NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
9352 1ntc 4348 cing 1-original 7 XPLOR/CNS distance NOE simple


! Intermonomer NOEs from chain b to chain a

! Ala 25  
 
assign (resid 25 and name HA and segid b) (resid 54 and name HG2# and (segid a)) 4.8 3.0 0.2
assign (resid 25 and name HB# and segid b) (resid 54 and name HG2# and (segid a)) 7.5 5.7 0.0

! Leu 28  

assign (resid 28 and name HD1# and segid b) (resid 51 and name HD1# and (segid a)) 4.9 3.1 0.3 
assign (resid 28 and name HD1# and segid b) (resid 51 and name HD2# and (segid a)) 7.5 5.7 0.0 
assign (resid 28 and name HD2# and segid b) (resid 51 and name HG and (segid a)) 6.5 4.7 0.0 
assign (resid 28 and name HD1# and segid b) (resid 55 and name HD1# and (segid a)) 7.5 5.7 0.0 
assign (resid 28 and name HD1# and segid b) (resid 55 and name HD2# and (segid a)) 4.9 3.1 0.3  
assign (resid 28 and name HD2# and segid b) (resid 54 and name HG2# and (segid a)) 4.9 3.1 0.3 
assign (resid 28 and name HD2# and segid b) (resid 54 and name HB and (segid a)) 6.5 4.7 0.0 
 
! Ala 29  
 
assign (resid 29 and name HA and segid b) (resid 58 and name HG2# and (segid a)) 4.8 3.0 0.2
assign (resid 29 and name HA and segid b) (resid 54 and name HG2# and (segid a)) 4.8 3.0 0.2 
assign (resid 29 and name HB# and segid b) (resid 54 and name HG2# and (segid a)) 4.9 3.1 0.3 
 
! Ala 32  

assign (resid 32 and name HB# and segid b) (resid 55 and name HD1# and segid a) 5.8 4.0 0.2 
assign (resid 32 and name HB# and segid b) (resid 55 and name HD2# and (segid a)) 4.9 3.1 0.3 
assign (resid 32 and name HB# and segid b) (resid 58 and name HB and (segid a)) 4.8 3.0 0.2

! Leu 36  

assign (resid 36 and name HD1# and segid b) (resid 73 and name HD2# and segid a) 7.5 5.7 0.0 
assign (resid 36 and name HD2# and segid b) (resid 73 and name HD2# and (segid a)) 7.5 5.7 0.0
assign (resid 36 and name HD1# and segid b) (resid 62 and name HB1 and segid a) 6.5 4.7 0.0
assign (resid 36 and name HD1# and segid b) (resid 62 and name HB2 and segid a) 6.5 4.7 0.0 
assign (resid 36 and name HD1# and segid b) (resid 62 and name HD2 and (segid a)) 6.5 4.7 0.0 

! LEU 43  

assign (resid 43 and name HD1# and segid b) (resid 55 and name HD1# and segid a) 5.8 4.0 0.2 
assign (resid 43 and name HD2# and segid b) (resid 55 and name HD1# and segid a) 7.5 5.7 0.0
assign (resid 43 and name HD1# and segid b) (resid 59 and name HB# and (segid a)) 5.8 4.0 0.2  
assign (resid 43 and name HD2# and segid b) (resid 59 and name HB# and (segid a)) 5.8 4.0 0.2  
assign (resid 43 and name HN and segid b) (resid 74 and name HA and segid a) 3.3 1.5 0.2
assign (resid 43 and name HB# and segid b) (resid 74 and name HA and (segid a)) 4.3 2.5 0.2
assign (resid 43 and name HD1# and segid b) (resid 74 and name HA and segid a) 6.5 4.7 0.0
 
! Leu 44  
 
assign (resid 44 and name HD1# and segid b) (resid 52 and name ha and segid a) 6.5 4.7 0.0 
assign (resid 44 and name HD1# and segid b) (resid 55 and name HD1# and segid a) 5.8 4.0 0.2
assign (resid 44 and name HD1# and segid b) (resid 55 and name HD2# and segid a) 7.5 5.7 0.0
assign (resid 44 and name HN and segid b) (resid 74 and name HA and segid a) 3.3 1.5 0.2  
assign (resid 44 and name HG and segid b) (resid 74 and name HA and (segid a)) 5.0 3.2 0.0 
assign (resid 44 and name HG and segid b) (resid 74 and name HB# and (segid a)) 4.3 2.5 0.2
assign (resid 44 and name HG and segid b) (resid 74 and name HD2# and segid a) 4.8 3.0 0.2
assign (resid 44 and name HB1 and segid b) (resid 74 and name HD2# and segid a) 6.5 4.7 0.0
assign (resid 44 and name HB2 and segid b) (resid 74 and name HD2# and segid a) 6.5 4.7 0.0
assign (resid 44 and name HD2# and segid b) (resid 76 and name HZ2 and (segid a)) 6.5 4.7 0.0 
assign (resid 44 and name HD1# and segid b) (resid 76 and name HZ2 and (segid a)) 6.5 4.7 0.0
assign (resid 44 and name HD1# and segid b) (resid 76 and name HE1 and (segid a)) 4.8 3.0 0.2
assign (resid 44 and name HD2# and segid b) (resid 76 and name HE1 and (segid a)) 6.5 4.7 0.0
 
! Gln 48  

assign (resid 48 and name ha and segid b) (resid 51 and name HD1# and segid a) 4.8 3.0 0.2
assign (resid 48 and name ha and segid b) (resid 51 and name HD2# and segid a) 4.8 3.0 0.2 

! Intramonomer NOEs for b-chain second set

! TRP 24  

assign (resid 24 and name hn and segid b) (resid 24 and name ha and (segid b )) 3.3 1.5 0.2
assign (resid 24 and name hn and segid b) (resid 24 and name hd1 and (segid b )) 3.3 1.5 0.2
assign (resid 24 and name hn and segid b) (resid 24 and name hb1 and (segid b )) 5.0 3.2 0.0
assign (resid 24 and name hn and segid b) (resid 24 and name hb2 and (segid b )) 5.0 3.2 0.0
assign (resid 24 and name HA and segid b) (resid 24 and name HB1 and (segid b )) 3.3 1.5 0.2
assign (resid 24 and name HA and segid b) (resid 24 and name HB2 and (segid b )) 3.3 1.5 0.2
assign (resid 24 and name hn and segid b) (resid 25 and name hn and (segid b )) 3.3 1.5 0.2
assign (resid 24 and name HA and segid b) (resid 27 and name HG and (segid b)) 5.0 3.2 0.0
assign (resid 24 and name HA and segid b) (resid 27 and name HD1# and (segid b)) 4.8 3.0 0.2
assign (resid 24 and name HA and segid b) (resid 27 and name HD2# and (segid b)) 6.5 4.7 0.0 
assign (resid 24 and name HB# and segid b ) (resid 27 and name HB# and (segid b)) 7.0 5.2 0.0
assign (resid 24 and name HE3 and segid b) (resid 28 and name HD1# and (segid b)) 4.8 3.0 0.2
assign (resid 24 and name HE3 and segid b) (resid 28 and name HD2# and (segid b)) 4.8 3.0 0.2
assign (resid 24 and name HZ3 and segid b) (resid 28 and name HD1# and (segid b)) 6.5 4.7 0.0
assign (resid 24 and name HZ3 and segid b) (resid 28 and name HD2# and (segid b)) 3.9 2.1 0.3
assign (resid 24 and name HH2 and segid b) (resid 28 and name HD2# and (segid b)) 6.5 4.7 0.0
assign (resid 24 and name HZ2 and segid b) (resid 47 and name HA and (segid b)) 5.0 3.2 0.0
assign (resid 24 and name HZ2 and segid b) (resid 47 and name HB# and (segid b)) 4.8 3.0 0.2 
assign (resid 24 and name HH2 and segid b) (resid 47 and name HB# and (segid b)) 6.5 4.7 0.0

! Ala 25  

assign (resid 25 and name HA and segid b) (resid 28 and name HD2# and (segid b)) 4.8 3.0 0.2
assign (resid 25 and name HA and segid b) (resid 28 and name HD1# and (segid b)) 6.5 4.7 0.0

! Leu 27  
 
assign (resid 27 and name HD1# and segid b) (resid 47 and name HB# and (segid b)) 7.5 5.7 0.0 

! Leu 28  
 
assign (resid 28 and name HD1# and segid b) (resid 31 and name HZ3 and (segid b)) 6.5 4.7 0.0 
assign (resid 28 and name HD1# and segid b) (resid 31 and name HE3 and (segid b)) 4.8 3.0 0.2 
assign (resid 28 and name HD1# and segid b) (resid 32 and name HB# and (segid b)) 5.8 4.0 0.2
assign (resid 28 and name HD1# and segid b) (resid 47 and name HB# and (segid b)) 5.8 4.0 0.2 

! Trp 31  
 
assign (resid 31 and name HZ3 and segid b) (resid 43 and name HD2# and (segid b)) 6.5 4.0 0.0
assign (resid 31 and name HZ3 and segid b) (resid 43 and name HD1# and (segid b)) 6.5 4.0 0.0
assign (resid 31 and name HZ3 and segid b) (resid 43 and name HB# and (segid b)) 6.0 4.2 0.0
assign (resid 31 and name HH2 and segid b) (resid 43 and name HA and segid b) 3.3 1.5 0.2
assign (resid 31 and name HH2 and segid b) (resid 43 and name HB# and segid b) 6.0 4.2 0.0
assign (resid 31 and name HH2 and segid b) (resid 43 and name HD2# and (segid b)) 4.8 3.0 0.2
 
! Ala 32  
 
assign (resid 32 and name HA and segid b) (resid 43 and name HD2# and (segid b)) 4.8 3.0 0.2
assign (resid 32 and name HA and segid b) (resid 43 and name HD1# and (segid b)) 4.8 3.0 0.2
assign (resid 32 and name HB# and segid b) (resid 43 and name HD1# and segid b) 5.8 4.0 0.2 
assign (resid 32 and name HB# and segid b) (resid 43 and name HD2# and (segid b)) 4.9 3.1 0.3

! Ala 35  
 
assign (resid 35 and name HB# and segid b) (resid 40 and name hb1 and (segid b)) 4.8 3.0 0.2
assign (resid 35 and name HB# and segid b) (resid 40 and name hb2 and (segid b)) 4.8 3.0 0.2
assign (resid 35 and name HB# and segid b) (resid 40 and name HD1 and (segid b)) 6.5 4.7 0.0
 
! His 40  
 
assign (resid 40 and name HB1 and segid b) (resid 43 and name HD2# and (segid b)) 4.8 3.0 0.2 
assign (resid 40 and name HB2 and segid b) (resid 43 and name HD2# and (segid b)) 4.8 3.0 0.2 
assign (resid 40 and name hb1 and segid b) (resid 43 and name HD1# and segid b) 6.5 4.7 0.0
assign (resid 40 and name hb2 and segid b) (resid 43 and name HD1# and segid b) 6.5 4.7 0.0
 
! Pro 49  
 
assign (resid 49 and name HA and segid b) (resid 88 and name HD2# and (segid b)) 3.9 2.1 0.3 
assign (resid 49 and name HD# and segid b) (resid 88 and name HB# and (segid b)) 4.9 3.1 0.3 

! Glu 52  

assign (resid 52 and name HB# and segid b) (resid 88 and name HD1# and segid b) 5.8 4.0 0.2

! Arg 53  

assign (resid 53 and name hn and segid b) (resid 88 and name hd1# and segid b) 6.5 4.7 0.0
assign (resid 53 and name hn and segid b) (resid 88 and name hd2# and segid b) 6.5 4.7 0.0 

! Leu 55  
 
assign (resid 55 and name HD1# and segid b) (resid 74 and name HD2# and segid b) 5.8 4.0 0.2

! Leu 56   

assign (resid 56 and name ha and segid b) (resid 74 and name hd1# and segid b) 4.8 3.0 0.2
assign (resid 56 and name ha and segid b) (resid 74 and name hd2# and segid b) 4.8 3.0 0.2 
assign (resid 56 and name HN and segid b) (resid 74 and name HD2# and (segid b)) 6.5 4.7 0.0 
assign (resid 56 and name HD1# and segid b) (resid 74 and name HD1# and (segid b)) 4.9 3.1 0.3
assign (resid 56 and name HD1# and segid b) (resid 76 and name HZ3 and (segid b)) 4.8 3.0 0.2 
 
! Ala 59  
 
assign (resid 59 and name HB# and segid b) (resid 73 and name HD1# and segid b) 5.8 4.0 0.2
assign (resid 59 and name HN and segid b) (resid 74 and name HG and (segid b)) 6.2 4.4 0.2
assign (resid 59 and name hn and segid b) (resid 74 and name hd2# and segid b) 4.8 3.0 0.2 
assign (resid 59 and name HB# and segid b) (resid 74 and name HD1# and (segid b)) 4.9 3.1 0.3
assign (resid 59 and name HB# and segid b) (resid 74 and name HD2# and segid b) 5.8 4.0 0.2 
 
! Leu 60  

assign (resid 60 and name HD2# and segid b) (resid 65 and name hn and segid b) 4.8 3.0 0.2 
assign (resid 60 and name HD2# and segid b) (resid 65 and name HA# and (segid b)) 5.8 4.0 0.2
assign (resid 60 and name HD2# and segid b) (resid 67 and name ha and (segid b)) 3.9 2.1 0.3
assign (resid 60 and name HN and segid b) (resid 70 and name HB# and segid b) 4.8 3.0 0.2
assign (resid 60 and name HA and segid b) (resid 70 and name HB# and segid b) 4.8 3.0 0.2  
assign (resid 60 and name HD1# and segid b) (resid 70 and name HB# and (segid b)) 5.8 4.0 0.2
assign (resid 60 and name hd2# and segid b) (resid 66 and name hn and segid b) 6.5 4.7 0.0 

! Thr 63  
 
assign (resid 63 and name hg2# and segid b) (resid 70 and name HN and segid b) 4.8 3.0 0.2  
assign (resid 63 and name hg2# and segid b) (resid 70 and name HA and segid b) 4.8 3.0 0.2 
assign (resid 63 and name HG2# and segid b) (resid 73 and name hd1# and segid b) 4.9 3.1 0.3
 
! Lys 67  
 
assign (resid 67 and name HA and segid b) (resid 81 and name HD2# and (segid b)) 4.8 3.0 0.2 
 
! Ala 70  
 
assign (resid 70 and name HA and segid b) (resid 81 and name HD1# and (segid b)) 4.8 3.0 0.2
assign (resid 70 and name HB# and segid b) (resid 81 and name HD1# and (segid b)) 4.9 3.1 0.3
assign (resid 70 and name HB# and segid b) (resid 81 and name HD2# and (segid b)) 4.9 3.1 0.3
assign (resid 70 and name HB# and segid b) (resid 81 and name HG and (segid b)) 6.5 4.7 0.0
 
! Ala 71  

assign (resid 71 and name HB# and segid b) (resid 76 and name HB1 and (segid b)) 5.8 4.0 0.2
assign (resid 71 and name HB# and segid b) (resid 76 and name HB2 and (segid b)) 5.8 4.0 0.2
assign (resid 71 and name hn and segid b) (resid 81 and name hd1# and segid b) 6.5 4.7 0.0
assign (resid 71 and name hn and segid b) (resid 81 and name hd2# and segid b) 6.5 4.7 0.0
assign (resid 71 and name ha and segid b) (resid 81 and name hd1# and segid b) 4.8 3.0 0.2 
assign (resid 71 and name ha and segid b) (resid 81 and name hd2# and segid b) 4.8 3.0 0.2 
assign (resid 71 and name HB# and segid b) (resid 81 and name HD1# and (segid b)) 4.9 3.1 0.3
 
! Leu 74 
 
assign (resid 74 and name HD1# and segid b) (resid 76 and name HE3 and (segid b)) 4.8 3.0 0.2
assign (resid 74 and name HD1# and segid b) (resid 76 and name HZ2 and (segid b)) 6.5 4.7 0.0
assign (resid 74 and name HD1# and segid b) (resid 76 and name HZ3 and (segid b)) 6.5 4.7 0.0
 
! TRP 76  
 
assign (resid 76 and name HA and segid b) (resid 80 and name HB and (segid b)) 5.0 3.2 0.0 
assign (resid 76 and name HB# and segid b) (resid 80 and name HB and (segid b)) 4.8 3.0 0.2
assign (resid 76 and name HD1 and segid b) (resid 80 and name HG2# and (segid b)) 4.8 3.0 0.2
assign (resid 76 and name HE1 and segid b) (resid 80 and name HG2# and (segid b)) 6.5 4.7 0.0
assign (resid 76 and name HE3 and segid b) (resid 81 and name HA and (segid b)) 3.3 1.5 0.2
assign (resid 76 and name HE3 and segid b) (resid 81 and name HA and (segid b)) 3.3 1.5 0.2
assign (resid 76 and name HE3 and segid b) (resid 81 and name hb1 and (segid b)) 5.0 3.2 0.0
assign (resid 76 and name HE3 and segid b) (resid 81 and name hb2 and (segid b)) 5.0 3.2 0.0
assign (resid 76 and name HE3 and segid b) (resid 81 and name HD1# and (segid b)) 4.8 3.0 0.2

! Gly 77  
 
assign (resid 77 and name HN and segid b) (resid 80 and name HG2# and (segid b)) 6.5 4.7 0.0
 
! Thr 80  
 
assign (resid 80 and name HG2# and segid b) (resid 84 and name HN and (segid b)) 6.5 4.7 0.0
 
! Thr 82  
 
assign (resid 82 and name HA and segid b) (resid 85 and name HD1# and (segid b)) 4.8 3.0 0.2

! Intramonomer NOEs for b-chain first set

! Pro 21  

assign (resid 21 and name HA and segid b) (resid 22 and name HN and segid b) 2.4 0.6 0.3

! Ser 23  

assign (resid 23 and name HA and segid b) (resid 26 and name HB and segid b) 5.0 3.2 0.0

! Trp 24  

assign (resid 24 and name ha and segid b) (resid 25 and name hn and segid b) 5.0 3.2 0.0
assign (resid 24 and name HE3 and segid b) (resid 25 and name HB# and segid b) 6.5 4.7 0.0
assign (resid 24 and name HE3 and segid b) (resid 25 and name HA and segid b) 3.3 1.5 0.2
assign (resid 24 and name HN and segid b) (resid 26 and name HN and segid b) 5.0 3.2 0.0
assign (resid 24 and name HA and segid b) (resid 26 and name HN and segid b) 5.0 3.2 0.0 
assign (resid 24 and name HA and segid b) (resid 27 and name HB1 and segid b) 3.3 1.5 0.2 
assign (resid 24 and name HA and segid b) (resid 27 and name HB2 and segid b) 3.3 1.5 0.2 
assign (resid 24 and name ha and segid b) (resid 27 and name hn and segid b) 3.3 1.5 0.2
assign (resid 24 and name HA and segid b) (resid 28 and name hn and segid b) 5.0 3.2 0.0 
assign (resid 24 and name HZ2 and segid b) (resid 28 and name HD2# and segid b) 6.5 4.7 0.0
assign (resid 24 and name HZ3 and segid b) (resid 28 and name HD2# and segid b) 4.8 3.0 0.2
 
! Ala 25  

assign (resid 25 and name hn and segid b) (resid 25 and name ha and segid b) 3.3 1.5 0.2 
assign (resid 25 and name hn and segid b) (resid 25 and name hb* and segid b) 4.8 3.0 0.2
assign (resid 25 and name hn and segid b) (resid 26 and name hn and segid b) 3.3 1.5 0.2 
assign (resid 25 and name ha and segid b) (resid 26 and name hn and segid b) 5.0 3.2 0.0
assign (resid 25 and name hb# and segid b) (resid 26 and name hn and segid b) 4.8 3.0 0.2
assign (resid 25 and name HA and segid b) (resid 27 and name HN and segid b) 5.0 3.2 0.0
assign (resid 25 and name ha and segid b) (resid 28 and name hn and segid b) 3.3 1.5 0.2
assign (resid 25 and name HA and segid b) (resid 28 and name HB1 and segid b) 2.4 0.6 0.3
assign (resid 25 and name HA and segid b) (resid 28 and name HB2 and segid b) 2.4 0.6 0.3
assign (resid 25 and name HA and segid b) (resid 29 and name HN and segid b) 5.0 3.2 0.0
 
! Thr 26  

assign (resid 26 and name hn and segid b) (resid 26 and name ha and segid b) 2.4 0.6 0.5
assign (resid 26 and name hn and segid b) (resid 26 and name hb and segid b) 2.4 0.6 0.5
assign (resid 26 and name hn and segid b) (resid 26 and name hg2# and segid b) 4.8 3.0 0.2
assign (resid 26 and name HA and segid b) (resid 26 and name HG2# and segid b) 3.9 2.1 0.3 
assign (resid 26 and name hn and segid b) (resid 27 and name hn and segid b) 2.4 0.6 0.5
assign (resid 26 and name ha and segid b) (resid 27 and name hn and segid b) 5.0 3.2 0.0
assign (resid 26 and name hn and segid b) (resid 28 and name hn and segid b) 5.0 3.2 0.0 
assign (resid 26 and name HA and segid b) (resid 28 and name hn and segid b) 5.0 3.2 0.0
assign (resid 26 and name ha and segid b) (resid 29 and name hn and segid b) 3.3 1.5 0.2
assign (resid 26 and name HA and segid b) (resid 29 and name hb# and segid b) 3.9 2.1 0.3
assign (resid 26 and name hb# and segid b) (resid 27 and name hn and segid b) 4.3 2.5 0.2
assign (resid 26 and name hg2# and segid b) (resid 27 and name hn and segid b) 6.5 4.7 0.0
 
! Leu 27  

assign (resid 27 and name hn and segid b) (resid 27 and name ha and segid b) 3.3 1.5 0.2
assign (resid 27 and name hn and segid b) (resid 27 and name hb# and segid b) 3.9 2.1 0.2
assign (resid 27 and name hn and segid b) (resid 27 and name hd1# and segid b) 6.5 4.7 0.0
assign (resid 27 and name hn and segid b) (resid 27 and name hd2# and segid b) 6.5 4.7 0.0
assign (resid 27 and name HA and segid b) (resid 27 and name HB# and segid b) 3.4 1.6 0.3
assign (resid 27 and name HA and segid b) (resid 27 and name HG and segid b) 5.0 3.2 0.0 
assign (resid 27 and name HA and segid b) (resid 27 and name HD1# and segid b) 3.9 2.1 0.3
assign (resid 27 and name HA and segid b) (resid 27 and name HD2# and segid b) 3,9 2.1 0.3
assign (resid 27 and name HA and segid b) (resid 28 and name HN and segid b) 5.0 3.2 0.0 
assign (resid 27 and name HN and segid b) (resid 29 and name hn and segid b) 5.0 3.2 0.0
assign (resid 27 and name ha and segid b) (resid 30 and name hn and segid b) 5.0 3.2 0.0 
assign (resid 27 and name HA and segid b) (resid 30 and name HB# and segid b) 4.3 2.5 0.2
assign (resid 27 and name HA and segid b) (resid 31 and name HN and segid b) 5.0 3.2 0.0
assign (resid 27 and name hb# and segid b) (resid 28 and name hn and segid b) 4.3 2.5 0.2
   
! Leu 28  

assign (resid 28 and name hn and segid b) (resid 28 and name ha and segid b) 2.4 0.6 0.5
assign (resid 28 and name hn and segid b) (resid 28 and name hb# and segid b) 5.6 3.8 0.0
assign (resid 28 and name hn and segid b) (resid 28 and name hd1# and segid b) 6.5 4.7 0.0
assign (resid 28 and name hn and segid b) (resid 28 and name hd2# and segid b) 6.5 4.7 0.0
assign (resid 28 and name ha and segid b) (resid 28 and name hg and segid b) 5.0 3.2 0.0
assign (resid 28 and name HA and segid b) (resid 28 and name HD1# and segid b) 3.9 2.1 0.3 
assign (resid 28 and name ha and segid b) (resid 31 and name hn and segid b) 3.3 1.5 0.2
assign (resid 28 and name HB# and segid b) (resid 28 and name HD1# and segid b) 4.9 3.1 0.3
assign (resid 28 and name HB1 and segid b) (resid 28 and name HD2# and segid b) 5.8 4.0 0.2
assign (resid 28 and name HB2 and segid b) (resid 28 and name HD2# and segid b) 5.8 4.0 0.2
assign (resid 28 and name hn and segid b) (resid 29 and name hn and segid b) 3.3 1.5 0.2
assign (resid 28 and name HA and segid b) (resid 31 and name HB# and segid b) 6.0 4.2 0.0
assign (resid 28 and name hd1# and segid b) (resid 31 and name HE3 and segid b) 4.8 3.0 0.2
assign (resid 28 and name hd2# and segid b) (resid 31 and name HZ3 and segid b) 4.8 3.0 0.2
 
! Ala 29  

assign (resid 29 and name hn and segid b) (resid 29 and name ha and segid b)2.4 0.6 0.5 
assign (resid 29 and name hn and segid b) (resid 29 and name hb# and segid b) 3.9 2.1 0.3
assign (resid 29 and name hn and segid b) (resid 30 and name hn and segid b) 3.3 1.5 0.2
assign (resid 29 and name ha and segid b) (resid 30 and name hn and segid b) 5.0 3.2 0.0 
assign (resid 29 and name hb# and segid b) (resid 30 and name hn and segid b) 3.9 2.1 0.3
assign (resid 29 and name HB# and segid b) (resid 30 and name HG# and segid b) 4.9 3.1 0.3
assign (resid 29 and name HA and segid b) (resid 32 and name HB# and segid b) 3.9 2.1 0.3
assign (resid 29 and name HA and segid b) (resid 33 and name HN and segid b) 5.0 3.2 0.0
    
! Gln 30  

assign (resid 30 and name hn and segid b) (resid 30 and name ha and segid b) 2.4 0.6 0.5 
assign (resid 30 and name hn and segid b) (resid 30 and name hb1 and segid b) 3.3 1.5 0.2 
assign (resid 30 and name hn and segid b) (resid 30 and name hb2 and segid b) 3.3 1.5 0.2 
assign (resid 30 and name hn and segid b) (resid 30 and name hg1 and segid b) 3.3 1.5 0.2 
assign (resid 30 and name hn and segid b) (resid 30 and name hg2 and segid b) 3.3 1.5 0.2 
assign (resid 30 and name HA and segid b) (resid 30 and name Hg1 and segid b) 3.3 1.5 0.2 
assign (resid 30 and name HA and segid b) (resid 30 and name hg2 and segid b) 3.3 1.5 0.2 
assign (resid 30 and name hn and segid b) (resid 31 and name hn and segid b) 3.3 1.5 0.2
assign (resid 30 and name ha and segid b) (resid 31 and name hn and segid b) 5.0 3.2 0.0
assign (resid 30 and name hb1 and segid b) (resid 31 and name hn and segid b) 3.3 1.5 0.2
assign (resid 30 and name hb2 and segid b) (resid 31 and name hn and segid b) 3.3 1.5 0.2
assign (resid 30 and name hg1 and segid b) (resid 31 and name hn and segid b) 5.0 3.2 0.0
assign (resid 30 and name hg2 and segid b) (resid 31 and name hn and segid b) 5.0 3.2 0.0
assign (resid 30 and name HN and segid b) (resid 32 and name HN and segid b) 5.0 3.2 0.0
assign (resid 30 and name HA and segid b) (resid 33 and name HB# and segid b) 3.4 1.6 0.3
assign (resid 30 and name HA and segid b) (resid 33 and name HN and segid b) 3.3 1.5 0.3
assign (resid 30 and name HA and segid b) (resid 34 and name HN and segid b) 5.0 3.2 0.0
    
! Trp 31  

assign (resid 31 and name hn and segid b) (resid 31 and name ha and segid b) 3.3 1.5 0.2
assign (resid 31 and name hn and segid b) (resid 31 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 31 and name hn and segid b) (resid 31 and name hb2 and segid b) 3.3 1.5 0.2
assign (resid 31 and name HB1 and segid b) (resid 31 and name HD1 and segid b) 5.0 3.2 0.0 
assign (resid 31 and name HB2 and segid b) (resid 31 and name HD1 and segid b) 5.0 3.2 0.0 
assign (resid 31 and name HB# and segid b) (resid 31 and name HE3 and segid b) 6.0 4.2 0.0
assign (resid 31 and name hn and segid b) (resid 32 and name hn and segid b) 3.3 1.5 0.2
assign (resid 31 and name ha and segid b) (resid 32 and name hn and segid b) 5.0 3.2 0.0
assign (resid 31 and name hb1 and segid b) (resid 32 and name hn and segid b) 5.0 3.2 0.0
assign (resid 31 and name hb2 and segid b) (resid 32 and name hn and segid b) 5.0 3.2 0.0
assign (resid 31 and name HE3 and segid b) (resid 32 and name hb# and segid b) 6.5 4.7 0.0
assign (resid 31 and name HN and segid b) (resid 33 and name hn and segid b) 5.0 3.2 0.0
assign (resid 31 and name HA and segid b) (resid 34 and name hn and segid b) 3.3 1.5 0.2
assign (resid 31 and name HA and segid b) (resid 35 and name hn and segid b) 5.0 3.2 0.0
   
! Ala 32  

assign (resid 32 and name hn and segid b) (resid 32 and name ha and segid b) 3.3 1.5 0.2
assign (resid 32 and name hn and segid b) (resid 32 and name hb# and segid b) 3.9 2.1 0.3
assign (resid 32 and name hn and segid b) (resid 33 and name hn and segid b) 3.3 1.5 0.2
assign (resid 32 and name ha and segid b) (resid 33 and name hn and segid b) 3.3 1.5 0.2
assign (resid 32 and name hn and segid b) (resid 34 and name hn and segid b) 5.0 3.2 0.0
assign (resid 32 and name ha and segid b) (resid 34 and name hn and segid b) 5.0 3.2 0.0 
assign (resid 32 and name ha and segid b) (resid 35 and name hn and segid b) 5.0 3.2 0.0
assign (resid 32 and name HA and segid b) (resid 35 and name HB# and segid b) 3.4 1.6 0.3
assign (resid 32 and name HA and segid b) (resid 36 and name HN and segid b) 5.0 3.2 0.0
 
! Asp 33  

assign (resid 33 and name hn and segid b) (resid 33 and name ha and segid b) 3.3 1.5 0.2
assign (resid 33 and name hn and segid b) (resid 33 and name hb* and segid b) 4.3 2.5 0.2
assign (resid 33 and name HA and segid b) (resid 33 and name HB# and segid b) 3.4 1.6 0.3
assign (resid 33 and name hn and segid b) (resid 34 and name hn and segid b) 2.4 0.6 0.5
assign (resid 33 and name hb* and segid b) (resid 34 and name hn and segid b) 4.3 2.5 0.2
assign (resid 33 and name hn and segid b) (resid 36 and name hd1# and segid b) 6.5 4.7 0.0
assign (resid 33 and name ha and segid b) (resid 36 and name hn and segid b) 5.0 3.2 0.0
assign (resid 33 and name HA and segid b) (resid 36 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 33 and name HA and segid b) (resid 36 and name hb2 and segid b) 3.3 1.5 0.2


! Arg 34  

assign (resid 34 and name hn and segid b) (resid 34 and name ha and segid b) 2.4 0.6 0.5
assign (resid 34 and name hn and segid b) (resid 34 and name hb* and segid b) 4.3 2.5 0.2
assign (resid 34 and name hn and segid b) (resid 34 and name hd# and segid b) 6.0 4.2 0.0
assign (resid 34 and name hn and segid b) (resid 34 and name hd# and segid b) 6.0 4.2 0.0
assign (resid 34 and name HA and segid b) (resid 34 and name HD# and segid b) 4.3 2.5 0.2 
assign (resid 34 and name hn and segid b) (resid 35 and name hn and segid b) 2.4 0.6 0.5
assign (resid 34 and name ha and segid b) (resid 35 and name hn and segid b) 3.3 1.5 0.2
assign (resid 34 and name hn and segid b) (resid 36 and name hn and segid b) 5.0 3.2 0.0
assign (resid 34 and name ha and segid b) (resid 37 and name hn and segid b) 5.0 3.2 0.0
assign (resid 34 and name hb* and segid b) (resid 35 and name hn and segid b) 4.3 2.5 0.2

! Ala 35  

assign (resid 35 and name hn and segid b) (resid 35 and name ha and segid b) 2.4 0.6 0.5
assign (resid 35 and name hn and segid b) (resid 35 and name hb# and segid b) 3.9 2.1 0.3
assign (resid 35 and name hn and segid b) (resid 36 and name hn and segid b) 3.3 1.5 0.2
assign (resid 35 and name ha and segid b) (resid 37 and name hn and segid b) 5.0 3.2 0.0
assign (resid 35 and name ha and segid b) (resid 38 and name hn and segid b) 5.0 3.2 0.0
assign (resid 35 and name hb# and segid b) (resid 36 and name hn and segid b) 4.3 2.5 0.2

! Leu 36  

assign (resid 36 and name hn and segid b) (resid 36 and name ha and segid b) 2.4 0.6 0.5
assign (resid 36 and name hn and segid b) (resid 36 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 36 and name hn and segid b) (resid 36 and name hb2 and segid b) 3.3 1.5 0.2
assign (resid 36 and name hn and segid b) (resid 36 and name hd1# and segid b) 3.9 2.1 0.3
assign (resid 36 and name hn and segid b) (resid 36 and name hd2# and segid b) 4.8 3.0 0.2  
assign (resid 36 and name ha and segid b) (resid 36 and name hg and segid b) 3.3 1.5 0.2  
assign (resid 36 and name HA and segid b) (resid 36 and name HD1# and segid b) 3.9 2.1 0.3
assign (resid 36 and name HA and segid b) (resid 36 and name HB# and segid b) 3.4 1.6 0.3
assign (resid 36 and name HB# and segid b) (resid 36 and name HD1# and segid b) 4.9 3.1 0.3
assign (resid 36 and name hn and segid b) (resid 37 and name hn and segid b) 3.3 1.5 0.2
assign (resid 36 and name ha and segid b) (resid 37 and name hn and segid b) 5.0 3.2 0.0
assign (resid 36 and name hb# and segid b) (resid 37 and name hn and segid b) 4.3 2.5 0.2
assign (resid 36 and name hd1# and segid b) (resid 37 and name hn and segid b) 6.5 4.7 0.0 
assign (resid 36 and name hd2# and segid b) (resid 37 and name hn and segid b) 6.5 4.7 0.0
assign (resid 36 and name hn and segid b) (resid 38 and name hn and segid b) 5.0 3.2 0.0
assign (resid 36 and name ha and segid b) (resid 40 and name hn and segid b) 3.3 1.5 0.2 
  
! Arg 37  

assign (resid 37 and name hn and segid b) (resid 37 and name ha and segid b) 2.4 0.6 0.5
assign (resid 37 and name hn and segid b) (resid 38 and name hn and segid b) 3.3 1.5 0.2
assign (resid 37 and name ha and segid b) (resid 38 and name hn and segid b) 3.3 1.5 0.2

! Ser 38  

assign (resid 38 and name hn and segid b) (resid 38 and name ha and segid b) 3.3 1.5 0.2 
assign (resid 38 and name hn and segid b) (resid 38 and name hb* and segid b) 4.3 2.5 0.2
assign (resid 38 and name hb# and segid b) (resid 39 and name hn and segid b) 4.3 2.5 0.2

! Gly 39  

assign (resid 39 and name hn and segid b) (resid 39 and name ha1 and segid b) 2.4 0.6 0.5
assign (resid 39 and name hn and segid b) (resid 39 and name ha2 and segid b) 2.4 0.6 0.5
assign (resid 39 and name hn and segid b) (resid 40 and name hn and segid b) 3.3 1.5 0.2
assign (resid 39 and name ha1 and segid b) (resid 40 and name hn and segid b) 5.0 3.2 0.0
assign (resid 39 and name ha2 and segid b) (resid 40 and name hn and segid b) 5.0 3.2 0.0
 
! His 40  
 
assign (resid 40 and name hn and segid b) (resid 40 and name ha and segid b) 3.3 1.5 0.2
assign (resid 40 and name hn and segid b) (resid 40 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 40 and name hn and segid b) (resid 40 and name hd1 and segid b) 3.3 1.5 0.2 
assign (resid 40 and name hn and segid b) (resid 40 and name hb2 and segid b) 3.3 1.5 0.2
assign (resid 40 and name HA and segid b) (resid 40 and name HB1 and segid b) 2.4 0.6 0.3
assign (resid 40 and name HA and segid b) (resid 40 and name HB2 and segid b) 2.4 0.6 0.3
assign (resid 40 and name HA and segid b) (resid 41 and name hn and segid b) 2.4 0.6 0.3
assign (resid 40 and name hb1 and segid b) (resid 41 and name hn and segid b) 5.0 3.2 0.0
assign (resid 40 and name hb2 and segid b) (resid 41 and name hn and segid b) 5.0 3.2 0.0

! Gln 41  

assign (resid 41 and name hn and segid b) (resid 41 and name ha and segid b) 2.4 0.6 0.5
assign (resid 41 and name hn and segid b) (resid 41 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 41 and name hn and segid b) (resid 41 and name hb2 and segid b) 3.3 1.5 0.2 
assign (resid 41 and name hn and segid b) (resid 42 and name hn and segid b) 5.0 3.2 0.0
assign (resid 41 and name hb1 and segid b) (resid 42 and name hn and segid b) 5.0 3.2 0.0
assign (resid 41 and name hb2 and segid b) (resid 42 and name hn and segid b) 5.0 3.2 0.0
  
! Asn 42  

assign (resid 42 and name hn and segid b) (resid 42 and name ha and segid b) 2.4 0.6 0.5
assign (resid 42 and name hn and segid b) (resid 42 and name hb1 and segid b) 5.0 3.2 0.0
assign (resid 42 and name hn and segid b) (resid 42 and name hb2 and segid b) 5.0 3.2 0.0
assign (resid 42 and name HA and segid b) (resid 42 and name HB1 and segid b) 3.3 1.5 0.2
assign (resid 42 and name HA and segid b) (resid 42 and name HB2 and segid b) 3.3 1.5 0.2 
assign (resid 42 and name hn and segid b) (resid 43 and name hn and segid b) 5.0 3.2 0.0
assign (resid 42 and name ha and segid b) (resid 43 and name hn and segid b) 3.3 1.5 0.2 
assign (resid 42 and name HA and segid b) (resid 43 and name hb# and segid b) 6.0 4.2 0.0 
assign (resid 42 and name ha and segid b) (resid 45 and name hn and segid b) 5.0 3.2 0.0 
     
! Leu 43  

assign (resid 43 and name hn and segid b) (resid 43 and name ha and segid b) 3.3 1.5 0.2
assign (resid 43 and name hn and segid b) (resid 43 and name hb* and segid b) 4.3 2.5 0.2 
assign (resid 43 and name hn and segid b) (resid 43 and name hg and segid b) 3.3 1.5 0.0
assign (resid 43 and name hn and segid b) (resid 43 and name hd1# and segid b) 6.5 4.7 0.0
assign (resid 43 and name hn and segid b) (resid 43 and name hd2# and segid b) 6.5 4.7 0.0
assign (resid 43 and name ha and segid b) (resid 43 and name hb# and segid b) 3.4 1.6 0.3
assign (resid 43 and name HA and segid b) (resid 43 and name HD1# and segid b) 4.8 3.0 0.2 
assign (resid 43 and name HA and segid b) (resid 43 and name HD2# and segid b) 3.9 2.1 0.3 
assign (resid 43 and name HB# and segid b) (resid 43 and name HD1# and segid b) 4.9 3.1 0.3
assign (resid 43 and name hb# and segid b) (resid 44 and name hn and segid b) 4.3 2.5 0.2 
assign (resid 43 and name hn and segid b) (resid 44 and name hn and segid b) 5.0 3.2 0.0
assign (resid 43 and name ha and segid b) (resid 44 and name hn and segid b) 5.0 3.2 0.0
assign (resid 43 and name ha and segid b) (resid 46 and name hn and segid b) 5.0 3.2 0.0
assign (resid 43 and name HA and segid b) (resid 46 and name HB# and segid b) 6.0 4.2 0.0
 
! Leu 44  

assign (resid 44 and name hn and segid b) (resid 44 and name ha and segid b) 2.4 0.6 0.5
assign (resid 44 and name hn and segid b) (resid 44 and name hb1 and segid b) 3.3 1.5 0.2 
assign (resid 44 and name hn and segid b) (resid 44 and name hb2 and segid b) 3.3 1.5 0.2 
assign (resid 44 and name hn and segid b) (resid 44 and name hg and segid b) 3.3 1.5 0.2
assign (resid 44 and name hn and segid b) (resid 44 and name hd1# and segid b) 6.5 4.7 0.0
assign (resid 44 and name hn and segid b) (resid 44 and name hd2# and segid b) 6.5 4.7 0.0
assign (resid 44 and name ha and segid b) (resid 44 and name hb# and segid b) 4.3 2.5 0.2
assign (resid 44 and name HA and segid b) (resid 44 and name HG and segid b) 3.3 1.5 0.2
assign (resid 44 and name ha and segid b) (resid 44 and name hd2# and segid b) 3.9 2.1 0.3
assign (resid 44 and name hb# and segid b) (resid 44 and name hd2# and segid b) 5.8 4.0 0.2 
assign (resid 44 and name hb# and segid b) (resid 44 and name hd1# and segid b) 5.8 4.0 0.2  
assign (resid 44 and name hn and segid b) (resid 45 and name hn and segid b) 3.3 1.5 0.2
assign (resid 44 and name ha and segid b) (resid 45 and name hn and segid b) 3.3 1.5 0.2   
assign (resid 44 and name ha and segid b) (resid 47 and name hn and segid b) 5.0 3.2 0.0
assign (resid 44 and name ha and segid b) (resid 47 and name HB# and segid b) 4.8 3.0 0.2
assign (resid 44 and name hb1 and segid b) (resid 45 and name hn and segid b) 3.3 1.5 0.2
assign (resid 44 and name hb2 and segid b) (resid 45 and name hn and segid b) 3.3 1.5 0.2
assign (resid 44 and name hd2# and segid b) (resid 45 and name hn and segid b) 6.5 4.7 0.0
assign (resid 44 and name HA and segid b) (resid 48 and name HN and segid b) 5.0 3.2 0.0

! Ser 45  

assign (resid 45 and name hn and segid b) (resid 45 and name ha and segid b) 2.4 0.6 0.5
assign (resid 45 and name hn and segid b) (resid 46 and name hn and segid b) 3.3 1.5 0.2 
assign (resid 45 and name ha and segid b) (resid 46 and name hn and segid b) 5.0 3.2 0.0
assign (resid 45 and name hb* and segid b) (resid 46 and name hn and segid b) 4.3 2.5 0.2
assign (resid 45 and name HA and segid b) (resid 48 and name HB# and segid b) 6.0 4.2 0.2
   
! Glu 46  

assign (resid 46 and name hn and segid b) (resid 46 and name ha and segid b) 3.3 1.5 0.2
assign (resid 46 and name hn and segid b) (resid 46 and name hg# and segid b) 3.9 2.1 0.2
assign (resid 46 and name HA and segid b) (resid 46 and name HG1 and segid b) 2.4 0.6 0.3
assign (resid 46 and name HA and segid b) (resid 46 and name HG2 and segid b) 2.4 0.6 0.3   
assign (resid 46 and name hn and segid b) (resid 47 and name hn and segid b) 2.4 0.6 0.3
 
! Ala 47  

assign (resid 47 and name hn and segid b) (resid 47 and name ha and segid b) 5.0 3.2 0.0
assign (resid 47 and name hn and segid b) (resid 47 and name hb# and segid b) 4.8 3.0 0.2
assign (resid 47 and name hn and segid b) (resid 48 and name hn and segid b) 3.3 1.5 0.2
assign (resid 47 and name hb# and segid b) (resid 48 and name hn and segid b) 4.8 3.0 0.2
assign (resid 47 and name ha and segid b) (resid 50 and name hn and segid b) 5.0 3.2 0.0
assign (resid 47 and name ha and segid b) (resid 50 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 47 and name ha and segid b) (resid 50 and name hb2 and segid b) 3.3 1.5 0.2
 
! Gln 48  

assign (resid 48 and name hn and segid b) (resid 48 and name ha and segid b) 3.3 1.5 0.2
assign (resid 48 and name hn and segid b) (resid 48 and name hg# and segid b) 5.6 3.8 0.0
assign (resid 48 and name HA and segid b) (resid 48 and name HG1 and segid b) 2.4 0.6 0.3
assign (resid 48 and name HA and segid b) (resid 48 and name HG2 and segid b) 2.4 0.6 0.3 
assign (resid 48 and name hn and segid b) (resid 49 and name hd1 and segid b) 3.3 1.5 0.2
assign (resid 48 and name hn and segid b) (resid 49 and name hd2 and segid b) 3.3 1.5 0.2
assign (resid 48 and name ha and segid b) (resid 51 and name HN and segid b) 5.0 3.2 0.0
 
! Pro 49  

assign (resid 49 and name ha and segid b) (resid 50 and name hn and segid b) 5.0 3.2 0.0
assign (resid 49 and name hd1 and segid b) (resid 50 and name hn and segid b) 5.0 3.2 0.0
assign (resid 49 and name hd2 and segid b) (resid 50 and name hn and segid b) 5.0 3.2 0.0
assign (resid 49 and name ha and segid b) (resid 52 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 49 and name ha and segid b) (resid 52 and name hb2 and segid b) 3.3 1.5 0.2
 
! Glu 50  

assign (resid 50 and name hn and segid b) (resid 50 and name ha and segid b) 3.3 1.5 0.2
assign (resid 50 and name hn and segid b) (resid 50 and name hg# and segid b) 4.3 2.5 0.2
assign (resid 50 and name ha and segid b) (resid 50 and name hg# and segid b) 4.3 2.5 0.2
assign (resid 50 and name hn and segid b) (resid 51 and name hn and segid b) 3.3 1.5 0.2
assign (resid 50 and name ha and segid b) (resid 51 and name hn and segid b) 5.0 3.2 0.0
assign (resid 50 and name ha and segid b) (resid 53 and name hn and segid b) 5.0 3.2 0.0
assign (resid 50 and name ha and segid b) (resid 53 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 50 and name ha and segid b) (resid 53 and name hb2 and segid b) 3.3 1.5 0.2
! Leu 51  

assign (resid 51 and name hn and segid b) (resid 51 and name ha and segid b) 5.0 3.2 0.0
assign (resid 51 and name ha and segid b) (resid 51 and name hd1# and segid b) 3.9 2.1 0.3 
assign (resid 51 and name hb# and segid b) (resid 52 and name hN And segid b) 6.0 4.3 0.0
assign (resid 51 and name hn and segid b) (resid 52 and name hn and segid b) 3.3 1.5 0.2 
assign (resid 51 and name ha and segid b) (resid 52 and name hn and segid b) 5.0 3.2 0.0
assign (resid 51 and name HA and segid b) (resid 54 and name HB and segid b) 3.3 1.5 0.2
    
! Glu 52  

assign (resid 52 and name hn and segid b) (resid 52 and name ha and segid b) 3.3 1.5 0.2
assign (resid 52 and name hn and segid b) (resid 53 and name hn and segid b) 3.3 1.5 0.2 
assign (resid 52 and name ha and segid b) (resid 53 and name hn and segid b) 5.0 3.2 0.0
assign (resid 52 and name hn and segid b) (resid 88 and name hd1# and segid b) 4.8 3.0 0.2 
    
! Arg 53  

assign (resid 53 and name hn and segid b) (resid 53 and name ha and segid b) 3.3 1.5 0.2
assign (resid 53 and name hn and segid b) (resid 54 and name hn and segid b) 3.3 1.5 0.2
assign (resid 53 and name ha and segid b) (resid 54 and name hn and segid b) 5.0 3.2 0.0
assign (resid 53 and name ha and segid b) (resid 56 and name hb1 and segid b) 3.3 1.5 0.2 
assign (resid 53 and name HA and segid b) (resid 56 and name hb2 and segid b) 3.3 1.5 0.2 
 
! Thr 54  

assign (resid 54 and name hn and segid b) (resid 54 and name ha and segid b) 3.3 1.5 0.2
assign (resid 54 and name hn and segid b) (resid 54 and name hb and segid b) 2.4 0.6 0.3 
assign (resid 54 and name hn and segid b) (resid 54 and name hg2# and segid b) 6.5 4.7 0.0
assign (resid 54 and name hn and segid b) (resid 55 and name hn and segid b) 3.3 1.5 0.2
assign (resid 54 and name hb and segid b) (resid 55 and name hn and segid b) 3.3 1.5 0.2
assign (resid 54 and name ha and segid b) (resid 57 and name hn and segid b) 5.0 3.2 0.0
assign (resid 54 and name ha and segid b) (resid 57 and name hb and segid b) 3.3 1.5 0.2
   
! Leu 55  

assign (resid 55 and name hn and segid b) (resid 55 and name ha and segid b) 3.3 1.5 0.2
assign (resid 55 and name hn and segid b) (resid 55 and name hb# and segid b) 3.9 2.1 0.2
assign (resid 55 and name hn and segid b) (resid 55 and name hg and segid b) 5.0 3.2 0.0 
assign (resid 55 and name hn and segid b) (resid 55 and name hd2# and segid b) 4.8 3.0 0.2
assign (resid 55 and name ha and segid b) (resid 55 and name hb# and segid b) 4.3 2.5 0.2
assign (resid 55 and name ha and segid b) (resid 55 and name hg and segid b) 5.0 3.2 0.0
assign (resid 55 and name ha and segid b) (resid 55 and name hd1# and segid b) 6.5 4.7 0.0
assign (resid 55 and name ha and segid b) (resid 55 and name hd2# and segid b) 3.9 2.1 0.3 
assign (resid 55 and name HB# and segid b) (resid 55 and name HD1# and segid b) 5.8 4.0 0.2
assign (resid 55 and name HB# and segid b) (resid 55 and name HD2# and segid b) 5.8 4.0 0.2
assign (resid 55 and name hn and segid b) (resid 56 and name hn and segid b) 3.3 1.5 0.2
assign (resid 55 and name ha and segid b) (resid 56 and name hn and segid b) 5.0 3.2 0.0 
assign (resid 55 and name HD1# and segid b) (resid 56 and name HA and segid b) 4.8 3.0 0.2
assign (resid 55 and name HA and segid b) (resid 58 and name HB and segid b) 3.3 1.5 0.2
assign (resid 55 and name ha and segid b) (resid 58 and name HN and segid b) 5.0 3.2 0.0 

! Leu 56  

assign (resid 56 and name hn and segid b) (resid 56 and name ha and segid b) 3.3 1.5 0.2
assign (resid 56 and name hn and segid b) (resid 56 and name hb# and segid b) 3.0 1.2 0.3
assign (resid 56 and name hn and segid b) (resid 56 and name hd1# and segid b) 4.8 3.0 0.2
assign (resid 56 and name hn and segid b) (resid 56 and name hd2# and segid b) 6.5 4.7 0.0
assign (resid 56 and name ha and segid b) (resid 56 and name hg and segid b) 3.3 1.5 0.2  
assign (resid 56 and name ha and segid b) (resid 56 and name hd1# and segid b) 3.9 2.1 0.3
assign (resid 56 and name HB# and segid b) (resid 56 and name HD1# and segid b) 4.9 3.1 0.3
assign (resid 56 and name HB# and segid b) (resid 57 and name hn and segid b) 3.9 2.1 0.2
assign (resid 56 and name hn and segid b) (resid 57 and name hn and segid b) 3.3 1.5 0.2
assign (resid 56 and name ha and segid b) (resid 57 and name hn and segid b) 5.0 3.2 0.0
assign (resid 56 and name HA and segid b) (resid 59 and name HB# and segid b) 6.5 4.7 0.0
assign (resid 56 and name HA and segid b) (resid 59 and name HN and segid b) 5.0 3.2 0.0 
! Thr 57  

assign (resid 57 and name hn and segid b) (resid 57 and name ha and segid b) 3.3 1.5 0.2
assign (resid 57 and name hn and segid b) (resid 57 and name hb and segid b) 2.4 0.6 0.3
assign (resid 57 and name hn and segid b) (resid 57 and name hg2# and segid b) 4.8 3.0 0.2  
assign (resid 57 and name hn and segid b) (resid 58 and name hn and segid b) 3.3 1.5 0.2
assign (resid 57 and name hb and segid b) (resid 58 and name hn and segid b) 3.3 1.5 0.2
assign (resid 57 and name ha and segid b) (resid 60 and name hn and segid b) 5.0 3.2 0.0
assign (resid 57 and name ha and segid b) (resid 60 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 57 and name ha and segid b) (resid 60 and name hb2 and segid b) 3.3 1.5 0.2  

! Thr 58  

assign (resid 58 and name hn and segid b) (resid 58 and name ha and segid b) 3.3 1.5 0.2 
assign (resid 58 and name hn and segid b) (resid 58 and name hb and segid b) 2.4 0.6 0.3
assign (resid 58 and name hn and segid b) (resid 58 and name hg2* and segid b) 4.8 3.0 0.2 
assign (resid 58 and name ha and segid b) (resid 58 and name hg2# and segid b) 3.9 2.1 0.3
assign (resid 58 and name hn and segid b) (resid 59 and name hn and segid b) 3.3 1.5 0.2
assign (resid 58 and name ha and segid b) (resid 61 and name hn and segid b) 3.3 1.5 0.2  
assign (resid 58 and name hb and segid b) (resid 59 and name hn and segid b) 3.3 1.5 0.2
assign (resid 58 and name hg# and segid b) (resid 59 and name hn and segid b) 4.8 3.0 0.2

! Ala 59  

assign (resid 59 and name hn and segid b) (resid 59 and name ha and segid b) 3.3 1.5 0.2
assign (resid 59 and name hn and segid b) (resid 59 and name hb# and segid b) 2.4 0.6 0.3
assign (resid 59 and name hn and segid b) (resid 60 and name hn and segid b) 3.3 1.5 0.2
assign (resid 59 and name ha and segid b) (resid 60 and name hn and segid b) 5.0 3.2 0.0
assign (resid 59 and name ha and segid b) (resid 60 and name hb# and segid b) 6.0 4.2 0.0 
assign (resid 59 and name ha and segid b) (resid 62 and name hn and segid b) 3.3 1.5 0.2
assign (resid 59 and name HA and segid b) (resid 62 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 59 and name HA and segid b) (resid 62 and name hb2 and segid b) 3.3 1.5 0.2
assign (resid 59 and name hb# and segid b) (resid 60 and name hn and segid b) 3.9 2.1 0.3

! Leu 60  

assign (resid 60 and name hn and segid b) (resid 60 and name ha and segid b) 3.3 1.5 0.2
assign (resid 60 and name hn and segid b) (resid 60 and name hd1# and segid b) 6.5 4.7 0.0
assign (resid 60 and name hn and segid b) (resid 60 and name hd2# and segid b) 6.5 4.7 0.0
assign (resid 60 and name ha and segid b) (resid 60 and name hg and segid b) 3.3 1.5 0.2
assign (resid 60 and name ha and segid b) (resid 60 and name hd1# and segid b) 4.8 3.0 0.2
assign (resid 60 and name hb# and segid b) (resid 60 and name hn and segid b) 3.3 1.5 0.2
assign (resid 60 and name hb# and segid b) (resid 60 and name hn and segid b) 3.3 1.5 0.2 
assign (resid 60 and name hb# and segid b) (resid 60 and name hd2# and segid b) 5.8 4.0 0.2
assign (resid 60 and name hb# and segid b) (resid 60 and name HD1# and segid b) 5.8 4.0 0.2
assign (resid 60 and name hn and segid b) (resid 61 and name hn and segid b) 3.3 1.5 0.2
assign (resid 60 and name ha and segid b) (resid 63 and name hn and segid b) 3.3 1.5 0.2
assign (resid 60 and name hg and segid b) (resid 61 and name hn and segid b) 3.3 1.5 0.2 
assign (resid 60 and name hg and segid b) (resid 61 and name ha and segid b) 3.3 1.5 0.2 
assign (resid 60 and name hd1# and segid b) (resid 61 and name hn and segid b) 6.5 4.7 0.0
assign (resid 60 and name hd2# and segid b) (resid 61 and name hn and segid b) 6.5 4.7 0.0
 
! Arg 61  

assign (resid 61 and name hn and segid b) (resid 61 and name ha and segid b) 3.3 1.5 0.2
assign (resid 61 and name hn and segid b) (resid 62 and name hn and segid b) 3.3 1.5 0.2
assign (resid 61 and name ha and segid b) (resid 62 and name hn and segid b) 5.0 3.2 0.0
assign (resid 61 and name ha and segid b) (resid 64 and name hn and segid b) 3.3 1.5 0.2
assign (resid 61 and name HA and segid b) (resid 64 and name hb# and segid b) 4.3 2.5 0.2

! His 62  

assign (resid 62 and name hn and segid b) (resid 62 and name ha and segid b) 3.3 1.5 0.2
assign (resid 62 and name hn and segid b) (resid 62 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 62 and name hn and segid b) (resid 62 and name hb2 and segid b) 3.3 1.5 0.2
assign (resid 62 and name hn and segid b) (resid 62 and name hd1 and segid b) 5.0 3.2 0.0
assign (resid 62 and name HA and segid b) (resid 62 and name HB1 and segid b) 3.3 1.5 0.2 
assign (resid 62 and name HA and segid b) (resid 62 and name HB2 and segid b) 3.3 1.5 0.2 
assign (resid 62 and name HB# and segid b) (resid 62 and name HD2 and segid b) 6.0 4.2 0.0
assign (resid 62 and name hb1 and segid b) (resid 63 and name hn and segid b) 5.0 3.2 0.0
assign (resid 62 and name hb2 and segid b) (resid 63 and name hn and segid b) 5.0 3.2 0.0
assign (resid 62 and name HB# and segid b) (resid 63 and name HG2# and segid b) 5.8 4.0 0.2
assign (resid 62 and name HD2 and segid b) (resid 63 and name HG2# and segid b) 4.8 3.0 0.2
 
! Thr 63  

assign (resid 63 and name hn and segid b) (resid 63 and name ha and segid b) 3.3 1.5 0.2
assign (resid 63 and name hn and segid b) (resid 63 and name hg2# and segid b) 4.8 3.0 0.2
assign (resid 63 and name HA and segid b) (resid 63 and name HG2# and segid b) 3.0 2.1 0.3
assign (resid 63 and name hn and segid b) (resid 64 and name hn and segid b) 3.3 1.5 0.2
assign (resid 63 and name ha and segid b) (resid 64 and name hn and segid b) 3.3 1.5 0.2
assign (resid 63 and name ha and segid b) (resid 66 and name hn and segid b) 5.0 3.2 0.0
assign (resid 63 and name hg2# and segid b) (resid 64 and name hn and segid b) 6.5 4.7 0.0 
  
! Gln 64  

assign (resid 64 and name hn and segid b) (resid 64 and name ha and segid b) 2.4 0.6 0.3
assign (resid 64 and name hn and segid b) (resid 64 and name hg# and segid b) 3.9 2.1 0.2 
assign (resid 64 and name HA and segid b) (resid 64 and name HG# and segid b) 3.4 1.6 0.3
assign (resid 64 and name ha and segid b) (resid 65 and name hn and segid b) 3.3 1.5 0.2  
assign (resid 64 and name hn and segid b) (resid 65 and name hn and segid b) 5.0 3.2 0.0 
assign (resid 64 and name ha and segid b) (resid 65 and name hn and segid b) 3.3 1.5 0.2 
assign (resid 64 and name hg# and segid b) (resid 65 and name hn and segid b) 5.0 3.2 0.0
  
! Gly 65  

assign (resid 65 and name hn and segid b) (resid 65 and name ha1 and segid b) 3.3 1.5 0.2
assign (resid 65 and name hn and segid b) (resid 65 and name ha2 and segid b) 3.3 1.5 0.2 
assign (resid 65 and name hn and segid b) (resid 66 and name hn and segid b) 3.3 1.5 0.2
assign (resid 65 and name ha# and segid b) (resid 66 and name hn and segid b) 4.3 2.5 0.2
assign (resid 65 and name ha1 and segid b) (resid 66 and name hn and segid b) 5.0 3.2 0.0 
assign (resid 65 and name ha2 and segid b) (resid 66 and name hn and segid b) 5.0 3.2 0.0 
  
! His 66  

assign (resid 66 and name hn and segid b) (resid 66 and name ha and segid b) 3.3 1.5 0.2 
assign (resid 66 and name hn and segid b) (resid 66 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 66 and name hn and segid b) (resid 66 and name hb2 and segid b) 3.3 1.5 0.2
assign (resid 66 and name hn and segid b) (resid 66 and name hd1 and segid b) 5.0 3.2 0.0
 
! Lys 67  

assign (resid 67 and name HA and segid b) (resid 68 and name hb# and segid b) 6.0 4.2 0.0 
assign (resid 67 and name HA and segid b) (resid 70 and name HB# and segid b) 3.9 2.1 0.3
assign (resid 67 and name ha and segid b) (resid 70 and name hn and segid b) 5.0 3.2 0.0 

! Gln 68  

assign (resid 68 and name hn and segid b) (resid 68 and name ha and segid b) 5.0 3.2 0.0
assign (resid 68 and name hn and segid b) (resid 68 and name hb# and segid b) 4.3 2.5 0.2
assign (resid 68 and name hn and segid b) (resid 68 and name hg# and segid b) 6.0 4.2 0.0
assign (resid 68 and name ha and segid b) (resid 68 and name hb# and segid b) 4.3 2.5 0.2
assign (resid 68 and name HA and segid b) (resid 68 and name HG# and segid b) 4.3 2.5 0.2
assign (resid 68 and name hn and segid b) (resid 69 and name hn and segid b) 5.0 3.2 0.0
assign (resid 68 and name hn and segid b) (resid 69 and name hn and segid b) 6.0 4.2 0.0 
assign (resid 68 and name ha and segid b) (resid 69 and name hn and segid b) 5.0 3.2 0.0
assign (resid 68 and name HA and segid b) (resid 71 and name hb# and segid b) 3.9 2.1 0.3
assign (resid 68 and name ha and segid b) (resid 71 and name hn and segid b) 5.0 3.2 0.0

! Glu 69  

assign (resid 69 and name hn and segid b) (resid 69 and name ha and segid b) 3.3 1.5 0.2
assign (resid 69 and name hn and segid b) (resid 70 and name hn and segid b) 3.3 1.5 0.2
assign (resid 69 and name ha and segid b) (resid 70 and name hn and segid b) 5.0 3.2 0.0
assign (resid 69 and name hn and segid b) (resid 71 and name hn and segid b) 5.0 3.2 0.0 
assign (resid 69 and name ha and segid b) (resid 72 and name hn and segid b) 5.0 3.2 0.0
assign (resid 69 and name ha and segid b) (resid 72 and name hb# and segid b) 4.3 2.5 0.2
  
! Ala 70  

assign (resid 70 and name hn and segid b) (resid 70 and name ha and segid b) 3.3 1.5 0.2
assign (resid 70 and name hn and segid b) (resid 70 and name hb# and segid b) 4.8 3.0 0.2
assign (resid 70 and name hn and segid b) (resid 71 and name hn and segid b) 3.3 1.5 0.2
assign (resid 70 and name ha and segid b) (resid 73 and name hn and segid b) 3.3 1.5 0.2 
assign (resid 70 and name ha and segid b) (resid 73 and name hb1 and segid b) 5.0 3.2 0.0
assign (resid 70 and name ha and segid b) (resid 73 and name hb2 and segid b) 5.0 3.2 0.0
assign (resid 70 and name HA and segid b) (resid 74 and name HD1# and segid b) 3.9 2.1 0.3

! Ala 71  

assign (resid 71 and name hn and segid b) (resid 71 and name ha and segid b) 3.3 1.5 0.2
assign (resid 71 and name hn and segid b) (resid 71 and name hb# and segid b) 3.9 2.1 0.3
assign (resid 71 and name hn and segid b) (resid 72 and name hn and segid b) 3.3 1.5 0.2
assign (resid 71 and name ha and segid b) (resid 72 and name hn and segid b) 5.0 3.2 0.0
assign (resid 71 and name hb# and segid b) (resid 72 and name hn and segid b) 6.5 4.7 0.0
assign (resid 71 and name HA and segid b) (resid 74 and name hb# and segid b) 6.0 4.2 0.0
assign (resid 71 and name ha and segid b) (resid 74 and name hn and segid b) 5.0 3.2 0.0

! Arg 72  

assign (resid 72 and name hn and segid b) (resid 72 and name ha and segid b) 3.3 1.5 0.2
assign (resid 72 and name hn and segid b) (resid 73 and name hn and segid b) 5.0 3.2 0.0
assign (resid 72 and name ha and segid b) (resid 73 and name hn and segid b) 5.0 3.2 0.0
assign (resid 72 and name ha and segid b) (resid 75 and name hn and segid b) 3.3 1.5 0.2
assign (resid 72 and name ha and segid b) (resid 76 and name hn and segid b) 3.3 1.5 0.2
 
! Leu 73  

assign (resid 73 and name hn and segid b) (resid 73 and name hb# and segid b) 6.0 4.2 0.0
assign (resid 73 and name hn and segid b) (resid 73 and name hd1# and segid b) 4.8 3.0 0.2
assign (resid 73 and name hn and segid b) (resid 73 and name hd2# and segid b) 4.8 3.0 0.2
assign (resid 73 and name hn and segid b) (resid 74 and name hn and segid b) 5.0 3.2 0.0
assign (resid 73 and name HA and segid b) (resid 73 and name HD2# and segid b) 3.9 2.1 0.3
assign (resid 73 and name HB1 and segid b) (resid 73 and name HD2# and segid b) 5.8 4.0 0.2
assign (resid 73 and name HB2 and segid b) (resid 73 and name HD2# and segid b) 5.8 4.0 0.2
assign (resid 73 and name hb1 and segid b) (resid 74 and name hn and segid b) 3.3 1.5 0.2
assign (resid 73 and name hb2 and segid b) (resid 74 and name hn and segid b) 3.3 1.5 0.2
assign (resid 73 and name HD# and segid b) (resid 74 and name HN and segid b) 7.9 6.1 0.0
assign (resid 73 and name hn and segid b) (resid 75 and name hn and segid b) 5.0 3.2 0.0
 
! Leu 74  

assign (resid 74 and name hn and segid b) (resid 74 and name ha and segid b) 3.3 1.5 0.2
assign (resid 74 and name hn and segid b) (resid 74 and name hg and segid b) 6.5 4.7 0.0
assign (resid 74 and name hn and segid b) (resid 74 and name hd1# and segid b) 4.8 3.0 0.2
assign (resid 74 and name HA and segid b) (resid 74 and name HB# and segid b) 3.4 1.6 0.3
assign (resid 74 and name HA and segid b) (resid 74 and name HD1# and segid b) 4.8 3.0 0.2
assign (resid 74 and name HA and segid b) (resid 74 and name HD2# and segid b) 3.9 2.1 0.3
assign (resid 74 and name hb# and segid b) (resid 74 and name hd1# and segid b) 4.9 3.1 0.3 
assign (resid 74 and name hn and segid b) (resid 75 and name hn and segid b) 3.3 1.5 0.2
assign (resid 74 and name ha and segid b) (resid 75 and name hn and segid b) 3.3 1.5 0.2
assign (resid 74 and name hn and segid b) (resid 76 and name hn and segid b) 5.0 3.2 0.0
assign (resid 74 and name HD1# and segid b) (resid 76 and name HZ2 and segid b) 6.5 4.7 0.0 
assign (resid 74 and name hd1# and segid b) (resid 76 and name HZ3 and segid b) 6.5 4.7 0.0 
 
! Gly 75  

assign (resid 75 and name hn and segid b) (resid 75 and name ha1 and segid b) 3.3 1.5 0.2
assign (resid 75 and name hn and segid b) (resid 75 and name ha2 and segid b) 3.3 1.5 0.2
assign (resid 75 and name hn and segid b) (resid 76 and name hn and segid b) 3.3 1.5 0.2
assign (resid 75 and name ha1 and segid b) (resid 76 and name hn and segid b) 3.3 1.5 0.2
assign (resid 75 and name ha2 and segid b) (resid 76 and name hn and segid b) 3.3 1.5 0.2
   
! Trp 76  

assign (resid 76 and name hn and segid b) (resid 76 and name ha and segid b) 3.3 1.5 0.2
assign (resid 76 and name hn and segid b) (resid 76 and name hb1 and segid b) 5.0 3.2 0.0 
assign (resid 76 and name hn and segid b) (resid 76 and name hb2 and segid b) 5.0 3.2 0.0 
assign (resid 76 and name hn and segid b) (resid 76 and name hd1 and segid b) 3.3 1.5 0.2 
assign (resid 76 and name HA and segid b) (resid 76 and name HB1 and segid b) 3.3 1.5 0.2
assign (resid 76 and name HA and segid b) (resid 76 and name HB2 and segid b) 3.3 1.5 0.2 
assign (resid 76 and name HA and segid b) (resid 76 and name HD1 and segid b) 2.4 0.6 0.3
assign (resid 76 and name HA and segid b) (resid 76 and name HE1 and segid b) 5.0 3.2 0.0
assign (resid 76 and name HB1 and segid b) (resid 76 and name HD1 and segid b) 5.0 3.2 0.0
assign (resid 76 and name HB2 and segid b) (resid 76 and name HD1 and segid b) 5.0 3.2 0.0 
assign (resid 76 and name HB# and segid b) (resid 76 and name HE3 and segid b) 6.0 4.2 0.0 
assign (resid 76 and name hn and segid b) (resid 77 and name hn and segid b) 5.0 3.2 0.0
assign (resid 76 and name ha and segid b) (resid 77 and name hn and segid b) 5.0 3.2 0.0 
assign (resid 76 and name hb1 and segid b) (resid 77 and name hn and segid b) 5.0 3.2 0.0
assign (resid 76 and name hb2 and segid b) (resid 77 and name hn and segid b) 5.0 3.2 0.0
assign (resid 76 and name HE3 and segid b) (resid 77 and name HN and segid b) 5.0 3.2 0.0  
assign (resid 76 and name hb# and segid b) (resid 80 and name hb# and segid b) 5.8 4.0 0.2
 
! Gly 77  

assign (resid 77 and name hn and segid b) (resid 77 and name ha1 and segid b) 3.3 1.5 0.2 
assign (resid 77 and name hn and segid b) (resid 77 and name ha2 and segid b) 3.3 1.5 0.2 
assign (resid 77 and name hn and segid b) (resid 78 and name hn and segid b) 5.0 3.2 0.0
assign (resid 77 and name ha1 and segid b) (resid 78 and name hn and segid b) 3.3 1.5 0.2
assign (resid 77 and name ha2 and segid b) (resid 78 and name hn and segid b) 3.3 1.5 0.2

! Ala 78  

assign (resid 78 and name hn and segid b) (resid 78 and name hb# and segid b) 4.8 3.0 0.2 
assign (resid 78 and name HA and segid b) (resid 81 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 78 and name HA and segid b) (resid 81 and name HB2 and segid b) 3.3 1.5 0.2

! Ala 79  

assign (resid 79 and name ha and segid b) (resid 78 and name hn and segid b) 5.0 3.2 0.0
assign (resid 79 and name hb# and segid b) (resid 78 and name hn and segid b) 4.8 3.0 0.2
assign (resid 79 and name ha and segid b) (resid 82 and name hn and segid b) 5.0 3.2 0.0
assign (resid 79 and name HA and segid b) (resid 82 and name HG2# and segid b) 4.8 3.0 0.2
 
! Thr 80  

assign (resid 80 and name hn and segid b) (resid 80 and name ha and segid b) 3.3 1.5 0.2
assign (resid 80 and name hn and segid b) (resid 80 and name hb and segid b) 3.3 1.5 0.2
assign (resid 80 and name hn and segid b) (resid 80 and name hg2# and segid b) 6.5 4.7 0.0
assign (resid 80 and name HA and segid b) (resid 80 and name HG2# and segid b) 3.9 2.1 0.3
assign (resid 80 and name hn and segid b) (resid 81 and name hn and segid b) 3.3 1.5 0.2
assign (resid 80 and name ha and segid b) (resid 83 and name hn and segid b) 3.3 1.5 0.2
assign (resid 80 and name hb and segid b) (resid 81 and name hn and segid b) 3.3 1.5 0.2 
assign (resid 80 and name hg2# and segid b) (resid 81 and name hn and segid b) 6.5 4.7 0.0
assign (resid 80 and name HG2# and segid b) (resid 81 and name HA and segid b) 6.5 4.7 0.0
assign (resid 80 and name HG2# and segid b) (resid 81 and name HD1# and segid b) 7.5 5.7 0.0
assign (resid 80 and name HA and segid b) (resid 83 and name HB# and segid b) 3.9 2.1 0.3

! Leu 81  

assign (resid 81 and name hn and segid b) (resid 81 and name ha and segid b) 3.3 1.5 0.2
assign (resid 81 and name hn and segid b) (resid 81 and name hg and segid b) 3.3 1.5 0.2
assign (resid 81 and name hn and segid b) (resid 81 and name hb# and segid b) 3.9 2.1 0.2  
assign (resid 81 and name hn and segid b) (resid 81 and name hd1# and segid b) 6.5 4.7 0.0
assign (resid 81 and name hn and segid b) (resid 81 and name hd2# and segid b) 6.5 4.7 0.0
assign (resid 81 and name HA and segid b) (resid 81 and name HB# and segid b) 3.4 1.6 0.3
assign (resid 81 and name HA and segid b) (resid 81 and name HG and segid b) 2.4 0.6 0.3
assign (resid 81 and name HA and segid b) (resid 81 and name HD1# and segid b) 4.8 3.0 0.2 
assign (resid 81 and name HB# and segid b) (resid 81 and name HD2# and segid b) 4.9 3.1 0.3
assign (resid 81 and name hb# and segid b) (resid 82 and name hn and segid b) 4.3 2.5 0.2
assign (resid 81 and name hn and segid b) (resid 82 and name hn and segid b) 5.0 3.2 0.0
assign (resid 81 and name hd1# and segid b) (resid 82 and name hn and segid b) 6.5 4.7 0.0
assign (resid 81 and name hd2# and segid b) (resid 82 and name hn and segid b) 6.5 4.7 0.0
assign (resid 81 and name ha and segid b) (resid 84 and name hn and segid b) 5.0 3.2 0.0
 
! Thr 82  

assign (resid 82 and name hn and segid b) (resid 82 and name ha and segid b) 3.3 1.5 0.2
assign (resid 82 and name hn and segid b) (resid 82 and name hb and segid b) 2.4 0.6 0.3
assign (resid 82 and name hn and segid b) (resid 82 and name hg2# and segid b) 4.8 3.0 0.2
assign (resid 82 and name hn and segid b) (resid 83 and name hn and segid b) 2.4 0.6 0.3
assign (resid 82 and name ha and segid b) (resid 83 and name hb# and segid b) 6.5 4.7 0.0
assign (resid 82 and name hb and segid b) (resid 83 and name hn and segid b) 3.3 1.5 0.2
assign (resid 82 and name hg2# and segid b) (resid 83 and name hn and segid b) 6.5 4.7 0.0
assign (resid 82 and name hn and segid b) (resid 84 and name hn and segid b) 5.0 3.2 0.0
assign (resid 82 and name ha and segid b) (resid 85 and name hn and segid b) 3.3 1.5 0.2
assign (resid 82 and name HA and segid b) (resid 85 and name HB1 and segid b) 3.3 1.5 0.2
assign (resid 82 and name HA and segid b) (resid 85 and name HB2 and segid b) 3.3 1.5 0.2
   
! Ala 83  

assign (resid 83 and name hn and segid b) (resid 83 and name ha and segid b) 3.3 1.5 0.2
assign (resid 83 and name hn and segid b) (resid 83 and name hb# and segid b) 3.9 2.1 0.3
assign (resid 83 and name hn and segid b) (resid 84 and name hn and segid b) 2.4 0.6 0.3
assign (resid 83 and name ha and segid b) (resid 84 and name hn and segid b) 5.0 3.2 0.0
assign (resid 83 and name hb# and segid b) (resid 84 and name hn and segid b) 4.8 3.0 0.2
assign (resid 83 and name hb# and segid b) (resid 84 and name ha and segid b) 4.8 3.0 0.2
assign (resid 83 and name hn and segid b) (resid 84 and name hn and segid b) 5.0 3.2 0.0
assign (resid 83 and name ha and segid b) (resid 86 and name hb# and segid b) 4.3 2.5 0.2
assign (resid 83 and name ha and segid b) (resid 86 and name hn and segid b) 5.0 3.2 0.0  
 
! Lys 84  

assign (resid 84 and name hn and segid b) (resid 84 and name ha and segid b) 3.3 1.5 0.2
assign (resid 84 and name ha and segid b) (resid 87 and name hb# and segid b) 4.3 2.5 0.2
assign (resid 84 and name ha and segid b) (resid 87 and name hn and segid b) 3.3 1.5 0.2  

! Leu 85  

assign (resid 85 and name hn and segid b) (resid 85 and name ha and segid b) 3.3 1.5 0.2 
assign (resid 85 and name hn and segid b) (resid 85 and name hb# and segid b) 4.3 2.5 0.2
assign (resid 85 and name hn and segid b) (resid 85 and name hb2# and segid b) 4.8 3.0 0.2 
assign (resid 85 and name HA and segid b) (resid 85 and name HB# and segid b) 4.3 2.5 0.2 
assign (resid 85 and name hn and segid b) (resid 86 and name hn and segid b) 3.3 1.5 0.2
assign (resid 85 and name ha and segid b) (resid 86 and name hn and segid b) 5.0 3.2 0.0
assign (resid 85 and name hb# and segid b) (resid 85 and name hd2# and segid b) 5.8 4.0 0.2
assign (resid 85 and name hb# and segid b) (resid 85 and name hd1# and segid b) 4.9 3.1 0.3
assign (resid 85 and name hb# and segid b) (resid 86 and name hn and segid b) 4.3 2.5 0.2
 
! Lys 86  

assign (resid 86 and name hn and segid b) (resid 86 and name ha and segid b) 3.3 1.5 0.2
assign (resid 86 and name hn and segid b) (resid 87 and name hn and segid b) 3.3 1.5 0.2
assign (resid 86 and name ha and segid b) (resid 87 and name hn and segid b) 5.0 3.2 0.0
assign (resid 86 and name hn and segid b) (resid 88 and name hn and segid b) 5.0 3.2 0.0  
assign (resid 86 and name ha and segid b) (resid 89 and name hn and segid b) 3.3 1.5 0.2
 
! Glu 87  

assign (resid 87 and name hn and segid b) (resid 87 and name ha and segid b) 3.3 1.5 0.2
assign (resid 87 and name ha and segid b) (resid 88 and name hn and segid b) 5.0 3.2 0.0 
assign (resid 87 and name ha and segid b) (resid 90 and name hn and segid b) 3.3 1.5 0.2
 
! Leu 88  

assign (resid 88 and name hn and segid b) (resid 88 and name ha and segid b) 3.3 1.5 0.2
assign (resid 88 and name hn and segid b) (resid 88 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 88 and name hn and segid b) (resid 88 and name hb2 and segid b) 3.3 1.5 0.2
assign (resid 88 and name hn and segid b) (resid 88 and name hd1# and segid b) 4.8 3.0 0.2 
assign (resid 88 and name hn and segid b) (resid 88 and name hd2# and segid b) 4.8 3.0 0.2
assign (resid 88 and name hn and segid b) (resid 88 and name hg and segid b) 3.3 1.5 0.2
assign (resid 88 and name HA and segid b) (resid 88 and name HB1 and segid b) 3.3 1.5 0.2
assign (resid 88 and name HA and segid b) (resid 88 and name HB2 and segid b) 3.3 1.5 0.2 
assign (resid 88 and name HA and segid b) (resid 88 and name HG and segid b) 3.3 1.5 0.2
assign (resid 88 and name HA and segid b) (resid 88 and name HD1# and segid b) 4.8 3.0 0.2
assign (resid 88 and name HA and segid b) (resid 88 and name HD2# and segid b) 3.9 2.1 0.3
assign (resid 88 and name hn and segid b) (resid 89 and name hn and segid b) 3.3 1.5 0.2
assign (resid 88 and name ha and segid b) (resid 89 and name hn and segid b) 5.0 3.2 0.0
assign (resid 88 and name hb1 and segid b) (resid 89 and name hn and segid b) 5.0 3.2 0.0
assign (resid 88 and name hb2 and segid b) (resid 89 and name hn and segid b) 5.0 3.2 0.0
assign (resid 88 and name hg and segid b) (resid 89 and name hn and segid b) 5.0 3.2 0.0 

! Gly 89  

assign (resid 89 and name hn and segid b) (resid 89 and name ha1 and segid b) 3.3 1.5 0.2
assign (resid 89 and name hn and segid b) (resid 89 and name ha2 and segid b) 3.3 1.5 0.2
assign (resid 89 and name hn and segid b) (resid 90 and name hn and segid b) 3.3 1.5 0.2
assign (resid 89 and name ha1 and segid b) (resid 90 and name hn and segid b) 5.0 3.2 0.0
assign (resid 89 and name ha2 and segid b) (resid 90 and name hn and segid b) 5.0 3.2 0.0
 
! Met 90  

assign (resid 90 and name hn and segid b) (resid 90 and name ha and segid b) 3.3 1.5 0.2
assign (resid 90 and name hn and segid b) (resid 90 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 90 and name hn and segid b) (resid 90 and name hb2 and segid b) 3.3 1.5 0.2
assign (resid 90 and name hn and segid b) (resid 91 and name hn and segid b) 2.4 0.6 0.3 
assign (resid 90 and name ha and segid b) (resid 91 and name hn and segid b) 3.3 1.5 0.2
 
! Glu 91   

assign (resid 91 and name hn and segid b) (resid 91 and name ha and segid b) 3.3 1.5 0.2
assign (resid 91 and name hn and segid b) (resid 91 and name hb1 and segid b) 3.3 1.5 0.2
assign (resid 91 and name hn and segid b) (resid 91 and name hb2 and segid b) 3.3 1.5 0.2  



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