !!    a15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )     7.6 0.5 
  !!    k16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c )     6.9 0.5 
  !!    h17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c )     7.2 0.5 
  !!    p18
  !!    p19
  !!    g20

  !!    t21
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )     8.8 0.5 
  !!    e22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )     6.8 0.5 
  !!    k23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )     7.1 0.5
  !!    p24
  !!    r25
assign (resid 24 and name c ) (resid 25 and name n )
       (resid 25 and name ca) (resid 25 and name c )     5.5 0.5
  !!    s26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c )     5.2 0.5 
  !!    s28
  !!    q29
  !!    s30
  !!    e31
  !!    q32
  !!    p33
  !!    a34
 assign (resid 33 and name c ) (resid 34 and name n )
        (resid 34 and name ca) (resid 34 and name c )     8.9 0.5
  !!    t35
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )     9.6 0.5
  !!    i38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c )    9.5 0.5 
  !!    c39
assign (resid 38 and name c ) (resid 39 and name n )
       (resid 39 and name ca) (resid 39 and name c )     10.8 0.5
  !!    y40
 assign (resid 39 and name c ) (resid 40 and name n )
        (resid 40 and name ca) (resid 40 and name c )     6.9 0.5
  !!    a41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )     3.4 0.5 
  !!    v42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )     9.1 0.5 
  !!    i43
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )     9.3 0.5 
  !!    r44
  !!    q45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )     6.0 0.5 
  !!    s46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )     4.9 0.5 
  !!    r50
assign (resid 49 and name c ) (resid 50 and name n ) 
       (resid 50 and name ca) (resid 50 and name c )     4.1 0.5 
  !!    h52
 assign (resid 51 and name c ) (resid 52 and name n ) 
        (resid 52 and name ca) (resid 52 and name c )     5.0 0.5 
  !!    e54
 assign (resid 53 and name c ) (resid 54 and name n )
        (resid 54 and name ca) (resid 54 and name c )     5.4 0.5
  !!    r56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )     9.0 0.5 
  !!    h57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )     8.0 0.5 
  !!    f58
 assign (resid 57 and name c ) (resid 58 and name n )
        (resid 58 and name ca) (resid 58 and name c )     7.0 0.5
  !!    a59
 assign (resid 58 and name c ) (resid 59 and name n ) 
         (resid 59 and name ca) (resid 59 and name c )     6.1 0.5 
  !!    k60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )     8.1 0.5 
  !!    v63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )     9.3 0.5 

!Gly 20
ASSIgn (resid 20 and name ha1) 
       (resid 20 and name ca) 
       (resid 20 and name n) 
       (resid 20 and name hn) 
       (resid 20 and name ha2) 
       (resid 20 and name ca) 
       (resid 20 and name n) 
       (resid 20 and name hn) 
 6.53 0.5 
 6.05 0.5 


D. Secondary 13C shifts

!remark Ca and Cb shifts

  !!    k11
 assign (resid 10 and name c ) (resid 11 and name n ) 
        (resid 11 and name ca) (resid 11 and name c ) 
	(resid 12 and name n )    			  56.54 33.39
  !!    a12
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )   
	(resid 13 and name n )  		          52.37 19.77
  !!    k13
 assign (resid 12 and name c ) (resid 13 and name n ) 
        (resid 13 and name ca) (resid 13 and name c )
	(resid 14 and name n )     			  56.42 33.42
  !!    r14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )
	(resid 15 and name n )     			  56.12 31.35
  !!    a15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )
	(resid 16 and name n )     			  52.88 19.64
  !!    k16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c ) 
	(resid 17 and name n )    			  56.19 33.53
  !!    h17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c ) 
	(resid 18 and name n )    			  53.63 29.28
  !!    p18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )
	(resid 19 and name n )     			  61.78 31.00
  !!    p19
assign  (resid 18 and name c ) (resid 19 and name n )
        (resid 19 and name ca) (resid 19 and name c )
        (resid 20 and name n )     			  63.60 32.27
  !!    g20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )
	(resid 21 and name n )     			  45.67 0.00
  !!    t21
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )
	(resid 22 and name n )     			  62.18 70.03
  !!    e22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )
	(resid 23 and name n )     		          56.71 30.47
  !!    k23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )
	(resid 24 and name n ) 		          	  54.23 32.66
  !!    p24
 assign (resid 23 and name c ) (resid 24 and name n )
        (resid 24 and name ca) (resid 24 and name c )
	(resid 25 and name n )   			  63.39 32.26
  !!    r25
 assign (resid 24 and name c ) (resid 25 and name n )
        (resid 25 and name ca) (resid 25 and name c )
	(resid 26 and name n )   			  56.45 31.09
  !!    s26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c ) 
	(resid 27 and name n )    			  58.64 64.15
  !!    r27
 assign (resid 26 and name c ) (resid 27 and name n )
        (resid 27 and name ca) (resid 27 and name c )
	(resid 28 and name n )     			  55.83 30.64
  !!    s28
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )
	(resid 29 and name n )    			  58.54 64.02
  !!    q29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c ) 
	(resid 30 and name n )    			  59.05 28.79
  !!    s30
 assign (resid 29 and name c ) (resid 30 and name n )
        (resid 30 and name ca) (resid 30 and name c )
        (resid 31 and name n )    			  61.13 63.78
  !!    e31
assign (resid 30 and name c ) (resid 31 and name n )
       (resid 31 and name ca) (resid 31 and name c )
       (resid 32 and name n )    			  55.25 31.38
  !!    q32
assign (resid 31 and name c ) (resid 32 and name n ) 
       (resid 32 and name ca) (resid 32 and name c ) 
       (resid 33 and name n )    			  53.49 29.12
  !!    p33
 assign (resid 32 and name c ) (resid 33 and name n )
        (resid 33 and name ca) (resid 33 and name c )
        (resid 34 and name n )    			  63.45 33.34
  !!    a34
 assign (resid 33 and name c ) (resid 34 and name n )
        (resid 34 and name ca) (resid 34 and name c )
        (resid 35 and name n )    			  50.75 24.26
  !!    t35
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )
        (resid 36 and name n )    			  60.82 70.39
  !!    p37
 assign (resid 36 and name c ) (resid 37 and name n ) 
       (resid 37 and name ca) (resid 37 and name c )   
 	(resid 38 and name n )  			  64.07 32.41
  !!    i38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c ) 
	(resid 39 and name n )    			  63.10 39.05
  !!    y40
 assign (resid 39 and name c ) (resid 40 and name n )
        (resid 40 and name ca) (resid 40 and name c )
        (resid 41 and name n )    			  59.83 34.67
  !!    a41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )  
	(resid 42 and name n )   			  53.29 20.12
  !!    v42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c ) 
	(resid 43 and name n )    			  62.42 32.59
  !!    i43
assign (resid 42 and name c ) (resid 43 and name n ) 
       (resid 43 and name ca) (resid 43 and name c )
       (resid 44 and name n )     			  57.57 37.20
  !!    r44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c ) 
	(resid 45 and name n )    			  60.48 29.41
  !!    q45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )
	(resid 46 and name n )     			  56.79 29.02
  !!    s46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )
	(resid 47 and name n )     			  62.43 63.09
  !!    r47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )
	(resid 48 and name n )     			  57.98 29.33
  !!    n48
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )
	(resid 49 and name n )     			  53.65 38.84
  !!    l49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c ) 
	(resid 50 and name n )    			  59.05 41.70
  !!    r50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )
	(resid 51 and name n )     			  61.07 29.08
  !!    r51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )
	(resid 52 and name n )     			  59.71 30.86
  !!    l53
 assign (resid 52 and name c ) (resid 53 and name n ) 
        (resid 53 and name ca) (resid 53 and name c ) 
	(resid 54 and name n )    			  59.33 42.30
  !!    e54
 assign (resid 53 and name c ) (resid 54 and name n )
        (resid 54 and name ca) (resid 54 and name c )
	(resid 55 and name n )     			  59.88 30.08
  !!    l55
 assign (resid 54 and name c ) (resid 55 and name n )
        (resid 55 and name ca) (resid 55 and name c ) 
	(resid 56 and name n )    			  57.12 42.65
  !!    r56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )
	(resid 57 and name n )     			  55.27 28.69
  !!    f58
 assign (resid 57 and name c ) (resid 58 and name n )
        (resid 58 and name ca) (resid 58 and name c )
	(resid 59 and name n )     			  57.25 38.72
  !!    a59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )
	(resid 60 and name n )     			  52.37 19.67
  !!    k60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )
	(resid 61 and name n )     			  54.11 32.95
  !!    p61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )
	(resid 62 and name n )     			  63.64 32.38
  !!    g62
 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c ) 
	(resid 63 and name n )    			  45.73 0.00


E. Torsion angle restraints
!! 11 lys
assign (resid 10 and name c )    (resid 11 and name n)
       (resid 11 and name ca)    (resid 11 and name c)  1.0 -90.0 65.0 2
!! 12 ala
assign (resid 11 and name c )    (resid 12 and name n)
       (resid 12 and name ca)    (resid 12 and name c)  1.0 -90.0 65.0 2
!! 13 lys
assign (resid 12 and name c )    (resid 13 and name n)
       (resid 13 and name ca)    (resid 13 and name c)  1.0 -90.0 65.0 2
!! 14 arg
assign (resid 13 and name c )    (resid 14 and name n)
       (resid 14 and name ca)    (resid 14 and name c)  1.0 -85.0 15.0 2
!! 15 ala
assign (resid 14 and name c )    (resid 15 and name n)
       (resid 15 and name ca)    (resid 15 and name c)  1.0 -90.0 15.0 2
!! 16 lys
assign (resid 15 and name c )    (resid 16 and name n)
       (resid 16 and name ca)    (resid 16 and name c)  1.0 -90.0 15.0 2
!! 17 his
assign (resid 16 and name c )    (resid 17 and name n)
       (resid 17 and name ca)    (resid 17 and name c)  1.0 -80.0 20.0 2

!! 18 pro
assign (resid 17 and name c )    (resid 18 and name n)
       (resid 18 and name ca)    (resid 18 and name c)  1.0 -65.0 20.0 2
!! 19 pro
assign (resid 18 and name c )    (resid 19 and name n)
       (resid 19 and name ca)    (resid 19 and name c)  1.0 -65.0 20.0 2
!! 20 gly
assign (resid 19 and name c )    (resid 20 and name n)
       (resid 20 and name ca)    (resid 20 and name c)  1.0 80.0 20.0 2
!! 21 thr
assign (resid 20 and name c )    (resid 21 and name n)
       (resid 21 and name ca)    (resid 21 and name c)  1.0 -90.0 20.0 2
!! 22 glu
assign (resid 21 and name c )    (resid 22 and name n)
       (resid 22 and name ca)    (resid 22 and name c)  1.0 -70.0 20.0 2
!! 23 lys
assign (resid 22 and name c )    (resid 23 and name n)
       (resid 23 and name ca)    (resid 23 and name c)  1.0 -90.0 15.0 2 
!! 24 pro
assign (resid 23 and name c )    (resid 24 and name n)
       (resid 24 and name ca)    (resid 24 and name c)  1.0 -65.0 20.0 2
!! 25 arg
assign (resid 24 and name c )    (resid 25 and name n)
       (resid 25 and name ca)    (resid 25 and name c)  1.0 -70.0 20.0 2
!! 26 ser
assign (resid 25 and name c )    (resid 26 and name n)
       (resid 26 and name ca)    (resid 26 and name c)  1.0 -70.0 20.0 2
!! 27 arg
assign (resid 26 and name c )    (resid 27 and name n)
       (resid 27 and name ca)    (resid 27 and name c)  1.0 -100.0 50.0 2
!! 28 ser
assign (resid 27 and name c )    (resid 28 and name n)
       (resid 28 and name ca)    (resid 28 and name c)  1.0 -100.0 10.0 2
!! 29 gln
assign (resid 28 and name c )    (resid 29 and name n)
       (resid 29 and name ca)    (resid 29 and name c)  1.0 -70.0 10.0 2
!! 30 ser
assign (resid 29 and name c )    (resid 30 and name n)
       (resid 30 and name ca)    (resid 30 and name c)  1.0 -60.0 20.0 2
!! 31 glu
assign (resid 30 and name c )    (resid 31 and name n)
       (resid 31 and name ca)    (resid 31 and name c)  1.0 -75.0 20.0 2
!! 32 gln
assign (resid 31 and name c )    (resid 32 and name n)
       (resid 32 and name ca)    (resid 32 and name c)  1.0 -135.0 20.0 2
!! 33 pro
assign (resid 32 and name c )    (resid 33 and name n)
       (resid 33 and name ca)    (resid 33 and name c)  1.0 -55.0 20.0 2
!! 34 ala
assign (resid 33 and name c )    (resid 34 and name n)
       (resid 34 and name ca)    (resid 34 and name c)  1.0 -145.0 20.0 2
!! 35 thr
assign (resid 34 and name c )    (resid 35 and name n)
       (resid 35 and name ca)    (resid 35 and name c)  1.0 -100.0 15.0 2
!! 36 cys
assign (resid 35 and name c )    (resid 36 and name n)
       (resid 36 and name ca)    (resid 36 and name c)  1.0 -90.0 15.0 2

!! 37 pro
assign (resid 36 and name c )    (resid 37 and name n)
       (resid 37 and name ca)    (resid 37 and name c)  1.0 -70.0 15.0 2
!! 38 ile
assign (resid 37 and name c )    (resid 38 and name n)
       (resid 38 and name ca)    (resid 38 and name c)  1.0 -100.0 15.0 2
!! 39 cys
assign (resid 38 and name c )    (resid 39 and name n)
       (resid 39 and name ca)    (resid 39 and name c)  1.0 -120.0 15.0 2
!! 40 tyr
assign (resid 39 and name c )    (resid 40 and name n)
       (resid 40 and name ca)    (resid 40 and name c)  1.0 55.0 15.0 2
!! 41 ala
assign (resid 40 and name c )    (resid 41 and name n)
       (resid 41 and name ca)    (resid 41 and name c)  1.0 -60.0 15.0 2
!! 42 val
assign (resid 41 and name c )    (resid 42 and name n)
       (resid 42 and name ca)    (resid 42 and name c)  1.0 -95.0 15.0 2
!! 43 ile
assign (resid 42 and name c )    (resid 43 and name n)
       (resid 43 and name ca)    (resid 43 and name c)  1.0 -115.0 15.0 2
!! 44 arg
assign (resid 43 and name c )    (resid 44 and name n)
       (resid 44 and name ca)    (resid 44 and name c)  1.0 -60.0 15.0 2
!! 45 gln
assign (resid 44 and name c )    (resid 45 and name n)
       (resid 45 and name ca)    (resid 45 and name c)  1.0 -70.0 15.0 2
!! 46 ser
assign (resid 45 and name c )    (resid 46 and name n)
       (resid 46 and name ca)    (resid 46 and name c)  1.0 -70.0 15.0 2
!! 47 arg
assign (resid 46 and name c )    (resid 47 and name n)
       (resid 47 and name ca)    (resid 47 and name c)  1.0 -60.0 15.0 2
!! 48 asn
assign (resid 46 and name c )    (resid 47 and name n)
       (resid 47 and name ca)    (resid 47 and name c)  1.0 -60.0 15.0 2
!! 49 leu
assign (resid 48 and name c )    (resid 49 and name n)
       (resid 49 and name ca)    (resid 49 and name c)  1.0 -60.0 15.0 2
!! 50 arg
assign (resid 49 and name c )    (resid 50 and name n)
       (resid 50 and name ca)    (resid 50 and name c)  1.0 -55.0 15.0 2
!! 51 arg
assign (resid 50 and name c )    (resid 51 and name n)
       (resid 51 and name ca)    (resid 51 and name c)  1.0 -65.0 15.0 2
!! 52 his
assign (resid 51 and name c )    (resid 52 and name n)
       (resid 52 and name ca)    (resid 52 and name c)  1.0 -65.0 15.0 2
!! 53 leu
assign (resid 52 and name c )    (resid 53 and name n)
       (resid 53 and name ca)    (resid 53 and name c)  1.0 -60.0 15.0 2
!! 54 glu
assign (resid 53 and name c )    (resid 54 and name n)
       (resid 54 and name ca)    (resid 54 and name c)  1.0 -75.0 15.0 2
!! 55 leu
assign (resid 54 and name c )    (resid 55 and name n)
       (resid 55 and name ca)    (resid 55 and name c)  1.0 -95.0 15.0 2
!! 56 arg
assign (resid 55 and name c )    (resid 56 and name n)
       (resid 56 and name ca)    (resid 56 and name c)  1.0 -120.0 15.0 2
!! 57 his
assign (resid 56 and name c )    (resid 57 and name n)
       (resid 57 and name ca)    (resid 57 and name c)  1.0 -150.0 15.0 2
!! 58 phe
assign (resid 57 and name c )    (resid 58 and name n)
       (resid 58 and name ca)    (resid 58 and name c)  1.0 -80.0 15.0 2
!! 59 ala
assign (resid 58 and name c )    (resid 59 and name n)
       (resid 59 and name ca)    (resid 59 and name c)  1.0 -70.0 15.0 2
!! 60 lys
assign (resid 59 and name c )    (resid 60 and name n)
       (resid 60 and name ca)    (resid 60 and name c)  1.0 -75.0 15.0 2
!! 61 pro
assign (resid 60 and name c )    (resid 61 and name n)
       (resid 61 and name ca)    (resid 61 and name c)  1.0 -70.0 20.0 2
!! 62 gly
assign (resid 61 and name c )    (resid 62 and name n)
       (resid 62 and name ca)    (resid 62 and name c)  1.0 -90.0 85.0 2
!! 63 val
assign (resid 62 and name c )    (resid 63 and name n)
       (resid 63 and name ca)    (resid 63 and name c)  1.0 -110.0 25.0 2

!! Chi1 angle restraints: minimum deviation = 20 degrees

!! 14 arg
assign (resid 14 and name n )    (resid 14 and name ca)
       (resid 14 and name cb)    (resid 14 and name cg)  1.0 -60.0 20.0 2
!!! 17 his
assign (resid 17 and name n )    (resid 17 and name ca)
       (resid 17 and name cb)    (resid 17 and name cg)  1.0 -120.0 80.0 2
!! 21 thr
assign (resid 21 and name n )    (resid 21 and name ca)
       (resid 21 and name cb)    (resid 21 and name og1)  1.0 180.0 20.0 2
!! 22 glu
assign (resid 22 and name n )    (resid 22 and name ca)
       (resid 22 and name cb)    (resid 22 and name cg)  1.0 -60.0 20.0 2
!! 23 lys
assign (resid 23 and name n )    (resid 23 and name ca)
       (resid 23 and name cb)    (resid 23 and name cg)  1.0 -60.0 20.0 2
!! 25 arg
assign (resid 25 and name n )    (resid 25 and name ca)
       (resid 25 and name cb)    (resid 25 and name cg)  1.0 -120.0 80.0 2 
!! 26 ser
assign (resid 26 and name n )    (resid 26 and name ca)
       (resid 26 and name cb)    (resid 26 and name og)  1.0 -60.0 20.0 2 
!! 27 arg
assign (resid 27 and name n )    (resid 27 and name ca)
       (resid 27 and name cb)    (resid 27 and name cg)  1.0 -60.0 20.0 2 
!! 28 ser
assign (resid 28 and name n )    (resid 28 and name ca)
       (resid 28 and name cb)    (resid 28 and name og)  1.0  60.0 20.0 2 
!! 30 ser
assign (resid 30 and name n )    (resid 30 and name ca)
       (resid 30 and name cb)    (resid 30 and name og)  1.0 -60.0 20.0 2 
!! 31 glu
assign (resid 31 and name n )    (resid 31 and name ca)
       (resid 31 and name cb)    (resid 31 and name cg)  1.0 -60.0 20.0 2 
!! 32 gln
assign (resid 32 and name n )    (resid 32 and name ca)
       (resid 32 and name cb)    (resid 32 and name cg)  1.0 -60.0 20.0 2 
!! 35 thr
assign (resid 35 and name n )    (resid 35 and name ca)
       (resid 35 and name cb)    (resid 35 and name og1)  1.0 -60.0 20.0 2
!! 36 cys
assign (resid 36 and name n )    (resid 36 and name ca)
       (resid 36 and name cb)    (resid 36 and name sg)  1.0 180.0 20.0 2
!! 38 ile
assign (resid 38 and name n )    (resid 38 and name ca)
       (resid 38 and name cb)    (resid 38 and name cg1)  1.0 -60.0 20.0 2
!! 39 cys
assign (resid 39 and name n )    (resid 39 and name ca)
       (resid 39 and name cb)    (resid 39 and name sg)  1.0 60.0 20.0 2
!! 40 tyr
assign (resid 40 and name n )    (resid 40 and name ca)
       (resid 40 and name cb)    (resid 40 and name cg)  1.0 -60.0 20.0 2
!! 42 val
assign (resid 42 and name n )    (resid 42 and name ca)
       (resid 42 and name cb)    (resid 42 and name cg1)  1.0 180.0 20.0 2 
!! 43 ile
assign (resid 43 and name n )    (resid 43 and name ca)
       (resid 43 and name cb)    (resid 43 and name cg1)  1.0 -60.0 20.0 2
!! 44 arg
assign (resid 44 and name n )    (resid 44 and name ca)
       (resid 44 and name cb)    (resid 44 and name cg)  1.0 -60.0 20.0 2 
!! 45 gln
assign (resid 45 and name n )    (resid 45 and name ca)
       (resid 45 and name cb)    (resid 45 and name cg)  1.0 -60.0 20.0 2 
!! 46 ser
assign (resid 46 and name n )    (resid 46 and name ca)
       (resid 46 and name cb)    (resid 46 and name og)  1.0 60.0 20.0 2 
!! 47 arg
assign (resid 47 and name n )    (resid 47 and name ca)
       (resid 47 and name cb)    (resid 47 and name cg)  1.0 60.0 25.0 2 
!! 48 asn
assign (resid 48 and name n )    (resid 48 and name ca)
       (resid 48 and name cb)    (resid 48 and name cg)  1.0 -60.0 20.0 2 
!! 49 leu
assign (resid 49 and name n )    (resid 49 and name ca)
       (resid 49 and name cb)    (resid 49 and name cg)  1.0 180.0 20.0 2
!! 51 arg
assign (resid 51 and name n )    (resid 51 and name ca)
       (resid 51 and name cb)    (resid 51 and name cg)  1.0 180.0 25.0 2 
!! 52 his
assign (resid 52 and name n )    (resid 52 and name ca)
       (resid 52 and name cb)    (resid 52 and name cg)  1.0 180.0 20.0 2
!! 53 leu
assign (resid 53 and name n )    (resid 53 and name ca)
       (resid 53 and name cb)    (resid 53 and name cg)  1.0 -60.0 20.0 2
!! 54 glu
assign (resid 54 and name n )    (resid 54 and name ca)
       (resid 54 and name cb)    (resid 54 and name cg)  1.0 -60.0 20.0 2 
!! 55 leu
assign (resid 55 and name n )    (resid 55 and name ca)
       (resid 55 and name cb)    (resid 55 and name cg)  1.0 -60.0 20.0 2 
!! 56 arg
assign (resid 56 and name n )    (resid 56 and name ca)
       (resid 56 and name cb)    (resid 56 and name cg)  1.0 -60.0 20.0 2
!! 57 his
assign (resid 57 and name n )    (resid 57 and name ca)
       (resid 57 and name cb)    (resid 57 and name cg)  1.0 -60.0 20.0 2
!! 58 phe
assign (resid 58 and name n )    (resid 58 and name ca)
       (resid 58 and name cb)    (resid 58 and name cg)  1.0 -60.0 20.0 2

!chi2
!Tyr 40
assign (resid 40 and name ca) (resid 40 and name cb)
       (resid 40 and name cg) (resid 40 and name cd1) 1.0 90.0 30.0 2
!Phe 58
assign (resid 58 and name ca) (resid 58 and name cb)
       (resid 58 and name cg) (resid 58 and name cd1) 1.0 90.0 30.0 2
!His 52
assign (resid 52 and name ca) (resid 52 and name cb)
       (resid 52 and name cg) (resid 52 and name nd1) 1.0 90.0 30.0 2
!His 57
assign (resid 57 and name ca) (resid 57 and name cb)
       (resid 57 and name cg) (resid 57 and name nd1) 1.0 -70.0 30.0 2

!Ile 38
assign (resid 38 and name ca) (resid 38 and name cb)
       (resid 38 and name cg1) (resid 38 and name cd1) 1.0 180.0 20.0 2

!Ile 43
assign (resid 43 and name ca) (resid 43 and name cb)
       (resid 43 and name cg1) (resid 43 and name cd1) 1.0 -60.0 20.0 2

!Leu49
assign (resid 49 and name ca) (resid 49 and name cb)
       (resid 49 and name cg) (resid 49 and name cd1) 1.0 60.0 20.0 2

!Leu53
assign (resid 53 and name ca) (resid 53 and name cb)
       (resid 53 and name cg) (resid 53 and name cd1) 1.0 180.0 20.0 2

!Leu55
assign (resid 55 and name ca) (resid 55 and name cb)
       (resid 55 and name cg) (resid 55 and name cd1) 1.0 180.0 20.0 2

!Glu31
assign (resid 31 and name ca) (resid 31 and name cb)
       (resid 31 and name cg) (resid 31 and name cd) 1.0 -60.0 35.0 2


!psi
!! 14 arg psi
assign (resid 14 and name n)     (resid 14 and name ca)    
       (resid 14 and name c)     (resid 15 and name n)  1.0 120.0 30.0 2
!! 15 ala psi
assign (resid 15 and name n)     (resid 15 and name ca)    
       (resid 15 and name c)     (resid 16 and name n)  1.0 120.0 20.0 2
!! 16 lys psi
assign (resid 16 and name n)     (resid 16 and name ca)    
       (resid 16 and name c)     (resid 17 and name n)  1.0 10.0 20.0 2
!! 17 his psi
assign (resid 17 and name n)     (resid 17 and name ca)    
       (resid 17 and name c)     (resid 18 and name n)  1.0 -35.0 30.0 2
!! 18 pro psi
assign (resid 18 and name n)     (resid 18 and name ca)    
       (resid 18 and name c)     (resid 19 and name n)  1.0 160.0 20.0 2
!! 19 pro psi
assign (resid 19 and name n)     (resid 19 and name ca)    
       (resid 19 and name c)     (resid 20 and name n)  1.0 160.0 20.0 2
!! 20 gly psi
assign (resid 20 and name n)     (resid 20 and name ca)    
       (resid 20 and name c)     (resid 21 and name n)  1.0 20.0 35.0 2

!! 21 thr psi
assign (resid 21 and name n)     (resid 21 and name ca)    
       (resid 21 and name c)     (resid 22 and name n)  1.0 105.0 20.0 2

!! 22 glu psi
assign (resid 22 and name n)     (resid 22 and name ca)    
       (resid 22 and name c)     (resid 23 and name n)  1.0 160.0 20.0 2

!! 23 lys psi
assign (resid 23 and name n)     (resid 23 and name ca)    
       (resid 23 and name c)     (resid 24 and name n)  1.0 95.0 30.0 2



!! 24 pro psi
assign (resid 24 and name n)     (resid 24 and name ca)    
       (resid 24 and name c)     (resid 25 and name n)  1.0 155.0 20.0 2

!! 25 arg psi
assign (resid 25 and name n)     (resid 25 and name ca)    
       (resid 25 and name c)     (resid 26 and name n)  1.0 -20.0 30.0 2

!! 26 ser psi
assign (resid 26 and name n)     (resid 26 and name ca)    
       (resid 26 and name c)     (resid 27 and name n)  1.0 0.0 20.0 2

!! 27 arg psi
assign (resid 27 and name n)     (resid 27 and name ca)    
       (resid 27 and name c)     (resid 28 and name n)  1.0 -40.0 30.0 2


!! 28 ser psi
assign (resid 28 and name n)     (resid 28 and name ca)    
       (resid 28 and name c)     (resid 29 and name n)  1.0  -10.0 35.0 2
!! 29 gln psi
assign (resid 29 and name n)     (resid 29 and name ca)    
       (resid 29 and name c)     (resid 30 and name n)  1.0 -30.0 15.0 2
!! 30 ser psi
assign (resid 30 and name n)     (resid 30 and name ca)    
       (resid 30 and name c)     (resid 31 and name n)  1.0 -30.0 20.0 2
!! 31 glu psi
assign (resid 31 and name n)     (resid 31 and name ca)    
       (resid 31 and name c)     (resid 32 and name n)  1.0 155.0 20.0 2
!! 32 glu psi
assign (resid 32 and name n)     (resid 32 and name ca)    
       (resid 32 and name c)     (resid 33 and name n)  1.0 155.0 20.0 2
!! 33 glu psi
assign (resid 33 and name n)     (resid 33 and name ca)    
       (resid 33 and name c)     (resid 34 and name n)  1.0 145.0 20.0 2
!! 34 glu psi
assign (resid 34 and name n)     (resid 34 and name ca)    
       (resid 34 and name c)     (resid 35 and name n)  1.0 130.0 30.0 2
!! 35 glu psi
assign (resid 35 and name n)     (resid 35 and name ca)    
       (resid 35 and name c)     (resid 36 and name n)  1.0 150.0 30.0 2


!! 56  psi
assign (resid 56 and name n)     (resid 56 and name ca)    
       (resid 56 and name c)     (resid 57 and name n)  1.0 20.0 20.0 2

!! 57  psi
assign (resid 57 and name n)     (resid 57 and name ca)    
       (resid 57 and name c)     (resid 58 and name n)  1.0 -70.0 20.0 2

!! 58  psi
assign (resid 58 and name n)     (resid 58 and name ca)    
       (resid 58 and name c)     (resid 59 and name n)  1.0 10.0 20.0 2

!! 59  psi
assign (resid 59 and name n)     (resid 59 and name ca)    
       (resid 59 and name c)     (resid 60 and name n)  1.0 0.0 20.0 2

!! 60  psi
assign (resid 60 and name n)     (resid 60 and name ca)    
       (resid 60 and name c)     (resid 61 and name n)  1.0 150.0 20.0 2

!! 61  psi
assign (resid 61 and name n)     (resid 61 and name ca)    
       (resid 61 and name c)     (resid 62 and name n)  1.0 150.0 20.0 2


!! 48  psi
assign (resid 48 and name n)     (resid 48 and name ca)    
       (resid 48 and name c)     (resid 49 and name n)  1.0 -30.0 20.0 2


assign (resid 51 and name ca) (resid 51 and name cb)
       (resid 51 and name cg) (resid 51 and name cd) 1.0 180.0 40.0 2
assign (resid 51 and name cb) (resid 51 and name cg)
       (resid 51 and name cd) (resid 51 and name ne) 1.0 60.0 40.0 2


assign (resid 47 and name ca) (resid 47 and name cb)
       (resid 47 and name cg) (resid 47 and name cd) 1.0 180.0 40.0 2


assign (resid 27 and name ca) (resid 27 and name cb)
       (resid 27 and name cg) (resid 27 and name cd) 1.0 -60.0 40.0 2
!chi3
assign (resid 27 and name cb) (resid 27 and name cg)
       (resid 27 and name cd) (resid 27 and name ne) 1.0 -120.0 90.0 2


assign (resid 45 and name ca) (resid 45 and name cb)
       (resid 45 and name cg) (resid 45 and name cd) 1.0 180.0 25.0 2


assign (resid 44 and name ca) (resid 44 and name cb)
       (resid 44 and name cg) (resid 44 and name cd) 1.0 180.0 30.0 2

assign (resid 14 and name ca) (resid 14 and name cb)
       (resid 14 and name cg) (resid 14 and name cd) 1.0 180.0 30.0 2



!DNA
!dihedral restraints on epsilon, zeta, alpha and beta.
!STRAND 1
assign  (resid  101 and name  c4') (resid  101 and name  c3')
        (resid  101 and name  o3') (resid  102 and name   p ) 1.0 180.0 50.0 2
assign  (resid  101 and name  c3') (resid  101 and name  o3')
        (resid  102 and name   p ) (resid  102 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  101 and name  o3') (resid  102 and name   p )
        (resid  102 and name  o5') (resid  102 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  102 and name   p ) (resid  102 and name  o5')
        (resid  102 and name  c5') (resid  102 and name  c4') 1.0 180.0 50.0 2

assign  (resid  102 and name  c4') (resid  102 and name  c3')
        (resid  102 and name  o3') (resid  103 and name   p ) 1.0 180.0 50.0 2
assign  (resid  102 and name  c3') (resid  102 and name  o3')
        (resid  103 and name   p ) (resid  103 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  102 and name  o3') (resid  103 and name   p )
        (resid  103 and name  o5') (resid  103 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  103 and name   p ) (resid  103 and name  o5')
        (resid  103 and name  c5') (resid  103 and name  c4') 1.0 180.0 50.0 2

assign  (resid  103 and name  c4') (resid  103 and name  c3')
        (resid  103 and name  o3') (resid  104 and name   p ) 1.0 180.0 50.0 2
assign  (resid  103 and name  c3') (resid  103 and name  o3')
        (resid  104 and name   p ) (resid  104 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  103 and name  o3') (resid  104 and name   p )
        (resid  104 and name  o5') (resid  104 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  104 and name   p ) (resid  104 and name  o5')
        (resid  104 and name  c5') (resid  104 and name  c4') 1.0 180.0 50.0 2

assign  (resid  104 and name  c4') (resid  104 and name  c3')
        (resid  104 and name  o3') (resid  105 and name   p ) 1.0 180.0 50.0 2
assign  (resid  104 and name  c3') (resid  104 and name  o3')
        (resid  105 and name   p ) (resid  105 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  104 and name  o3') (resid  105 and name   p )
        (resid  105 and name  o5') (resid  105 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  105 and name   p ) (resid  105 and name  o5')
        (resid  105 and name  c5') (resid  105 and name  c4') 1.0 180.0 50.0 2

assign  (resid  105 and name  c4') (resid  105 and name  c3')
        (resid  105 and name  o3') (resid  106 and name   p ) 1.0 180.0 50.0 2
assign  (resid  105 and name  c3') (resid  105 and name  o3')
        (resid  106 and name   p ) (resid  106 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  105 and name  o3') (resid  106 and name   p )
        (resid  106 and name  o5') (resid  106 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  106 and name   p ) (resid  106 and name  o5')
        (resid  106 and name  c5') (resid  106 and name  c4') 1.0 180.0 50.0 2

assign  (resid  106 and name  c4') (resid  106 and name  c3')
        (resid  106 and name  o3') (resid  107 and name   p ) 1.0 180.0 50.0 2
assign  (resid  106 and name  c3') (resid  106 and name  o3')
        (resid  107 and name   p ) (resid  107 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  106 and name  o3') (resid  107 and name   p )
        (resid  107 and name  o5') (resid  107 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  107 and name   p ) (resid  107 and name  o5')
        (resid  107 and name  c5') (resid  107 and name  c4') 1.0 180.0 50.0 2


assign  (resid  107 and name  c4') (resid  107 and name  c3')
        (resid  107 and name  o3') (resid  108 and name   p ) 1.0 180.0 50.0 2
assign  (resid  107 and name  c3') (resid  107 and name  o3')
        (resid  108 and name   p ) (resid  108 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  107 and name  o3') (resid  108 and name   p )
        (resid  108 and name  o5') (resid  108 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  108 and name   p ) (resid  108 and name  o5')
        (resid  108 and name  c5') (resid  108 and name  c4') 1.0 180.0 50.0 2

assign  (resid  108 and name  c4') (resid  108 and name  c3')
        (resid  108 and name  o3') (resid  109 and name   p ) 1.0 180.0 50.0 2
assign  (resid  108 and name  c3') (resid  108 and name  o3')
        (resid  109 and name   p ) (resid  109 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  108 and name  o3') (resid  109 and name   p )
        (resid  109 and name  o5') (resid  109 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  109 and name   p ) (resid  109 and name  o5')
        (resid  109 and name  c5') (resid  109 and name  c4') 1.0 180.0 50.0 2

assign  (resid  109 and name  c4') (resid  109 and name  c3')
        (resid  109 and name  o3') (resid 110 and name   p ) 1.0 180.0 50.0 2
assign  (resid  109 and name  c3') (resid  109 and name  o3')
        (resid 110 and name   p ) (resid 110 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  109 and name  o3') (resid 110 and name   p )
        (resid 110 and name  o5') (resid 110 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 110 and name   p ) (resid 110 and name  o5')
        (resid 110 and name  c5') (resid 110 and name  c4') 1.0 180.0 50.0 2

assign  (resid 110 and name  c4') (resid 110 and name  c3')
        (resid 110 and name  o3') (resid 111 and name   p ) 1.0 180.0 50.0 2
assign  (resid 110 and name  c3') (resid 110 and name  o3')
        (resid 111 and name   p ) (resid 111 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 110 and name o3')  (resid 111 and name   p )
        (resid 111 and name  o5') (resid 111 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 111 and name   p ) (resid 111 and name  o5')
        (resid 111 and name  c5') (resid 111 and name  c4') 1.0 180.0 50.0 2

!strand 2

assign  (resid 112 and name  c4') (resid 112 and name  c3')
        (resid 112 and name  o3') (resid 113 and name   p ) 1.0 180.0 50.0 2
assign  (resid 112 and name  c3') (resid 112 and name  o3')
        (resid 113 and name   p ) (resid 113 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 112 and name  o3') (resid 113 and name   p )
        (resid 113 and name  o5') (resid 113 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 113 and name   p ) (resid 113 and name  o5')
        (resid 113 and name  c5') (resid 113 and name  c4') 1.0 180.0 50.0 2

assign  (resid 113 and name  c4') (resid 113 and name  c3')
        (resid 113 and name  o3') (resid 114 and name   p ) 1.0 180.0 50.0 2
assign  (resid 113 and name  c3') (resid 113 and name  o3')
        (resid 114 and name   p ) (resid 114 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 113 and name  o3') (resid 114 and name   p )
        (resid 114 and name  o5') (resid 114 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 114 and name   p ) (resid 114 and name  o5')
        (resid 114 and name  c5') (resid 114 and name  c4') 1.0 180.0 50.0 2

assign  (resid 114 and name  c4') (resid 114 and name  c3')
        (resid 114 and name  o3') (resid 115 and name   p ) 1.0 180.0 50.0 2
assign  (resid 114 and name  c3') (resid 114 and name  o3')
        (resid 115 and name   p ) (resid 115 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 114 and name  o3') (resid 115 and name   p )
        (resid 115 and name  o5') (resid 115 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 115 and name   p ) (resid 115 and name  o5')
        (resid 115 and name  c5') (resid 115 and name  c4') 1.0 180.0 50.0 2

assign  (resid 115 and name  c4') (resid 115 and name  c3')
        (resid 115 and name  o3') (resid 116 and name   p ) 1.0 180.0 50.0 2
assign  (resid 115 and name  c3') (resid 115 and name  o3')
        (resid 116 and name   p ) (resid 116 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 115 and name  o3') (resid 116 and name   p )
        (resid 116 and name  o5') (resid 116 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 116 and name   p ) (resid 116 and name  o5')
        (resid 116 and name  c5') (resid 116 and name  c4') 1.0 180.0 50.0 2


assign  (resid 117 and name  c4') (resid 117 and name  c3')
        (resid 117 and name  o3') (resid 118 and name   p ) 1.0 180.0 50.0 2
assign  (resid 117 and name  c3') (resid 117 and name  o3')
        (resid 118 and name   p ) (resid 118 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 117 and name  o3') (resid 118 and name   p )
        (resid 118 and name  o5') (resid 118 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 118 and name   p ) (resid 118 and name  o5')
        (resid 118 and name  c5') (resid 118 and name  c4') 1.0 180.0 50.0 2

assign  (resid 118 and name  c4') (resid 118 and name  c3')
        (resid 118 and name  o3') (resid 119 and name   p ) 1.0 180.0 50.0 2
assign  (resid 118 and name  c3') (resid 118 and name  o3')
        (resid 119 and name   p ) (resid 119 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 118 and name  o3') (resid 119 and name   p )
        (resid 119 and name  o5') (resid 119 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 119 and name   p ) (resid 119 and name  o5')
        (resid 119 and name  c5') (resid 119 and name  c4') 1.0 180.0 50.0 2

assign  (resid 119 and name  c4') (resid 119 and name  c3')
        (resid 119 and name  o3') (resid 120 and name   p ) 1.0 180.0 50.0 2
assign  (resid 119 and name  c3') (resid 119 and name  o3')
        (resid 120 and name   p ) (resid 120 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 119 and name  o3') (resid 120 and name   p )
        (resid 120 and name  o5') (resid 120 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 120 and name   p ) (resid 120 and name  o5')
        (resid 120 and name  c5') (resid 120 and name  c4') 1.0 180.0 50.0 2

assign  (resid 120 and name  c4') (resid 120 and name  c3')
        (resid 120 and name  o3') (resid 121 and name   p ) 1.0 180.0 50.0 2
assign  (resid 120 and name  c3') (resid 120 and name  o3')
        (resid 121 and name   p ) (resid 121 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 120 and name  o3') (resid 121 and name   p )
        (resid 121 and name  o5') (resid 121 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 121 and name   p ) (resid 121 and name  o5')
        (resid 121 and name  c5') (resid 121 and name  c4') 1.0 180.0 50.0 2

assign  (resid 121 and name  c4') (resid 121 and name  c3')
        (resid 121 and name  o3') (resid 122 and name   p ) 1.0 180.0 50.0 2
assign  (resid 121 and name  c3') (resid 121 and name  o3')
        (resid 122 and name   p ) (resid 122 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 121 and name  o3') (resid 122 and name   p )
        (resid 122 and name  o5') (resid 122 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 122 and name   p ) (resid 122 and name  o5')
        (resid 122 and name  c5') (resid 122 and name  c4') 1.0 180.0 50.0 2


!constraints on gamma: 60 +/-30
assign (resid 101 and name o5') (resid 101 and name c5')
       (resid 101 and name c4') (resid 101 and name c3')   1.0 60.0 45.0 4
assign (resid 102 and name o5') (resid 102 and name c5')
       (resid 102 and name c4') (resid 102 and name c3')   1.0 60.0 45.0 4
assign (resid 103 and name o5') (resid 103 and name c5')
        (resid 103 and name c4') (resid 103 and name c3')   1.0 60.0 45.0 4
assign (resid 104 and name o5') (resid 104 and name c5')
       (resid 104 and name c4') (resid 104 and name c3')   1.0 60.0 45.0 4
assign (resid 105 and name o5') (resid 105 and name c5')
       (resid 105 and name c4') (resid 105 and name c3')   1.0 60.0 45.0 4
assign (resid 106 and name o5') (resid 106 and name c5')
       (resid 106 and name c4') (resid 106 and name c3')   1.0 60.0 45.0 4
assign (resid 107 and name o5') (resid 107 and name c5')
       (resid 107 and name c4') (resid 107 and name c3')   1.0 60.0 45.0 4
assign (resid 108 and name o5') (resid 108 and name c5')
       (resid 108 and name c4') (resid 108 and name c3')   1.0 60.0 45.0 4
assign (resid 109 and name o5') (resid 109 and name c5')
       (resid 109 and name c4') (resid 109 and name c3')   1.0 60.0 45.0 4
assign (resid 110 and name o5') (resid 110 and name c5')
       (resid 110 and name c4') (resid 110 and name c3')   1.0 60.0 45.0 4
assign (resid 111 and name o5') (resid 111 and name c5')
       (resid 111 and name c4') (resid 111 and name c3')   1.0 60.0 45.0 4
assign (resid 112 and name o5') (resid 112 and name c5')
       (resid 112 and name c4') (resid 112 and name c3')   1.0 60.0 45.0 4
assign (resid 113 and name o5') (resid 113 and name c5')
       (resid 113 and name c4') (resid 113 and name c3')   1.0 60.0 45.0 4
assign (resid 114 and name o5') (resid 114 and name c5')
       (resid 114 and name c4') (resid 114 and name c3')   1.0 60.0 45.0 4
assign (resid 115 and name o5') (resid 115 and name c5')
       (resid 115 and name c4') (resid 115 and name c3')   1.0 60.0 45.0 4
assign (resid 116 and name o5') (resid 116 and name c5')
       (resid 116 and name c4') (resid 116 and name c3')   1.0 60.0 45.0 4
assign (resid 117 and name o5') (resid 117 and name c5')
       (resid 117 and name c4') (resid 117 and name c3')   1.0 60.0 45.0 4
assign (resid 118 and name o5') (resid 118 and name c5')
       (resid 118 and name c4') (resid 118 and name c3')   1.0 60.0 45.0 4
assign (resid 119 and name o5') (resid 119 and name c5')
       (resid 119 and name c4') (resid 119 and name c3')   1.0 60.0 45.0 4
assign (resid 120 and name o5') (resid 120 and name c5')
       (resid 120 and name c4') (resid 120 and name c3')   1.0 60.0 45.0 4
assign (resid 121 and name o5') (resid 121 and name c5')
       (resid 121 and name c4') (resid 121 and name c3')   1.0 60.0 45.0 4
assign (resid 122 and name o5') (resid 122 and name c5')
       (resid 122 and name c4') (resid 122 and name c3')   1.0 60.0 45.0 4


!delta

!dihedral restraints on delta 145 +/- 15

assign (resid 101 and name c5') (resid 101 and name c4')
       (resid 101 and name c3') (resid 101 and name o3')   1.0  145.0 30.0 2
assign (resid 102 and name c5') (resid 102 and name c4')
       (resid 102 and name c3') (resid 102 and name o3')   1.0  145.0 30.0 2
assign (resid 103 and name c5') (resid 103 and name c4')
       (resid 103 and name c3') (resid 103 and name o3')   1.0  145.0 30.0 2
assign (resid 104 and name c5') (resid 104 and name c4')
       (resid 104 and name c3') (resid 104 and name o3')   1.0  145.0 30.0 2
assign (resid 105 and name c5') (resid 105 and name c4')
       (resid 105 and name c3') (resid 105 and name o3')    1.0 145.0 30.0 2
assign (resid 106 and name c5') (resid 106 and name c4')
       (resid 106 and name c3') (resid 106 and name o3')    1.0 145.0 30.0 2
assign (resid 107 and name c5') (resid 107 and name c4')
       (resid 107 and name c3') (resid 107 and name o3')    1.0 115.0 45.0 2
assign (resid 108 and name c5') (resid 108 and name c4')
       (resid 108 and name c3') (resid 108 and name o3')    1.0  115.0 45.0 2
assign (resid 109 and name c5') (resid 109 and name c4')
       (resid 109 and name c3') (resid 109 and name o3')    1.0  115.0 45.0 2
assign (resid 110 and name c5') (resid 110 and name c4')
       (resid 110 and name c3') (resid 110 and name o3')    1.0  115.0 45.0 2
assign (resid 111 and name c5') (resid 111 and name c4')
       (resid 111 and name c3') (resid 111 and name o3')    1.0  145.0 30.0 2
assign (resid 112 and name c5') (resid 112 and name c4')
       (resid 112 and name c3') (resid 112 and name o3')    1.0  145.0 30.0 2
assign (resid 113 and name c5') (resid 113 and name c4')
       (resid 113 and name c3') (resid 113 and name o3')    1.0  115.0 45.0 2
assign (resid 114 and name c5') (resid 114 and name c4')
       (resid 114 and name c3') (resid 114 and name o3')    1.0  115.0 45.0 2
assign (resid 115 and name c5') (resid 115 and name c4')
       (resid 115 and name c3') (resid 115 and name o3')    1.0 115.0 45.0 2
assign (resid 116 and name c5') (resid 116 and name c4')
       (resid 116 and name c3') (resid 116 and name o3')    1.0 145.0 30.0 2
assign (resid 117 and name c5') (resid 117 and name c4')
       (resid 117 and name c3') (resid 117 and name o3')    1.0 145.0 30.0 2
assign (resid 118 and name c5') (resid 118 and name c4')
       (resid 118 and name c3') (resid 118 and name o3')    1.0 145.0 30.0 2
assign (resid 119 and name c5') (resid 119 and name c4')
       (resid 119 and name c3') (resid 119 and name o3')    1.0 145.0 30.0 2
assign (resid 120 and name c5') (resid 120 and name c4')
       (resid 120 and name c3') (resid 120 and name o3')    1.0 145.0 30.0 2
assign (resid 121 and name c5') (resid 121 and name c4')
       (resid 121 and name c3') (resid 121 and name o3')    1.0 145.0 30.0 2
assign (resid 122 and name c5') (resid 122 and name c4')
       (resid 122 and name c3') (resid 122 and name o3')    1.0 145.0 30.0 2


  Entry H atom name         Submitted Coord H atom name
    1    HA   PRO  10           HA       PRO  10  -9.831  10.063  10.063
    2   1HB   PRO  10           HB2      PRO  10 -10.504   7.826   7.826
    3   2HB   PRO  10           HB1      PRO  10 -10.361   7.829   7.829
    4   1HG   PRO  10           HG2      PRO  10  -8.518   6.681   6.681
    5   2HG   PRO  10           HG1      PRO  10  -8.850   6.149   6.149
    6   1HD   PRO  10           HD2      PRO  10  -6.664   7.817   7.817
    7   2HD   PRO  10           HD1      PRO  10  -7.039   7.327   7.327
    8    H    LYS  11           HN       LYS  11  -9.331   7.964   7.964
    9    HA   LYS  11           HA       LYS  11  -8.087  10.009  10.009
   10   1HB   LYS  11           HB2      LYS  11 -10.627   8.498   8.498
   11   2HB   LYS  11           HB1      LYS  11  -9.809   9.661   9.661
   12   1HG   LYS  11           HG2      LYS  11 -10.863  11.423  11.423
   13   2HG   LYS  11           HG1      LYS  11 -10.485  10.840  10.840
   14   1HD   LYS  11           HD2      LYS  11 -12.690   9.599   9.599
   15   2HD   LYS  11           HD1      LYS  11 -12.966  11.014  11.014
   16   1HE   LYS  11           HE2      LYS  11 -11.843   8.371   8.371
   17   2HE   LYS  11           HE1      LYS  11 -13.510   8.899   8.899
   18   1HZ   LYS  11           HZ1      LYS  11 -11.182  10.444  10.444
   19   2HZ   LYS  11           HZ3      LYS  11 -12.032   9.325   9.325
   20   3HZ   LYS  11           HZ2      LYS  11 -12.824  10.704  10.704
   21    H    ALA  12           HN       ALA  12  -8.421   8.549   8.549
   22    HA   ALA  12           HA       ALA  12  -7.755   5.767   5.767
   23   1HB   ALA  12           HB3      ALA  12  -5.624   7.770   7.770
   24   2HB   ALA  12           HB2      ALA  12  -5.477   6.465   6.465
   25   3HB   ALA  12           HB1      ALA  12  -5.518   6.101   6.101
   26    H    LYS  13           HN       LYS  13  -9.682   5.836   5.836
   27    HA   LYS  13           HA       LYS  13  -9.325   6.698   6.698
   28   1HB   LYS  13           HB2      LYS  13 -11.479   4.739   4.739
   29   2HB   LYS  13           HB1      LYS  13 -11.589   6.432   6.432
   30   1HG   LYS  13           HG2      LYS  13 -11.388   5.424   5.424
   31   2HG   LYS  13           HG1      LYS  13 -12.873   5.903   5.903
   32   1HD   LYS  13           HD2      LYS  13 -10.633   7.912   7.912
   33   2HD   LYS  13           HD1      LYS  13 -11.433   7.635   7.635
   34   1HE   LYS  13           HE2      LYS  13 -12.650   8.659   8.659
   35   2HE   LYS  13           HE1      LYS  13 -12.627   9.412   9.412
   36   1HZ   LYS  13           HZ2      LYS  13 -13.942   7.333   7.333
   37   2HZ   LYS  13           HZ1      LYS  13 -14.297   7.205   7.205
   38   3HZ   LYS  13           HZ3      LYS  13 -14.735   8.602   8.602
   39    H    ARG  14           HN       ARG  14  -8.208   5.466   5.466
   40    HA   ARG  14           HA       ARG  14  -7.055   2.985   2.985
   41   1HB   ARG  14           HB2      ARG  14  -7.194   4.093   4.093
   42   2HB   ARG  14           HB1      ARG  14  -6.059   2.881   2.881
   43   1HG   ARG  14           HG2      ARG  14  -5.136   4.480   4.480
   44   2HG   ARG  14           HG1      ARG  14  -6.301   5.695   5.695
   45   1HD   ARG  14           HD2      ARG  14  -4.741   6.420   6.420
   46   2HD   ARG  14           HD1      ARG  14  -5.047   4.943   4.943
   47    HE   ARG  14           HE       ARG  14  -3.287   4.190   4.190
   48   1HH1  ARG  14          HH21      ARG  14  -3.388   6.559   6.559
   49   2HH1  ARG  14          HH22      ARG  14  -1.674   6.564   6.564
   50   1HH2  ARG  14          HH11      ARG  14  -1.057   4.173   4.173
   51   2HH2  ARG  14          HH12      ARG  14  -0.351   5.209   5.209
   52    H    ALA  15           HN       ALA  15  -8.770   1.767   1.767
   53    HA   ALA  15           HA       ALA  15 -10.876   1.037   1.037
   54   1HB   ALA  15           HB3      ALA  15 -11.223   1.293   1.293
   55   2HB   ALA  15           HB2      ALA  15 -10.239  -0.153  -0.153
   56   3HB   ALA  15           HB1      ALA  15 -11.769  -0.255  -0.255
   57    H    LYS  16           HN       LYS  16 -10.639  -0.565  -0.565
   58    HA   LYS  16           HA       LYS  16  -8.438  -2.531  -2.531
   59   1HB   LYS  16           HB2      LYS  16 -10.418  -2.390  -2.390
   60   2HB   LYS  16           HB1      LYS  16  -8.789  -3.063  -3.063
   61   1HG   LYS  16           HG2      LYS  16  -7.843  -0.808  -0.808
   62   2HG   LYS  16           HG1      LYS  16  -9.469  -0.123  -0.123
   63   1HD   LYS  16           HD2      LYS  16  -9.895  -1.031  -1.031
   64   2HD   LYS  16           HD1      LYS  16  -8.239  -1.636  -1.636
   65   1HE   LYS  16           HE2      LYS  16  -8.248   0.471   0.471
   66   2HE   LYS  16           HE1      LYS  16  -7.464   0.743   0.743
   67   1HZ   LYS  16           HZ2      LYS  16 -10.338   1.081   1.081
   68   2HZ   LYS  16           HZ1      LYS  16  -9.486   2.214   2.214
   69   3HZ   LYS  16           HZ3      LYS  16  -9.131   2.042   2.042
   70    H    HIS  17           HN       HIS  17 -11.208  -2.284  -2.284
   71    HA   HIS  17           HA       HIS  17 -12.603  -4.710  -4.710
   72   1HB   HIS  17           HB2      HIS  17 -13.162  -2.370  -2.370
   73   2HB   HIS  17           HB1      HIS  17 -13.484  -3.763  -3.763
   74    HD1  HIS  17           HD1      HIS  17 -15.848  -4.489  -4.489
   75    HD2  HIS  17           HD2      HIS  17 -14.433  -2.988  -2.988
   76    HE1  HIS  17           HE1      HIS  17 -17.761  -4.674  -4.674
   77    HA   PRO  18           HA       PRO  18 -10.824  -6.050  -6.050
   78   1HB   PRO  18           HB2      PRO  18  -8.056  -5.020  -5.020
   79   2HB   PRO  18           HB1      PRO  18  -8.924  -5.148  -5.148
   80   1HG   PRO  18           HG2      PRO  18  -8.654  -2.800  -2.800
   81   2HG   PRO  18           HG1      PRO  18 -10.178  -3.237  -3.237
   82   1HD   PRO  18           HD2      PRO  18  -9.531  -3.202  -3.202
   83   2HD   PRO  18           HD1      PRO  18 -11.042  -2.740  -2.740
   84    HA   PRO  19           HA       PRO  19  -9.383  -9.509  -9.509
   85   1HB   PRO  19           HB2      PRO  19  -8.683 -11.266 -11.266
   86   2HB   PRO  19           HB1      PRO  19 -10.369 -10.895 -10.895
   87   1HG   PRO  19           HG2      PRO  19  -8.688  -9.804  -9.804
   88   2HG   PRO  19           HG1      PRO  19 -10.382 -10.332 -10.332
   89   1HD   PRO  19           HD2      PRO  19  -9.684  -7.700  -7.700
   90   2HD   PRO  19           HD1      PRO  19 -11.159  -8.336  -8.336
   91    H    GLY  20           HN       GLY  20  -7.364 -11.024 -11.024
   92   1HA   GLY  20           HA2      GLY  20  -5.026 -11.292 -11.292
   93   2HA   GLY  20           HA1      GLY  20  -4.913 -10.046 -10.046
   94    H    THR  21           HN       THR  21  -6.649  -9.389  -9.389
   95    HA   THR  21           HA       THR  21  -4.628  -7.319  -7.319
   96    HB   THR  21           HB       THR  21  -6.936  -6.562  -6.562
   97    HG1  THR  21           HG1      THR  21  -5.615  -6.876  -6.876
   98   1HG2  THR  21          HG22      THR  21  -7.736  -9.019  -9.019
   99   2HG2  THR  21          HG21      THR  21  -7.630  -8.389  -8.389
  100   3HG2  THR  21          HG23      THR  21  -8.690  -7.616  -7.616
  101    H    GLU  22           HN       GLU  22  -2.980  -8.720  -8.720
  102    HA   GLU  22           HA       GLU  22  -3.495 -10.564 -10.564
  103   1HB   GLU  22           HB2      GLU  22  -0.827  -9.562  -9.562
  104   2HB   GLU  22           HB1      GLU  22  -1.112 -11.004 -11.004
  105   1HG   GLU  22           HG2      GLU  22  -2.758 -11.627 -11.627
  106   2HG   GLU  22           HG1      GLU  22  -1.706 -10.529 -10.529
  107    H    LYS  23           HN       LYS  23  -2.836 -10.268 -10.268
  108    HA   LYS  23           HA       LYS  23  -2.537  -7.411  -7.411
  109   1HB   LYS  23           HB2      LYS  23  -3.212  -9.697  -9.697
  110   2HB   LYS  23           HB1      LYS  23  -3.586  -7.982  -7.982
  111   1HG   LYS  23           HG2      LYS  23  -4.944  -8.336  -8.336
  112   2HG   LYS  23           HG1      LYS  23  -4.884 -10.030 -10.030
  113   1HD   LYS  23           HD2      LYS  23  -6.857  -9.408  -9.408
  114   2HD   LYS  23           HD1      LYS  23  -5.704  -9.118  -9.118
  115   1HE   LYS  23           HE2      LYS  23  -5.815  -6.794  -6.794
  116   2HE   LYS  23           HE1      LYS  23  -6.374  -6.884  -6.884
  117   1HZ   LYS  23           HZ1      LYS  23  -8.104  -8.119  -8.119
  118   2HZ   LYS  23           HZ3      LYS  23  -7.972  -6.432  -6.432
  119   3HZ   LYS  23           HZ2      LYS  23  -8.492  -7.154  -7.154
  120    HA   PRO  24           HA       PRO  24   1.620  -9.359  -9.359
  121   1HB   PRO  24           HB2      PRO  24   3.146  -7.170  -7.170
  122   2HB   PRO  24           HB1      PRO  24   2.719  -8.491  -8.491
  123   1HG   PRO  24           HG2      PRO  24   1.491  -5.790  -5.790
  124   2HG   PRO  24           HG1      PRO  24   1.806  -6.741  -6.741
  125   1HD   PRO  24           HD2      PRO  24  -0.675  -6.545  -6.545
  126   2HD   PRO  24           HD1      PRO  24  -0.140  -7.987  -7.987
  127    H    ARG  25           HN       ARG  25   2.533  -9.067  -9.067
  128    HA   ARG  25           HA       ARG  25   1.295  -7.145  -7.145
  129   1HB   ARG  25           HB2      ARG  25   3.631  -9.030  -9.030
  130   2HB   ARG  25           HB1      ARG  25   2.928  -8.056  -8.056
  131   1HG   ARG  25           HG2      ARG  25   0.792  -9.130  -9.130
  132   2HG   ARG  25           HG1      ARG  25   1.296  -9.933  -9.933
  133   1HD   ARG  25           HD2      ARG  25   3.041 -11.156 -11.156
  134   2HD   ARG  25           HD1      ARG  25   2.364 -10.445 -10.445
  135    HE   ARG  25           HE       ARG  25   0.178 -11.616 -11.616
  136   1HH1  ARG  25          HH21      ARG  25   3.334 -12.617 -12.617
  137   2HH1  ARG  25          HH22      ARG  25   2.863 -14.255 -14.255
  138   1HH2  ARG  25          HH11      ARG  25  -0.453 -13.745 -13.745
  139   2HH2  ARG  25          HH12      ARG  25   0.718 -14.894 -14.894
  140    H    SER  26           HN       SER  26   3.830  -6.774  -6.774
  141    HA   SER  26           HA       SER  26   5.505  -4.995  -4.995
  142   1HB   SER  26           HB2      SER  26   5.165  -5.273  -5.273
  143   2HB   SER  26           HB1      SER  26   6.407  -4.297  -4.297
  144    HG   SER  26           HG       SER  26   6.064  -7.005  -7.005
  145    H    ARG  27           HN       ARG  27   2.376  -4.690  -4.690
  146    HA   ARG  27           HA       ARG  27   2.478  -1.750  -1.750
  147   1HB   ARG  27           HB2      ARG  27   0.046  -3.544  -3.544
  148   2HB   ARG  27           HB1      ARG  27   0.254  -1.937  -1.937
  149   1HG   ARG  27           HG2      ARG  27   1.886  -4.353  -4.353
  150   2HG   ARG  27           HG1      ARG  27   0.439  -3.815  -3.815
  151   1HD   ARG  27           HD2      ARG  27   1.705  -1.499  -1.499
  152   2HD   ARG  27           HD1      ARG  27   3.133  -2.484  -2.484
  153    HE   ARG  27           HE       ARG  27   1.526  -3.672  -3.672
  154   1HH1  ARG  27          HH21      ARG  27   3.552  -0.999  -0.999
  155   2HH1  ARG  27          HH22      ARG  27   3.924  -0.680  -0.680
  156   1HH2  ARG  27          HH11      ARG  27   1.969  -3.267  -3.267
  157   2HH2  ARG  27          HH12      ARG  27   3.027  -1.962  -1.962
  158    H    SER  28           HN       SER  28   0.959  -4.212  -4.212
  159    HA   SER  28           HA       SER  28  -0.108  -2.075  -2.075
  160   1HB   SER  28           HB2      SER  28  -1.152  -4.097  -4.097
  161   2HB   SER  28           HB1      SER  28  -1.718  -3.767  -3.767
  162    HG   SER  28           HG       SER  28   0.374  -5.572  -5.572
  163    H    GLN  29           HN       GLN  29   2.427  -4.473  -4.473
  164    HA   GLN  29           HA       GLN  29   2.918  -4.521  -4.521
  165   1HB   GLN  29           HB2      GLN  29   3.661  -6.324  -6.324
  166   2HB   GLN  29           HB1      GLN  29   4.828  -5.194  -5.194
  167   1HG   GLN  29           HG2      GLN  29   6.215  -5.274  -5.274
  168   2HG   GLN  29           HG1      GLN  29   4.886  -5.528  -5.528
  169   1HE2  GLN  29          HE22      GLN  29   5.967  -8.888  -8.888
  170   2HE2  GLN  29          HE21      GLN  29   5.754  -7.421  -7.421
  171    H    SER  30           HN       SER  30   4.261  -2.723  -2.723
  172    HA   SER  30           HA       SER  30   6.362  -1.378  -1.378
  173   1HB   SER  30           HB2      SER  30   4.501  -0.232  -0.232
  174   2HB   SER  30           HB1      SER  30   6.113   0.359   0.359
  175    HG   SER  30           HG       SER  30   5.479  -1.489  -1.489
  176    H    GLU  31           HN       GLU  31   2.905  -0.933  -0.933
  177    HA   GLU  31           HA       GLU  31   3.184   1.632   1.632
  178   1HB   GLU  31           HB2      GLU  31   0.742  -0.051  -0.051
  179   2HB   GLU  31           HB1      GLU  31   0.726   1.561   1.561
  180   1HG   GLU  31           HG2      GLU  31   1.960   0.906   0.906
  181   2HG   GLU  31           HG1      GLU  31   0.341   1.562   1.562
  182    H    GLN  32           HN       GLN  32   2.670   1.876   1.876
  183    HA   GLN  32           HA       GLN  32   2.343  -0.646  -0.646
  184   1HB   GLN  32           HB2      GLN  32   4.123   1.734   1.734
  185   2HB   GLN  32           HB1      GLN  32   3.885   0.346   0.346
  186   1HG   GLN  32           HG2      GLN  32   4.860  -1.154  -1.154
  187   2HG   GLN  32           HG1      GLN  32   4.874   0.095   0.095
  188   1HE2  GLN  32          HE22      GLN  32   7.563   0.570   0.570
  189   2HE2  GLN  32          HE21      GLN  32   6.016  -0.035  -0.035
  190    HA   PRO  33           HA       PRO  33  -1.243   1.033   1.033
  191   1HB   PRO  33           HB2      PRO  33   0.277   0.873   0.873
  192   2HB   PRO  33           HB1      PRO  33  -1.352   0.292   0.292
  193   1HG   PRO  33           HG2      PRO  33   0.834  -1.336  -1.336
  194   2HG   PRO  33           HG1      PRO  33  -0.591  -1.678  -1.678
  195   1HD   PRO  33           HD2      PRO  33   2.115  -0.959  -0.959
  196   2HD   PRO  33           HD1      PRO  33   0.752  -1.551  -1.551
  197    H    ALA  34           HN       ALA  34  -2.017   3.033   3.033
  198    HA   ALA  34           HA       ALA  34   0.004   5.047   5.047
  199   1HB   ALA  34           HB2      ALA  34  -0.644   4.945   4.945
  200   2HB   ALA  34           HB1      ALA  34  -1.888   6.053   6.053
  201   3HB   ALA  34           HB3      ALA  34  -0.183   6.430   6.430
  202    H    THR  35           HN       THR  35  -0.804   6.365   6.365
  203    HA   THR  35           HA       THR  35  -3.757   6.311   6.311
  204    HB   THR  35           HB       THR  35  -1.482   6.823   6.823
  205    HG1  THR  35           HG1      THR  35  -3.152   4.559   4.559
  206   1HG2  THR  35          HG22      THR  35  -4.451   6.384   6.384
  207   2HG2  THR  35          HG21      THR  35  -3.254   6.533   6.533
  208   3HG2  THR  35          HG23      THR  35  -3.586   7.904   7.904
  209    H    CYS  36           HN       CYS  36  -4.733   8.305   8.305
  210    HA   CYS  36           HA       CYS  36  -3.422  10.716  10.716
  211   1HB   CYS  36           HB2      CYS  36  -5.642  10.546  10.546
  212   2HB   CYS  36           HB1      CYS  36  -6.215   9.987   9.987
  213    HA   PRO  37           HA       PRO  37  -2.387  11.546  11.546
  214   1HB   PRO  37           HB2      PRO  37  -0.953  13.868  13.868
  215   2HB   PRO  37           HB1      PRO  37  -0.287  12.247  12.247
  216   1HG   PRO  37           HG2      PRO  37  -1.260  14.245  14.245
  217   2HG   PRO  37           HG1      PRO  37   0.077  13.090  13.090
  218   1HD   PRO  37           HD2      PRO  37  -2.410  12.726  12.726
  219   2HD   PRO  37           HD1      PRO  37  -1.294  11.400  11.400
  220    H    ILE  38           HN       ILE  38  -4.628  13.101  13.101
  221    HA   ILE  38           HA       ILE  38  -5.158  15.257  15.257
  222    HB   ILE  38           HB       ILE  38  -6.493  14.839  14.839
  223   1HG1  ILE  38          HG12      ILE  38  -4.189  16.676  16.676
  224   2HG1  ILE  38          HG11      ILE  38  -4.029  15.206  15.206
  225   1HG2  ILE  38          HG23      ILE  38  -7.554  16.270  16.270
  226   2HG2  ILE  38          HG22      ILE  38  -6.254  17.409  17.409
  227   3HG2  ILE  38          HG21      ILE  38  -7.413  16.990  16.990
  228   1HD1  ILE  38          HD13      ILE  38  -6.095  17.018  17.018
  229   2HD1  ILE  38          HD12      ILE  38  -4.492  17.744  17.744
  230   3HD1  ILE  38          HD11      ILE  38  -4.747  16.234  16.234
  231    H    CYS  39           HN       CYS  39  -6.999  12.810  12.810
  232    HA   CYS  39           HA       CYS  39  -8.850  12.566  12.566
  233   1HB   CYS  39           HB2      CYS  39 -10.661  12.178  12.178
  234   2HB   CYS  39           HB1      CYS  39  -9.795  13.543  13.543
  235    H    TYR  40           HN       TYR  40  -6.314  11.071  11.071
  236    HA   TYR  40           HA       TYR  40  -5.538   8.866   8.866
  237   1HB   TYR  40           HB2      TYR  40  -8.059   8.621   8.621
  238   2HB   TYR  40           HB1      TYR  40  -6.824   7.364   7.364
  239    HD1  TYR  40           HD2      TYR  40  -4.366   8.098   8.098
  240    HD2  TYR  40           HD1      TYR  40  -7.813  10.339  10.339
  241    HE1  TYR  40           HE2      TYR  40  -2.987   9.282   9.282
  242    HE2  TYR  40           HE1      TYR  40  -6.432  11.526  11.526
  243    HH   TYR  40           HH       TYR  40  -4.383  11.262  11.262
  244    H    ALA  41           HN       ALA  41  -7.706   9.623   9.623
  245    HA   ALA  41           HA       ALA  41  -9.192   7.270   7.270
  246   1HB   ALA  41           HB1      ALA  41  -8.367   9.690   9.690
  247   2HB   ALA  41           HB3      ALA  41  -8.378   8.294   8.294
  248   3HB   ALA  41           HB2      ALA  41  -9.838   8.744   8.744
  249    H    VAL  42           HN       VAL  42  -8.561   5.284   5.284
  250    HA   VAL  42           HA       VAL  42  -5.628   4.828   4.828
  251    HB   VAL  42           HB       VAL  42  -7.938   2.856   2.856
  252   1HG1  VAL  42          HG11      VAL  42  -4.931   2.570   2.570
  253   2HG1  VAL  42          HG13      VAL  42  -5.964   1.295   1.295
  254   3HG1  VAL  42          HG12      VAL  42  -6.113   1.780   1.780
  255   1HG2  VAL  42          HG21      VAL  42  -7.567   4.213   4.213
  256   2HG2  VAL  42          HG23      VAL  42  -7.445   2.463   2.463
  257   3HG2  VAL  42          HG22      VAL  42  -5.982   3.446   3.446
  258    H    ILE  43           HN       ILE  43  -4.946   5.417   5.417
  259    HA   ILE  43           HA       ILE  43  -6.499   4.488   4.488
  260    HB   ILE  43           HB       ILE  43  -4.182   6.439   6.439
  261   1HG1  ILE  43          HG12      ILE  43  -6.079   7.284   7.284
  262   2HG1  ILE  43          HG11      ILE  43  -5.895   8.214   8.214
  263   1HG2  ILE  43          HG21      ILE  43  -6.140   5.617   5.617
  264   2HG2  ILE  43          HG23      ILE  43  -5.277   7.153   7.153
  265   3HG2  ILE  43          HG22      ILE  43  -4.379   5.635   5.635
  266   1HD1  ILE  43          HD13      ILE  43  -7.657   6.296   6.296
  267   2HD1  ILE  43          HD12      ILE  43  -8.103   6.428   6.428
  268   3HD1  ILE  43          HD11      ILE  43  -8.141   7.853   7.853
  269    H    ARG  44           HN       ARG  44  -5.712   2.732   2.732
  270    HA   ARG  44           HA       ARG  44  -3.359   1.360   1.360
  271   1HB   ARG  44           HB2      ARG  44  -4.801   1.029   1.029
  272   2HB   ARG  44           HB1      ARG  44  -3.745  -0.148  -0.148
  273   1HG   ARG  44           HG2      ARG  44  -5.360  -0.081  -0.081
  274   2HG   ARG  44           HG1      ARG  44  -6.465   0.801   0.801
  275   1HD   ARG  44           HD2      ARG  44  -6.057  -1.149  -1.149
  276   2HD   ARG  44           HD1      ARG  44  -5.412  -2.017  -2.017
  277    HE   ARG  44           HE       ARG  44  -8.230  -0.965  -0.965
  278   1HH1  ARG  44          HH21      ARG  44  -6.069  -2.850  -2.850
  279   2HH1  ARG  44          HH22      ARG  44  -7.336  -3.535  -3.535
  280   1HH2  ARG  44          HH11      ARG  44  -9.868  -1.833  -1.833
  281   2HH2  ARG  44          HH12      ARG  44  -9.484  -2.959  -2.959
  282    H    GLN  45           HN       GLN  45  -3.895   2.617   2.617
  283    HA   GLN  45           HA       GLN  45  -1.057   2.641   2.641
  284   1HB   GLN  45           HB2      GLN  45  -3.252   3.993   3.993
  285   2HB   GLN  45           HB1      GLN  45  -1.635   3.586   3.586
  286   1HG   GLN  45           HG2      GLN  45  -2.102   1.190   1.190
  287   2HG   GLN  45           HG1      GLN  45  -3.728   1.597   1.597
  288   1HE2  GLN  45          HE22      GLN  45  -3.578   0.822   0.822
  289   2HE2  GLN  45          HE21      GLN  45  -2.849   0.026   0.026
  290    H    SER  46           HN       SER  46   0.393   4.293   4.293
  291    HA   SER  46           HA       SER  46  -0.175   6.563   6.563
  292   1HB   SER  46           HB2      SER  46   2.089   7.322   7.322
  293   2HB   SER  46           HB1      SER  46   2.085   5.622   5.622
  294    HG   SER  46           HG       SER  46   2.280   6.807   6.807
  295    H    ARG  47           HN       ARG  47  -0.027   6.146   6.146
  296    HA   ARG  47           HA       ARG  47  -0.134   8.897   8.897
  297   1HB   ARG  47           HB2      ARG  47  -0.951   8.184   8.184
  298   2HB   ARG  47           HB1      ARG  47   0.191   6.961   6.961
  299   1HG   ARG  47           HG2      ARG  47  -1.806   5.680   5.680
  300   2HG   ARG  47           HG1      ARG  47  -2.837   6.815   6.815
  301   1HD   ARG  47           HD2      ARG  47  -2.610   5.466   5.466
  302   2HD   ARG  47           HD1      ARG  47  -0.935   5.977   5.977
  303    HE   ARG  47           HE       ARG  47  -1.065   3.895   3.895
  304   1HH1  ARG  47          HH21      ARG  47  -1.647   4.484   4.484
  305   2HH1  ARG  47          HH22      ARG  47  -1.398   2.839   2.839
  306   1HH2  ARG  47          HH11      ARG  47  -0.780   1.715   1.715
  307   2HH2  ARG  47          HH12      ARG  47  -0.902   1.285   1.285
  308    H    ASN  48           HN       ASN  48  -2.700   6.613   6.613
  309    HA   ASN  48           HA       ASN  48  -4.873   8.431   8.431
  310   1HB   ASN  48           HB2      ASN  48  -4.619   5.950   5.950
  311   2HB   ASN  48           HB1      ASN  48  -6.128   6.854   6.854
  312   1HD2  ASN  48          HD22      ASN  48  -5.601   4.151   4.151
  313   2HD2  ASN  48          HD21      ASN  48  -5.151   4.088   4.088
  314    H    LEU  49           HN       LEU  49  -2.782   7.841   7.841
  315    HA   LEU  49           HA       LEU  49  -4.243   9.191   9.191
  316   1HB   LEU  49           HB2      LEU  49  -2.089   8.055   8.055
  317   2HB   LEU  49           HB1      LEU  49  -1.244   9.290   9.290
  318    HG   LEU  49           HG       LEU  49  -2.090  11.024  11.024
  319   1HD1  LEU  49          HD12      LEU  49  -3.375   8.593   8.593
  320   2HD1  LEU  49          HD11      LEU  49  -2.899   9.938   9.938
  321   3HD1  LEU  49          HD13      LEU  49  -4.053  10.199  10.199
  322   1HD2  LEU  49          HD23      LEU  49  -0.502   8.701   8.701
  323   2HD2  LEU  49          HD22      LEU  49   0.117  10.190  10.190
  324   3HD2  LEU  49          HD21      LEU  49  -0.690  10.225  10.225
  325    H    ARG  50           HN       ARG  50  -2.046  10.486  10.486
  326    HA   ARG  50           HA       ARG  50  -2.184  13.206  13.206
  327   1HB   ARG  50           HB2      ARG  50  -0.993  11.736  11.736
  328   2HB   ARG  50           HB1      ARG  50  -2.144  12.737  12.737
  329   1HG   ARG  50           HG2      ARG  50  -1.198  14.696  14.696
  330   2HG   ARG  50           HG1      ARG  50   0.135  13.606  13.606
  331   1HD   ARG  50           HD2      ARG  50  -0.387  13.662  13.662
  332   2HD   ARG  50           HD1      ARG  50  -0.122  15.277  15.277
  333    HE   ARG  50           HE       ARG  50   1.695  12.951  12.951
  334   1HH1  ARG  50          HH21      ARG  50   1.253  16.016  16.016
  335   2HH1  ARG  50          HH22      ARG  50   2.934  16.212  16.212
  336   1HH2  ARG  50          HH11      ARG  50   3.861  13.184  13.184
  337   2HH2  ARG  50          HH12      ARG  50   4.409  14.611  14.611
  338    H    ARG  51           HN       ARG  51  -4.174  11.373  11.373
  339    HA   ARG  51           HA       ARG  51  -5.927  13.479  13.479
  340   1HB   ARG  51           HB2      ARG  51  -5.702  11.167  11.167
  341   2HB   ARG  51           HB1      ARG  51  -6.704  10.569  10.569
  342   1HG   ARG  51           HG2      ARG  51  -8.503  12.107  12.107
  343   2HG   ARG  51           HG1      ARG  51  -7.499  12.760  12.760
  344   1HD   ARG  51           HD2      ARG  51  -9.126  11.018  11.018
  345   2HD   ARG  51           HD1      ARG  51  -7.444  10.610  10.610
  346    HE   ARG  51           HE       ARG  51  -7.981   9.446   9.446
  347   1HH1  ARG  51          HH21      ARG  51  -9.307   9.394   9.394
  348   2HH1  ARG  51          HH22      ARG  51  -9.890   7.769   7.769
  349   1HH2  ARG  51          HH11      ARG  51  -8.713   7.323   7.323
  350   2HH2  ARG  51          HH12      ARG  51  -9.552   6.592   6.592
  351    H    HIS  52           HN       HIS  52  -5.927  11.338  11.338
  352    HA   HIS  52           HA       HIS  52  -8.573  11.997  11.997
  353   1HB   HIS  52           HB2      HIS  52  -7.555  10.045  10.045
  354   2HB   HIS  52           HB1      HIS  52  -6.105  10.925  10.925
  355    HD1  HIS  52           HD1      HIS  52  -9.611  10.191  10.191
  356    HD2  HIS  52           HD2      HIS  52  -6.383  12.517  12.517
  357    HE1  HIS  52           HE1      HIS  52 -10.138  10.910  10.910
  358    H    LEU  53           HN       LEU  53  -5.422  13.542  13.542
  359    HA   LEU  53           HA       LEU  53  -6.159  15.360  15.360
  360   1HB   LEU  53           HB2      LEU  53  -4.120  15.731  15.731
  361   2HB   LEU  53           HB1      LEU  53  -4.224  16.699  16.699
  362    HG   LEU  53           HG       LEU  53  -3.729  13.706  13.706
  363   1HD1  LEU  53          HD12      LEU  53  -1.883  15.262  15.262
  364   2HD1  LEU  53          HD11      LEU  53  -1.770  15.875  15.875
  365   3HD1  LEU  53          HD13      LEU  53  -1.437  14.176  14.176
  366   1HD2  LEU  53          HD23      LEU  53  -4.017  15.741  15.741
  367   2HD2  LEU  53          HD22      LEU  53  -4.695  14.118  14.118
  368   3HD2  LEU  53          HD21      LEU  53  -2.984  14.331  14.331
  369    H    GLU  54           HN       GLU  54  -6.222  15.656  15.656
  370    HA   GLU  54           HA       GLU  54  -7.298  18.343  18.343
  371   1HB   GLU  54           HB2      GLU  54  -7.268  16.338  16.338
  372   2HB   GLU  54           HB1      GLU  54  -7.557  18.072  18.072
  373   1HG   GLU  54           HG2      GLU  54  -5.211  18.227  18.227
  374   2HG   GLU  54           HG1      GLU  54  -4.995  16.615  16.615
  375    H    LEU  55           HN       LEU  55  -8.816  15.251  15.251
  376    HA   LEU  55           HA       LEU  55 -11.443  16.356  16.356
  377   1HB   LEU  55           HB2      LEU  55 -10.606  13.560  13.560
  378   2HB   LEU  55           HB1      LEU  55 -12.254  14.012  14.012
  379    HG   LEU  55           HG       LEU  55  -9.835  14.217  14.217
  380   1HD1  LEU  55          HD11      LEU  55 -10.756  11.912  11.912
  381   2HD1  LEU  55          HD13      LEU  55 -12.279  12.436  12.436
  382   3HD1  LEU  55          HD12      LEU  55 -10.820  12.364  12.364
  383   1HD2  LEU  55          HD23      LEU  55 -12.686  15.160  15.160
  384   2HD2  LEU  55          HD22      LEU  55 -11.205  15.919  15.919
  385   3HD2  LEU  55          HD21      LEU  55 -11.880  14.545  14.545
  386    H    ARG  56           HN       ARG  56  -9.896  14.977  14.977
  387    HA   ARG  56           HA       ARG  56 -12.342  15.710  15.710
  388   1HB   ARG  56           HB2      ARG  56  -9.979  14.017  14.017
  389   2HB   ARG  56           HB1      ARG  56 -11.499  14.188  14.188
  390   1HG   ARG  56           HG2      ARG  56 -11.175  13.031  13.031
  391   2HG   ARG  56           HG1      ARG  56 -11.441  12.094  12.094
  392   1HD   ARG  56           HD2      ARG  56 -13.362  13.898  13.898
  393   2HD   ARG  56           HD1      ARG  56 -13.592  12.242  12.242
  394    HE   ARG  56           HE       ARG  56 -13.196  13.839  13.839
  395   1HH1  ARG  56          HH21      ARG  56 -15.411  13.375  13.375
  396   2HH1  ARG  56          HH22      ARG  56 -16.752  14.072  14.072
  397   1HH2  ARG  56          HH11      ARG  56 -14.921  14.765  14.765
  398   2HH2  ARG  56          HH12      ARG  56 -16.473  14.863  14.863
  399    H    HIS  57           HN       HIS  57  -9.636  17.395  17.395
  400    HA   HIS  57           HA       HIS  57  -9.747  18.820  18.820
  401   1HB   HIS  57           HB2      HIS  57  -7.137  17.685  17.685
  402   2HB   HIS  57           HB1      HIS  57  -7.324  18.715  18.715
  403    HD1  HIS  57           HD1      HIS  57  -9.343  17.624  17.624
  404    HD2  HIS  57           HD2      HIS  57  -7.108  15.024  15.024
  405    HE1  HIS  57           HE1      HIS  57  -9.592  15.305  15.305
  406    H    PHE  58           HN       PHE  58  -7.328  18.844  18.844
  407    HA   PHE  58           HA       PHE  58  -7.537  21.749  21.749
  408   1HB   PHE  58           HB2      PHE  58  -6.042  19.710  19.710
  409   2HB   PHE  58           HB1      PHE  58  -5.974  21.440  21.440
  410    HD1  PHE  58           HD1      PHE  58  -5.139  18.777  18.777
  411    HD2  PHE  58           HD2      PHE  58  -4.798  22.955  22.955
  412    HE1  PHE  58           HE1      PHE  58  -3.420  19.032  19.032
  413    HE2  PHE  58           HE2      PHE  58  -3.079  23.210  23.210
  414    HZ   PHE  58           HZ       PHE  58  -2.390  21.248  21.248
  415    H    ALA  59           HN       ALA  59  -9.771  19.717  19.717
  416    HA   ALA  59           HA       ALA  59 -10.281  20.272  20.272
  417   1HB   ALA  59           HB1      ALA  59 -11.219  18.398  18.398
  418   2HB   ALA  59           HB3      ALA  59 -12.563  19.533  19.533
  419   3HB   ALA  59           HB2      ALA  59 -12.070  18.833  18.833
  420    H    LYS  60           HN       LYS  60 -10.183  22.360  22.360
  421    HA   LYS  60           HA       LYS  60 -12.701  23.814  23.814
  422   1HB   LYS  60           HB2      LYS  60 -10.153  24.618  24.618
  423   2HB   LYS  60           HB1      LYS  60 -11.619  25.587  25.587
  424   1HG   LYS  60           HG2      LYS  60 -12.823  23.618  23.618
  425   2HG   LYS  60           HG1      LYS  60 -11.233  22.885  22.885
  426   1HD   LYS  60           HD2      LYS  60 -10.696  25.330  25.330
  427   2HD   LYS  60           HD1      LYS  60 -12.431  25.299  25.299
  428   1HE   LYS  60           HE2      LYS  60 -10.370  23.293  23.293
  429   2HE   LYS  60           HE1      LYS  60 -11.276  24.427  24.427
  430   1HZ   LYS  60           HZ1      LYS  60 -13.187  23.077  23.077
  431   2HZ   LYS  60           HZ3      LYS  60 -12.058  21.874  21.874
  432   3HZ   LYS  60           HZ2      LYS  60 -12.768  22.802  22.802
  433    HA   PRO  61           HA       PRO  61 -11.037  26.110  26.110
  434   1HB   PRO  61           HB2      PRO  61 -12.061  28.677  28.677
  435   2HB   PRO  61           HB1      PRO  61 -12.878  27.454  27.454
  436   1HG   PRO  61           HG2      PRO  61 -13.329  28.193  28.193
  437   2HG   PRO  61           HG1      PRO  61 -14.458  27.517  27.517
  438   1HD   PRO  61           HD2      PRO  61 -13.361  26.047  26.047
  439   2HD   PRO  61           HD1      PRO  61 -13.891  25.328  25.328
  440    H    GLY  62           HN       GLY  62  -8.909  26.783  26.783
  441   1HA   GLY  62           HA2      GLY  62  -7.617  27.638  27.638
  442   2HA   GLY  62           HA1      GLY  62  -6.855  27.583  27.583
  443    H    VAL  63           HN       VAL  63  -5.901  29.688  29.688
  444    HA   VAL  63           HA       VAL  63  -7.782  31.915  31.915
  445    HB   VAL  63           HB       VAL  63  -5.593  32.533  32.533
  446   1HG1  VAL  63          HG12      VAL  63  -7.356  34.143  34.143
  447   2HG1  VAL  63          HG11      VAL  63  -8.530  33.262  33.262
  448   3HG1  VAL  63          HG13      VAL  63  -7.188  34.101  34.101
  449   1HG2  VAL  63          HG21      VAL  63  -8.063  30.938  30.938
  450   2HG2  VAL  63          HG23      VAL  63  -6.383  30.445  30.445
  451   3HG2  VAL  63          HG22      VAL  63  -7.035  31.783  31.783
  452   1H5*    G 101          H5''      GUA 101 -21.205  14.263  14.263
  453   2H5*    G 101           H5'      GUA 101 -22.486  13.094  13.094
  454    H4*    G 101           H4'      GUA 101 -20.401  12.835  12.835
  455    H3*    G 101           H3'      GUA 101 -19.117  12.849  12.849
  456   1H2*    G 101          H2''      GUA 101 -17.901  10.618  10.618
  457   2H2*    G 101           H2'      GUA 101 -18.599  10.657  10.657
  458    H1*    G 101           H1'      GUA 101 -19.698   9.423   9.423
  459    H8     G 101           H8       GUA 101 -21.273  10.759  10.759
  460    H1     G 101           H1       GUA 101 -21.061   4.390   4.390
  461   1H2     G 101           HN'      GUA 101 -19.480   5.038   5.038
  462   2H2     G 101          HN''      GUA 101 -20.081   3.841   3.841
  463   1H5*    C 102          H5''      CYT 102 -14.812  12.367  12.367
  464   2H5*    C 102           H5'      CYT 102 -16.524  11.945  11.945
  465    H4*    C 102           H4'      CYT 102 -15.277  10.082  10.082
  466    H3*    C 102           H3'      CYT 102 -13.378  10.780  10.780
  467   1H2*    C 102          H2''      CYT 102 -13.358   7.898   7.898
  468   2H2*    C 102           H2'      CYT 102 -13.568   8.970   8.970
  469    H1*    C 102           H1'      CYT 102 -15.568   7.390   7.390
  470   1H4     C 102           HN'      CYT 102 -17.312   9.096   9.096
  471   2H4     C 102          HN''      CYT 102 -17.481   7.359   7.359
  472    H5     C 102           H5       CYT 102 -16.517  10.470  10.470
  473    H6     C 102           H6       CYT 102 -15.714  10.480  10.480
  474   1H5*    C 103          H5''      CYT 103 -11.211   6.589   6.589
  475   2H5*    C 103           H5'      CYT 103 -12.929   6.902   6.902
  476    H4*    C 103           H4'      CYT 103 -12.493   4.548   4.548
  477    H3*    C 103           H3'      CYT 103  -9.995   5.475   5.475
  478   1H2*    C 103          H2''      CYT 103 -10.779   3.296   3.296
  479   2H2*    C 103           H2'      CYT 103 -10.397   4.970   4.970
  480    H1*    C 103           H1'      CYT 103 -13.009   3.659   3.659
  481   1H4     C 103           HN'      CYT 103 -12.874   8.622   8.622
  482   2H4     C 103          HN''      CYT 103 -13.695   7.276   7.276
  483    H5     C 103           H5       CYT 103 -11.957   8.529   8.529
  484    H6     C 103           H6       CYT 103 -11.645   7.134   7.134
  485   1H5*    G 104          H5''      GUA 104  -9.367   0.209   0.209
  486   2H5*    G 104           H5'      GUA 104 -10.782   1.007   1.007
  487    H4*    G 104           H4'      GUA 104  -9.915  -1.053  -1.053
  488    H3*    G 104           H3'      GUA 104  -7.449   0.503   0.503
  489   1H2*    G 104          H2''      GUA 104  -7.683  -0.403  -0.403
  490   2H2*    G 104           H2'      GUA 104  -7.398   1.260   1.260
  491    H1*    G 104           H1'      GUA 104  -9.824   0.137   0.137
  492    H8     G 104           H8       GUA 104  -8.795   3.261   3.261
  493    H1     G 104           H1       GUA 104 -10.973   4.479   4.479
  494   1H2     G 104           HN'      GUA 104 -11.504   2.581   2.581
  495   2H2     G 104          HN''      GUA 104 -11.329   1.020   1.020
  496   1H5*    A 105          H5''      ADE 105  -5.640  -3.770  -3.770
  497   2H5*    A 105           H5'      ADE 105  -7.354  -3.515  -3.515
  498    H4*    A 105           H4'      ADE 105  -7.381  -3.656  -3.656
  499    H3*    A 105           H3'      ADE 105  -4.601  -2.734  -2.734
  500   1H2*    A 105          H2''      ADE 105  -5.554  -1.612  -1.612
  501   2H2*    A 105           H2'      ADE 105  -4.792  -0.756  -0.756
  502    H1*    A 105           H1'      ADE 105  -7.616  -0.867  -0.867
  503    H8     A 105           H8       ADE 105  -5.788   0.500   0.500
  504   1H6     A 105           HN'      ADE 105  -6.415   5.201   5.201
  505   2H6     A 105          HN''      ADE 105  -7.093   6.061   6.061
  506    H2     A 105           H2       ADE 105  -8.489   2.950   2.950
  507   1H5*    G 106          H5''      GUA 106  -5.063  -5.030  -5.030
  508   2H5*    G 106           H5'      GUA 106  -6.622  -4.236  -4.236
  509    H4*    G 106           H4'      GUA 106  -6.205  -3.946  -3.946
  510    H3*    G 106           H3'      GUA 106  -3.405  -3.948  -3.948
  511   1H2*    G 106          H2''      GUA 106  -3.524  -1.894  -1.894
  512   2H2*    G 106           H2'      GUA 106  -2.800  -1.802  -1.802
  513    H1*    G 106           H1'      GUA 106  -5.233  -0.568  -0.568
  514    H8     G 106           H8       GUA 106  -3.801  -1.629  -1.629
  515    H1     G 106           H1       GUA 106  -4.031   4.666   4.666
  516   1H2     G 106           HN'      GUA 106  -4.903   5.043   5.043
  517   2H2     G 106          HN''      GUA 106  -5.425   3.749   3.749
  518   1H5*    A 107          H5''      ADE 107  -3.314  -3.494  -3.494
  519   2H5*    A 107           H5'      ADE 107  -4.440  -2.769  -2.769
  520    H4*    A 107           H4'      ADE 107  -3.827  -1.145  -1.145
  521    H3*    A 107           H3'      ADE 107  -1.136  -2.203  -2.203
  522   1H2*    A 107          H2''      ADE 107  -0.732   0.637   0.637
  523   2H2*    A 107           H2'      ADE 107  -0.142  -0.457  -0.457
  524    H1*    A 107           H1'      ADE 107  -2.306   1.478   1.478
  525    H8     A 107           H8       ADE 107  -1.078  -1.579  -1.579
  526   1H6     A 107           HN'      ADE 107   0.184   2.629   2.629
  527   2H6     A 107          HN''      ADE 107   0.223   0.929   0.929
  528    H2     A 107           H2       ADE 107  -1.514   4.783   4.783
  529   1H5*    G 108          H5''      GUA 108   0.109   0.921   0.921
  530   2H5*    G 108           H5'      GUA 108  -1.021   1.621   1.621
  531    H4*    G 108           H4'      GUA 108   0.610   3.307   3.307
  532    H3*    G 108           H3'      GUA 108   2.462   1.118   1.118
  533   1H2*    G 108          H2''      GUA 108   4.090   2.817   2.817
  534   2H2*    G 108           H2'      GUA 108   3.477   1.218   1.218
  535    H1*    G 108           H1'      GUA 108   2.613   3.905   3.905
  536    H8     G 108           H8       GUA 108   1.780   0.140   0.140
  537    H1     G 108           H1       GUA 108   3.696   3.533   3.533
  538   1H2     G 108           HN'      GUA 108   4.065   5.634   5.634
  539   2H2     G 108          HN''      GUA 108   3.842   6.207   6.207
  540   1H5*    T 109          H5''      THY 109   4.416   5.813   5.813
  541   2H5*    T 109           H5'      THY 109   3.653   5.030   5.030
  542    H4*    T 109           H4'      THY 109   5.227   7.060   7.060
  543    H3*    T 109           H3'      THY 109   7.139   5.144   5.144
  544   1H2*    T 109          H2''      THY 109   8.471   6.237   6.237
  545   2H2*    T 109           H2'      THY 109   8.207   4.519   4.519
  546    H1*    T 109           H1'      THY 109   6.816   6.200   6.200
  547    H3     T 109           H3       THY 109   7.351   2.778   2.778
  548   1H5M    T 109           H51      THY 109   5.774   0.707   0.707
  549   2H5M    T 109           H52      THY 109   5.471  -0.148  -0.148
  550   3H5M    T 109           H53      THY 109   7.105  -0.141  -0.141
  551    H6     T 109           H6       THY 109   6.276   2.973   2.973
  552   1H5*    A 110          H5''      ADE 110   9.300   9.635   9.635
  553   2H5*    A 110           H5'      ADE 110   8.308   8.576   8.576
  554    H4*    A 110           H4'      ADE 110  10.128   9.977   9.977
  555    H3*    A 110           H3'      ADE 110  11.810   8.483   8.483
  556   1H2*    A 110          H2''      ADE 110  13.121   8.202   8.202
  557   2H2*    A 110           H2'      ADE 110  12.726   6.927   6.927
  558    H1*    A 110           H1'      ADE 110  11.459   7.450   7.450
  559    H8     A 110           H8       ADE 110  10.733   5.635   5.635
  560   1H6     A 110           HN'      ADE 110  10.215   0.550   0.550
  561   2H6     A 110          HN''      ADE 110  10.152   1.195   1.195
  562    H2     A 110           H2       ADE 110  11.099   4.008   4.008
  563   1H5*    C 111          H5''      CYT 111  14.948  11.237  11.237
  564   2H5*    C 111           H5'      CYT 111  13.379  10.433  10.433
  565    H4*    C 111           H4'      CYT 111  14.759  10.039  10.039
  566    H3*    C 111           H3'      CYT 111  16.908   9.676   9.676
  567   1H2*    C 111          H2''      CYT 111  17.438   7.637   7.637
  568   2H2*    C 111           H2'      CYT 111  17.212   7.433   7.433
  569    H1*    C 111           H1'      CYT 111  15.350   6.839   6.839
  570   1H4     C 111           HN'      CYT 111  14.685   1.876   1.876
  571   2H4     C 111          HN''      CYT 111  14.666   2.926   2.926
  572    H5     C 111           H5       CYT 111  14.896   5.318   5.318
  573    H6     C 111           H6       CYT 111  15.195   7.221   7.221
  574   1H5*    G 112          H5''      GUA 112  15.997  -7.248  -7.248
  575   2H5*    G 112           H5'      GUA 112  17.247  -6.160  -6.160
  576    H4*    G 112           H4'      GUA 112  16.055  -5.202  -5.202
  577    H3*    G 112           H3'      GUA 112  13.694  -6.141  -6.141
  578   1H2*    G 112          H2''      GUA 112  12.859  -3.481  -3.481
  579   2H2*    G 112           H2'      GUA 112  13.008  -4.265  -4.265
  580    H1*    G 112           H1'      GUA 112  14.725  -2.244  -2.244
  581    H8     G 112           H8       GUA 112  14.467  -4.509  -4.509
  582    H1     G 112           H1       GUA 112  14.899   1.787   1.787
  583   1H2     G 112           HN'      GUA 112  15.155   2.054   2.054
  584   2H2     G 112          HN''      GUA 112  15.117   2.875   2.875
  585   1H5*    T 113          H5''      THY 113  12.712  -3.637  -3.637
  586   2H5*    T 113           H5'      THY 113  13.782  -3.212  -3.212
  587    H4*    T 113           H4'      THY 113  13.032  -1.239  -1.239
  588    H3*    T 113           H3'      THY 113  10.387  -2.419  -2.419
  589   1H2*    T 113          H2''      THY 113   9.991   0.399   0.399
  590   2H2*    T 113           H2'      THY 113   9.536  -0.944  -0.944
  591    H1*    T 113           H1'      THY 113  11.761   0.939   0.939
  592    H3     T 113           H3       THY 113  10.567   1.333   1.333
  593   1H5M    T 113           H51      THY 113  10.757  -3.896  -3.896
  594   2H5M    T 113           H52      THY 113   9.953  -3.242  -3.242
  595   3H5M    T 113           H53      THY 113   9.035  -3.465  -3.465
  596    H6     T 113           H6       THY 113  10.833  -2.423  -2.423
  597   1H5*    A 114          H5''      ADE 114   9.703   2.060   2.060
  598   2H5*    A 114           H5'      ADE 114  10.877   1.785   1.785
  599    H4*    A 114           H4'      ADE 114   9.995   4.068   4.068
  600    H3*    A 114           H3'      ADE 114   7.482   2.872   2.872
  601   1H2*    A 114          H2''      ADE 114   6.556   4.341   4.341
  602   2H2*    A 114           H2'      ADE 114   6.565   2.567   2.567
  603    H1*    A 114           H1'      ADE 114   8.310   4.339   4.339
  604    H8     A 114           H8       ADE 114   7.651   0.560   0.560
  605   1H6     A 114           HN'      ADE 114   7.099  -0.853  -0.853
  606   2H6     A 114          HN''      ADE 114   7.183  -0.015  -0.015
  607    H2     A 114           H2       ADE 114   8.130   4.281   4.281
  608   1H5*    C 115          H5''      CYT 115   7.488   7.952   7.952
  609   2H5*    C 115           H5'      CYT 115   8.009   6.545   6.545
  610    H4*    C 115           H4'      CYT 115   7.309   8.814   8.814
  611    H3*    C 115           H3'      CYT 115   4.713   7.719   7.719
  612   1H2*    C 115          H2''      CYT 115   4.509   8.779   8.779
  613   2H2*    C 115           H2'      CYT 115   3.793   7.298   7.298
  614    H1*    C 115           H1'      CYT 115   6.063   7.489   7.489
  615   1H4     C 115           HN'      CYT 115   3.805   1.273   1.273
  616   2H4     C 115          HN''      CYT 115   4.166   1.441   1.441
  617    H5     C 115           H5       CYT 115   4.108   3.027   3.027
  618    H6     C 115           H6       CYT 115   4.838   5.352   5.352
  619   1H5*    T 116          H5''      THY 116   3.018  12.197  12.197
  620   2H5*    T 116           H5'      THY 116   4.253  11.159  11.159
  621    H4*    T 116           H4'      THY 116   2.704  11.705  11.705
  622    H3*    T 116           H3'      THY 116   0.712  11.652  11.652
  623   1H2*    T 116          H2''      THY 116  -0.662  10.470  10.470
  624   2H2*    T 116           H2'      THY 116  -0.493   9.818   9.818
  625    H1*    T 116           H1'      THY 116   0.846   8.965   8.965
  626    H3     T 116           H3       THY 116   0.092   4.755   4.755
  627   1H5M    T 116           H51      THY 116   1.302   5.749   5.749
  628   2H5M    T 116           H52      THY 116   0.790   7.453   7.453
  629   3H5M    T 116           H53      THY 116   2.479   7.047   7.047
  630    H6     T 116           H6       THY 116   1.515   8.777   8.777
  631   1H5*    C 117          H5''      CYT 117  -2.278  13.161  13.161
  632   2H5*    C 117           H5'      CYT 117  -0.819  12.153  12.153
  633    H4*    C 117           H4'      CYT 117  -2.411  11.046  11.046
  634    H3*    C 117           H3'      CYT 117  -4.386  12.198  12.198
  635   1H2*    C 117          H2''      CYT 117  -5.536   9.652   9.652
  636   2H2*    C 117           H2'      CYT 117  -4.918  10.364  10.364
  637    H1*    C 117           H1'      CYT 117  -3.693   8.323   8.323
  638   1H4     C 117           HN'      CYT 117  -3.035   7.101   7.101
  639   2H4     C 117          HN''      CYT 117  -3.454   5.586   5.586
  640    H5     C 117           H5       CYT 117  -2.735   9.161   9.161
  641    H6     C 117           H6       CYT 117  -2.861  10.233  10.233
  642   1H5*    T 118          H5''      THY 118  -6.768   9.254   9.254
  643   2H5*    T 118           H5'      THY 118  -5.572   8.705   8.705
  644    H4*    T 118           H4'      THY 118  -7.452   7.064   7.064
  645    H3*    T 118           H3'      THY 118  -9.053   9.161   9.161
  646   1H2*    T 118          H2''      THY 118 -10.074   6.625   6.625
  647   2H2*    T 118           H2'      THY 118  -9.591   8.033   8.033
  648    H1*    T 118           H1'      THY 118  -8.162   5.521   5.521
  649    H3     T 118           H3       THY 118  -7.345   5.304   5.304
  650   1H5M    T 118           H51      THY 118  -6.021  10.115  10.115
  651   2H5M    T 118           H52      THY 118  -7.453   9.934   9.934
  652   3H5M    T 118           H53      THY 118  -7.635  10.519  10.519
  653    H6     T 118           H6       THY 118  -7.515   8.980   8.980
  654   1H5*    C 119          H5''      CYT 119 -11.893   5.084   5.084
  655   2H5*    C 119           H5'      CYT 119 -10.360   5.232   5.232
  656    H4*    C 119           H4'      CYT 119 -11.664   3.110   3.110
  657    H3*    C 119           H3'      CYT 119 -13.779   5.027   5.027
  658   1H2*    C 119          H2''      CYT 119 -13.919   3.105   3.105
  659   2H2*    C 119           H2'      CYT 119 -13.736   4.874   4.874
  660    H1*    C 119           H1'      CYT 119 -11.721   2.754   2.754
  661   1H4     C 119           HN'      CYT 119 -10.518   8.179   8.179
  662   2H4     C 119          HN''      CYT 119 -10.189   6.785   6.785
  663    H5     C 119           H5       CYT 119 -11.283   8.011   8.011
  664    H6     C 119           H6       CYT 119 -11.910   6.479   6.479
  665   1H5*    G 120          H5''      GUA 120 -15.573   0.051   0.051
  666   2H5*    G 120           H5'      GUA 120 -14.033   0.735   0.735
  667    H4*    G 120           H4'      GUA 120 -14.916  -0.961  -0.961
  668    H3*    G 120           H3'      GUA 120 -17.434   0.388   0.388
  669   1H2*    G 120          H2''      GUA 120 -17.456   0.264   0.264
  670   2H2*    G 120           H2'      GUA 120 -17.505   1.743   1.743
  671    H1*    G 120           H1'      GUA 120 -15.294   0.603   0.603
  672    H8     G 120           H8       GUA 120 -15.839   3.609   3.609
  673    H1     G 120           H1       GUA 120 -14.358   5.124   5.124
  674   1H2     G 120           HN'      GUA 120 -14.144   3.281   3.281
  675   2H2     G 120          HN''      GUA 120 -14.363   1.682   1.682
  676   1H5*    G 121          H5''      GUA 121 -17.398  -3.301  -3.301
  677   2H5*    G 121           H5'      GUA 121 -16.482  -1.784  -1.784
  678    H4*    G 121           H4'      GUA 121 -17.126  -3.126  -3.126
  679    H3*    G 121           H3'      GUA 121 -19.739  -2.170  -2.170
  680   1H2*    G 121          H2''      GUA 121 -19.634  -1.410  -1.410
  681   2H2*    G 121           H2'      GUA 121 -20.009  -0.376  -0.376
  682    H1*    G 121           H1'      GUA 121 -17.565  -0.480  -0.480
  683    H8     G 121           H8       GUA 121 -18.762   1.020   1.020
  684    H1     G 121           H1       GUA 121 -17.018   5.279   5.279
  685   1H2     G 121           HN'      GUA 121 -16.393   4.238   4.238
  686   2H2     G 121          HN''      GUA 121 -16.401   2.495   2.495
  687   1H5*    C 122          H5''      CYT 122 -20.194  -4.761  -4.761
  688   2H5*    C 122           H5'      CYT 122 -18.870  -3.740  -3.740
  689    H4*    C 122           H4'      CYT 122 -19.132  -3.431  -3.431
  690    H3*    C 122           H3'      CYT 122 -21.987  -3.467  -3.467
  691   1H2*    C 122          H2''      CYT 122 -21.709  -1.375  -1.375
  692   2H2*    C 122           H2'      CYT 122 -22.534  -1.299  -1.299
  693    H1*    C 122           H1'      CYT 122 -19.977  -0.154  -0.154
  694   1H4     C 122           HN'      CYT 122 -22.246   3.928   3.928
  695   2H4     C 122          HN''      CYT 122 -22.790   2.618   2.618
  696    H5     C 122           H5       CYT 122 -22.517   0.295   0.295
  697    H6     C 122           H6       CYT 122 -21.668  -1.277  -1.277