*HEADER    DE NOVO PROTEIN                         08-AUG-06   2HZ8              
*TITLE     QM/MM STRUCTURE REFINED FROM NMR-STRUCTURE OF A SINGLE                
*TITLE    2 CHAIN DIIRON PROTEIN                                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DE NOVO DESIGNED DIIRON PROTEIN;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    FOUR-HELIX BUNDLE                                                     
*EXPDTA    NMR                                                                   
*AUTHOR    J.R.CALHOUN, W.LIU, K.SPIEGEL, M.DAL PERARO, M.L.KLEIN,               
*AUTHOR   2 A.J.WAND, W.F.DEGRADO                                                
*REVDAT   1   17-JUL-07 2HZ8    0                                                


 # AA name # AA name J_hnha J_hnha_error
3JHNHA 3 GLU H 3 GLU HA 4.35 0.5
3JHNHA 4 LEU H 4 LEU HA 5.67 0.5
3JHNHA 5 ARG H 5 ARG HA 3.34 0.5
3JHNHA 6 GLU H 6 GLU HA 4.81 0.5
3JHNHA 7 LEU H 7 LEU HA 4.85 0.5
3JHNHA 8 LEU H 8 LEU HA 3.60 0.5
3JHNHA 9 LYS H 9 LYS HA 3.35 0.5
3JHNHA 10 ALA H 10 ALA HA 3.98 0.5
3JHNHA 11 GLU H 11 GLU HA 4.36 0.5
3JHNHA 12 GLN H 12 GLN HA 3.78 0.5
3JHNHA 13 GLN H 13 GLN HA 4.48 0.5
3JHNHA 14 ALA H 14 ALA HA 3.53 0.5
3JHNHA 15 ILE H 15 ILE HA 3.03 0.5
3JHNHA 16 LYS H 16 LYS HA 2.91 0.5
3JHNHA 17 ILE H 17 ILE HA 5.03 0.5
3JHNHA 18 TYR H 18 TYR HA 3.24 0.5
3JHNHA 19 LYS H 19 LYS HA 3.78 0.5
3JHNHA 20 GLU H 20 GLU HA 4.83 0.5
3JHNHA 21 VAL H 21 VAL HA 4.05 0.5
3JHNHA 22 LEU H 22 LEU HA 4.26 0.5
3JHNHA 23 LYS H 23 LYS HA 4.37 0.5
3JHNHA 24 LYS H 24 LYS HA 4.88 0.5
3JHNHA 25 ALA H 25 ALA HA 3.62 0.5
3JHNHA 26 LYS H 26 LYS HA 4.72 0.5
3JHNHA 27 GLU H 27 GLU HA 5.98 0.5
3JHNHA 28 GLY H 28 GLY HA 5.92 0.5
3JHNHA 29 ASP H 29 ASP HA 6.84 0.5
3JHNHA 30 GLU H 30 GLU HA 3.62 0.5
3JHNHA 31 GLN H 31 GLN HA 5.56 0.5
3JHNHA 32 GLU H 32 GLU HA 5.74 0.5
3JHNHA 33 LEU H 33 LEU HA 2.50 0.5
3JHNHA 34 ALA H 34 ALA HA 3.04 0.5
3JHNHA 35 ARG H 35 ARG HA 3.87 0.5
3JHNHA 36 LEU H 36 LEU HA 4.32 0.5
3JHNHA 37 ILE H 37 ILE HA 3.51 0.5
3JHNHA 38 GLN H 38 GLN HA 4.08 0.5
3JHNHA 39 GLU H 39 GLU HA 4.46 0.5
3JHNHA 40 ILE H 40 ILE HA 4.32 0.5
3JHNHA 41 VAL H 41 VAL HA 3.33 0.5
3JHNHA 43 ALA H 43 ALA HA 4.11 0.5
3JHNHA 44 GLU H 44 GLU HA 4.40 0.5
3JHNHA 45 LYS H 45 LYS HA 3.95 0.5
3JHNHA 46 GLN H 46 GLN HA 4.48 0.5
3JHNHA 47 ALA H 47 ALA HA 3.72 0.5
3JHNHA 48 VAL H 48 VAL HA 3.02 0.5
3JHNHA 49 LYS H 49 LYS HA 2.94 0.5
3JHNHA 50 VAL H 50 VAL HA 5.00 0.5
3JHNHA 52 LYS H 52 LYS HA 3.79 0.5
3JHNHA 53 GLU H 53 GLU HA 4.31 0.5
3JHNHA 54 ALA H 54 ALA HA 3.56 0.5
3JHNHA 55 ALA H 55 ALA HA 3.35 0.5
3JHNHA 56 GLU H 56 GLU HA 4.78 0.5
3JHNHA 57 LYS H 57 LYS HA 7.29 0.5
3JHNHA 58 ALA H 58 ALA HA 3.65 0.5
3JHNHA 59 ARG H 59 ARG HA 6.89 0.5
3JHNHA 60 ASN H 60 ASN HA 5.95 0.5
3JHNHA 62 GLU H 62 GLU HA 4.90 0.5
3JHNHA 63 LYS H 63 LYS HA 5.88 0.5
3JHNHA 64 ARG H 64 ARG HA 2.94 0.5
3JHNHA 65 GLN H 65 GLN HA 3.40 0.5
3JHNHA 66 VAL H 66 VAL HA 4.24 0.5
3JHNHA 67 ILE H 67 ILE HA 4.14 0.5
3JHNHA 68 ASP H 68 ASP HA 2.93 0.5
3JHNHA 69 LYS H 69 LYS HA 4.22 0.5
3JHNHA 70 ILE H 70 ILE HA 3.26 0.5
3JHNHA 71 LEU H 71 LEU HA 2.73 0.5
3JHNHA 72 GLU H 72 GLU HA 3.53 0.5
3JHNHA 73 ASP H 73 ASP HA 4.08 0.5
3JHNHA 74 GLU H 74 GLU HA 4.17 0.5
3JHNHA 75 GLU H 75 GLU HA 3.87 0.5
3JHNHA 76 LYS H 76 LYS HA 2.80 0.5
3JHNHA 77 HIS H 77 HIS HA 2.65 0.5
3JHNHA 78 ILE H 78 ILE HA 3.40 0.5
3JHNHA 79 GLU H 79 GLU HA 4.06 0.5
3JHNHA 80 TRP H 80 TRP HA 3.42 0.5
3JHNHA 81 LEU H 81 LEU HA 4.12 0.5
3JHNHA 82 LYS H 82 LYS HA 3.78 0.5
3JHNHA 83 ALA H 83 ALA HA 4.22 0.5
3JHNHA 84 ALA H 84 ALA HA 3.77 0.5
3JHNHA 85 SER H 85 SER HA 3.97 0.5
3JHNHA 86 LYS H 86 LYS HA 5.68 0.5
3JHNHA 88 GLY H 88 GLY HA 6.11 0.5
3JHNHA 89 ASN H 89 ASN HA 7.04 0.5
3JHNHA 90 ALA H 90 ALA HA 3.26 0.5
3JHNHA 91 GLU H 91 GLU HA 4.65 0.5
3JHNHA 93 PHE H 93 PHE HA 3.72 0.5
3JHNHA 94 ALA H 94 ALA HA 3.18 0.5
3JHNHA 95 SER H 95 SER HA 4.00 0.5
3JHNHA 96 LEU H 96 LEU HA 3.91 0.5
3JHNHA 97 VAL H 97 VAL HA 3.48 0.5
3JHNHA 98 GLN H 98 GLN HA 3.44 0.5
3JHNHA 99 GLN H 99 GLN HA 4.54 0.5
3JHNHA 100 ILE H 100 ILE HA 3.52 0.5
3JHNHA 101 LEU H 101 LEU HA 3.03 0.5
3JHNHA 102 GLN H 102 GLN HA 4.20 0.5
3JHNHA 103 ASP H 103 ASP HA 3.95 0.5
3JHNHA 104 GLU H 104 GLU HA 3.86 0.5
3JHNHA 105 GLN H 105 GLN HA 4.41 0.5
3JHNHA 106 ARG H 106 ARG HA 5.15 0.5
3JHNHA 107 HIS H 107 HIS HA 2.83 0.5
3JHNHA 108 VAL H 108 VAL HA 2.58 0.5
3JHNHA 110 GLU H 110 GLU HA 4.54 0.5
3JHNHA 111 ILE H 111 ILE HA 5.29 0.5
3JHNHA 112 GLU H 112 GLU HA 4.93 0.5
3JHNHA 113 LYS H 113 LYS HA 4.16 0.5
3JHNHA 114 LYS H 114 LYS HA 7.58 0.5
3JHNHA 115 ASN H 115 ASN HA 7.33 0.5
!1-20-03 dipolar_JHN.tbl for dfsc (weixia)       
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 3 and name N)  
 ( segid DFS and resid 3 and name HN) 4.63 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 4 and name N)  
 ( segid DFS and resid 4 and name HN) 7.82 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 5 and name N)  
 ( segid DFS and resid 5 and name HN) 9.88 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 6 and name N)  
 ( segid DFS and resid 6 and name HN) 10.18 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 8 and name N)  
 ( segid DFS and resid 8 and name HN) 11.02 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 10 and name N)  
 ( segid DFS and resid 10 and name HN) 10.41 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 11 and name N)  
 ( segid DFS and resid 11 and name HN) 15.27 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 12 and name N)  
 ( segid DFS and resid 12 and name HN) 9.57 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 14 and name N)  
 ( segid DFS and resid 14 and name HN) 12.69 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 15 and name N)  
 ( segid DFS and resid 15 and name HN) 11.85 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 16 and name N)  
 ( segid DFS and resid 16 and name HN) 7.22 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 17 and name N)  
 ( segid DFS and resid 17 and name HN) 7.67 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 18 and name N)  
 ( segid DFS and resid 18 and name HN) 12.84 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 19 and name N)  
 ( segid DFS and resid 19 and name HN) 9.5 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 21 and name N)  
 ( segid DFS and resid 21 and name HN) 11.4 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 24 and name N)  
 ( segid DFS and resid 24 and name HN) 8.13 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 25 and name N)  
 ( segid DFS and resid 25 and name HN) 11.4 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 27 and name N)  
 ( segid DFS and resid 27 and name HN) 7.07 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 28 and name N)  
 ( segid DFS and resid 28 and name HN) 5.17 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 30 and name N)  
 ( segid DFS and resid 30 and name HN) 7.6 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 31 and name N)  
 ( segid DFS and resid 31 and name HN) 3.65 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 32 and name N)  
 ( segid DFS and resid 32 and name HN) 7.98 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 34 and name N)  
 ( segid DFS and resid 34 and name HN) 12.38 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 37 and name N)  
 ( segid DFS and resid 37 and name HN) 13.67 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 41 and name N)  
 ( segid DFS and resid 41 and name HN) 11.32 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 43 and name N  
 ( segid DFS and resid 43 and name HN) 12.08 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 44 and name N)  
 ( segid DFS and resid 44 and name HN) 9.65 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 45 and name N)  
 ( segid DFS and resid 45 and name HN) 11.7 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 46 and name N)  
 ( segid DFS and resid 46 and name HN) 1.52 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 47 and name N)  
 ( segid DFS and resid 47 and name HN) 8.81 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 48 and name N)  
 ( segid DFS and resid 48 and name HN) 14.21 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 49 and name N)  
 ( segid DFS and resid 49 and name HN) 9.5 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 50 and name N)  
 ( segid DFS and resid 50 and name HN) 9.19 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 51 and name N)  
 ( segid DFS and resid 51 and name HN) 14.97 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 54 and name N)  
 ( segid DFS and resid 54 and name HN) 12.61 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 55 and name N)  
 ( segid DFS and resid 55 and name HN) 13.37 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 56 and name N)  
 ( segid DFS and resid 56 and name HN) 7.75 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 57 and name N)  
 ( segid DFS and resid 57 and name HN) 8.2 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 58 and name N)  
 ( segid DFS and resid 58 and name HN) 10.03 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 59 and name N)  
 ( segid DFS and resid 59 and name HN) 4.1 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 60 and name N)  
 ( segid DFS and resid 60 and name HN) 2.89 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 62 and name N)  
 ( segid DFS and resid 62 and name HN) 9.88 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 63 and name N)  
 ( segid DFS and resid 63 and name HN) 7.82 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 65 and name N)  
 ( segid DFS and resid 65 and name HN) 13.45 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 66 and name N)  
 ( segid DFS and resid 66 and name HN) 11.85 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 67 and name N)  
 ( segid DFS and resid 67 and name HN) 14.21 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 68 and name N)  
 ( segid DFS and resid 68 and name HN) 13.75 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 69 and name N)  
 ( segid DFS and resid 69 and name HN) 12.23 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 70 and name N)  
 ( segid DFS and resid 70 and name HN) 11.02 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 72 and name N)  
 ( segid DFS and resid 72 and name HN) 13.07 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 73 and name N)  
 ( segid DFS and resid 73 and name HN) 12.69 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 74 and name N)  
 ( segid DFS and resid 74 and name HN) 13.98 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 75 and name N)  
 ( segid DFS and resid 75 and name HN) 11.4 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 76 and name N)  
 ( segid DFS and resid 76 and name HN) 11.62 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 78 and name N)  
 ( segid DFS and resid 78 and name HN) 13.37 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 79 and name N)  
 ( segid DFS and resid 79 and name HN) 12 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 81 and name N)  
 ( segid DFS and resid 81 and name HN) 13.6 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 82 and name N)  
 ( segid DFS and resid 82 and name HN) 12.61 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 85 and name N)  
 ( segid DFS and resid 85 and name HN) 9.72 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 86 and name N)  
 ( segid DFS and resid 86 and name HN) 7.52 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 87 and name N)  
 ( segid DFS and resid 87 and name HN) 9.19 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 88 and name N)  
 ( segid DFS and resid 88 and name HN) 3.04 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 90 and name N)  
 ( segid DFS and resid 90 and name HN) 12 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 91 and name N)  
 ( segid DFS and resid 91 and name HN) 10.18 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 93 and name N)  
 ( segid DFS and resid 93 and name HN) 13.14 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 94 and name N)  
 ( segid DFS and resid 94 and name HN) 13.67 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 95 and name N)  
 ( segid DFS and resid 95 and name HN) 10.79 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 96 and name N)  
 ( segid DFS and resid 96 and name HN) 12.54 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 97 and name N)  
 ( segid DFS and resid 97 and name HN) 14.59 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 101 and name N)  
 ( segid DFS and resid 101 and name HN) 13.52 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 102 and name N)  
 ( segid DFS and resid 102 and name HN) 9.88 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 104 and name N)  
 ( segid DFS and resid 104 and name HN) 13.9 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 105 and name N)  
 ( segid DFS and resid 105 and name HN) 9.34 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 106 and name N)  
 ( segid DFS and resid 106 and name HN) 12.76 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 107 and name N)  
 ( segid DFS and resid 107 and name HN) 13.45 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 108 and name N)  
 ( segid DFS and resid 108 and name HN) 6.38 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 110 and name N)  
 ( segid DFS and resid 110 and name HN) 12.61 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 111 and name N)  
 ( segid DFS and resid 111 and name HN) 14.28 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 114 and name N)  
 ( segid DFS and resid 114 and name HN) 1.75 0.2
assign ( resid 500 and name OO )    
 ( resid 500 and name Z )    
 ( resid 500 and name X )    
 ( resid 500 and name Y )    
 ( segid DFS and resid 115 and name N)  
 ( segid DFS and resid 115 and name HN) 0.08 0.2
assign (residue 2 and name HN) (residue 2 and name HA) 2.4 0.6 0.6
assign (residue 2 and name HN) (residue 5 and name HD#) 4.5 1.5 1.5
assign (residue 3 and name HN) (residue 2 and name HA) 2.9 0.9 0.9
assign (residue 3 and name HN) (residue 2 and name HB#) 4.5 1.5 1.5
assign (residue 3 and name HN) (residue 3 and name HA) 3.6 1.2 1.2
assign (residue 3 and name HN) (residue 3 and name HB#) 2.9 0.9 0.9
assign (residue 3 and name HN) (residue 3 and name HG#) 3.6 1.2 1.2
assign (residue 3 and name HN) (residue 4 and name HN) 3.6 1.2 1.2
assign (residue 3 and name HN) (residue 5 and name HN) 4.5 1.5 1.5
assign (residue 4 and name HN) (residue 2 and name HA) 2.9 0.9 0.9
assign (residue 4 and name HN) (residue 2 and name HB#) 4.5 1.5 1.5
assign (residue 4 and name HN) (residue 3 and name HA) 2.9 0.9 0.9
assign (residue 4 and name HN) (residue 3 and name HB#) 2.9 0.9 0.9
assign (residue 4 and name HN) (residue 3 and name HG#) 3.6 1.2 1.2
assign (residue 4 and name HN) (residue 3 and name HN) 3.6 1.2 1.2
assign (residue 4 and name HN) (residue 4 and name HA) 2.9 0.9 0.9
assign (residue 4 and name HB#) (residue 4 and name HA) 3.6 1.2 1.2
assign (residue 4 and name HN) (residue 4 and name HB#) 2.9 0.9 0.9
assign (residue 4 and name HN) (residue 4 and name HD#) 3.6 1.2 1.2
assign (residue 4 and name HN) (residue 4 and name HG#) 2.4 0.6 0.6
assign (residue 4 and name HN) (residue 5 and name HA) 4.5 1.5 1.5
assign (residue 4 and name HN) (residue 5 and name HN) 2.9 0.9 0.9
assign (residue 4 and name HN) (residue 7 and name HD1#) 4.5 1.5 1.5
assign (residue 4 and name HN) (residue 7 and name HD2#) 4.5 1.5 1.5
assign (residue 4 and name HN) (residue 7 and name HN) 4.5 1.5 1.5
assign (residue 5 and name HN) (residue 2 and name HB#) 4.5 1.5 1.5
assign (residue 5 and name HN) (residue 4 and name HA) 3.6 1.2 1.2
assign (residue 5 and name HN) (residue 4 and name HD#) 4.5 1.5 1.5
assign (residue 5 and name HN) (residue 4 and name HN) 2.9 0.9 0.9
assign (residue 5 and name HN) (residue 5 and name HA) 2.9 0.9 0.9
assign (residue 5 and name HN) (residue 5 and name HB#) 2.4 0.6 0.6
assign (residue 5 and name HN) (residue 5 and name HD#) 4.5 1.5 1.5
assign (residue 5 and name HN) (residue 5 and name HG#) 2.9 0.9 0.9
assign (residue 5 and name HN) (residue 6 and name HG#) 4.5 1.5 1.5
assign (residue 5 and name HN) (residue 6 and name HN) 2.9 0.9 0.9
assign (residue 5 and name HN) (residue 7 and name HN) 3.6 1.2 1.2
assign (residue 6 and name HN) (residue 2 and name HA) 2.9 0.9 0.9
assign (residue 6 and name HN) (residue 4 and name HA) 4.5 1.5 1.5
assign (residue 6 and name HN) (residue 4 and name HG#) 3.6 1.2 1.2
assign (residue 6 and name HN) (residue 5 and name HN) 2.9 0.9 0.9
assign (residue 6 and name HN) (residue 6 and name HA) 2.9 0.9 0.9
assign (residue 6 and name HN) (residue 6 and name HB#) 2.4 0.6 0.6
assign (residue 6 and name HN) (residue 6 and name HG#) 2.9 0.9 0.9
assign (residue 6 and name HN) (residue 7 and name HA) 4.5 1.5 1.5
assign (residue 6 and name HN) (residue 7 and name HN) 2.9 0.9 0.9
assign (residue 6 and name HN) (residue 8 and name HD#) 4.5 1.5 1.5
assign (residue 6 and name HN) (residue 9 and name HN) 4.5 1.5 1.5
assign (residue 7 and name HD2#) (residue 3 and name HA) 3.6 1.2 1.2
assign (residue 7 and name HB#) (residue 4 and name HA) 3.6 1.2 1.2
assign (residue 7 and name HB#) (residue 4 and name HD1#) 3.6 1.2 1.2
assign (residue 7 and name HD1#) (residue 4 and name HD1#) 2.9 0.9 0.9
assign (residue 7 and name HN) (residue 6 and name HB#) 2.9 0.9 0.9
assign (residue 7 and name HN) (residue 6 and name HN) 2.9 0.9 0.9
assign (residue 7 and name HN) (residue 7 and name HA) 3.6 1.2 1.2
assign (residue 7 and name HD1#) (residue 7 and name HA) 4.5 1.5 1.5
assign (residue 7 and name HD2#) (residue 7 and name HA) 2.9 0.9 0.9
assign (residue 7 and name HN) (residue 7 and name HB#) 2.9 0.9 0.9
assign (residue 7 and name HA) (residue 7 and name HB#) 3.6 1.2 1.2
assign (residue 7 and name HD1#) (residue 7 and name HB#) 3.6 1.2 1.2
assign (residue 7 and name HA) (residue 7 and name HD1#) 4.5 1.5 1.5
assign (residue 7 and name HD2#) (residue 7 and name HD1#) 2.9 0.9 0.9
assign (residue 7 and name HA) (residue 7 and name HD2#) 2.9 0.9 0.9
assign (residue 7 and name HD1#) (residue 7 and name HD2#) 2.9 0.9 0.9
assign (residue 7 and name HN) (residue 8 and name HA) 4.5 1.5 1.5
assign (residue 7 and name HN) (residue 8 and name HN) 2.9 0.9 0.9
assign (residue 7 and name HN) (residue 10 and name HA) 4.5 1.5 1.5
assign (residue 7 and name HA) (residue 10 and name HB#) 2.9 0.9 0.9
assign (residue 7 and name HA) (residue 11 and name HG1) 4.5 1.5 1.5
assign (residue 7 and name HA) (residue 11 and name HG2) 4.5 1.5 1.5
assign (residue 7 and name HD2#) (residue 50 and name HB#) 3.6 1.2 1.2
assign (residue 7 and name HA) (residue 50 and name HG2#) 3.6 1.2 1.2
assign (residue 7 and name HD2#) (residue 50 and name HG2#) 3.6 1.2 1.2
assign (residue 7 and name HD1#) (residue 51 and name HB#) 4.5 1.5 1.5
assign (residue 7 and name HD2#) (residue 51 and name HB#) 4.5 1.5 1.5
assign (residue 7 and name HD1#) (residue 51 and name HD#) 4.5 1.5 1.5
assign (residue 7 and name HD2#) (residue 51 and name HD#) 4.5 1.5 1.5
assign (residue 7 and name HA) (residue 51 and name HE#) 4.5 1.5 1.5
assign (residue 7 and name HD1#) (residue 51 and name HE#) 4.5 1.5 1.5
assign (residue 7 and name HD2#) (residue 51 and name HE#) 4.5 1.5 1.5
assign (residue 7 and name HD2#) (residue 54 and name HB#) 2.4 0.6 0.6
assign (residue 7 and name HB#) (residue 111 and name HD1#) 3.6 1.2 1.2
assign (residue 8 and name HD2#) (residue 5 and name HA) 2.9 0.9 0.9
assign (residue 8 and name HN) (residue 6 and name HN) 4.5 1.5 1.5
assign (residue 8 and name HN) (residue 7 and name HA) 4.5 1.5 1.5
assign (residue 8 and name HN) (residue 7 and name HB#) 2.9 0.9 0.9
assign (residue 8 and name HN) (residue 7 and name HD1#) 4.5 1.5 1.5
assign (residue 8 and name HN) (residue 7 and name HD2#) 4.5 1.5 1.5
assign (residue 8 and name HN) (residue 7 and name HN) 2.4 0.6 0.6
assign (residue 8 and name HN) (residue 8 and name HA) 2.9 0.9 0.9
assign (residue 8 and name HN) (residue 8 and name HD#) 2.9 0.9 0.9
assign (residue 8 and name HA) (residue 8 and name HD2#) 2.9 0.9 0.9
assign (residue 8 and name HA) (residue 8 and name HG#) 2.9 0.9 0.9
assign (residue 8 and name HN) (residue 8 and name HG#) 2.4 0.6 0.6
assign (residue 8 and name HN) (residue 9 and name HN) 2.9 0.9 0.9
assign (residue 8 and name HN) (residue 10 and name HA) 4.5 1.5 1.5
assign (residue 8 and name HA) (residue 11 and name HB#) 4.5 1.5 1.5
assign (residue 8 and name HA) (residue 11 and name HG#) 3.6 1.2 1.2
assign (residue 8 and name HD1#) (residue 108 and name HA) 2.9 0.9 0.9
assign (residue 8 and name HD1#) (residue 112 and name HB#) 3.6 1.2 1.2
assign (residue 8 and name HD1#) (residue 112 and name HG#) 3.6 1.2 1.2
assign (residue 9 and name HN) (residue 6 and name HB#) 4.5 1.5 1.5
assign (residue 9 and name HN) (residue 8 and name HD#) 3.6 1.2 1.2
assign (residue 9 and name HN) (residue 8 and name HN) 2.9 0.9 0.9
assign (residue 9 and name HN) (residue 9 and name HA) 2.4 0.6 0.6
assign (residue 9 and name HN) (residue 9 and name HB#) 2.4 0.6 0.6
assign (residue 9 and name HN) (residue 9 and name HD#) 2.4 0.6 0.6
assign (residue 9 and name HN) (residue 9 and name HG#) 3.6 1.2 1.2
assign (residue 9 and name HN) (residue 10 and name HN) 2.4 0.6 0.6
assign (residue 10 and name HN) (residue 7 and name HA) 3.6 1.2 1.2
assign (residue 10 and name HN) (residue 7 and name HD2#) 4.5 1.5 1.5
assign (residue 10 and name HN) (residue 9 and name HA) 2.9 0.9 0.9
assign (residue 10 and name HN) (residue 9 and name HB#) 2.4 0.6 0.6
assign (residue 10 and name HN) (residue 10 and name HA) 2.4 0.6 0.6
assign (residue 10 and name HN) (residue 10 and name HB#) 2.4 0.6 0.6
assign (residue 10 and name HN) (residue 11 and name HA) 4.5 1.5 1.5
assign (residue 10 and name HN) (residue 11 and name HG2#) 4.5 1.5 1.5
assign (residue 10 and name HN) (residue 11 and name HN) 2.4 0.6 0.6
assign (residue 10 and name HN) (residue 12 and name HB#) 3.6 1.2 1.2
assign (residue 10 and name HN) (residue 12 and name HN) 4.5 1.5 1.5
assign (residue 10 and name HB#) (residue 51 and name HE#) 4.5 1.5 1.5
assign (residue 11 and name HN) (residue 7 and name HA) 4.5 1.5 1.5
assign (residue 11 and name HN) (residue 8 and name HA) 3.6 1.2 1.2
assign (residue 11 and name HA) (residue 8 and name HA) 4.5 1.5 1.5
assign (residue 11 and name HN) (residue 8 and name HN) 4.5 1.5 1.5
assign (residue 11 and name HN) (residue 10 and name HA) 4.5 1.5 1.5
assign (residue 11 and name HN) (residue 10 and name HB#) 2.9 0.9 0.9
assign (residue 11 and name HN) (residue 10 and name HN) 2.9 0.9 0.9
assign (residue 11 and name HN) (residue 11 and name HA) 2.9 0.9 0.9
assign (residue 11 and name HN) (residue 11 and name HB#) 2.9 0.9 0.9
assign (residue 11 and name HA) (residue 11 and name HB#) 3.6 1.2 1.2
assign (residue 11 and name HN) (residue 11 and name HG2#) 2.9 0.9 0.9
assign (residue 11 and name HA) (residue 11 and name HG2#) 4.5 1.5 1.5
assign (residue 11 and name HN) (residue 12 and name HN) 2.9 0.9 0.9
assign (residue 11 and name HA) (residue 14 and name HB#) 3.6 1.2 1.2
assign (residue 11 and name HG#) (residue 51 and name HE#) 4.5 1.5 1.5
assign (residue 11 and name HA) (residue 108 and name HG2#) 4.5 1.5 1.5
assign (residue 12 and name HN) (residue 10 and name HA) 4.5 1.5 1.5
assign (residue 12 and name HN) (residue 11 and name HA) 4.5 1.5 1.5
assign (residue 12 and name HN) (residue 11 and name HG2#) 4.5 1.5 1.5
assign (residue 12 and name HN) (residue 11 and name HN) 2.9 0.9 0.9
assign (residue 12 and name HN) (residue 12 and name HA) 2.9 0.9 0.9
assign (residue 12 and name HN) (residue 12 and name HB#) 2.4 0.6 0.6
assign (residue 12 and name HN) (residue 12 and name HG1) 2.9 0.9 0.9
assign (residue 12 and name HN) (residue 12 and name HG2#) 2.9 0.9 0.9
assign (residue 12 and name HN) (residue 13 and name HN) 2.9 0.9 0.9
assign (residue 12 and name HN) (residue 16 and name HN) 4.5 1.5 1.5
assign (residue 13 and name HN) (residue 11 and name HA) 4.5 1.5 1.5
assign (residue 13 and name HN) (residue 11 and name HN) 3.6 1.2 1.2
assign (residue 13 and name HN) (residue 12 and name HB#) 2.4 0.6 0.6
assign (residue 13 and name HN) (residue 12 and name HG1) 2.9 0.9 0.9
assign (residue 13 and name HN) (residue 12 and name HN) 2.4 0.6 0.6
assign (residue 13 and name HN) (residue 13 and name HA) 2.4 0.6 0.6
assign (residue 13 and name HN) (residue 14 and name HN) 2.4 0.6 0.6
assign (residue 13 and name HN) (residue 43 and name HB#) 3.6 1.2 1.2
assign (residue 14 and name HB#) (residue 11 and name HA) 3.6 1.2 1.2
assign (residue 14 and name HN) (residue 13 and name HN) 2.4 0.6 0.6
assign (residue 14 and name HB#) (residue 14 and name HA) 2.4 0.6 0.6
assign (residue 14 and name HN) (residue 15 and name HD1#) 3.6 1.2 1.2
assign (residue 14 and name HB#) (residue 15 and name HD1#) 3.6 1.2 1.2
assign (residue 14 and name HN) (residue 15 and name HN) 2.4 0.6 0.6
assign (residue 14 and name HB#) (residue 18 and name HD#) 4.5 1.5 1.5
assign (residue 14 and name HB#) (residue 18 and name HE#) 4.5 1.5 1.5
assign (residue 14 and name HB#) (residue 104 and name HG1) 4.5 1.5 1.5
assign (residue 15 and name HN) (residue 11 and name HA) 4.5 1.5 1.5
assign (residue 15 and name HN) (residue 12 and name HA) 3.6 1.2 1.2
assign (residue 15 and name HB#) (residue 12 and name HA) 3.6 1.2 1.2
assign (residue 15 and name HN) (residue 12 and name HG1) 4.5 1.5 1.5
assign (residue 15 and name HN) (residue 13 and name HN) 4.5 1.5 1.5
assign (residue 15 and name HN) (residue 14 and name HA) 3.6 1.2 1.2
assign (residue 15 and name HN) (residue 14 and name HB#) 2.9 0.9 0.9
assign (residue 15 and name HN) (residue 14 and name HN) 2.9 0.9 0.9
assign (residue 15 and name HN) (residue 15 and name HA) 2.9 0.9 0.9
assign (residue 15 and name HB#) (residue 15 and name HA) 4.5 1.5 1.5
assign (residue 15 and name HG2#) (residue 15 and name HA) 3.6 1.2 1.2
assign (residue 15 and name HN) (residue 15 and name HB#) 2.4 0.6 0.6
assign (residue 15 and name HG2#) (residue 15 and name HB#) 2.4 0.6 0.6
assign (residue 15 and name HN) (residue 15 and name HD1#) 2.4 0.6 0.6
assign (residue 15 and name HN) (residue 15 and name HG2#) 2.9 0.9 0.9
assign (residue 15 and name HB#) (residue 15 and name HG2#) 2.9 0.9 0.9
assign (residue 15 and name HN) (residue 16 and name HN) 2.9 0.9 0.9
assign (residue 15 and name HB#) (residue 18 and name HB#) 4.5 1.5 1.5
assign (residue 15 and name HG2#) (residue 18 and name HB#) 2.9 0.9 0.9
assign (residue 15 and name HN) (residue 18 and name HD#) 4.5 1.5 1.5
assign (residue 15 and name HG2#) (residue 104 and name HA) 4.5 1.5 1.5
assign (residue 15 and name HG2#) (residue 105 and name HA) 3.6 1.2 1.2
assign (residue 16 and name HN) (residue 15 and name HA) 4.5 1.5 1.5
assign (residue 16 and name HN) (residue 15 and name HD1#) 3.6 1.2 1.2
assign (residue 16 and name HN) (residue 15 and name HG2#) 3.6 1.2 1.2
assign (residue 16 and name HN) (residue 15 and name HN) 2.9 0.9 0.9
assign (residue 16 and name HN) (residue 16 and name HA) 2.9 0.9 0.9
assign (residue 16 and name HN) (residue 16 and name HB#) 2.4 0.6 0.6
assign (residue 16 and name HN) (residue 17 and name HN) 2.9 0.9 0.9
assign (residue 17 and name HN) (residue 13 and name HA) 4.5 1.5 1.5
assign (residue 17 and name HN) (residue 16 and name HB#) 2.4 0.6 0.6
assign (residue 17 and name HN) (residue 16 and name HG1) 4.5 1.5 1.5
assign (residue 17 and name HN) (residue 16 and name HN) 2.9 0.9 0.9
assign (residue 17 and name HN) (residue 17 and name HA) 2.9 0.9 0.9
assign (residue 17 and name HG11) (residue 17 and name HA) 3.6 1.2 1.2
assign (residue 17 and name HG2#) (residue 17 and name HA) 2.9 0.9 0.9
assign (residue 17 and name HA) (residue 17 and name HB#) 3.6 1.2 1.2
assign (residue 17 and name HG2#) (residue 17 and name HB#) 2.9 0.9 0.9
assign (residue 17 and name HN) (residue 17 and name HD1#) 2.9 0.9 0.9
assign (residue 17 and name HG11) (residue 17 and name HD1#) 2.9 0.9 0.9
assign (residue 17 and name HA) (residue 17 and name HG11) 3.6 1.2 1.2
assign (residue 17 and name HG2#) (residue 17 and name HG11) 2.9 0.9 0.9
assign (residue 17 and name HG11) (residue 17 and name HG12) 2.4 0.6 0.6
assign (residue 17 and name HA) (residue 17 and name HG2#) 2.9 0.9 0.9
assign (residue 17 and name HN) (residue 18 and name HB#) 4.5 1.5 1.5
assign (residue 17 and name HG2#) (residue 18 and name HD#) 4.5 1.5 1.5
assign (residue 17 and name HN) (residue 18 and name HN) 2.9 0.9 0.9
assign (residue 17 and name HN) (residue 19 and name HN) 4.5 1.5 1.5
assign (residue 17 and name HA) (residue 20 and name HB#) 2.9 0.9 0.9
assign (residue 17 and name HG2#) (residue 40 and name HA) 3.6 1.2 1.2
assign (residue 17 and name HA) (residue 40 and name HB#) 4.5 1.5 1.5
assign (residue 18 and name HN) (residue 15 and name HA) 3.6 1.2 1.2
assign (residue 18 and name HN) (residue 16 and name HA) 3.6 1.2 1.2
assign (residue 18 and name HN) (residue 17 and name HB#) 2.9 0.9 0.9
assign (residue 18 and name HN) (residue 17 and name HG11) 4.5 1.5 1.5
assign (residue 18 and name HA) (residue 17 and name HG11) 3.6 1.2 1.2
assign (residue 18 and name HN) (residue 17 and name HG2#) 2.9 0.9 0.9
assign (residue 18 and name HN) (residue 17 and name HN) 2.9 0.9 0.9
assign (residue 18 and name HN) (residue 18 and name HA) 2.9 0.9 0.9
assign (residue 18 and name HN) (residue 18 and name HB#) 2.9 0.9 0.9
assign (residue 18 and name HA) (residue 18 and name HB#) 4.5 1.5 1.5
assign (residue 18 and name HA) (residue 18 and name HD#) 3.6 1.2 1.2
assign (residue 18 and name HB#) (residue 18 and name HD#) 4.5 1.5 1.5
assign (residue 18 and name HA) (residue 18 and name HD#) 2.9 0.9 0.9
assign (residue 18 and name HB2) (residue 18 and name HD#) 3.6 1.2 1.2
assign (residue 18 and name HB1) (residue 18 and name HD#) 3.6 1.2 1.2
assign (residue 18 and name HE#) (residue 18 and name HD#) 2.9 0.9 0.9
assign (residue 18 and name HN) (residue 19 and name HN) 2.9 0.9 0.9
assign (residue 18 and name HA) (residue 97 and name HG2#) 4.5 1.5 1.5
assign (residue 18 and name HA) (residue 101 and name HA) 4.5 1.5 1.5
assign (residue 18 and name HA) (residue 101 and name HD#) 3.6 1.2 1.2
assign (residue 19 and name HN) (residue 15 and name HA) 4.5 1.5 1.5
assign (residue 19 and name HN) (residue 18 and name HA) 4.5 1.5 1.5
assign (residue 19 and name HN) (residue 18 and name HB#) 3.6 1.2 1.2
assign (residue 19 and name HA) (residue 18 and name HD#) 4.5 1.5 1.5
assign (residue 19 and name HN) (residue 18 and name HN) 2.9 0.9 0.9
assign (residue 19 and name HN) (residue 19 and name HA) 2.9 0.9 0.9
assign (residue 19 and name HN) (residue 19 and name HB#) 2.9 0.9 0.9
assign (residue 19 and name HN) (residue 19 and name HD#) 3.6 1.2 1.2
assign (residue 19 and name HN) (residue 19 and name HG1) 3.6 1.2 1.2
assign (residue 19 and name HN) (residue 20 and name HN) 2.9 0.9 0.9
assign (residue 19 and name HN) (residue 22 and name HD#) 2.9 0.9 0.9
assign (residue 19 and name HN) (residue 22 and name HN) 4.5 1.5 1.5
assign (residue 20 and name HN) (residue 17 and name HA) 2.9 0.9 0.9
assign (residue 20 and name HN) (residue 19 and name HB#) 2.9 0.9 0.9
assign (residue 20 and name HN) (residue 19 and name HG1) 4.5 1.5 1.5
assign (residue 20 and name HN) (residue 19 and name HN) 2.9 0.9 0.9
assign (residue 20 and name HN) (residue 20 and name HA) 2.9 0.9 0.9
assign (residue 20 and name HN) (residue 20 and name HG#) 2.9 0.9 0.9
assign (residue 20 and name HN) (residue 21 and name HA) 4.5 1.5 1.5
assign (residue 20 and name HN) (residue 21 and name HG2#) 3.6 1.2 1.2
assign (residue 20 and name HN) (residue 21 and name HN) 2.9 0.9 0.9
assign (residue 20 and name HN) (residue 22 and name HN) 4.5 1.5 1.5
assign (residue 21 and name HG2#) (residue 18 and name HA) 3.6 1.2 1.2
assign (residue 21 and name HG2#) (residue 18 and name HB#) 3.6 1.2 1.2
assign (residue 21 and name HG1#) (residue 18 and name HE#) 4.5 1.5 1.5
assign (residue 21 and name HN) (residue 19 and name HN) 4.5 1.5 1.5
assign (residue 21 and name HN) (residue 20 and name HA) 2.9 0.9 0.9
assign (residue 21 and name HN) (residue 20 and name HB#) 2.9 0.9 0.9
assign (residue 21 and name HN) (residue 20 and name HN) 2.9 0.9 0.9
assign (residue 21 and name HN) (residue 21 and name HA) 2.9 0.9 0.9
assign (residue 21 and name HB#) (residue 21 and name HA) 4.5 1.5 1.5
assign (residue 21 and name HG1#) (residue 21 and name HA) 2.4 0.6 0.6
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assign (residue 21 and name HG2#) (residue 21 and name HB#) 2.9 0.9 0.9
assign (residue 21 and name HN) (residue 21 and name HG2#) 2.4 0.6 0.6
assign (residue 21 and name HB#) (residue 21 and name HG2#) 2.9 0.9 0.9
assign (residue 21 and name HN) (residue 22 and name HA) 3.6 1.2 1.2
assign (residue 21 and name HN) (residue 22 and name HB#) 3.6 1.2 1.2
assign (residue 21 and name HN) (residue 22 and name HD#) 2.9 0.9 0.9
assign (residue 21 and name HB#) (residue 22 and name HD2#) 3.6 1.2 1.2
assign (residue 21 and name HN) (residue 22 and name HN) 2.9 0.9 0.9
assign (residue 21 and name HN) (residue 23 and name HB#) 4.5 1.5 1.5
assign (residue 21 and name HN) (residue 23 and name HG1) 4.5 1.5 1.5
assign (residue 21 and name HN) (residue 23 and name HG2#) 4.5 1.5 1.5
assign (residue 21 and name HN) (residue 23 and name HN) 4.5 1.5 1.5
assign (residue 21 and name HN) (residue 24 and name HN) 3.6 1.2 1.2
assign (residue 21 and name HG2#) (residue 36 and name HB#) 2.9 0.9 0.9
assign (residue 21 and name HG1#) (residue 93 and name HD#) 3.6 1.2 1.2
assign (residue 21 and name HG1#) (residue 93 and name HE#) 3.6 1.2 1.2
assign (residue 21 and name HB#) (residue 93 and name HZ) 4.5 1.5 1.5
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assign (residue 21 and name HG2#) (residue 97 and name HG1#) 2.4 0.6 0.6
assign (residue 21 and name HG1#) (residue 97 and name HG2#) 2.9 0.9 0.9
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assign (residue 22 and name HN) (residue 21 and name HA) 4.5 1.5 1.5
assign (residue 22 and name HN) (residue 21 and name HB#) 2.4 0.6 0.6
assign (residue 22 and name HN) (residue 21 and name HG2#) 2.9 0.9 0.9
assign (residue 22 and name HN) (residue 21 and name HN) 2.9 0.9 0.9
assign (residue 22 and name HN) (residue 22 and name HA) 2.9 0.9 0.9
assign (residue 22 and name HN) (residue 22 and name HD#) 2.9 0.9 0.9
assign (residue 22 and name HN) (residue 22 and name HB#) 2.4 0.6 0.6
assign (residue 22 and name HN) (residue 23 and name HN) 2.9 0.9 0.9
assign (residue 22 and name HN) (residue 24 and name HN) 3.6 1.2 1.2
assign (residue 22 and name HN) (residue 25 and name HN) 3.6 1.2 1.2
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assign (residue 23 and name HN) (residue 21 and name HA) 4.5 1.5 1.5
assign (residue 23 and name HN) (residue 21 and name HB#) 4.5 1.5 1.5
assign (residue 23 and name HN) (residue 21 and name HG2#) 4.5 1.5 1.5
assign (residue 23 and name HN) (residue 21 and name HN) 3.6 1.2 1.2
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assign (residue 23 and name HN) (residue 22 and name HD#) 2.9 0.9 0.9
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assign (residue 23 and name HN) (residue 23 and name HA) 2.4 0.6 0.6
assign (residue 23 and name HN) (residue 23 and name HB#) 2.4 0.6 0.6
assign (residue 23 and name HN) (residue 23 and name HG1) 3.6 1.2 1.2
assign (residue 23 and name HN) (residue 23 and name HG2#) 2.9 0.9 0.9
assign (residue 23 and name HN) (residue 24 and name HE#) 4.5 1.5 1.5
assign (residue 23 and name HN) (residue 24 and name HN) 2.4 0.6 0.6
assign (residue 23 and name HN) (residue 25 and name HN) 3.6 1.2 1.2
assign (residue 24 and name HN) (residue 20 and name HG#) 4.5 1.5 1.5
assign (residue 24 and name HN) (residue 21 and name HA) 3.6 1.2 1.2
assign (residue 24 and name HN) (residue 21 and name HG2#) 4.5 1.5 1.5
assign (residue 24 and name HN) (residue 21 and name HN) 3.6 0.6 0.6
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assign (residue 24 and name HN) (residue 23 and name HN) 2.4 0.6 0.6
assign (residue 24 and name HN) (residue 24 and name HA) 2.4 0.6 0.6
assign (residue 24 and name HN) (residue 24 and name HE#) 4.5 1.5 1.5
assign (residue 24 and name HN) (residue 25 and name HN) 2.9 0.6 0.6
assign (residue 24 and name HN) (residue 26 and name HD#) 2.9 0.9 0.9
assign (residue 25 and name HN) (residue 21 and name HA) 4.5 1.5 1.5
assign (residue 25 and name HN) (residue 21 and name HG1#) 3.6 1.2 1.2
assign (residue 25 and name HN) (residue 21 and name HN) 4.5 1.5 1.5
assign (residue 25 and name HN) (residue 22 and name HN) 4.5 1.5 1.5
assign (residue 25 and name HN) (residue 23 and name HN) 3.6 1.2 1.2
assign (residue 25 and name HN) (residue 24 and name HB#) 2.4 0.6 0.6
assign (residue 25 and name HN) (residue 25 and name HA) 2.4 0.6 0.6
assign (residue 25 and name HN) (residue 25 and name HB#) 2.4 0.6 0.6
assign (residue 25 and name HN) (residue 26 and name HE#) 4.5 1.5 1.5
assign (residue 25 and name HN) (residue 26 and name HN) 2.4 0.6 0.6
assign (residue 25 and name HN) (residue 93 and name HD#) 4.5 1.5 1.5
assign (residue 25 and name HB#) (residue 93 and name HD#) 2.9 0.9 0.9
assign (residue 25 and name HB#) (residue 93 and name HE#) 3.6 1.2 1.2
assign (residue 26 and name HN) (residue 25 and name HB#) 2.4 0.6 0.6
assign (residue 26 and name HN) (residue 25 and name HN) 2.4 0.6 0.6
assign (residue 26 and name HN) (residue 26 and name HA) 2.4 0.6 0.6
assign (residue 26 and name HN) (residue 26 and name HB#) 2.4 0.6 0.6
assign (residue 26 and name HN) (residue 26 and name HE#) 4.5 1.5 1.5
assign (residue 26 and name HN) (residue 27 and name HN) 2.9 0.9 0.9
assign (residue 27 and name HN) (residue 25 and name HN) 4.5 1.5 1.5
assign (residue 27 and name HN) (residue 27 and name HG1) 3.6 1.2 1.2
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assign (residue 28 and name HN) (residue 27 and name HB#) 2.9 0.9 0.9
assign (residue 28 and name HN) (residue 27 and name HG1) 4.5 1.5 1.5
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assign (residue 28 and name HN) (residue 27 and name HN) 2.9 0.9 0.9
assign (residue 28 and name HN) (residue 28 and name HA1) 2.4 0.6 0.6
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assign (residue 28 and name HN) (residue 29 and name HA) 3.6 1.2 1.2
assign (residue 28 and name HN) (residue 29 and name HB#) 3.6 1.2 1.2
assign (residue 28 and name HN) (residue 33 and name HD1#) 4.5 1.5 1.5!
assign (residue 29 and name HN) (residue 28 and name HA#) 2.4 0.6 0.6
assign (residue 29 and name HN) (residue 29 and name HA) 2.9 0.9 0.9
assign (residue 29 and name HN) (residue 29 and name HB#) 2.4 0.6 0.6
assign (residue 29 and name HN) (residue 30 and name HN) 4.5 1.5 1.5
assign (residue 29 and name HB#) (residue 32 and name HB#) 2.9 0.9 0.9
assign (residue 29 and name HN) (residue 33 and name HD#) 3.6 1.2 1.2
assign (residue 30 and name HN) (residue 29 and name HA) 2.4 0.6 0.6
assign (residue 30 and name HN) (residue 29 and name HB#) 3.6 1.2 1.2
assign (residue 30 and name HN) (residue 29 and name HN) 3.6 1.2 1.2
assign (residue 30 and name HN) (residue 30 and name HA) 2.4 0.6 0.6
assign (residue 30 and name HN) (residue 30 and name HB#) 2.4 0.6 0.6
assign (residue 30 and name HN) (residue 30 and name HG#) 2.9 0.9 0.9
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assign (residue 30 and name HN) (residue 33 and name HD#) 4.5 1.5 1.5
assign (residue 30 and name HN) (residue 33 and name HG#) 4.5 1.5 1.5
assign (residue 31 and name HN) (residue 29 and name HA) 2.9 0.9 0.9
assign (residue 31 and name HN) (residue 29 and name HB#) 4.5 1.5 1.5
assign (residue 31 and name HN) (residue 30 and name HA) 2.9 0.9 0.9
assign (residue 31 and name HN) (residue 30 and name HN) 2.9 0.9 0.9
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assign (residue 31 and name HN) (residue 31 and name HG#) 2.4 0.6 0.6
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assign (residue 31 and name HN) (residue 32 and name HN) 2.4 0.6 0.6
assign (residue 32 and name HN) (residue 29 and name HB#) 4.5 1.5 1.5
assign (residue 32 and name HN) (residue 30 and name HN) 4.5 1.5 1.5
assign (residue 32 and name HN) (residue 31 and name HA) 2.9 0.9 0.9
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assign (residue 32 and name HN) (residue 32 and name HA) 2.4 0.6 0.6
assign (residue 32 and name HN) (residue 32 and name HB#) 2.4 0.6 0.6
assign (residue 32 and name HN) (residue 32 and name HG#) 2.4 0.6 0.6
assign (residue 32 and name HN) (residue 33 and name HB#) 3.6 1.2 1.2
assign (residue 32 and name HN) (residue 33 and name HD#) 4.5 1.5 1.5
assign (residue 32 and name HN) (residue 35 and name HN) 4.5 1.5 1.5
assign (residue 32 and name HN) (residue 36 and name HD1#) 4.5 1.5 1.5
assign (residue 33 and name HB#) (residue 30 and name HA) 2.9 0.9 0.9
assign (residue 33 and name HN) (residue 32 and name HA) 2.9 0.9 0.9
assign (residue 33 and name HN) (residue 32 and name HB#) 2.4 0.6 0.6
assign (residue 33 and name HN) (residue 33 and name HG#) 2.4 0.6 0.6
assign (residue 33 and name HN) (residue 36 and name HD#) 4.5 1.5 1.5
assign (residue 33 and name HD#) (residue 93 and name HD#) 3.6 1.2 1.2
assign (residue 33 and name HD1#) (residue 93 and name HE#) 4.5 1.5 1.5
assign (residue 34 and name HN) (residue 31 and name HA) 3.6 1.2 1.2
assign (residue 34 and name HN) (residue 33 and name HD#) 4.5 1.5 1.5
assign (residue 34 and name HN) (residue 34 and name HA) 2.4 0.6 0.6
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assign (residue 34 and name HN) (residue 35 and name HN) 2.4 0.6 0.6
assign (residue 34 and name HN) (residue 37 and name HD1#) 4.5 1.5 1.5
assign (residue 34 and name HN) (residue 36 and name HD2#) 4.5 1.5 1.5
assign (residue 34 and name HN) (residue 37 and name HN) 4.5 1.5 1.5
assign (residue 35 and name HN) (residue 32 and name HA) 3.6 1.2 1.2
assign (residue 35 and name HN) (residue 32 and name HG#) 4.5 1.5 1.5
assign (residue 35 and name HN) (residue 34 and name HB#) 2.4 0.6 0.6
assign (residue 35 and name HN) (residue 34 and name HN) 2.4 0.6 0.6
assign (residue 35 and name HN) (residue 35 and name HA) 2.4 0.6 0.6
assign (residue 35 and name HN) (residue 35 and name HB#) 2.4 0.6 0.6
assign (residue 35 and name HN) (residue 35 and name HD1) 4.5 1.5 1.5
assign (residue 35 and name HN) (residue 35 and name HG2#) 2.9 0.9 0.9
assign (residue 35 and name HN) (residue 36 and name HD#) 3.6 1.2 1.2
assign (residue 35 and name HN) (residue 36 and name HN) 2.4 0.6 0.6
assign (residue 36 and name HB#) (residue 21 and name HG2#) 4.5 1.5 1.5
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assign (residue 36 and name HN) (residue 32 and name HG#) 4.5 1.5 1.5
assign (residue 36 and name HB#) (residue 32 and name HG#) 4.5 1.5 1.5
assign (residue 36 and name HN) (residue 33 and name HA) 3.6 1.2 1.2
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assign (residue 36 and name HN) (residue 34 and name HN) 4.5 1.5 1.5
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assign (residue 36 and name HN) (residue 36 and name HA) 2.9 0.9 0.9
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assign (residue 36 and name HN) (residue 36 and name HD#) 2.9 0.9 0.9
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assign (residue 36 and name HN) (residue 36 and name HG#) 2.9 0.9 0.9!o
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assign (residue 36 and name HN) (residue 37 and name HN) 2.9 0.9 0.9
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assign (residue 37 and name HB#) (residue 34 and name HA) 3.6 1.2 1.2
assign (residue 37 and name HD1#) (residue 34 and name HA) 3.6 1.2 1.2
assign (residue 37 and name HN) (residue 34 and name HN) 4.5 1.5 1.5
assign (residue 37 and name HN) (residue 36 and name HA) 3.6 1.2 1.2
assign (residue 37 and name HN) (residue 36 and name HN) 2.9 0.9 0.9
assign (residue 37 and name HN) (residue 37 and name HA) 2.9 0.9 0.9
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assign (residue 37 and name HN) (residue 37 and name HB#) 2.4 0.6 0.6
assign (residue 37 and name HD1#) (residue 37 and name HB#) 2.9 0.9 0.9
assign (residue 37 and name HG12) (residue 37 and name HB#) 3.6 1.2 1.2
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assign (residue 37 and name HN) (residue 37 and name HD1#) 3.6 1.2 1.2
assign (residue 37 and name HA) (residue 37 and name HD1#) 4.5 1.5 1.5
assign (residue 37 and name HB#) (residue 37 and name HD1#) 3.6 1.2 1.2
assign (residue 37 and name HG12) (residue 37 and name HD1#) 3.6 1.2 1.2
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assign (residue 37 and name HG2#) (residue 85 and name HB#) 2.9 0.9 0.9
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assign (residue 42 and name HN) (residue 41 and name HB#) 3.6 1.2 1.2!ovlp
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assign (residue 65 and name HN) (residue 64 and name HB#) 2.9 0.9 0.9
assign (residue 65 and name HN) (residue 64 and name HD#) 4.5 1.5 1.5
assign (residue 65 and name HN) (residue 64 and name HG1) 4.5 1.5 1.5
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assign (residue 65 and name HN) (residue 64 and name HN) 2.9 0.9 0.9
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assign (residue 65 and name HN) (residue 65 and name HG1) 3.6 1.2 1.2
assign (residue 65 and name HN) (residue 65 and name HG2#) 2.9 0.9 0.9
assign (residue 65 and name HN) (residue 66 and name HG1#) 4.5 1.5 1.5
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assign (residue 65 and name HN) (residue 66 and name HN) 2.4 0.6 0.6
assign (residue 65 and name HN) (residue 68 and name HB#) 4.5 1.5 1.5
assign (residue 65 and name HN) (residue 68 and name HN) 4.5 1.5 1.5
assign (residue 65 and name HN) (residue 69 and name HN) 4.5 1.5 1.5
assign (residue 66 and name HG2#) (residue 63 and name HA) 2.9 0.9 0.9
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assign (residue 66 and name HG2#) (residue 113 and name HA) 4.5 1.5 1.5
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assign (residue 66 and name HN) (residue 65 and name HG1) 4.5 1.5 1.5
assign (residue 66 and name HN) (residue 65 and name HG2#) 4.5 1.5 1.5
assign (residue 66 and name HN) (residue 65 and name HN) 2.4 0.6 0.6
assign (residue 66 and name HN) (residue 66 and name HA) 2.4 0.6 0.6
assign (residue 66 and name HN) (residue 66 and name HG1#) 2.9 0.9 0.9
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assign (residue 66 and name HN) (residue 67 and name HA) 4.5 1.5 1.5
assign (residue 66 and name HN) (residue 69 and name HB#) 2.9 0.9 0.9
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assign (residue 66 and name HN) (residue 67 and name HN) 2.4 0.6 0.6
assign (residue 66 and name HN) (residue 68 and name HB#) 4.5 1.5 1.5
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assign (residue 67 and name HG2#) (residue 51 and name HB#) 4.5 1.5 1.5
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assign (residue 67 and name HG2#) (residue 51 and name HD#) 3.6 1.2 1.2
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assign (residue 67 and name HG2#) (residue 51 and name HE#) 2.9 0.9 0.9
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assign (residue 67 and name HN) (residue 65 and name HA) 4.5 1.5 1.5
assign (residue 67 and name HN) (residue 65 and name HN) 3.6 1.2 1.2
assign (residue 67 and name HN) (residue 66 and name HB#) 2.9 0.9 0.9
assign (residue 67 and name HN) (residue 66 and name HG1#) 3.6 1.2 1.2
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assign (residue 67 and name HN) (residue 67 and name HA) 2.9 0.9 0.9
assign (residue 67 and name HG11) (residue 67 and name HA) 4.5 1.5 1.5
assign (residue 67 and name HG2#) (residue 67 and name HA) 3.6 1.2 1.2
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assign (residue 67 and name HN) (residue 67 and name HD1#) 3.6 1.2 1.2
assign (residue 67 and name HG11) (residue 67 and name HD1#) 3.6 1.2 1.2
assign (residue 67 and name HG2#) (residue 67 and name HD1#) 2.4 0.6 0.6
assign (residue 67 and name HN) (residue 67 and name HG12) 2.9 0.9 0.9
assign (residue 67 and name HN) (residue 68 and name HA) 4.5 1.5 1.5
assign (residue 67 and name HG2#) (residue 68 and name HA) 4.5 1.5 1.5
assign (residue 67 and name HN) (residue 68 and name HB#) 4.5 1.5 1.5
assign (residue 67 and name HN) (residue 68 and name HN) 2.9 0.9 0.9
assign (residue 67 and name HN) (residue 69 and name HN) 4.5 1.5 1.5
assign (residue 68 and name HN) (residue 55 and name HA) 4.5 1.5 1.5
assign (residue 68 and name HN) (residue 64 and name HA) 4.5 1.5 1.5
assign (residue 68 and name HN) (residue 64 and name HN) 4.5 1.5 1.5
assign (residue 68 and name HN) (residue 65 and name HA) 3.6 1.2 1.2
assign (residue 68 and name HN) (residue 65 and name HN) 4.5 1.5 1.5
assign (residue 68 and name HN) (residue 66 and name HN) 4.5 1.5 1.5
assign (residue 68 and name HN) (residue 67 and name HA) 4.5 1.5 1.5
assign (residue 68 and name HN) (residue 67 and name HB#) 2.9 0.9 0.9
assign (residue 68 and name HN) (residue 67 and name HD1#) 4.5 1.5 1.5
assign (residue 68 and name HN) (residue 67 and name HG2#) 3.6 1.2 1.2
assign (residue 68 and name HN) (residue 67 and name HN) 2.9 0.9 0.9
assign (residue 68 and name HN) (residue 68 and name HA) 2.9 0.9 0.9
assign (residue 68 and name HN) (residue 68 and name HB#) 2.9 0.9 0.9
assign (residue 68 and name HN) (residue 69 and name HA) 4.5 1.5 1.5
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assign (residue 69 and name HN) (residue 66 and name HG1#) 4.5 1.5 1.5
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assign (residue 69 and name HN) (residue 67 and name HD1#) 4.5 1.5 1.5
assign (residue 69 and name HN) (residue 68 and name HA) 3.6 1.2 1.2
assign (residue 69 and name HN) (residue 68 and name HB#) 2.9 0.9 0.9
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assign (residue 70 and name HB#) (residue 51 and name HE#) 4.5 1.5 1.5
assign (residue 70 and name HG2#) (residue 51 and name HE#) 4.5 1.5 1.5
assign (residue 70 and name HD1#) (residue 51 and name HE#) 2.4 0.6 0.6
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assign (residue 70 and name HN) (residue 67 and name HA) 4.5 1.5 1.5
assign (residue 70 and name HN) (residue 69 and name HA) 2.9 0.9 0.9
assign (residue 70 and name HN) (residue 69 and name HN) 2.9 0.9 0.9
assign (residue 70 and name HN) (residue 70 and name HA) 3.6 1.2 1.2
assign (residue 70 and name HB#) (residue 70 and name HA) 4.5 1.5 1.5
assign (residue 70 and name HN) (residue 70 and name HB#) 2.9 0.9 0.9
assign (residue 70 and name HA) (residue 70 and name HB#) 4.5 1.5 1.5
assign (residue 70 and name HG2#) (residue 70 and name HB#) 3.6 1.2 1.2
assign (residue 70 and name HN) (residue 70 and name HD1#) 3.6 1.2 1.2
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assign (residue 70 and name HG2#) (residue 70 and name HD1#) 3.6 1.2 1.2
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assign (residue 70 and name HG2#) (residue 70 and name HG12) 4.5 1.5 1.5
assign (residue 70 and name HN) (residue 70 and name HG2#) 3.6 1.2 1.2
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assign (residue 70 and name HB#) (residue 71 and name HA) 4.5 1.5 1.5
assign (residue 70 and name HG2#) (residue 71 and name HA) 4.5 1.5 1.5
assign (residue 70 and name HG2#) (residue 73 and name HB#) 4.5 1.5 1.5
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assign (residue 70 and name HG2#) (residue 107 and name HA) 4.5 1.5 1.5
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assign (residue 70 and name HG11) (residue 107 and name HD2) 3.6 1.2 1.2
assign (residue 70 and name HG2#) (residue 107 and name HD2) 3.6 1.5 1.5
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assign (residue 71 and name HA) (residue 51 and name HD#) 4.5 1.5 1.5
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assign (residue 71 and name HN) (residue 67 and name HD1#) 4.5 1.5 1.5
assign (residue 71 and name HN) (residue 68 and name HA) 3.6 1.2 1.2
assign (residue 71 and name HN) (residue 68 and name HN) 4.5 1.5 1.5
assign (residue 71 and name HN) (residue 70 and name HA) 3.6 1.2 1.2
assign (residue 71 and name HN) (residue 70 and name HB#) 2.9 0.9 0.9
assign (residue 71 and name HN) (residue 70 and name HG11) 4.5 1.5 1.5
assign (residue 71 and name HN) (residue 70 and name HG2#) 3.6 1.2 1.2
assign (residue 71 and name HN) (residue 71 and name HA) 2.9 0.9 0.9
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assign (residue 71 and name HN) (residue 71 and name HD1#) 3.6 1.2 1.2
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assign (residue 72 and name HN) (residue 71 and name HB#) 2.9 0.9 0.9
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assign (residue 73 and name HB#) (residue 70 and name HA) 4.5 1.5 1.5
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assign (residue 73 and name HN) (residue 74 and name HG2#) 4.5 1.5 1.5
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assign (residue 74 and name HN) (residue 73 and name HB#) 2.9 0.9 0.9
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assign (residue 77 and name HN) (residue 77 and name HA) 2.4 0.6 0.6
assign (residue 77 and name HN) (residue 77 and name HB#) 2.4 0.6 0.6
assign (residue 77 and name HA) (residue 77 and name HD#) 4.5 1.5 1.5
assign (residue 77 and name HN) (residue 77 and name HD2#) 4.5 1.5 1.5
assign (residue 77 and name HA) (residue 77 and name HD2) 2.9 0.9 0.9
assign (residue 77 and name HB2) (residue 77 and name HD2) 4.5 1.5 1.5
assign (residue 77 and name HN) (residue 78 and name HG2#) 3.6 1.2 1.2
assign (residue 77 and name HN) (residue 78 and name HN) 2.9 0.9 0.9
assign (residue 77 and name HB#) (residue 100 and name HD1#) 4.5 1.5 1.5
assign (residue 77 and name HA) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 77 and name HB#) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 77 and name HE2) (residue 103 and name OD2) 2 0.4 0.4
assign (residue 77 and name HA) (residue 107 and name HE1) 4.5 1.5 1.5
assign (residue 77 and name HE1) (residue 107 and name HE1) 2.9 1.2 1.2!
assign (residue 78 and name HN) (residue 74 and name HA) 4.5 1.5 1.5
assign (residue 78 and name HN) (residue 75 and name HA) 4.5 1.5 1.5
assign (residue 78 and name HG1) (residue 76 and name HA) 4.5 1.5 1.5
assign (residue 78 and name HN) (residue 77 and name HA) 4.5 1.5 1.5
assign (residue 78 and name HN) (residue 77 and name HB#) 3.6 1.2 1.2
assign (residue 78 and name HN) (residue 77 and name HN) 3.6 1.2 1.2
assign (residue 78 and name HN) (residue 78 and name HA) 2.9 0.9 0.9
assign (residue 78 and name HN) (residue 78 and name HB#) 2.4 0.6 0.6
assign (residue 78 and name HN) (residue 78 and name HG2#) 2.9 0.9 0.9
assign (residue 79 and name HN) (residue 76 and name HA) 2.9 0.9 0.9
assign (residue 79 and name HN) (residue 77 and name HB#) 4.5 1.5 1.5
assign (residue 79 and name HN) (residue 77 and name HN) 4.5 1.5 1.5
assign (residue 79 and name HN) (residue 78 and name HB#) 2.9 0.9 0.9
assign (residue 79 and name HN) (residue 78 and name HG2#) 2.9 0.9 0.9
assign (residue 79 and name HN) (residue 79 and name HA) 2.9 0.9 0.9
assign (residue 79 and name HN) (residue 79 and name HB#) 2.4 0.6 0.6
assign (residue 79 and name HN) (residue 79 and name HG#) 2.9 0.9 0.9
assign (residue 79 and name HN) (residue 80 and name HA) 4.5 1.5 1.5
assign (residue 79 and name HN) (residue 80 and name HN) 2.9 0.9 0.9
assign (residue 79 and name HN) (residue 81 and name HD#) 4.5 1.5 1.5
assign (residue 79 and name HN) (residue 81 and name HN) 4.5 1.5 1.5
assign (residue 80 and name HZ2) (residue 76 and name HD#) 4.5 1.5 1.5
assign (residue 80 and name HZ2) (residue 76 and name HE#) 4.5 1.5 1.5
assign (residue 80 and name HH2) (residue 76 and name HE#) 4.5 1.5 1.5
assign (residue 80 and name HZ2) (residue 76 and name HG#) 4.5 1.5 1.5
assign (residue 80 and name HN) (residue 77 and name HA) 2.9 0.9 0.9
assign (residue 80 and name HE3) (residue 77 and name HD2) 2.4 0.9 0.9
assign (residue 80 and name HZ3) (residue 77 and name HD2) 3.6 1.2 1.2
assign (residue 80 and name HN) (residue 77 and name HN) 4.5 1.5 1.5
assign (residue 80 and name HN) (residue 78 and name HB#) 4.5 1.5 1.5
assign (residue 80 and name HN) (residue 79 and name HB#) 2.4 0.6 0.6
assign (residue 80 and name HN) (residue 79 and name HG#) 4.5 1.5 1.5
assign (residue 80 and name HN) (residue 79 and name HN) 2.9 0.9 0.9
assign (residue 80 and name HN) (residue 80 and name HA) 2.9 0.9 0.9
assign (residue 80 and name HN) (residue 80 and name HB#) 2.9 0.9 0.9
assign (residue 80 and name HA) (residue 80 and name HB#) 3.6 1.2 1.2
assign (residue 80 and name HB#) (residue 80 and name HH2) 4.5 1.5 1.5
assign (residue 80 and name HN) (residue 81 and name HD#) 4.5 1.5 1.5
assign (residue 80 and name HN) (residue 81 and name HN) 2.9 0.9 0.9
assign (residue 80 and name HN) (residue 82 and name HN) 4.5 1.5 1.5
assign (residue 80 and name HA) (residue 83 and name HB#) 3.6 1.2 1.2
assign (residue 80 and name HN) (residue 84 and name HB#) 4.5 1.5 1.5
assign (residue 80 and name HB#) (residue 96 and name HD#) 4.5 1.5 1.5
assign (residue 80 and name HE3) (residue 96 and name HD1#) 3.6 1.2 1.2
assign (residue 80 and name HE3) (residue 96 and name HD2#) 3.6 1.2 1.2
assign (residue 80 and name HE3) (residue 100 and name HD1#) 3.6 1.2 1.2
assign (residue 81 and name HD1#) (residue 18 and name HD#) 3.6 1.2 1.2
assign (residue 81 and name HD#) (residue 18 and name HE#) 4.5 1.5 1.5
assign (residue 81 and name HD2#) (residue 18 and name HE#) 2.9 0.9 0.9
assign (residue 81 and name HD#) (residue 37 and name HD1#) 4.5 1.5 1.5
assign (residue 81 and name HB#) (residue 37 and name HD1#) 4.5 1.5 1.5
assign (residue 81 and name HD#) (residue 41 and name HA) 4.5 1.5 1.5
assign (residue 81 and name HD#) (residue 44 and name HG2#) 4.5 1.5 1.5
assign (residue 81 and name HD#) (residue 77 and name HB#) 3.6 1.2 1.2
assign (residue 81 and name HB#) (residue 78 and name HA) 4.5 1.5 1.5
assign (residue 81 and name HN) (residue 78 and name HB#) 4.5 1.5 1.5
assign (residue 81 and name HN) (residue 80 and name HA) 4.5 1.5 1.5
assign (residue 81 and name HN) (residue 80 and name HB#) 2.9 0.9 0.9
assign (residue 81 and name HN) (residue 80 and name HN) 2.9 0.9 0.9
assign (residue 81 and name HN) (residue 81 and name HA) 2.9 0.9 0.9
assign (residue 81 and name HB#) (residue 81 and name HA) 4.5 1.5 1.5
assign (residue 81 and name HD#) (residue 81 and name HA) 4.5 1.5 1.5
assign (residue 81 and name HN) (residue 81 and name HB#) 2.4 0.6 0.6
assign (residue 81 and name HD#) (residue 81 and name HB#) 2.9 0.9 0.9
assign (residue 81 and name HN) (residue 81 and name HD#) 2.9 0.9 0.9
assign (residue 81 and name HB#) (residue 81 and name HD#) 2.9 0.9 0.9
assign (residue 81 and name HN) (residue 82 and name HN) 2.9 0.9 0.9
assign (residue 81 and name HN) (residue 83 and name HN) 4.5 1.5 1.5
assign (residue 81 and name HN) (residue 84 and name HN) 4.5 1.5 1.5
assign (residue 81 and name HB#) (residue 100 and name HD1#) 4.5 1.5 1.5
assign (residue 81 and name HD#) (residue 100 and name HD1#) 2.9 0.9 0.9
assign (residue 81 and name HD#) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 82 and name HN) (residue 78 and name HA) 4.5 1.5 1.5
assign (residue 82 and name HN) (residue 78 and name HG2#) 3.6 1.2 1.2
assign (residue 82 and name HN) (residue 80 and name HA) 4.5 1.5 1.5
assign (residue 82 and name HN) (residue 80 and name HN) 4.5 1.5 1.5
assign (residue 82 and name HN) (residue 81 and name HA) 2.9 0.9 0.9
assign (residue 82 and name HN) (residue 81 and name HB#) 2.9 0.9 0.9
assign (residue 82 and name HN) (residue 81 and name HD#) 3.6 0.9 0.9
assign (residue 82 and name HN) (residue 81 and name HN) 2.9 0.9 0.9
assign (residue 82 and name HN) (residue 82 and name HA) 2.4 0.6 0.6
assign (residue 82 and name HN) (residue 82 and name HB#) 2.4 0.6 0.6
assign (residue 82 and name HN) (residue 82 and name HD#) 2.4 0.6 0.6
assign (residue 82 and name HN) (residue 82 and name HG1) 2.9 0.9 0.9
assign (residue 82 and name HN) (residue 83 and name HN) 2.4 0.6 0.6
assign (residue 82 and name HN) (residue 84 and name HN) 3.6 1.2 1.2
assign (residue 83 and name HN) (residue 80 and name HA) 3.6 1.2 1.2
assign (residue 83 and name HN) (residue 80 and name HB#) 4.5 1.5 1.5
assign (residue 83 and name HN) (residue 81 and name HB#) 4.5 1.5 1.5
assign (residue 83 and name HN) (residue 81 and name HN) 4.5 1.5 1.5
assign (residue 83 and name HN) (residue 82 and name HA) 3.6 1.2 1.2
assign (residue 83 and name HN) (residue 82 and name HB#) 2.4 0.6 0.6
assign (residue 83 and name HN) (residue 82 and name HN) 2.9 0.9 0.9
assign (residue 83 and name HN) (residue 83 and name HA) 2.4 0.6 0.6
assign (residue 83 and name HN) (residue 83 and name HB#) 2.4 0.6 0.6
assign (residue 83 and name HN) (residue 84 and name HN) 2.4 0.6 0.6
assign (residue 83 and name HN) (residue 86 and name HN) 4.5 1.5 1.5
assign (residue 84 and name HN) (residue 80 and name HA) 4.5 1.5 1.5
assign (residue 84 and name HN) (residue 80 and name HB#) 4.5 1.5 1.5
assign (residue 84 and name HN) (residue 80 and name HB#) 4.5 1.5 1.5
assign (residue 84 and name HN) (residue 81 and name HA) 2.9 0.9 0.9
assign (residue 84 and name HN) (residue 81 and name HD1#) 4.5 1.5 1.5
assign (residue 84 and name HB#) (residue 81 and name HD1#) 2.9 0.9 0.9
assign (residue 84 and name HN) (residue 81 and name HN) 4.5 1.5 1.5
assign (residue 84 and name HN) (residue 82 and name HB#) 4.5 1.5 1.5
assign (residue 84 and name HN) (residue 82 and name HE#) 4.5 1.5 1.5
assign (residue 84 and name HN) (residue 82 and name HN) 4.5 1.5 1.5
assign (residue 84 and name HN) (residue 83 and name HN) 2.4 0.6 0.6
assign (residue 84 and name HN) (residue 84 and name HA) 2.4 0.6 0.6
assign (residue 84 and name HN) (residue 84 and name HB#) 2.4 0.6 0.6
assign (residue 84 and name HN) (residue 86 and name HN) 4.5 1.5 1.5
assign (residue 84 and name HN) (residue 87 and name HB#) 4.5 1.5 1.5
assign (residue 84 and name HN) (residue 87 and name HG#) 4.5 1.5 1.5
assign (residue 84 and name HB#) (residue 93 and name HB#) 4.5 1.5 1.5
assign (residue 84 and name HB#) (residue 93 and name HD#) 3.6 1.2 1.2
assign (residue 84 and name HB#) (residue 96 and name HD#) 2.4 0.6 0.6
assign (residue 85 and name HB#) (residue 37 and name HD#) 3.6 1.2 1.2
assign (residue 85 and name HN) (residue 81 and name HD1#) 4.5 1.5 1.5
assign (residue 85 and name HN) (residue 83 and name HN) 4.5 1.5 1.5
assign (residue 85 and name HN) (residue 84 and name HA) 2.9 0.9 0.9
assign (residue 85 and name HN) (residue 84 and name HB#) 2.4 0.6 0.6
assign (residue 85 and name HN) (residue 85 and name HA) 2.4 0.6 0.6
assign (residue 85 and name HN) (residue 85 and name HB#) 2.4 0.6 0.6
assign (residue 85 and name HN) (residue 86 and name HN) 2.4 0.6 0.6
assign (residue 85 and name HN) (residue 87 and name HB#) 4.5 1.5 1.5
assign (residue 85 and name HN) (residue 87 and name HG#) 4.5 1.5 1.5
assign (residue 85 and name HB#) (residue 93 and name HE#) 4.5 1.5 1.5
assign (residue 86 and name HN) (residue 85 and name HA) 2.9 0.9 0.9
assign (residue 86 and name HN) (residue 85 and name HN) 2.4 0.6 0.6
assign (residue 86 and name HN) (residue 86 and name HA) 2.4 0.6 0.6
assign (residue 86 and name HN) (residue 86 and name HB#) 2.4 0.6 0.6
assign (residue 86 and name HN) (residue 86 and name HE#) 4.5 1.5 1.5
assign (residue 86 and name HN) (residue 86 and name HG#) 2.9 0.9 0.9
assign (residue 86 and name HN) (residue 87 and name HG#) 4.5 1.5 1.5
assign (residue 86 and name HN) (residue 87 and name HN) 2.4 0.6 0.6
assign (residue 87 and name HN) (residue 85 and name HA) 2.9 0.9 0.9
assign (residue 87 and name HN) (residue 86 and name HB#) 2.4 0.6 0.6
assign (residue 87 and name HN) (residue 86 and name HN) 2.4 0.6 0.6
assign (residue 87 and name HN) (residue 87 and name HA) 2.4 0.6 0.6
assign (residue 87 and name HN) (residue 87 and name HB#) 2.4 0.6 0.6
assign (residue 87 and name HN) (residue 88 and name HA#) 3.6 1.2 1.2
assign (residue 87 and name HN) (residue 88 and name HN) 2.9 0.9 0.9
assign (residue 88 and name HN) (residue 33 and name HD) 4.5 0.9 0.9
assign (residue 88 and name HN) (residue 85 and name HA) 3.6 1.2 1.2
assign (residue 88 and name HN) (residue 87 and name HA) 2.4 0.6 0.6
assign (residue 88 and name HN) (residue 87 and name HB#) 3.6 0.9 0.9
assign (residue 88 and name HN) (residue 87 and name HG#) 4.5 1.5 1.5
assign (residue 88 and name HN) (residue 88 and name HA#) 2.4 0.6 0.6
assign (residue 89 and name HN) (residue 86 and name HN) 3.6 1.2 1.2
assign (residue 89 and name HN) (residue 87 and name HA) 3.6 1.2 1.2
assign (residue 89 and name HN) (residue 87 and name HG#) 3.6 1.2 1.2
assign (residue 89 and name HN) (residue 87 and name HN) 3.6 1.2 1.2
assign (residue 89 and name HN) (residue 88 and name HA#) 2.4 0.6 0.6
assign (residue 89 and name HN) (residue 89 and name HA) 2.4 0.6 0.6
assign (residue 89 and name HB#) (residue 89 and name HA) 3.6 1.2 1.2
assign (residue 89 and name HN) (residue 89 and name HB#) 2.4 0.6 0.6
assign (residue 89 and name HN) (residue 90 and name HN) 3.6 1.2 1.2
assign (residue 90 and name HN) (residue 89 and name HA) 2.4 0.6 0.6
assign (residue 90 and name HN) (residue 89 and name HB#) 4.5 1.5 1.5
assign (residue 90 and name HN) (residue 90 and name HA) 2.9 0.9 0.9
assign (residue 90 and name HN) (residue 90 and name HB#) 2.4 0.6 0.6
assign (residue 90 and name HN) (residue 91 and name HN) 2.9 0.9 0.9
assign (residue 90 and name HN) (residue 92 and name HN) 4.5 1.5 1.5
assign (residue 91 and name HN) (residue 89 and name HA) 4.5 1.5 1.5
assign (residue 91 and name HN) (residue 89 and name HB#) 4.5 1.5 1.5
assign (residue 91 and name HN) (residue 90 and name HB#) 2.4 0.6 0.6
assign (residue 91 and name HN) (residue 90 and name HN) 2.9 0.9 0.9
assign (residue 91 and name HN) (residue 91 and name HA) 2.4 0.6 0.6
assign (residue 91 and name HN) (residue 91 and name HB#) 2.4 0.6 0.6
assign (residue 91 and name HN) (residue 91 and name HG#) 2.4 0.6 0.6
assign (residue 91 and name HN) (residue 92 and name HN) 2.4 0.6 0.6
assign (residue 91 and name HN) (residue 93 and name HB#) 4.5 1.5 1.5
assign (residue 92 and name HN) (residue 89 and name HA) 4.5 1.5 1.5
assign (residue 92 and name HN) (residue 89 and name HB#) 3.6 1.2 1.2
assign (residue 92 and name HN) (residue 90 and name HA) 4.5 1.5 1.5!ovlp
assign (residue 92 and name HN) (residue 91 and name HB#) 2.4 0.6 0.6
assign (residue 92 and name HN) (residue 91 and name HN) 2.4 0.6 0.6
assign (residue 92 and name HN) (residue 92 and name HB#) 2.4 0.6 0.6
assign (residue 92 and name HN) (residue 93 and name HB#) 4.5 1.5 1.5
assign (residue 92 and name HN) (residue 95 and name HN) 3.6 1.2 1.2
assign (residue 93 and name HB#) (residue 33 and name HB#) 4.5 1.5 1.5
assign (residue 93 and name HB#) (residue 33 and name HD1#) 4.5 1.5 1.5
assign (residue 93 and name HN) (residue 90 and name HA) 2.4 0.6 0.6
assign (residue 93 and name HN) (residue 90 and name HN) 4.5 1.5 1.5
assign (residue 93 and name HN) (residue 92 and name HB#) 2.9 0.9 0.9
assign (residue 93 and name HN) (residue 92 and name HG#) 3.6 1.2 1.2
assign (residue 93 and name HN) (residue 92 and name HN) 2.4 0.6 0.6
assign (residue 93 and name HN) (residue 93 and name HA) 2.4 0.6 0.6
assign (residue 93 and name HB#) (residue 93 and name HA) 2.9 0.9 0.9
assign (residue 93 and name HN) (residue 93 and name HB#) 2.4 0.6 0.6
assign (residue 93 and name HA) (residue 93 and name HB#) 2.9 0.9 0.9
assign (residue 93 and name HA) (residue 93 and name HD#) 4.5 1.5 1.5
assign (residue 93 and name HB#) (residue 93 and name HD#) 4.5 1.5 1.5
assign (residue 93 and name HA) (residue 93 and name HD#) 3.6 1.2 1.2
assign (residue 93 and name HB2) (residue 93 and name HD#) 3.6 1.2 1.2
assign (residue 93 and name HB1) (residue 93 and name HD#) 3.6 1.2 1.2
assign (residue 93 and name HN) (residue 94 and name HB#) 3.6 1.2 1.2
assign (residue 93 and name HA) (residue 96 and name HB#) 3.6 1.2 1.2
assign (residue 93 and name HN) (residue 96 and name HD1#) 4.5 1.5 1.5
assign (residue 93 and name HA) (residue 96 and name HD2#) 4.5 1.5 1.5
assign (residue 93 and name HA) (residue 97 and name HG2#) 4.5 1.5 1.5
assign (residue 93 and name HB#) (residue 97 and name HG2#) 4.5 1.5 1.5
assign (residue 94 and name HN) (residue 91 and name HA) 2.9 0.9 0.9
assign (residue 94 and name HN) (residue 93 and name HA) 3.6 1.2 1.2
assign (residue 94 and name HN) (residue 93 and name HB#) 2.9 0.9 0.9
assign (residue 94 and name HN) (residue 94 and name HA) 2.4 0.6 0.6
assign (residue 94 and name HN) (residue 94 and name HB#) 2.4 0.6 0.6
assign (residue 94 and name HN) (residue 95 and name HB#) 4.5 1.5 1.5
assign (residue 94 and name HN) (residue 95 and name HN) 2.4 0.6 0.6
assign (residue 94 and name HN) (residue 96 and name HD1#) 4.5 1.5 1.5
assign (residue 94 and name HN) (residue 97 and name HG1#) 4.5 1.5 1.5
assign (residue 94 and name HN) (residue 97 and name HG2#) 4.5 1.5 1.5
assign (residue 94 and name HN) (residue 98 and name HG1) 4.5 1.5 1.5
assign (residue 95 and name HN) (residue 92 and name HA) 2.4 0.6 0.6
assign (residue 95 and name HN) (residue 93 and name HB#) 4.5 1.5 1.5
assign (residue 95 and name HN) (residue 94 and name HA) 3.6 1.2 1.2
assign (residue 95 and name HN) (residue 94 and name HB#) 2.4 0.6 0.6
assign (residue 95 and name HN) (residue 94 and name HN) 2.4 0.6 0.6
assign (residue 95 and name HN) (residue 95 and name HB#) 2.4 0.6 0.6
assign (residue 95 and name HN) (residue 96 and name HB#) 4.5 1.5 1.5
assign (residue 95 and name HN) (residue 96 and name HN) 2.9 0.9 0.9
assign (residue 95 and name HN) (residue 97 and name HG1#) 4.5 1.5 1.5
assign (residue 95 and name HN) (residue 98 and name HB#) 4.5 1.5 1.5
assign (residue 95 and name HN) (residue 99 and name HG#) 4.5 1.5 1.5
assign (residue 95 and name HN) (residue 99 and name HN) 4.5 1.5 1.5
assign (residue 96 and name HD1#) (residue 80 and name HA) 4.5 1.5 1.5
assign (residue 96 and name HD1#) (residue 80 and name HB#) 3.6 1.2 1.2
assign (residue 96 and name HD1#) (residue 80 and name HE3) 4.5 1.5 1.5
assign (residue 96 and name HD1#) (residue 93 and name HD#) 4.5 1.5 1.5
assign (residue 96 and name HD1#) (residue 81 and name HD2#) 4.5 1.5 1.5
assign (residue 96 and name HD1#) (residue 81 and name HG#) 3.6 1.2 1.2
assign (residue 96 and name HN) (residue 93 and name HA) 3.6 1.2 1.2
assign (residue 96 and name HN) (residue 93 and name HB#) 4.5 1.5 1.5
assign (residue 96 and name HN) (residue 94 and name HA) 4.5 1.5 1.5
assign (residue 96 and name HN) (residue 95 and name HB#) 2.9 0.9 0.9
assign (residue 96 and name HN) (residue 96 and name HA) 2.9 0.9 0.9
assign (residue 96 and name HN) (residue 96 and name HB#) 2.4 0.6 0.6
assign (residue 96 and name HD1#) (residue 96 and name HB#) 3.6 1.2 1.2
assign (residue 96 and name HN) (residue 96 and name HD1#) 3.6 1.2 1.2
assign (residue 96 and name HN) (residue 96 and name HD2#) 3.6 1.2 1.2
assign (residue 96 and name HN) (residue 97 and name HA) 4.5 1.5 1.5
assign (residue 96 and name HN) (residue 97 and name HG2#) 4.5 1.5 1.5
assign (residue 96 and name HN) (residue 97 and name HN) 2.9 0.9 0.9
assign (residue 96 and name HN) (residue 98 and name HB#) 4.5 1.5 1.5
assign (residue 96 and name HN) (residue 99 and name HG#) 4.5 1.5 1.5
assign (residue 96 and name HN) (residue 99 and name HN) 4.5 1.5 1.5
assign (residue 96 and name HD1#) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 97 and name HG1#) (residue 18 and name HD#) 3.6 1.2 1.2
assign (residue 97 and name HG2#) (residue 18 and name HE#) 3.6 1.2 1.2
assign (residue 97 and name HG2#) (residue 93 and name HZ) 3.6 1.2 1.2
assign (residue 97 and name HN) (residue 94 and name HA) 3.6 1.2 1.2
assign (residue 97 and name HN) (residue 96 and name HB#) 2.9 0.9 0.9
assign (residue 97 and name HN) (residue 96 and name HD1#) 4.5 1.5 1.5
assign (residue 97 and name HN) (residue 96 and name HN) 2.4 0.6 0.6
assign (residue 97 and name HN) (residue 97 and name HA) 2.9 0.9 0.9
assign (residue 97 and name HN) (residue 97 and name HB#) 2.4 0.6 0.6
assign (residue 97 and name HN) (residue 97 and name HG1#) 2.9 0.9 0.9
assign (residue 97 and name HN) (residue 97 and name HG2#) 2.4 0.6 0.6
assign (residue 98 and name HN) (residue 94 and name HA) 4.5 1.5 1.5
assign (residue 98 and name HN) (residue 94 and name HB#) 4.5 1.5 1.5
assign (residue 98 and name HN) (residue 95 and name HA) 3.6 1.2 1.2
assign (residue 98 and name HN) (residue 97 and name HA) 3.6 1.2 1.2
assign (residue 98 and name HN) (residue 97 and name HB#) 2.9 0.9 0.9
assign (residue 98 and name HN) (residue 97 and name HG1#) 2.9 0.9 0.9
assign (residue 98 and name HN) (residue 97 and name HG2#) 3.6 1.2 1.2
assign (residue 98 and name HN) (residue 97 and name HN) 2.9 0.9 0.9
assign (residue 98 and name HN) (residue 98 and name HA) 2.4 0.6 0.6
assign (residue 98 and name HN) (residue 98 and name HB#) 2.4 0.6 0.6
assign (residue 98 and name HN) (residue 98 and name HG1) 2.9 0.9 0.9
assign (residue 98 and name HN) (residue 98 and name HG2#) 2.9 0.9 0.9
assign (residue 98 and name HN) (residue 99 and name HN) 2.4 0.6 0.6
assign (residue 98 and name HN) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 98 and name HN) (residue 100 and name HN) 4.5 1.5 1.5
assign (residue 98 and name HN) (residue 101 and name HN) 4.5 1.5 1.5
assign (residue 99 and name HN) (residue 96 and name HD1#) 4.5 1.5 1.5
assign (residue 99 and name HN) (residue 97 and name HG2#) 4.5 1.5 1.5
assign (residue 99 and name HN) (residue 97 and name HN) 4.5 1.5 1.5
assign (residue 99 and name HN) (residue 98 and name HB#) 2.4 0.6 0.6
assign (residue 99 and name HN) (residue 98 and name HN) 2.4 0.6 0.6
assign (residue 99 and name HN) (residue 99 and name HA) 2.4 0.6 0.6
assign (residue 99 and name HN) (residue 99 and name HG#) 2.9 0.9 0.9
assign (residue 99 and name HN) (residue 100 and name HA) 4.5 1.5 1.5
assign (residue 99 and name HN) (residue 100 and name HG1#) 4.5 1.5 1.5
assign (residue 99 and name HN) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 99 and name HN) (residue 100 and name HN) 2.4 0.6 0.6
assign (residue 99 and name HN) (residue 101 and name HN) 4.5 1.5 1.5
assign (residue 100 and name HG2#) (residue 18 and name HE#) 4.5 1.5 1.5
assign (residue 100 and name HG2#) (residue 77 and name HD2) 4.5 1.5 1.5
assign (residue 100 and name HG2#) (residue 77 and name HE1) 3.6 1.2 1.2
assign (residue 100 and name HA) (residue 96 and name HB#) 4.5 1.5 1.5
assign (residue 100 and name HB#) (residue 96 and name HB#) 4.5 1.5 1.5
assign (residue 100 and name HA) (residue 97 and name HG2#) 4.5 1.5 1.5
assign (residue 100 and name HB#) (residue 97 and name HG2#) 4.5 1.5 1.5
assign (residue 100 and name HN) (residue 98 and name HA) 4.5 1.5 1.5
assign (residue 100 and name HN) (residue 99 and name HA) 3.6 1.2 1.2
assign (residue 100 and name HN) (residue 99 and name HB#) 2.4 0.6 0.6
assign (residue 100 and name HN) (residue 99 and name HG#) 4.5 1.5 1.5
assign (residue 100 and name HN) (residue 99 and name HN) 2.9 0.9 0.9
assign (residue 100 and name HN) (residue 100 and name HA) 2.9 0.9 0.9
assign (residue 100 and name HG2#) (residue 100 and name HA) 3.6 1.2 1.2
assign (residue 100 and name HA) (residue 100 and name HB#) 4.5 1.5 1.5
assign (residue 100 and name HG2#) (residue 100 and name HD1#) 2.9 0.9 0.9
assign (residue 100 and name HN) (residue 100 and name HG1#) 2.9 0.9 0.9
assign (residue 100 and name HN) (residue 100 and name HG2#) 3.6 1.2 1.2
assign (residue 100 and name HA) (residue 100 and name HG2#) 3.6 1.2 1.2
assign (residue 100 and name HG2#) (residue 101 and name HA) 4.5 1.5 1.5
assign (residue 100 and name HG2#) (residue 101 and name HB#) 4.5 1.5 1.5
assign (residue 100 and name HN) (residue 101 and name HN) 2.9 0.9 0.9
assign (residue 100 and name HA) (residue 103 and name HB#) 4.5 1.5 1.5
assign (residue 100 and name HN) (residue 103 and name HN) 3.6 1.2 1.2
assign (residue 100 and name HG2#) (residue 104 and name HG1) 4.5 1.5 1.5
assign (residue 100 and name HG2#) (residue 104 and name HG2#) 4.5 1.5 1.5
assign (residue 101 and name HD1#) (residue 18 and name HD#) 4.5 1.5 1.5
assign (residue 101 and name HD#) (residue 18 and name HD#) 4.5 1.5 1.5
assign (residue 101 and name HA) (residue 18 and name HD#) 3.6 1.2 1.2
assign (residue 101 and name HD2#) (residue 18 and name HE#) 2.9 0.9 0.9
assign (residue 101 and name HN) (residue 97 and name HG2#) 4.5 1.5 1.5
assign (residue 101 and name HN) (residue 98 and name HA) 3.6 1.2 1.2
assign (residue 101 and name HN) (residue 100 and name HA) 3.6 1.2 1.2
assign (residue 101 and name HN) (residue 100 and name HB#) 3.6 1.2 1.2!ovlp
assign (residue 101 and name HN) (residue 100 and name HG2#) 3.6 1.2 1.2
assign (residue 101 and name HN) (residue 100 and name HN) 2.9 0.9 0.9
assign (residue 101 and name HN) (residue 101 and name HA) 2.9 0.9 0.9
assign (residue 101 and name HN) (residue 101 and name HB#) 2.4 0.6 0.6
assign (residue 101 and name HN) (residue 101 and name HD#) 2.9 0.9 0.9
assign (residue 101 and name HG#) (residue 101 and name HD2#) 2.9 0.9 0.9
assign (residue 101 and name HN) (residue 101 and name HG#) 2.9 0.9 0.9
assign (residue 101 and name HN) (residue 102 and name HN) 2.9 0.9 0.9
assign (residue 102 and name HN) (residue 100 and name HA) 4.5 1.5 1.5
assign (residue 102 and name HN) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 102 and name HN) (residue 100 and name HN) 3.6 1.2 1.2
assign (residue 102 and name HN) (residue 101 and name HA) 3.6 1.2 1.2
assign (residue 102 and name HN) (residue 101 and name HB#) 2.9 0.9 0.9
assign (residue 102 and name HN) (residue 101 and name HD#) 3.6 1.2 1.2
assign (residue 102 and name HN) (residue 101 and name HG#) 3.6 1.2 1.2
assign (residue 102 and name HN) (residue 101 and name HN) 2.9 0.9 0.9
assign (residue 102 and name HN) (residue 102 and name HA) 2.4 0.6 0.6
assign (residue 102 and name HN) (residue 102 and name HB#) 2.4 0.6 0.6
assign (residue 102 and name HN) (residue 102 and name HG1) 2.9 0.9 0.9
assign (residue 102 and name HN) (residue 102 and name HG2#) 2.9 0.9 0.9
assign (residue 102 and name HN) (residue 103 and name HA) 4.5 1.5 1.5
assign (residue 102 and name HN) (residue 103 and name HB#) 4.5 1.5 1.5
assign (residue 102 and name HN) (residue 103 and name HN) 2.4 0.6 0.6
assign (residue 103 and name HB2) (residue 77 and name HE1) 4.5 1.2 1.2
assign (residue 103 and name HB1) (residue 77 and name HE1) 4.5 1.2 1.2
assign (residue 103 and name HN) (residue 100 and name HA) 3.6 1.2 1.2
assign (residue 103 and name HN) (residue 100 and name HD1#) 4.5 1.5 1.5
assign (residue 103 and name HN) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 103 and name HB#) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 103 and name HN) (residue 101 and name HA) 4.5 1.5 1.5
assign (residue 103 and name HN) (residue 102 and name HA) 3.6 1.2 1.2
assign (residue 103 and name HN) (residue 102 and name HG2#) 4.5 1.5 1.5
assign (residue 103 and name HN) (residue 102 and name HN) 2.4 0.6 0.6
assign (residue 103 and name HN) (residue 103 and name HA) 2.9 0.9 0.9
assign (residue 103 and name HB#) (residue 103 and name HA) 4.5 1.5 1.5
assign (residue 103 and name HN) (residue 103 and name HB#) 2.9 0.9 0.9
assign (residue 103 and name HN) (residue 104 and name HA) 4.5 1.5 1.5
assign (residue 103 and name HN) (residue 104 and name HB#) 4.5 1.5 1.5
assign (residue 103 and name HN) (residue 104 and name HG2#) 4.5 1.5 1.5
assign (residue 103 and name HB#) (residue 104 and name HG2#) 4.5 1.5 1.5
assign (residue 103 and name HN) (residue 104 and name HN) 2.9 0.9 0.9
assign (residue 103 and name HN) (residue 105 and name HN) 4.5 1.5 1.5
assign (residue 103 and name HB1) (residue 107 and name HE1) 4.5 1.2 1.2
assign (residue 104 and name HN) (residue 100 and name HA) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 104 and name HA) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 104 and name HG2#) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 104 and name HG1) (residue 100 and name HG2#) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 101 and name HA) 3.6 1.2 1.2
assign (residue 104 and name HB#) (residue 101 and name HA) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 101 and name HB#) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 101 and name HD#) 4.5 1.5 1.5
assign (residue 104 and name HA) (residue 101 and name HD1#) 4.5 1.5 1.5
assign (residue 104 and name HB#) (residue 101 and name HD1#) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 101 and name HG#) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 102 and name HA) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 102 and name HG1) 2.9 0.9 0.9
assign (residue 104 and name HN) (residue 102 and name HN) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 103 and name HA) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 103 and name HB#) 3.6 1.2 1.2
assign (residue 104 and name HN) (residue 103 and name HN) 2.9 0.9 0.9
assign (residue 104 and name HN) (residue 104 and name HA) 3.6 1.2 1.2
assign (residue 104 and name HB#) (residue 104 and name HA) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 104 and name HB#) 3.6 1.2 1.2
assign (residue 104 and name HN) (residue 104 and name HG2#) 2.9 0.9 0.9
assign (residue 104 and name HB#) (residue 104 and name HG2#) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 105 and name HN) 2.9 0.9 0.9
assign (residue 104 and name HA) (residue 106 and name HG2#) 4.5 1.5 1.5
assign (residue 104 and name HA) (residue 107 and name HB#) 4.5 1.5 1.5
assign (residue 104 and name HA) (residue 107 and name HD2#) 4.5 1.5 1.5
assign (residue 104 and name HN) (residue 107 and name HN) 4.5 1.5 1.5
assign (residue 104 and name HA) (residue 108 and name HG2#) 4.5 1.5 1.5
assign (residue 105 and name HN) (residue 101 and name HA) 4.5 1.5 1.5
assign (residue 105 and name HN) (residue 101 and name HB#) 4.5 1.5 1.5
assign (residue 105 and name HN) (residue 101 and name HD#) 3.6 1.2 1.2
assign (residue 105 and name HN) (residue 101 and name HG#) 4.5 1.5 1.5
assign (residue 105 and name HN) (residue 103 and name HA) 4.5 1.5 1.5
assign (residue 105 and name HN) (residue 104 and name HA) 4.5 1.5 1.5
assign (residue 105 and name HN) (residue 104 and name HB#) 3.6 1.2 1.2
assign (residue 105 and name HN) (residue 104 and name HG2#) 4.5 1.5 1.5
assign (residue 105 and name HN) (residue 104 and name HN) 2.9 0.9 0.9
assign (residue 105 and name HN) (residue 105 and name HA) 2.9 0.9 0.9
assign (residue 105 and name HN) (residue 105 and name HB#) 2.4 0.6 0.6
assign (residue 105 and name HN) (residue 105 and name HG1) 2.9 0.9 0.9
assign (residue 105 and name HN) (residue 105 and name HG2#) 2.9 0.9 0.9
assign (residue 105 and name HN) (residue 106 and name HN) 2.9 0.9 0.9
assign (residue 105 and name HN) (residue 107 and name HB#) 4.5 1.5 1.5
assign (residue 105 and name HN) (residue 107 and name HN) 4.5 1.5 1.5
assign (residue 105 and name HN) (residue 108 and name HG2#) 4.5 1.5 1.5
assign (residue 105 and name HN) (residue 108 and name HN) 4.5 1.5 1.5
assign (residue 106 and name HN) (residue 104 and name HA) 4.5 1.5 1.5
assign (residue 106 and name HN) (residue 104 and name HN) 2.9 0.9 0.9
assign (residue 106 and name HN) (residue 105 and name HN) 2.9 0.9 0.9
assign (residue 106 and name HN) (residue 106 and name HA) 2.4 0.6 0.6
assign (residue 106 and name HN) (residue 106 and name HB#) 2.4 0.6 0.6
assign (residue 106 and name HN) (residue 106 and name HG1) 2.4 0.6 0.6
assign (residue 106 and name HN) (residue 107 and name HA) 4.5 1.5 1.5
assign (residue 106 and name HN) (residue 107 and name HB#) 4.5 1.5 1.5
assign (residue 106 and name HN) (residue 107 and name HN) 2.4 0.6 0.6
assign (residue 107 and name HB#) (residue 11 and name HA) 4.5 1.5 1.5
assign (residue 107 and name HB#) (residue 11 and name HG1) 4.5 1.5 1.5
assign (residue 107 and name HN) (residue 51 and name HE#) 4.5 1.5 1.5
assign (residue 107 and name HB#) (residue 70 and name HD1#) 4.5 1.5 1.5
assign (residue 107 and name HB#) (residue 70 and name HG2#) 4.5 1.5 1.5
assign (residue 107 and name HE2) (residue 73 and name OD2) 2.0 0.4 0.4
assign (residue 107 and name HE1) (residue 77 and name HD2) 3.6 1.2 1.2
assign (residue 107 and name HE1) (residue 77 and name HE1) 2.4 0.9 0.9
assign (residue 107 and name HN) (residue 103 and name HA) 3.6 1.2 1.2
assign (residue 107 and name HN) (residue 104 and name HA) 3.6 1.2 1.2
assign (residue 107 and name HN) (residue 105 and name HA) 4.5 1.5 1.5
assign (residue 107 and name HN) (residue 106 and name HA) 4.5 1.5 1.5
assign (residue 107 and name HN) (residue 106 and name HB#) 2.9 0.9 0.9
assign (residue 107 and name HB#) (residue 106 and name HB#) 4.5 1.5 1.5
assign (residue 107 and name HN) (residue 106 and name HG1) 4.5 1.5 1.5
assign (residue 107 and name HN) (residue 106 and name HG2#) 4.5 1.5 1.5
assign (residue 107 and name HB#) (residue 106 and name HG2#) 4.5 1.5 1.5
assign (residue 107 and name HN) (residue 106 and name HN) 2.9 0.9 0.9
assign (residue 107 and name HN) (residue 107 and name HA) 2.9 0.9 0.9
assign (residue 107 and name HB#) (residue 107 and name HA) 4.5 1.5 1.5
assign (residue 107 and name HN) (residue 107 and name HB#) 2.9 0.9 0.9
assign (residue 107 and name HA) (residue 107 and name HB#) 4.5 1.5 1.5
assign (residue 107 and name HA) (residue 107 and name HD2#) 4.5 1.5 1.5
assign (residue 107 and name HA) (residue 107 and name HD2) 2.9 0.9 0.9
assign (residue 107 and name HN) (residue 108 and name HB#) 4.5 1.5 1.5
assign (residue 107 and name HN) (residue 108 and name HG2#) 4.5 1.5 1.5
assign (residue 107 and name HB#) (residue 108 and name HG2#) 4.5 1.5 1.5
assign (residue 107 and name HN) (residue 108 and name HN) 2.9 0.9 0.9
assign (residue 107 and name HN) (residue 109 and name HN) 4.5 1.5 1.5
assign (residue 107 and name HN) (residue 110 and name HN) 3.6 1.2 1.2
assign (residue 107 and name HB#) (residue 111 and name HG1#) 4.5 1.5 1.5
assign (residue 107 and name HN) (residue 111 and name HN) 4.5 1.5 1.5
assign (residue 108 and name HN) (residue 104 and name HA) 4.5 1.5 1.5
assign (residue 108 and name HN) (residue 104 and name HN) 4.5 1.5 1.5
assign (residue 108 and name HN) (residue 105 and name HA) 3.6 1.2 1.2
assign (residue 108 and name HN) (residue 106 and name HN) 4.5 1.5 1.5
assign (residue 108 and name HN) (residue 107 and name HA) 4.5 1.5 1.5
assign (residue 108 and name HN) (residue 107 and name HB#) 2.9 0.9 0.9
assign (residue 108 and name HN) (residue 107 and name HN) 2.9 0.9 0.9
assign (residue 108 and name HN) (residue 108 and name HA) 2.9 0.9 0.9
assign (residue 108 and name HN) (residue 108 and name HB#) 2.4 0.6 0.6
assign (residue 108 and name HN) (residue 108 and name HG1#) 2.9 0.9 0.9
assign (residue 108 and name HN) (residue 108 and name HG2#) 2.4 0.6 0.6
assign (residue 108 and name HN) (residue 109 and name HN) 2.9 0.9 0.9
assign (residue 108 and name HN) (residue 111 and name HN) 4.5 1.5 1.5
assign (residue 109 and name HN) (residue 107 and name HA) 4.5 1.5 1.5
assign (residue 109 and name HN) (residue 108 and name HA) 4.5 1.5 1.5
assign (residue 109 and name HN) (residue 108 and name HB#) 2.4 0.6 0.6
assign (residue 109 and name HN) (residue 108 and name HG1#) 2.9 0.9 0.9
assign (residue 109 and name HN) (residue 108 and name HG2#) 3.6 1.2 1.2
assign (residue 109 and name HN) (residue 108 and name HN) 2.9 0.9 0.9
assign (residue 109 and name HN) (residue 109 and name HA) 2.4 0.6 0.6
assign (residue 109 and name HN) (residue 110 and name HN) 2.9 0.9 0.9
assign (residue 109 and name HN) (residue 111 and name HN) 4.5 1.5 1.5
assign (residue 109 and name HN) (residue 112 and name HN) 4.5 1.5 1.5
assign (residue 110 and name HN) (residue 107 and name HA) 3.6 1.2 1.2
assign (residue 110 and name HN) (residue 107 and name HB#) 4.5 1.5 1.5
assign (residue 110 and name HN) (residue 108 and name HA) 4.5 1.5 1.5
assign (residue 110 and name HN) (residue 108 and name HG1#) 4.5 1.5 1.5
assign (residue 110 and name HN) (residue 108 and name HN) 4.5 1.5 1.5
assign (residue 110 and name HN) (residue 109 and name HN) 2.9 0.9 0.9
assign (residue 110 and name HN) (residue 110 and name HA) 2.4 0.6 0.6
assign (residue 110 and name HN) (residue 110 and name HG1) 2.4 0.6 0.6
assign (residue 110 and name HN) (residue 111 and name HB#) 2.9 0.9 0.9
assign (residue 110 and name HN) (residue 111 and name HG1#) 3.6 1.2 1.2
assign (residue 110 and name HN) (residue 111 and name HN) 2.4 0.6 0.6
assign (residue 110 and name HN) (residue 113 and name HE#) 4.5 1.5 1.5
assign (residue 111 and name HD1#) (residue 7 and name HD2#) 4.5 1.5 1.5
assign (residue 111 and name HD1#) (residue 11 and name HG2#) 4.5 1.5 1.5
assign (residue 111 and name HN) (residue 107 and name HA) 4.5 1.5 1.5
assign (residue 111 and name HN) (residue 108 and name HA) 4.5 1.5 1.5
assign (residue 111 and name HD1#) (residue 108 and name HA) 4.5 1.5 1.5
assign (residue 111 and name HG2#) (residue 108 and name HA) 4.5 1.5 1.5
assign (residue 111 and name HN) (residue 109 and name HA) 2.9 0.9 0.9
assign (residue 111 and name HN) (residue 110 and name HB#) 2.9 0.9 0.9
assign (residue 111 and name HD1#) (residue 110 and name HB#) 4.5 1.5 1.5
assign (residue 111 and name HN) (residue 110 and name HG2#) 4.5 1.5 1.5
assign (residue 111 and name HN) (residue 110 and name HN) 2.9 0.9 0.9
assign (residue 111 and name HN) (residue 111 and name HA) 2.9 0.9 0.9
assign (residue 111 and name HD1#) (residue 111 and name HB#) 3.6 1.2 1.2
assign (residue 111 and name HG2#) (residue 111 and name HB#) 2.9 0.9 0.9
assign (residue 111 and name HN) (residue 111 and name HG1#) 2.4 0.6 0.6
assign (residue 111 and name HD1#) (residue 111 and name HG1#) 2.4 0.6 0.6
assign (residue 111 and name HN) (residue 111 and name HG2#) 2.9 0.9 0.9
assign (residue 111 and name HN) (residue 112 and name HN) 2.9 0.9 0.9
assign (residue 111 and name HN) (residue 113 and name HN) 3.6 1.2 1.2
assign (residue 112 and name HN) (residue 111 and name HG1#) 3.6 1.2 1.2
assign (residue 112 and name HN) (residue 111 and name HG2#) 2.9 0.9 0.9
assign (residue 112 and name HN) (residue 111 and name HN) 2.9 0.9 0.9
assign (residue 112 and name HN) (residue 112 and name HB#) 2.4 0.6 0.6
assign (residue 112 and name HN) (residue 112 and name HG1) 3.6 1.2 1.2
assign (residue 112 and name HN) (residue 112 and name HG2#) 3.6 1.2 1.2
assign (residue 112 and name HN) (residue 113 and name HA) 3.6 1.2 1.2!
assign (residue 112 and name HN) (residue 113 and name HN) 2.9 0.9 0.9
assign (residue 113 and name HN) (residue 111 and name HG1#) 3.6 1.2 1.2
assign (residue 113 and name HN) (residue 112 and name HB#) 2.9 0.9 0.9
assign (residue 113 and name HN) (residue 112 and name HG2#) 4.5 1.5 1.5
assign (residue 113 and name HN) (residue 112 and name HN) 2.4 0.6 0.6
assign (residue 113 and name HN) (residue 113 and name HA) 2.4 0.6 0.6
assign (residue 113 and name HN) (residue 113 and name HB#) 2.4 0.6 0.6
assign (residue 114 and name HN) (residue 111 and name HA) 4.5 1.5 1.5
assign (residue 114 and name HN) (residue 111 and name HG2#) 4.5 1.5 1.5
assign (residue 114 and name HN) (residue 112 and name HA) 3.6 1.2 1.2!
assign (residue 114 and name HN) (residue 113 and name HA) 3.6 1.2 1.2!
assign (residue 114 and name HN) (residue 113 and name HB#) 2.9 0.9 0.9
assign (residue 114 and name HN) (residue 113 and name HN) 2.9 0.9 0.9
assign (residue 114 and name HN) (residue 114 and name HA) 2.9 0.9 0.9
assign (residue 114 and name HN) (residue 114 and name HD#) 2.4 0.6 0.6
assign (residue 114 and name HN) (residue 114 and name HE#) 4.5 1.5 1.5
assign (residue 114 and name HN) (residue 114 and name HG1) 2.9 0.9 0.9
assign (residue 114 and name HN) (residue 115 and name HN) 2.9 0.9 0.9
assign (residue 115 and name HN) (residue 2 and name HA) 4.5 1.5 1.5
assign (residue 115 and name HN) (residue 111 and name HG2#) 4.5 1.5 1.5
assign (residue 115 and name HN) (residue 113 and name HA) 3.6 1.2 1.2
assign (residue 115 and name HN) (residue 113 and name HB#) 2.9 0.9 0.9
assign (residue 115 and name HN) (residue 113 and name HE#) 4.5 1.5 1.5
assign (residue 115 and name HN) (residue 113 and name HG#) 3.6 1.2 1.2
assign (residue 115 and name HN) (residue 113 and name HN) 4.5 1.5 1.5
assign (residue 115 and name HN) (residue 114 and name HA) 2.4 0.6 0.6
assign (residue 115 and name HN) (residue 114 and name HD#) 3.6 1.2 1.2
assign (residue 115 and name HN) (residue 114 and name HN) 2.9 0.9 0.9

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          H1        MET   1  20.501  -3.113   3.410
    2   2H    MET   1          H2        MET   1  19.050  -3.615   3.892
    3   3H    MET   1          H3        MET   1  20.382  -4.379   4.402
    4    HA   MET   1           HA       MET   1  19.609  -3.106   6.174
    5   1HB   MET   1          HB2       MET   1  22.060  -3.229   5.727
    6   2HB   MET   1          HB3       MET   1  21.984  -1.659   4.986
    7   1HG   MET   1          HG2       MET   1  21.106  -2.232   7.810
    8   2HG   MET   1          HG3       MET   1  22.745  -1.812   7.399
    9   1HE   MET   1          HE1       MET   1  22.734   0.557   5.477
   10   2HE   MET   1          HE2       MET   1  23.601   0.485   6.943
   11   3HE   MET   1          HE3       MET   1  22.647   1.868   6.568
   12    H    ASP   2           H        ASP   2  20.013  -0.944   3.307
   13    HA   ASP   2           HA       ASP   2  18.218   0.996   4.612
   14   1HB   ASP   2          HB2       ASP   2  19.347   2.715   3.455
   15   2HB   ASP   2          HB3       ASP   2  20.518   1.730   4.266
   16    H    GLU   3           H        GLU   3  17.252  -1.291   3.023
   17    HA   GLU   3           HA       GLU   3  16.163  -0.560   0.513
   18   1HB   GLU   3          HB2       GLU   3  15.077  -2.344   2.721
   19   2HB   GLU   3          HB3       GLU   3  14.316  -2.163   1.161
   20   1HG   GLU   3          HG2       GLU   3  15.592  -4.164   1.132
   21   2HG   GLU   3          HG3       GLU   3  16.293  -3.008   0.025
   22    H    LEU   4           H        LEU   4  15.079   0.427   3.744
   23    HA   LEU   4           HA       LEU   4  12.543   1.302   3.125
   24   1HB   LEU   4          HB2       LEU   4  12.479   2.402   5.089
   25   2HB   LEU   4          HB3       LEU   4  13.623   1.129   5.385
   26    HG   LEU   4           HG       LEU   4  14.223   4.067   4.920
   27   1HD1  LEU   4          HD11      LEU   4  14.371   2.361   7.398
   28   2HD1  LEU   4          HD12      LEU   4  13.185   3.544   7.060
   29   3HD1  LEU   4          HD13      LEU   4  14.802   4.019   7.287
   30   1HD2  LEU   4          HD21      LEU   4  16.118   2.734   4.136
   31   2HD2  LEU   4          HD22      LEU   4  16.149   1.881   5.668
   32   3HD2  LEU   4          HD23      LEU   4  16.490   3.597   5.586
   33    H    ARG   5           H        ARG   5  15.404   2.776   1.948
   34    HA   ARG   5           HA       ARG   5  14.257   5.387   1.285
   35   1HB   ARG   5          HB2       ARG   5  16.747   3.943   0.322
   36   2HB   ARG   5          HB3       ARG   5  16.308   5.593  -0.106
   37   1HG   ARG   5          HG2       ARG   5  16.299   6.168   2.300
   38   2HG   ARG   5          HG3       ARG   5  16.882   4.581   2.689
   39   1HD   ARG   5          HD2       ARG   5  18.919   4.999   1.515
   40   2HD   ARG   5          HD3       ARG   5  18.322   6.515   0.930
   41    HE   ARG   5           HE       ARG   5  18.326   6.224   3.826
   42   1HH1  ARG   5          HH11      ARG   5  20.181   7.575   1.178
   43   2HH1  ARG   5          HH12      ARG   5  20.831   8.768   2.246
   44   1HH2  ARG   5          HH21      ARG   5  19.237   7.642   4.992
   45   2HH2  ARG   5          HH22      ARG   5  20.389   8.771   4.328
   46    H    GLU   6           H        GLU   6  14.198   2.271  -0.257
   47    HA   GLU   6           HA       GLU   6  12.982   3.447  -2.717
   48   1HB   GLU   6          HB2       GLU   6  13.768   0.584  -2.140
   49   2HB   GLU   6          HB3       GLU   6  13.160   1.214  -3.654
   50   1HG   GLU   6          HG2       GLU   6  15.812   1.865  -2.358
   51   2HG   GLU   6          HG3       GLU   6  15.533   0.900  -3.790
   52    H    LEU   7           H        LEU   7  12.196   1.578   0.165
   53    HA   LEU   7           HA       LEU   7   9.474   1.003  -0.622
   54   1HB   LEU   7          HB2       LEU   7  10.777   1.233   2.086
   55   2HB   LEU   7          HB3       LEU   7   9.141   0.707   1.851
   56    HG   LEU   7           HG       LEU   7  11.532  -0.708   0.711
   57   1HD1  LEU   7          HD11      LEU   7   9.883  -1.413   3.077
   58   2HD1  LEU   7          HD12      LEU   7  11.514  -0.903   3.095
   59   3HD1  LEU   7          HD13      LEU   7  11.098  -2.412   2.405
   60   1HD2  LEU   7          HD21      LEU   7   8.655  -1.302   0.682
   61   2HD2  LEU   7          HD22      LEU   7   9.790  -2.522   0.520
   62   3HD2  LEU   7          HD23      LEU   7   9.714  -1.267  -0.621
   63    H    LEU   8           H        LEU   8  10.966   3.860   0.927
   64    HA   LEU   8           HA       LEU   8   8.632   5.365   1.373
   65   1HB   LEU   8          HB2       LEU   8  10.830   6.083   2.098
   66   2HB   LEU   8          HB3       LEU   8  11.400   6.185   0.459
   67    HG   LEU   8           HG       LEU   8   9.932   8.073   0.020
   68   1HD1  LEU   8          HD11      LEU   8   8.094   7.631   1.544
   69   2HD1  LEU   8          HD12      LEU   8   8.765   9.183   1.864
   70   3HD1  LEU   8          HD13      LEU   8   9.146   7.861   2.900
   71   1HD2  LEU   8          HD21      LEU   8  11.107   9.668   1.400
   72   2HD2  LEU   8          HD22      LEU   8  12.171   8.446   0.933
   73   3HD2  LEU   8          HD23      LEU   8  11.551   8.467   2.506
   74    H    LYS   9           H        LYS   9  10.458   5.026  -1.655
   75    HA   LYS   9           HA       LYS   9   8.771   6.681  -3.274
   76   1HB   LYS   9          HB2       LYS   9  10.469   4.327  -4.154
   77   2HB   LYS   9          HB3       LYS   9   9.838   5.601  -5.165
   78   1HG   LYS   9          HG2       LYS   9  11.205   7.252  -3.981
   79   2HG   LYS   9          HG3       LYS   9  11.837   6.001  -2.934
   80   1HD   LYS   9          HD2       LYS   9  12.828   4.852  -4.863
   81   2HD   LYS   9          HD3       LYS   9  12.147   6.052  -5.937
   82   1HE   LYS   9          HE2       LYS   9  14.414   6.634  -5.622
   83   2HE   LYS   9          HE3       LYS   9  13.446   7.812  -4.762
   84   1HZ   LYS   9          HZ1       LYS   9  13.952   6.602  -2.716
   85   2HZ   LYS   9          HZ2       LYS   9  15.278   7.109  -3.428
   86   3HZ   LYS   9          HZ3       LYS   9  14.886   5.551  -3.528
   87    H    ALA  10           H        ALA  10   8.653   3.192  -2.564
   88    HA   ALA  10           HA       ALA  10   6.447   2.595  -4.237
   89   1HB   ALA  10          HB1       ALA  10   6.310   0.545  -2.982
   90   2HB   ALA  10          HB2       ALA  10   7.280   1.202  -1.688
   91   3HB   ALA  10          HB3       ALA  10   7.986   0.936  -3.271
   92    H    GLU  11           H        GLU  11   6.453   3.657  -0.793
   93    HA   GLU  11           HA       GLU  11   3.589   3.547  -0.494
   94   1HB   GLU  11          HB2       GLU  11   5.668   5.231   0.996
   95   2HB   GLU  11          HB3       GLU  11   3.966   4.958   1.367
   96   1HG   GLU  11          HG2       GLU  11   6.193   2.868   1.506
   97   2HG   GLU  11          HG3       GLU  11   5.333   3.582   2.846
   98    H    GLN  12           H        GLN  12   5.766   6.260  -1.428
   99    HA   GLN  12           HA       GLN  12   3.729   8.233  -1.764
  100   1HB   GLN  12          HB2       GLN  12   6.425   7.858  -3.103
  101   2HB   GLN  12          HB3       GLN  12   5.390   9.238  -3.397
  102   1HG   GLN  12          HG2       GLN  12   5.473   9.851  -1.037
  103   2HG   GLN  12          HG3       GLN  12   6.496   8.496  -0.683
  104   1HE2  GLN  12          HE21      GLN  12   7.317  11.104  -0.031
  105   2HE2  GLN  12          HE22      GLN  12   8.578  11.531  -1.104
  106    H    GLN  13           H        GLN  13   5.025   5.853  -4.098
  107    HA   GLN  13           HA       GLN  13   3.341   6.547  -6.295
  108   1HB   GLN  13          HB2       GLN  13   4.769   4.008  -5.491
  109   2HB   GLN  13          HB3       GLN  13   3.881   4.146  -6.985
  110   1HG   GLN  13          HG2       GLN  13   5.319   5.773  -7.860
  111   2HG   GLN  13          HG3       GLN  13   6.028   6.140  -6.323
  112   1HE2  GLN  13          HE21      GLN  13   8.140   5.785  -7.210
  113   2HE2  GLN  13          HE22      GLN  13   8.719   4.171  -7.384
  114    H    ALA  14           H        ALA  14   2.811   4.227  -3.596
  115    HA   ALA  14           HA       ALA  14   0.391   3.126  -4.569
  116   1HB   ALA  14          HB1       ALA  14   0.063   2.370  -2.275
  117   2HB   ALA  14          HB2       ALA  14   1.314   3.454  -1.698
  118   3HB   ALA  14          HB3       ALA  14   1.723   2.127  -2.771
  119    H    ILE  15           H        ILE  15   0.912   5.931  -2.388
  120    HA   ILE  15           HA       ILE  15  -1.811   6.660  -2.013
  121    HB   ILE  15           HB       ILE  15   0.718   8.332  -2.098
  122   1HG1  ILE  15          HG13      ILE  15  -0.910   7.503   0.335
  123   2HG1  ILE  15          HG12      ILE  15   0.381   6.500  -0.295
  124   1HG2  ILE  15          HG21      ILE  15  -0.594  10.067  -0.881
  125   2HG2  ILE  15          HG22      ILE  15  -2.057   9.145  -1.173
  126   3HG2  ILE  15          HG23      ILE  15  -1.142   9.840  -2.505
  127   1HD1  ILE  15          HD11      ILE  15   1.979   8.387  -0.037
  128   2HD1  ILE  15          HD12      ILE  15   1.287   7.809   1.455
  129   3HD1  ILE  15          HD13      ILE  15   0.712   9.304   0.762
  130    H    LYS  16           H        LYS  16   0.466   7.670  -4.581
  131    HA   LYS  16           HA       LYS  16  -1.334   9.394  -5.954
  132   1HB   LYS  16          HB2       LYS  16   1.154   7.947  -6.840
  133   2HB   LYS  16          HB3       LYS  16   0.311   9.088  -7.850
  134   1HG   LYS  16          HG2       LYS  16   0.733  10.897  -6.390
  135   2HG   LYS  16          HG3       LYS  16   1.264   9.859  -5.100
  136   1HD   LYS  16          HD2       LYS  16   3.161   9.136  -6.537
  137   2HD   LYS  16          HD3       LYS  16   2.681  10.298  -7.711
  138   1HE   LYS  16          HE2       LYS  16   2.953  12.035  -6.034
  139   2HE   LYS  16          HE3       LYS  16   3.473  10.851  -4.922
  140   1HZ   LYS  16          HZ1       LYS  16   4.900  11.897  -7.176
  141   2HZ   LYS  16          HZ2       LYS  16   5.180  10.372  -6.788
  142   3HZ   LYS  16          HZ3       LYS  16   5.445  11.534  -5.728
  143    H    ILE  17           H        ILE  17  -1.028   5.889  -6.318
  144    HA   ILE  17           HA       ILE  17  -2.878   5.963  -8.598
  145    HB   ILE  17           HB       ILE  17  -1.145   4.306  -8.659
  146   1HG1  ILE  17          HG13      ILE  17  -2.493   2.304  -9.150
  147   2HG1  ILE  17          HG12      ILE  17  -3.889   3.052  -8.445
  148   1HG2  ILE  17          HG21      ILE  17  -1.198   2.300  -7.229
  149   2HG2  ILE  17          HG22      ILE  17  -2.401   3.060  -6.208
  150   3HG2  ILE  17          HG23      ILE  17  -0.802   3.749  -6.358
  151   1HD1  ILE  17          HD11      ILE  17  -3.817   3.174 -10.900
  152   2HD1  ILE  17          HD12      ILE  17  -2.402   4.144 -10.807
  153   3HD1  ILE  17          HD13      ILE  17  -3.897   4.738 -10.194
  154    H    TYR  18           H        TYR  18  -3.123   5.133  -5.100
  155    HA   TYR  18           HA       TYR  18  -5.889   4.458  -5.217
  156   1HB   TYR  18          HB2       TYR  18  -4.055   5.372  -3.026
  157   2HB   TYR  18          HB3       TYR  18  -5.777   5.404  -2.781
  158    HD1  TYR  18           HD1      TYR  18  -7.148   3.364  -3.088
  159    HD2  TYR  18           HD2      TYR  18  -2.931   3.243  -2.698
  160    HE1  TYR  18           HE1      TYR  18  -7.280   0.954  -2.489
  161    HE2  TYR  18           HE2      TYR  18  -3.058   0.840  -2.107
  162    HH   TYR  18           HH       TYR  18  -4.416  -0.926  -1.669
  163    H    LYS  19           H        LYS  19  -4.345   7.661  -5.005
  164    HA   LYS  19           HA       LYS  19  -6.686   9.251  -4.765
  165   1HB   LYS  19          HB2       LYS  19  -3.958   9.707  -5.960
  166   2HB   LYS  19          HB3       LYS  19  -5.192  10.918  -6.120
  167   1HG   LYS  19          HG2       LYS  19  -5.427  11.117  -3.749
  168   2HG   LYS  19          HG3       LYS  19  -4.322   9.829  -3.477
  169   1HD   LYS  19          HD2       LYS  19  -2.542  11.149  -4.448
  170   2HD   LYS  19          HD3       LYS  19  -3.640  12.437  -4.726
  171   1HE   LYS  19          HE2       LYS  19  -4.063  12.602  -2.355
  172   2HE   LYS  19          HE3       LYS  19  -3.008  11.296  -2.060
  173   1HZ   LYS  19          HZ1       LYS  19  -2.218  13.885  -3.103
  174   2HZ   LYS  19          HZ2       LYS  19  -1.210  12.657  -2.892
  175   3HZ   LYS  19          HZ3       LYS  19  -1.914  13.333  -1.629
  176    H    GLU  20           H        GLU  20  -5.369   7.774  -7.692
  177    HA   GLU  20           HA       GLU  20  -7.279   9.068  -9.466
  178   1HB   GLU  20          HB2       GLU  20  -4.996   8.239 -10.148
  179   2HB   GLU  20          HB3       GLU  20  -5.562   6.611  -9.926
  180   1HG   GLU  20          HG2       GLU  20  -5.692   6.971 -12.205
  181   2HG   GLU  20          HG3       GLU  20  -7.338   7.092 -11.682
  182    H    VAL  21           H        VAL  21  -6.954   5.750  -8.101
  183    HA   VAL  21           HA       VAL  21  -9.318   4.718  -9.260
  184    HB   VAL  21           HB       VAL  21  -7.951   3.849  -6.723
  185   1HG1  VAL  21          HG11      VAL  21 -10.149   2.916  -6.737
  186   2HG1  VAL  21          HG12      VAL  21  -9.051   1.668  -7.167
  187   3HG1  VAL  21          HG13      VAL  21  -9.993   2.445  -8.372
  188   1HG2  VAL  21          HG21      VAL  21  -6.559   3.654  -8.711
  189   2HG2  VAL  21          HG22      VAL  21  -7.768   2.786  -9.488
  190   3HG2  VAL  21          HG23      VAL  21  -6.975   2.118  -8.152
  191    H    LEU  22           H        LEU  22  -8.959   6.532  -6.212
  192    HA   LEU  22           HA       LEU  22 -11.610   6.235  -5.291
  193   1HB   LEU  22          HB2       LEU  22  -9.697   7.145  -4.033
  194   2HB   LEU  22          HB3       LEU  22  -9.701   8.582  -5.005
  195    HG   LEU  22           HG       LEU  22 -10.634   8.753  -2.700
  196   1HD1  LEU  22          HD11      LEU  22 -12.371  10.266  -3.206
  197   2HD1  LEU  22          HD12      LEU  22 -12.678   9.557  -4.758
  198   3HD1  LEU  22          HD13      LEU  22 -11.192  10.397  -4.460
  199   1HD2  LEU  22          HD21      LEU  22 -13.035   7.277  -3.781
  200   2HD2  LEU  22          HD22      LEU  22 -12.863   8.007  -2.199
  201   3HD2  LEU  22          HD23      LEU  22 -11.873   6.640  -2.635
  202    H    LYS  23           H        LYS  23 -10.323   8.645  -7.628
  203    HA   LYS  23           HA       LYS  23 -12.831  10.012  -8.027
  204   1HB   LYS  23          HB2       LYS  23 -10.492   9.716  -9.939
  205   2HB   LYS  23          HB3       LYS  23 -11.859  10.781 -10.154
  206   1HG   LYS  23          HG2       LYS  23 -11.249  11.994  -8.102
  207   2HG   LYS  23          HG3       LYS  23  -9.841  10.962  -7.930
  208   1HD   LYS  23          HD2       LYS  23  -9.071  11.694 -10.152
  209   2HD   LYS  23          HD3       LYS  23 -10.438  12.776 -10.267
  210   1HE   LYS  23          HE2       LYS  23  -9.643  14.023  -8.333
  211   2HE   LYS  23          HE3       LYS  23  -8.347  12.882  -8.109
  212   1HZ   LYS  23          HZ1       LYS  23  -7.514  13.532 -10.270
  213   2HZ   LYS  23          HZ2       LYS  23  -7.522  14.785  -9.276
  214   3HZ   LYS  23          HZ3       LYS  23  -8.644  14.651 -10.406
  215    H    LYS  24           H        LYS  24 -11.381   7.212  -9.682
  216    HA   LYS  24           HA       LYS  24 -13.524   6.884 -11.587
  217   1HB   LYS  24          HB2       LYS  24 -11.610   4.764 -10.540
  218   2HB   LYS  24          HB3       LYS  24 -12.575   4.664 -11.992
  219   1HG   LYS  24          HG2       LYS  24 -10.160   6.377 -11.466
  220   2HG   LYS  24          HG3       LYS  24 -10.349   5.116 -12.645
  221   1HD   LYS  24          HD2       LYS  24 -11.640   7.849 -12.712
  222   2HD   LYS  24          HD3       LYS  24 -10.322   7.294 -13.697
  223   1HE   LYS  24          HE2       LYS  24 -11.790   5.602 -14.675
  224   2HE   LYS  24          HE3       LYS  24 -13.096   6.180 -13.725
  225   1HZ   LYS  24          HZ1       LYS  24 -13.141   7.021 -15.942
  226   2HZ   LYS  24          HZ2       LYS  24 -11.697   7.755 -15.725
  227   3HZ   LYS  24          HZ3       LYS  24 -13.025   8.226 -14.875
  228    H    ALA  25           H        ALA  25 -13.025   5.455  -8.371
  229    HA   ALA  25           HA       ALA  25 -15.336   3.799  -8.368
  230   1HB   ALA  25          HB1       ALA  25 -13.891   5.101  -6.050
  231   2HB   ALA  25          HB2       ALA  25 -13.487   3.582  -6.774
  232   3HB   ALA  25          HB3       ALA  25 -14.993   3.771  -5.946
  233    H    LYS  26           H        LYS  26 -14.973   7.243  -7.439
  234    HA   LYS  26           HA       LYS  26 -17.809   7.516  -6.789
  235   1HB   LYS  26          HB2       LYS  26 -15.598   9.556  -7.187
  236   2HB   LYS  26          HB3       LYS  26 -17.259   9.960  -6.761
  237   1HG   LYS  26          HG2       LYS  26 -17.054   8.460  -4.773
  238   2HG   LYS  26          HG3       LYS  26 -15.362   8.282  -5.130
  239   1HD   LYS  26          HD2       LYS  26 -15.097  10.730  -4.910
  240   2HD   LYS  26          HD3       LYS  26 -16.784  10.859  -4.489
  241   1HE   LYS  26          HE2       LYS  26 -16.416   9.369  -2.582
  242   2HE   LYS  26          HE3       LYS  26 -14.748   9.258  -2.999
  243   1HZ   LYS  26          HZ1       LYS  26 -15.039  10.881  -1.307
  244   2HZ   LYS  26          HZ2       LYS  26 -16.128  11.677  -2.132
  245   3HZ   LYS  26          HZ3       LYS  26 -14.631  11.650  -2.625
  246    H    GLU  27           H        GLU  27 -15.951   8.059  -9.742
  247    HA   GLU  27           HA       GLU  27 -18.076   9.234 -11.270
  248   1HB   GLU  27          HB2       GLU  27 -15.572   9.135 -11.782
  249   2HB   GLU  27          HB3       GLU  27 -15.835   7.523 -12.325
  250   1HG   GLU  27          HG2       GLU  27 -17.445   8.471 -13.935
  251   2HG   GLU  27          HG3       GLU  27 -16.970  10.016 -13.444
  252    H    GLY  28           H        GLY  28 -17.478   5.960 -10.266
  253   1HA   GLY  28          HA2       GLY  28 -18.607   4.011 -10.558
  254   2HA   GLY  28          HA3       GLY  28 -19.908   4.877 -11.332
  255    H    ASP  29           H        ASP  29 -16.632   5.034 -12.510
  256    HA   ASP  29           HA       ASP  29 -17.416   4.082 -15.123
  257   1HB   ASP  29          HB2       ASP  29 -16.017   6.097 -14.715
  258   2HB   ASP  29          HB3       ASP  29 -14.728   5.059 -14.195
  259    H    GLU  30           H        GLU  30 -17.876   1.969 -13.828
  260    HA   GLU  30           HA       GLU  30 -15.824   0.359 -12.877
  261   1HB   GLU  30          HB2       GLU  30 -18.404  -0.690 -14.004
  262   2HB   GLU  30          HB3       GLU  30 -17.364  -1.445 -12.835
  263   1HG   GLU  30          HG2       GLU  30 -17.828   0.644 -11.396
  264   2HG   GLU  30          HG3       GLU  30 -19.174   0.887 -12.456
  265    H    GLN  31           H        GLN  31 -16.398   0.924 -16.134
  266    HA   GLN  31           HA       GLN  31 -15.122  -1.516 -17.138
  267   1HB   GLN  31          HB2       GLN  31 -15.966   1.027 -18.533
  268   2HB   GLN  31          HB3       GLN  31 -15.329  -0.390 -19.324
  269   1HG   GLN  31          HG2       GLN  31 -17.195  -1.728 -18.472
  270   2HG   GLN  31          HG3       GLN  31 -17.867  -0.333 -17.700
  271   1HE2  GLN  31          HE21      GLN  31 -18.456   1.513 -19.158
  272   2HE2  GLN  31          HE22      GLN  31 -18.995   1.121 -20.764
  273    H    GLU  32           H        GLU  32 -14.033   1.589 -16.000
  274    HA   GLU  32           HA       GLU  32 -11.273   1.155 -16.976
  275   1HB   GLU  32          HB2       GLU  32 -12.230   3.456 -16.590
  276   2HB   GLU  32          HB3       GLU  32 -12.304   3.093 -14.907
  277   1HG   GLU  32          HG2       GLU  32 -10.332   4.199 -14.958
  278   2HG   GLU  32          HG3       GLU  32  -9.748   2.589 -15.186
  279    H    LEU  33           H        LEU  33 -13.190   0.906 -13.946
  280    HA   LEU  33           HA       LEU  33 -11.100   0.049 -12.266
  281   1HB   LEU  33          HB2       LEU  33 -14.031  -0.690 -12.137
  282   2HB   LEU  33          HB3       LEU  33 -12.886  -0.946 -10.863
  283    HG   LEU  33           HG       LEU  33 -13.724   1.771 -11.915
  284   1HD1  LEU  33          HD11      LEU  33 -14.321   0.413  -9.289
  285   2HD1  LEU  33          HD12      LEU  33 -15.443   0.606 -10.575
  286   3HD1  LEU  33          HD13      LEU  33 -14.836   1.987  -9.769
  287   1HD2  LEU  33          HD21      LEU  33 -11.449   1.940 -11.091
  288   2HD2  LEU  33          HD22      LEU  33 -11.859   1.024  -9.644
  289   3HD2  LEU  33          HD23      LEU  33 -12.525   2.630  -9.895
  290    H    ALA  34           H        ALA  34 -13.137  -1.971 -14.370
  291    HA   ALA  34           HA       ALA  34 -12.115  -4.480 -13.665
  292   1HB   ALA  34          HB1       ALA  34 -13.022  -5.186 -15.813
  293   2HB   ALA  34          HB2       ALA  34 -13.163  -3.521 -16.307
  294   3HB   ALA  34          HB3       ALA  34 -14.125  -4.119 -14.976
  295    H    ARG  35           H        ARG  35 -10.327  -2.028 -15.112
  296    HA   ARG  35           HA       ARG  35  -8.131  -3.907 -15.755
  297   1HB   ARG  35          HB2       ARG  35  -7.556  -2.682 -17.758
  298   2HB   ARG  35          HB3       ARG  35  -9.186  -3.302 -17.878
  299   1HG   ARG  35          HG2       ARG  35 -10.092  -1.078 -17.355
  300   2HG   ARG  35          HG3       ARG  35  -8.475  -0.444 -17.158
  301   1HD   ARG  35          HD2       ARG  35  -8.062  -1.077 -19.547
  302   2HD   ARG  35          HD3       ARG  35  -9.755  -1.440 -19.677
  303    HE   ARG  35           HE       ARG  35  -9.297   1.179 -18.609
  304   1HH1  ARG  35          HH11      ARG  35  -9.428  -0.353 -21.772
  305   2HH1  ARG  35          HH12      ARG  35  -9.618   1.206 -22.504
  306   1HH2  ARG  35          HH21      ARG  35  -9.521   2.953 -19.628
  307   2HH2  ARG  35          HH22      ARG  35  -9.665   3.007 -21.358
  308    H    LEU  36           H        LEU  36  -8.848  -1.952 -13.500
  309    HA   LEU  36           HA       LEU  36  -6.192  -0.643 -13.352
  310   1HB   LEU  36          HB2       LEU  36  -7.947   0.928 -14.219
  311   2HB   LEU  36          HB3       LEU  36  -8.803   0.742 -12.706
  312    HG   LEU  36           HG       LEU  36  -6.851   1.722 -11.519
  313   1HD1  LEU  36          HD11      LEU  36  -5.779   2.079 -14.291
  314   2HD1  LEU  36          HD12      LEU  36  -5.030   1.216 -12.987
  315   3HD1  LEU  36          HD13      LEU  36  -5.179   2.945 -12.915
  316   1HD2  LEU  36          HD21      LEU  36  -7.859   3.440 -13.762
  317   2HD2  LEU  36          HD22      LEU  36  -7.215   4.000 -12.246
  318   3HD2  LEU  36          HD23      LEU  36  -8.715   3.120 -12.282
  319    H    ILE  37           H        ILE  37  -8.899  -2.044 -11.499
  320    HA   ILE  37           HA       ILE  37  -7.793  -1.531  -8.901
  321    HB   ILE  37           HB       ILE  37  -9.648  -3.692  -9.899
  322   1HG1  ILE  37          HG12      ILE  37 -10.064  -1.226  -8.208
  323   2HG1  ILE  37          HG13      ILE  37 -10.474  -1.368  -9.863
  324   1HG2  ILE  37          HG21      ILE  37 -10.097  -4.262  -7.549
  325   2HG2  ILE  37          HG22      ILE  37  -8.838  -3.163  -7.041
  326   3HG2  ILE  37          HG23      ILE  37  -8.459  -4.598  -7.957
  327   1HD1  ILE  37          HD11      ILE  37 -12.467  -1.565  -8.593
  328   2HD1  ILE  37          HD12      ILE  37 -11.779  -2.797  -7.618
  329   3HD1  ILE  37          HD13      ILE  37 -12.097  -3.108  -9.285
  330    H    GLN  38           H        GLN  38  -7.059  -3.977 -11.323
  331    HA   GLN  38           HA       GLN  38  -5.232  -5.610 -10.044
  332   1HB   GLN  38          HB2       GLN  38  -4.175  -5.836 -12.228
  333   2HB   GLN  38          HB3       GLN  38  -5.912  -5.917 -12.312
  334   1HG   GLN  38          HG2       GLN  38  -5.963  -3.612 -13.157
  335   2HG   GLN  38          HG3       GLN  38  -4.250  -3.526 -13.048
  336   1HE2  GLN  38          HE21      GLN  38  -3.797  -3.406 -15.194
  337   2HE2  GLN  38          HE22      GLN  38  -4.232  -4.538 -16.388
  338    H    GLU  39           H        GLU  39  -4.723  -2.186 -10.736
  339    HA   GLU  39           HA       GLU  39  -1.829  -2.374 -10.387
  340   1HB   GLU  39          HB2       GLU  39  -3.070  -0.809 -11.984
  341   2HB   GLU  39          HB3       GLU  39  -3.560   0.113 -10.577
  342   1HG   GLU  39          HG2       GLU  39  -1.614   1.112 -11.655
  343   2HG   GLU  39          HG3       GLU  39  -1.216   0.580 -10.035
  344    H    ILE  40           H        ILE  40  -4.607  -1.391  -8.382
  345    HA   ILE  40           HA       ILE  40  -2.828  -0.664  -6.149
  346    HB   ILE  40           HB       ILE  40  -4.855  -0.528  -4.777
  347   1HG1  ILE  40          HG13      ILE  40  -6.443  -0.768  -7.328
  348   2HG1  ILE  40          HG12      ILE  40  -6.316  -2.046  -6.142
  349   1HG2  ILE  40          HG21      ILE  40  -5.508   1.638  -5.732
  350   2HG2  ILE  40          HG22      ILE  40  -4.812   1.179  -7.268
  351   3HG2  ILE  40          HG23      ILE  40  -3.804   1.379  -5.858
  352   1HD1  ILE  40          HD11      ILE  40  -8.382  -0.858  -5.845
  353   2HD1  ILE  40          HD12      ILE  40  -7.536   0.642  -5.634
  354   3HD1  ILE  40          HD13      ILE  40  -7.351  -0.627  -4.472
  355    H    VAL  41           H        VAL  41  -4.670  -3.535  -7.160
  356    HA   VAL  41           HA       VAL  41  -3.938  -5.189  -4.930
  357    HB   VAL  41           HB       VAL  41  -4.430  -5.857  -7.840
  358   1HG1  VAL  41          HG11      VAL  41  -3.023  -7.642  -6.970
  359   2HG1  VAL  41          HG12      VAL  41  -4.649  -8.210  -7.105
  360   3HG1  VAL  41          HG13      VAL  41  -4.007  -7.771  -5.544
  361   1HG2  VAL  41          HG21      VAL  41  -6.383  -5.087  -6.462
  362   2HG2  VAL  41          HG22      VAL  41  -6.104  -6.408  -5.389
  363   3HG2  VAL  41          HG23      VAL  41  -6.543  -6.698  -7.040
  364    H    LYS  42           H        LYS  42  -2.143  -4.487  -7.987
  365    HA   LYS  42           HA       LYS  42   0.181  -5.920  -7.206
  366   1HB   LYS  42          HB2       LYS  42  -0.317  -5.232  -9.497
  367   2HB   LYS  42          HB3       LYS  42   0.045  -3.581  -9.096
  368   1HG   LYS  42          HG2       LYS  42   2.338  -4.101  -8.727
  369   2HG   LYS  42          HG3       LYS  42   2.011  -5.810  -8.674
  370   1HD   LYS  42          HD2       LYS  42   3.124  -5.199 -10.757
  371   2HD   LYS  42          HD3       LYS  42   1.538  -5.874 -11.022
  372   1HE   LYS  42          HE2       LYS  42   1.695  -4.070 -12.509
  373   2HE   LYS  42          HE3       LYS  42   0.642  -3.531 -11.232
  374   1HZ   LYS  42          HZ1       LYS  42   2.698  -2.448 -10.292
  375   2HZ   LYS  42          HZ2       LYS  42   2.103  -1.823 -11.624
  376   3HZ   LYS  42          HZ3       LYS  42   3.431  -2.762 -11.669
  377    H    ALA  43           H        ALA  43  -0.737  -2.578  -6.390
  378    HA   ALA  43           HA       ALA  43   1.759  -1.817  -5.281
  379   1HB   ALA  43          HB1       ALA  43   0.526  -0.086  -4.130
  380   2HB   ALA  43          HB2       ALA  43  -0.991  -0.917  -4.373
  381   3HB   ALA  43          HB3       ALA  43  -0.120  -0.257  -5.746
  382    H    GLU  44           H        GLU  44  -0.984  -3.535  -3.729
  383    HA   GLU  44           HA       GLU  44   0.382  -3.841  -1.170
  384   1HB   GLU  44          HB2       GLU  44  -1.923  -5.477  -2.290
  385   2HB   GLU  44          HB3       GLU  44  -1.354  -5.235  -0.645
  386   1HG   GLU  44          HG2       GLU  44  -2.834  -3.181  -2.369
  387   2HG   GLU  44          HG3       GLU  44  -3.478  -4.064  -1.025
  388    H    LYS  45           H        LYS  45  -0.116  -5.969  -4.000
  389    HA   LYS  45           HA       LYS  45   1.108  -8.302  -3.025
  390   1HB   LYS  45          HB2       LYS  45  -0.330  -7.996  -5.071
  391   2HB   LYS  45          HB3       LYS  45   1.067  -7.362  -5.883
  392   1HG   LYS  45          HG2       LYS  45   2.199  -9.502  -5.484
  393   2HG   LYS  45          HG3       LYS  45   0.755 -10.087  -4.748
  394   1HD   LYS  45          HD2       LYS  45  -0.430  -9.790  -6.855
  395   2HD   LYS  45          HD3       LYS  45   1.040  -9.236  -7.573
  396   1HE   LYS  45          HE2       LYS  45   2.066 -11.385  -6.887
  397   2HE   LYS  45          HE3       LYS  45   0.505 -11.927  -6.436
  398   1HZ   LYS  45          HZ1       LYS  45  -0.157 -11.660  -8.703
  399   2HZ   LYS  45          HZ2       LYS  45   1.052 -12.661  -8.617
  400   3HZ   LYS  45          HZ3       LYS  45   1.295 -11.172  -9.106
  401    H    GLN  46           H        GLN  46   2.621  -5.614  -4.783
  402    HA   GLN  46           HA       GLN  46   5.315  -6.622  -4.705
  403   1HB   GLN  46          HB2       GLN  46   4.109  -3.858  -4.946
  404   2HB   GLN  46          HB3       GLN  46   5.830  -4.106  -4.888
  405   1HG   GLN  46          HG2       GLN  46   4.093  -5.447  -6.951
  406   2HG   GLN  46          HG3       GLN  46   4.801  -3.877  -7.180
  407   1HE2  GLN  46          HE21      GLN  46   5.290  -6.551  -8.535
  408   2HE2  GLN  46          HE22      GLN  46   7.025  -6.683  -8.477
  409    H    ALA  47           H        ALA  47   3.451  -4.584  -2.408
  410    HA   ALA  47           HA       ALA  47   5.658  -4.010  -0.745
  411   1HB   ALA  47          HB1       ALA  47   4.044  -3.193   0.827
  412   2HB   ALA  47          HB2       ALA  47   2.736  -4.045   0.035
  413   3HB   ALA  47          HB3       ALA  47   3.550  -2.721  -0.764
  414    H    VAL  48           H        VAL  48   3.108  -6.566  -0.310
  415    HA   VAL  48           HA       VAL  48   4.296  -7.605   2.042
  416    HB   VAL  48           HB       VAL  48   3.063  -9.656   1.721
  417   1HG1  VAL  48          HG11      VAL  48   1.387  -7.226   1.116
  418   2HG1  VAL  48          HG12      VAL  48   1.961  -7.722   2.698
  419   3HG1  VAL  48          HG13      VAL  48   0.840  -8.731   1.815
  420   1HG2  VAL  48          HG21      VAL  48   2.204  -8.556  -0.946
  421   2HG2  VAL  48          HG22      VAL  48   1.548  -9.969  -0.160
  422   3HG2  VAL  48          HG23      VAL  48   3.202  -9.975  -0.690
  423    H    LYS  49           H        LYS  49   5.299  -8.174  -1.242
  424    HA   LYS  49           HA       LYS  49   7.110 -10.349  -0.498
  425   1HB   LYS  49          HB2       LYS  49   6.119 -10.307  -2.686
  426   2HB   LYS  49          HB3       LYS  49   6.823  -8.822  -3.057
  427   1HG   LYS  49          HG2       LYS  49   8.920  -9.786  -3.084
  428   2HG   LYS  49          HG3       LYS  49   8.380 -11.157  -2.404
  429   1HD   LYS  49          HD2       LYS  49   7.380 -11.730  -4.333
  430   2HD   LYS  49          HD3       LYS  49   7.719 -10.428  -4.994
  431   1HE   LYS  49          HE2       LYS  49   9.719 -10.971  -5.077
  432   2HE   LYS  49          HE3       LYS  49   9.486 -12.124  -4.334
  433   1HZ   LYS  49          HZ1       LYS  49   8.819 -13.020  -6.039
  434   2HZ   LYS  49          HZ2       LYS  49   9.878 -12.633  -6.576
  435   3HZ   LYS  49          HZ3       LYS  49   8.789 -12.053  -6.677
  436    H    VAL  50           H        VAL  50   7.559  -6.922  -1.469
  437    HA   VAL  50           HA       VAL  50  10.408  -7.080  -1.146
  438    HB   VAL  50           HB       VAL  50   8.714  -4.585  -1.250
  439   1HG1  VAL  50          HG11      VAL  50  11.656  -4.983  -1.838
  440   2HG1  VAL  50          HG12      VAL  50  11.029  -4.161  -0.444
  441   3HG1  VAL  50          HG13      VAL  50  10.771  -3.491  -2.030
  442   1HG2  VAL  50          HG21      VAL  50   9.379  -4.537  -3.615
  443   2HG2  VAL  50          HG22      VAL  50   8.416  -5.909  -3.278
  444   3HG2  VAL  50          HG23      VAL  50  10.108  -6.085  -3.449
  445    H    TYR  51           H        TYR  51   7.850  -5.873   1.110
  446    HA   TYR  51           HA       TYR  51   9.731  -5.015   3.106
  447   1HB   TYR  51          HB2       TYR  51   6.812  -5.755   3.203
  448   2HB   TYR  51          HB3       TYR  51   7.722  -5.457   4.655
  449    HD1  TYR  51           HD1      TYR  51   8.189  -3.303   5.389
  450    HD2  TYR  51           HD2      TYR  51   6.528  -3.802   1.603
  451    HE1  TYR  51           HE1      TYR  51   7.768  -0.863   5.239
  452    HE2  TYR  51           HE2      TYR  51   6.017  -1.391   1.482
  453    HH   TYR  51           HH       TYR  51   6.137   0.574   2.469
  454    H    LYS  52           H        LYS  52   8.235  -8.233   2.524
  455    HA   LYS  52           HA       LYS  52   9.362  -9.455   4.880
  456   1HB   LYS  52          HB2       LYS  52   7.448 -10.388   3.598
  457   2HB   LYS  52          HB3       LYS  52   8.520 -10.766   2.281
  458   1HG   LYS  52          HG2       LYS  52   9.806 -12.166   3.890
  459   2HG   LYS  52          HG3       LYS  52   8.600 -11.879   5.043
  460   1HD   LYS  52          HD2       LYS  52   7.032 -13.010   3.595
  461   2HD   LYS  52          HD3       LYS  52   8.268 -13.263   2.492
  462   1HE   LYS  52          HE2       LYS  52   9.437 -14.409   4.345
  463   2HE   LYS  52          HE3       LYS  52   7.958 -14.409   5.148
  464   1HZ   LYS  52          HZ1       LYS  52   8.497 -15.676   2.657
  465   2HZ   LYS  52          HZ2       LYS  52   7.076 -15.642   3.297
  466   3HZ   LYS  52          HZ3       LYS  52   8.203 -16.466   3.997
  467    H    GLU  53           H        GLU  53  10.591  -9.125   1.558
  468    HA   GLU  53           HA       GLU  53  13.033 -10.598   2.035
  469   1HB   GLU  53          HB2       GLU  53  11.899 -10.062  -0.195
  470   2HB   GLU  53          HB3       GLU  53  12.511  -8.439  -0.023
  471   1HG   GLU  53          HG2       GLU  53  14.017  -9.588  -1.422
  472   2HG   GLU  53          HG3       GLU  53  14.833  -9.432   0.094
  473    H    ALA  54           H        ALA  54  12.177  -7.124   2.260
  474    HA   ALA  54           HA       ALA  54  14.745  -6.160   2.931
  475   1HB   ALA  54          HB1       ALA  54  12.027  -5.047   3.622
  476   2HB   ALA  54          HB2       ALA  54  12.932  -4.724   2.157
  477   3HB   ALA  54          HB3       ALA  54  13.545  -4.181   3.707
  478    H    ALA  55           H        ALA  55  12.185  -7.520   5.035
  479    HA   ALA  55           HA       ALA  55  13.519  -7.045   7.508
  480   1HB   ALA  55          HB1       ALA  55  11.169  -7.764   7.336
  481   2HB   ALA  55          HB2       ALA  55  12.065  -8.797   8.343
  482   3HB   ALA  55          HB3       ALA  55  11.662  -9.287   6.770
  483    H    GLU  56           H        GLU  56  14.015  -9.606   5.091
  484    HA   GLU  56           HA       GLU  56  15.886 -11.097   6.736
  485   1HB   GLU  56          HB2       GLU  56  14.490 -12.025   4.870
  486   2HB   GLU  56          HB3       GLU  56  15.534 -11.220   3.742
  487   1HG   GLU  56          HG2       GLU  56  17.421 -12.485   4.589
  488   2HG   GLU  56          HG3       GLU  56  16.415 -13.246   5.751
  489    H    LYS  57           H        LYS  57  16.156  -8.478   4.415
  490    HA   LYS  57           HA       LYS  57  19.086  -8.406   4.417
  491   1HB   LYS  57          HB2       LYS  57  16.995  -6.508   3.339
  492   2HB   LYS  57          HB3       LYS  57  18.713  -6.335   3.092
  493   1HG   LYS  57          HG2       LYS  57  18.831  -8.400   1.871
  494   2HG   LYS  57          HG3       LYS  57  17.148  -8.745   2.174
  495   1HD   LYS  57          HD2       LYS  57  16.468  -6.811   0.922
  496   2HD   LYS  57          HD3       LYS  57  18.132  -6.341   0.679
  497   1HE   LYS  57          HE2       LYS  57  18.540  -8.374  -0.591
  498   2HE   LYS  57          HE3       LYS  57  16.896  -8.894  -0.337
  499   1HZ   LYS  57          HZ1       LYS  57  16.155  -6.996  -1.566
  500   2HZ   LYS  57          HZ2       LYS  57  17.252  -7.773  -2.486
  501   3HZ   LYS  57          HZ3       LYS  57  17.642  -6.415  -1.703
  502    H    ALA  58           H        ALA  58  16.892  -7.419   6.723
  503    HA   ALA  58           HA       ALA  58  17.854  -4.891   7.471
  504   1HB   ALA  58          HB1       ALA  58  16.662  -5.309   9.533
  505   2HB   ALA  58          HB2       ALA  58  16.526  -7.001   9.149
  506   3HB   ALA  58          HB3       ALA  58  15.700  -5.825   8.170
  507    H    ARG  59           H        ARG  59  19.487  -4.200   8.690
  508    HA   ARG  59           HA       ARG  59  21.083  -5.993  10.406
  509   1HB   ARG  59          HB2       ARG  59  22.302  -4.372   8.158
  510   2HB   ARG  59          HB3       ARG  59  23.206  -5.177   9.400
  511   1HG   ARG  59          HG2       ARG  59  21.532  -6.564   7.311
  512   2HG   ARG  59          HG3       ARG  59  23.262  -6.379   7.295
  513   1HD   ARG  59          HD2       ARG  59  23.462  -7.709   9.339
  514   2HD   ARG  59          HD3       ARG  59  21.741  -7.936   9.401
  515    HE   ARG  59           HE       ARG  59  23.655  -9.274   7.672
  516   1HH1  ARG  59          HH11      ARG  59  20.231  -8.723   8.086
  517   2HH1  ARG  59          HH12      ARG  59  19.833 -10.050   7.049
  518   1HH2  ARG  59          HH21      ARG  59  23.026 -10.731   6.165
  519   2HH2  ARG  59          HH22      ARG  59  21.371 -11.105   5.977
  520    H    ASN  60           H        ASN  60  19.407  -3.253  10.327
  521    HA   ASN  60           HA       ASN  60  20.994  -2.044  12.500
  522   1HB   ASN  60          HB2       ASN  60  21.590  -0.784  10.545
  523   2HB   ASN  60          HB3       ASN  60  19.905  -0.611  10.072
  524   1HD2  ASN  60          HD21      ASN  60  22.204   0.221  12.643
  525   2HD2  ASN  60          HD22      ASN  60  21.342   1.651  13.125
  526    HA   PRO  61           HA       PRO  61  16.920  -2.631  14.301
  527   1HB   PRO  61          HB2       PRO  61  18.023  -0.728  16.334
  528   2HB   PRO  61          HB3       PRO  61  17.129  -2.222  16.594
  529   1HG   PRO  61          HG2       PRO  61  19.782  -2.163  16.840
  530   2HG   PRO  61          HG3       PRO  61  18.995  -3.518  16.055
  531   1HD   PRO  61          HD2       PRO  61  20.438  -1.260  14.808
  532   2HD   PRO  61          HD3       PRO  61  20.410  -2.950  14.349
  533    H    GLU  62           H        GLU  62  18.150   0.711  13.914
  534    HA   GLU  62           HA       GLU  62  15.496   1.856  14.198
  535   1HB   GLU  62          HB2       GLU  62  18.212   2.959  13.610
  536   2HB   GLU  62          HB3       GLU  62  16.803   3.930  13.305
  537   1HG   GLU  62          HG2       GLU  62  16.057   3.731  15.552
  538   2HG   GLU  62          HG3       GLU  62  17.257   2.544  15.893
  539    H    LYS  63           H        LYS  63  17.549   1.096  11.369
  540    HA   LYS  63           HA       LYS  63  15.447   1.909   9.500
  541   1HB   LYS  63          HB2       LYS  63  18.096   0.503   9.195
  542   2HB   LYS  63          HB3       LYS  63  16.968   0.631   7.863
  543   1HG   LYS  63          HG2       LYS  63  16.915   3.021   8.027
  544   2HG   LYS  63          HG3       LYS  63  17.927   3.021   9.446
  545   1HD   LYS  63          HD2       LYS  63  19.841   2.372   8.228
  546   2HD   LYS  63          HD3       LYS  63  18.883   1.875   6.835
  547   1HE   LYS  63          HE2       LYS  63  20.049   3.983   6.409
  548   2HE   LYS  63          HE3       LYS  63  18.317   4.147   6.308
  549   1HZ   LYS  63          HZ1       LYS  63  18.331   5.114   8.496
  550   2HZ   LYS  63          HZ2       LYS  63  19.213   5.949   7.480
  551   3HZ   LYS  63          HZ3       LYS  63  19.949   5.016   8.572
  552    H    ARG  64           H        ARG  64  15.712  -0.746  11.501
  553    HA   ARG  64           HA       ARG  64  13.737  -2.337   9.967
  554   1HB   ARG  64          HB2       ARG  64  15.800  -3.350  11.031
  555   2HB   ARG  64          HB3       ARG  64  15.084  -3.022  12.573
  556   1HG   ARG  64          HG2       ARG  64  13.172  -4.451  11.910
  557   2HG   ARG  64          HG3       ARG  64  13.971  -4.793  10.436
  558   1HD   ARG  64          HD2       ARG  64  15.759  -5.858  11.652
  559   2HD   ARG  64          HD3       ARG  64  15.042  -5.378  13.146
  560    HE   ARG  64           HE       ARG  64  13.158  -6.878  11.702
  561   1HH1  ARG  64          HH11      ARG  64  16.065  -7.488  13.526
  562   2HH1  ARG  64          HH12      ARG  64  15.520  -9.067  13.918
  563   1HH2  ARG  64          HH21      ARG  64  12.596  -8.844  12.296
  564   2HH2  ARG  64          HH22      ARG  64  13.686  -9.835  13.188
  565    H    GLN  65           H        GLN  65  13.596   0.160  12.209
  566    HA   GLN  65           HA       GLN  65  11.860  -0.824  14.144
  567   1HB   GLN  65          HB2       GLN  65  13.347   1.147  14.240
  568   2HB   GLN  65          HB3       GLN  65  12.186   2.071  13.355
  569   1HG   GLN  65          HG2       GLN  65  10.658   1.993  15.142
  570   2HG   GLN  65          HG3       GLN  65  11.501   0.710  15.912
  571   1HE2  GLN  65          HE21      GLN  65  11.176   2.364  17.758
  572   2HE2  GLN  65          HE22      GLN  65  12.512   3.431  17.974
  573    H    VAL  66           H        VAL  66  10.858  -0.046  10.946
  574    HA   VAL  66           HA       VAL  66   8.046  -0.315  11.855
  575    HB   VAL  66           HB       VAL  66   7.215   1.300  10.358
  576   1HG1  VAL  66          HG11      VAL  66   9.496   2.588  11.829
  577   2HG1  VAL  66          HG12      VAL  66   7.971   2.118  12.537
  578   3HG1  VAL  66          HG13      VAL  66   8.019   3.347  11.301
  579   1HG2  VAL  66          HG21      VAL  66   8.926   1.060   8.558
  580   2HG2  VAL  66          HG22      VAL  66   9.960   2.058   9.480
  581   3HG2  VAL  66          HG23      VAL  66   8.466   2.660   8.904
  582    H    ILE  67           H        ILE  67  10.358  -1.621   9.731
  583    HA   ILE  67           HA       ILE  67   8.947  -2.319   7.477
  584    HB   ILE  67           HB       ILE  67  10.865  -4.096   9.000
  585   1HG1  ILE  67          HG12      ILE  67  12.044  -2.196   8.381
  586   2HG1  ILE  67          HG13      ILE  67  12.539  -3.445   7.350
  587   1HG2  ILE  67          HG21      ILE  67  11.245  -5.273   6.878
  588   2HG2  ILE  67          HG22      ILE  67   9.922  -4.414   6.195
  589   3HG2  ILE  67          HG23      ILE  67   9.663  -5.494   7.492
  590   1HD1  ILE  67          HD11      ILE  67  12.352  -1.395   6.132
  591   2HD1  ILE  67          HD12      ILE  67  10.726  -1.197   6.596
  592   3HD1  ILE  67          HD13      ILE  67  11.177  -2.474   5.576
  593    H    ASP  68           H        ASP  68   8.930  -4.371  10.419
  594    HA   ASP  68           HA       ASP  68   6.939  -6.153   9.444
  595   1HB   ASP  68          HB2       ASP  68   8.593  -6.645  11.201
  596   2HB   ASP  68          HB3       ASP  68   7.771  -5.543  12.277
  597    H    LYS  69           H        LYS  69   6.631  -3.084  11.096
  598    HA   LYS  69           HA       LYS  69   3.871  -3.402  11.975
  599   1HB   LYS  69          HB2       LYS  69   5.551  -0.892  11.686
  600   2HB   LYS  69          HB3       LYS  69   3.998  -1.009  12.494
  601   1HG   LYS  69          HG2       LYS  69   4.940  -2.517  14.184
  602   2HG   LYS  69          HG3       LYS  69   6.490  -2.507  13.351
  603   1HD   LYS  69          HD2       LYS  69   6.634  -0.062  13.697
  604   2HD   LYS  69          HD3       LYS  69   5.167  -0.134  14.663
  605   1HE   LYS  69          HE2       LYS  69   6.192  -1.319  16.380
  606   2HE   LYS  69          HE3       LYS  69   7.438  -1.952  15.338
  607   1HZ   LYS  69          HZ1       LYS  69   8.355  -0.285  16.745
  608   2HZ   LYS  69          HZ2       LYS  69   7.325   0.855  16.185
  609   3HZ   LYS  69          HZ3       LYS  69   8.436   0.171  15.228
  610    H    ILE  70           H        ILE  70   5.424  -1.754   9.225
  611    HA   ILE  70           HA       ILE  70   2.907  -0.987   8.010
  612    HB   ILE  70           HB       ILE  70   5.715  -1.172   6.880
  613   1HG1  ILE  70          HG13      ILE  70   4.021   1.225   7.646
  614   2HG1  ILE  70          HG12      ILE  70   5.275   0.561   8.643
  615   1HG2  ILE  70          HG21      ILE  70   3.120  -0.251   5.612
  616   2HG2  ILE  70          HG22      ILE  70   4.237  -1.461   5.007
  617   3HG2  ILE  70          HG23      ILE  70   4.683   0.217   4.982
  618   1HD1  ILE  70          HD11      ILE  70   6.179   2.440   7.542
  619   2HD1  ILE  70          HD12      ILE  70   5.669   1.896   6.010
  620   3HD1  ILE  70          HD13      ILE  70   6.897   1.053   6.854
  621    H    LEU  71           H        LEU  71   5.156  -3.749   7.470
  622    HA   LEU  71           HA       LEU  71   3.735  -5.058   5.457
  623   1HB   LEU  71          HB2       LEU  71   5.971  -5.624   6.201
  624   2HB   LEU  71          HB3       LEU  71   5.368  -6.143   7.751
  625    HG   LEU  71           HG       LEU  71   4.249  -8.060   6.737
  626   1HD1  LEU  71          HD11      LEU  71   5.431  -7.135   4.158
  627   2HD1  LEU  71          HD12      LEU  71   3.768  -7.199   4.503
  628   3HD1  LEU  71          HD13      LEU  71   4.661  -8.636   4.404
  629   1HD2  LEU  71          HD21      LEU  71   6.563  -8.253   7.470
  630   2HD2  LEU  71          HD22      LEU  71   7.121  -7.759   5.905
  631   3HD2  LEU  71          HD23      LEU  71   6.272  -9.266   6.100
  632    H    GLU  72           H        GLU  72   3.106  -5.203   8.969
  633    HA   GLU  72           HA       GLU  72   1.054  -7.171   8.868
  634   1HB   GLU  72          HB2       GLU  72   2.348  -6.420  10.859
  635   2HB   GLU  72          HB3       GLU  72   1.420  -4.943  10.893
  636   1HG   GLU  72          HG2       GLU  72  -0.587  -6.157  11.405
  637   2HG   GLU  72          HG3       GLU  72   0.187  -7.690  11.062
  638    H    ASP  73           H        ASP  73   0.880  -3.760   8.048
  639    HA   ASP  73           HA       ASP  73  -2.073  -3.761   7.919
  640   1HB   ASP  73          HB2       ASP  73   0.021  -1.800   6.976
  641   2HB   ASP  73          HB3       ASP  73  -1.657  -1.626   6.628
  642    H    GLU  74           H        GLU  74   0.691  -4.127   5.653
  643    HA   GLU  74           HA       GLU  74  -0.975  -4.097   3.285
  644   1HB   GLU  74          HB2       GLU  74   1.758  -5.382   3.580
  645   2HB   GLU  74          HB3       GLU  74   0.879  -4.828   2.163
  646   1HG   GLU  74          HG2       GLU  74   2.258  -3.125   4.291
  647   2HG   GLU  74          HG3       GLU  74   2.762  -3.294   2.665
  648    H    GLU  75           H        GLU  75   0.259  -6.754   5.325
  649    HA   GLU  75           HA       GLU  75  -0.955  -8.913   3.909
  650   1HB   GLU  75          HB2       GLU  75  -0.176  -8.548   6.801
  651   2HB   GLU  75          HB3       GLU  75  -0.893 -10.026   6.191
  652   1HG   GLU  75          HG2       GLU  75   0.926 -10.240   4.567
  653   2HG   GLU  75          HG3       GLU  75   1.709  -8.862   5.241
  654    H    LYS  76           H        LYS  76  -2.443  -6.497   5.874
  655    HA   LYS  76           HA       LYS  76  -4.956  -8.010   6.158
  656   1HB   LYS  76          HB2       LYS  76  -4.243  -5.179   6.939
  657   2HB   LYS  76          HB3       LYS  76  -5.828  -5.890   7.128
  658   1HG   LYS  76          HG2       LYS  76  -5.013  -7.528   8.664
  659   2HG   LYS  76          HG3       LYS  76  -3.358  -7.080   8.359
  660   1HD   LYS  76          HD2       LYS  76  -3.866  -4.804   9.287
  661   2HD   LYS  76          HD3       LYS  76  -5.429  -5.422   9.770
  662   1HE   LYS  76          HE2       LYS  76  -4.287  -7.172  11.091
  663   2HE   LYS  76          HE3       LYS  76  -2.748  -6.530  10.592
  664   1HZ   LYS  76          HZ1       LYS  76  -3.330  -4.493  11.726
  665   2HZ   LYS  76          HZ2       LYS  76  -3.330  -5.690  12.736
  666   3HZ   LYS  76          HZ3       LYS  76  -4.716  -5.095  12.210
  667    H    HIS  77           H        HIS  77  -3.773  -5.158   4.427
  668    HA   HIS  77           HA       HIS  77  -6.192  -4.684   2.990
  669   1HB   HIS  77          HB2       HIS  77  -3.260  -4.073   2.213
  670   2HB   HIS  77          HB3       HIS  77  -4.642  -3.299   1.520
  671    HD2  HIS  77           HD2      HIS  77  -5.467  -2.996   5.164
  672    HE1  HIS  77           HE1      HIS  77  -2.743   0.117   4.477
  673    HE2  HIS  77           HE2      HIS  77  -4.378  -0.924   6.138
  674    H    ILE  78           H        ILE  78  -3.468  -6.635   1.938
  675    HA   ILE  78           HA       ILE  78  -4.447  -7.078  -0.664
  676    HB   ILE  78           HB       ILE  78  -2.155  -7.505   0.246
  677   1HG1  ILE  78          HG12      ILE  78  -3.307  -9.790  -1.360
  678   2HG1  ILE  78          HG13      ILE  78  -2.951  -8.200  -1.995
  679   1HG2  ILE  78          HG21      ILE  78  -2.878  -8.859   2.211
  680   2HG2  ILE  78          HG22      ILE  78  -1.603  -9.585   1.277
  681   3HG2  ILE  78          HG23      ILE  78  -3.244 -10.185   1.127
  682   1HD1  ILE  78          HD11      ILE  78  -0.588  -8.488  -1.338
  683   2HD1  ILE  78          HD12      ILE  78  -1.132  -9.649  -2.528
  684   3HD1  ILE  78          HD13      ILE  78  -0.955 -10.132  -0.868
  685    H    GLU  79           H        GLU  79  -5.578  -8.434   2.311
  686    HA   GLU  79           HA       GLU  79  -7.204 -10.521   0.993
  687   1HB   GLU  79          HB2       GLU  79  -7.158  -9.673   3.889
  688   2HB   GLU  79          HB3       GLU  79  -7.920 -11.092   3.236
  689   1HG   GLU  79          HG2       GLU  79  -4.957 -10.544   3.419
  690   2HG   GLU  79          HG3       GLU  79  -5.878 -11.664   4.382
  691    H    TRP  80           H        TRP  80  -7.613  -7.300   2.495
  692    HA   TRP  80           HA       TRP  80 -10.472  -7.250   2.465
  693   1HB   TRP  80          HB2       TRP  80  -8.564  -4.931   2.074
  694   2HB   TRP  80          HB3       TRP  80 -10.247  -4.828   2.495
  695    HD1  TRP  80           HD1      TRP  80  -9.383  -7.357   4.782
  696    HE1  TRP  80           HE1      TRP  80  -8.619  -6.445   7.050
  697    HE3  TRP  80           HE3      TRP  80  -8.513  -2.547   3.451
  698    HZ2  TRP  80           HZ2      TRP  80  -7.699  -3.946   8.123
  699    HZ3  TRP  80           HZ3      TRP  80  -7.757  -0.891   5.132
  700    HH2  TRP  80           HH2      TRP  80  -7.312  -1.588   7.445
  701    H    LEU  81           H        LEU  81  -8.066  -6.306  -0.001
  702    HA   LEU  81           HA       LEU  81  -9.909  -5.445  -1.982
  703   1HB   LEU  81          HB2       LEU  81  -7.109  -6.575  -2.144
  704   2HB   LEU  81          HB3       LEU  81  -7.964  -6.044  -3.561
  705    HG   LEU  81           HG       LEU  81  -7.393  -4.255  -1.215
  706   1HD1  LEU  81          HD11      LEU  81  -5.650  -3.289  -2.597
  707   2HD1  LEU  81          HD12      LEU  81  -5.971  -4.427  -3.846
  708   3HD1  LEU  81          HD13      LEU  81  -5.346  -4.967  -2.332
  709   1HD2  LEU  81          HD21      LEU  81  -9.230  -3.480  -2.555
  710   2HD2  LEU  81          HD22      LEU  81  -8.305  -3.595  -3.948
  711   3HD2  LEU  81          HD23      LEU  81  -7.906  -2.486  -2.768
  712    H    LYS  82           H        LYS  82  -8.935  -8.739  -1.169
  713    HA   LYS  82           HA       LYS  82 -10.172 -10.006  -3.477
  714   1HB   LYS  82          HB2       LYS  82  -9.638 -11.152  -0.716
  715   2HB   LYS  82          HB3       LYS  82 -10.105 -12.066  -2.133
  716   1HG   LYS  82          HG2       LYS  82  -8.024 -11.560  -3.251
  717   2HG   LYS  82          HG3       LYS  82  -7.577 -10.428  -1.980
  718   1HD   LYS  82          HD2       LYS  82  -7.659 -12.314  -0.339
  719   2HD   LYS  82          HD3       LYS  82  -7.892 -13.419  -1.683
  720   1HE   LYS  82          HE2       LYS  82  -5.733 -12.750  -2.621
  721   2HE   LYS  82          HE3       LYS  82  -5.541 -11.542  -1.377
  722   1HZ   LYS  82          HZ1       LYS  82  -5.517 -13.301   0.241
  723   2HZ   LYS  82          HZ2       LYS  82  -4.326 -13.489  -0.795
  724   3HZ   LYS  82          HZ3       LYS  82  -5.621 -14.412  -0.903
  725    H    ALA  83           H        ALA  83 -11.278  -9.491  -0.111
  726    HA   ALA  83           HA       ALA  83 -13.894 -10.517  -0.430
  727   1HB   ALA  83          HB1       ALA  83 -12.864  -8.383   1.440
  728   2HB   ALA  83          HB2       ALA  83 -12.891 -10.085   1.733
  729   3HB   ALA  83          HB3       ALA  83 -14.374  -9.219   1.594
  730    H    ALA  84           H        ALA  84 -12.793  -7.119  -0.720
  731    HA   ALA  84           HA       ALA  84 -15.227  -5.996  -1.551
  732   1HB   ALA  84          HB1       ALA  84 -13.837  -4.150  -2.288
  733   2HB   ALA  84          HB2       ALA  84 -12.419  -5.152  -2.218
  734   3HB   ALA  84          HB3       ALA  84 -13.274  -4.759  -0.755
  735    H    SER  85           H        SER  85 -13.122  -7.983  -3.398
  736    HA   SER  85           HA       SER  85 -14.319  -7.202  -5.980
  737   1HB   SER  85          HB2       SER  85 -11.998  -9.041  -5.410
  738   2HB   SER  85          HB3       SER  85 -12.530  -8.471  -6.981
  739    HG   SER  85           HG       SER  85 -11.350  -7.056  -4.872
  740    H    LYS  86           H        LYS  86 -14.961  -9.530  -3.646
  741    HA   LYS  86           HA       LYS  86 -16.261 -11.283  -5.683
  742   1HB   LYS  86          HB2       LYS  86 -15.400 -13.213  -4.770
  743   2HB   LYS  86          HB3       LYS  86 -14.039 -12.130  -4.841
  744   1HG   LYS  86          HG2       LYS  86 -14.508 -11.643  -2.378
  745   2HG   LYS  86          HG3       LYS  86 -15.633 -12.965  -2.428
  746   1HD   LYS  86          HD2       LYS  86 -13.784 -14.426  -3.182
  747   2HD   LYS  86          HD3       LYS  86 -12.705 -13.161  -3.015
  748   1HE   LYS  86          HE2       LYS  86 -13.084 -13.066  -0.781
  749   2HE   LYS  86          HE3       LYS  86 -14.367 -14.059  -0.898
  750   1HZ   LYS  86          HZ1       LYS  86 -12.857 -15.765  -1.436
  751   2HZ   LYS  86          HZ2       LYS  86 -12.543 -15.260  -0.070
  752   3HZ   LYS  86          HZ3       LYS  86 -11.689 -14.880  -1.209
  753    H    GLN  87           H        GLN  87 -16.856  -9.574  -2.825
  754    HA   GLN  87           HA       GLN  87 -18.997 -11.176  -1.812
  755   1HB   GLN  87          HB2       GLN  87 -19.676  -9.246  -0.587
  756   2HB   GLN  87          HB3       GLN  87 -17.954  -9.462  -0.471
  757   1HG   GLN  87          HG2       GLN  87 -17.567  -7.586  -1.970
  758   2HG   GLN  87          HG3       GLN  87 -19.261  -7.475  -2.321
  759   1HE2  GLN  87          HE21      GLN  87 -18.989  -5.226  -1.646
  760   2HE2  GLN  87          HE22      GLN  87 -19.138  -4.873   0.049
  761    H    GLY  88           H        GLY  88 -18.852  -9.382  -4.694
  762   1HA   GLY  88          HA2       GLY  88 -20.366  -9.368  -6.420
  763   2HA   GLY  88          HA3       GLY  88 -21.572 -10.086  -5.398
  764    H    ASN  89           H        ASN  89 -19.918  -7.171  -4.442
  765    HA   ASN  89           HA       ASN  89 -22.165  -5.409  -5.036
  766   1HB   ASN  89          HB2       ASN  89 -22.873  -6.723  -3.061
  767   2HB   ASN  89          HB3       ASN  89 -21.442  -6.237  -2.206
  768   1HD2  ASN  89          HD21      ASN  89 -24.606  -5.333  -3.113
  769   2HD2  ASN  89          HD22      ASN  89 -24.600  -3.792  -2.333
  770    H    ALA  90           H        ALA  90 -21.629  -3.265  -4.903
  771    HA   ALA  90           HA       ALA  90 -19.047  -2.412  -3.783
  772   1HB   ALA  90          HB1       ALA  90 -19.901  -1.905  -6.627
  773   2HB   ALA  90          HB2       ALA  90 -18.642  -2.987  -6.130
  774   3HB   ALA  90          HB3       ALA  90 -18.474  -1.289  -5.866
  775    H    GLU  91           H        GLU  91 -21.945  -1.999  -3.076
  776    HA   GLU  91           HA       GLU  91 -22.921   0.526  -3.545
  777   1HB   GLU  91          HB2       GLU  91 -23.974  -1.351  -2.253
  778   2HB   GLU  91          HB3       GLU  91 -22.964  -0.925  -0.893
  779   1HG   GLU  91          HG2       GLU  91 -24.060   1.440  -1.114
  780   2HG   GLU  91          HG3       GLU  91 -25.218   0.643  -2.134
  781    H    GLN  92           H        GLN  92 -20.357  -0.293  -1.272
  782    HA   GLN  92           HA       GLN  92 -19.973   2.570  -0.544
  783   1HB   GLN  92          HB2       GLN  92 -19.802   0.189   1.292
  784   2HB   GLN  92          HB3       GLN  92 -19.544   1.840   1.725
  785   1HG   GLN  92          HG2       GLN  92 -21.871   2.305   1.093
  786   2HG   GLN  92          HG3       GLN  92 -22.110   0.652   0.832
  787   1HE2  GLN  92          HE21      GLN  92 -23.877   1.028   2.357
  788   2HE2  GLN  92          HE22      GLN  92 -23.474   0.942   4.043
  789    H    PHE  93           H        PHE  93 -18.555   0.761  -2.522
  790    HA   PHE  93           HA       PHE  93 -16.058  -0.094  -1.597
  791   1HB   PHE  93          HB2       PHE  93 -17.003  -0.837  -3.664
  792   2HB   PHE  93          HB3       PHE  93 -17.030   0.774  -4.313
  793    HD1  PHE  93           HD1      PHE  93 -15.417   1.248  -5.888
  794    HD2  PHE  93           HD2      PHE  93 -14.526  -1.600  -2.881
  795    HE1  PHE  93           HE1      PHE  93 -13.207   0.871  -6.907
  796    HE2  PHE  93           HE2      PHE  93 -12.321  -1.977  -3.911
  797    HZ   PHE  93           HZ       PHE  93 -11.657  -0.736  -5.913
  798    H    ALA  94           H        ALA  94 -16.806   3.115  -3.062
  799    HA   ALA  94           HA       ALA  94 -14.219   4.153  -3.065
  800   1HB   ALA  94          HB1       ALA  94 -15.330   6.349  -3.074
  801   2HB   ALA  94          HB2       ALA  94 -16.835   5.606  -2.582
  802   3HB   ALA  94          HB3       ALA  94 -16.133   5.222  -4.144
  803    H    SER  95           H        SER  95 -16.393   3.855  -0.268
  804    HA   SER  95           HA       SER  95 -14.903   5.543   1.511
  805   1HB   SER  95          HB2       SER  95 -16.675   3.184   2.194
  806   2HB   SER  95          HB3       SER  95 -16.139   4.447   3.287
  807    HG   SER  95           HG       SER  95 -18.176   4.891   2.492
  808    H    LEU  96           H        LEU  96 -14.684   2.056   0.758
  809    HA   LEU  96           HA       LEU  96 -12.572   1.498   2.642
  810   1HB   LEU  96          HB2       LEU  96 -14.096  -0.240   1.808
  811   2HB   LEU  96          HB3       LEU  96 -13.508  -0.001   0.186
  812    HG   LEU  96           HG       LEU  96 -11.265  -0.788   0.905
  813   1HD1  LEU  96          HD11      LEU  96 -12.629  -1.398   3.491
  814   2HD1  LEU  96          HD12      LEU  96 -11.307  -0.304   3.267
  815   3HD1  LEU  96          HD13      LEU  96 -11.069  -2.004   3.033
  816   1HD2  LEU  96          HD21      LEU  96 -11.861  -3.131   1.084
  817   2HD2  LEU  96          HD22      LEU  96 -12.864  -2.301  -0.074
  818   3HD2  LEU  96          HD23      LEU  96 -13.494  -2.683   1.491
  819    H    VAL  97           H        VAL  97 -12.630   2.276  -0.854
  820    HA   VAL  97           HA       VAL  97  -9.844   2.098  -1.370
  821    HB   VAL  97           HB       VAL  97 -11.931   3.946  -2.550
  822   1HG1  VAL  97          HG11      VAL  97 -10.465   4.266  -4.442
  823   2HG1  VAL  97          HG12      VAL  97  -9.213   3.338  -3.678
  824   3HG1  VAL  97          HG13      VAL  97  -9.693   4.880  -3.014
  825   1HG2  VAL  97          HG21      VAL  97 -12.293   1.525  -2.951
  826   2HG2  VAL  97          HG22      VAL  97 -10.714   1.405  -3.637
  827   3HG2  VAL  97          HG23      VAL  97 -11.931   2.376  -4.405
  828    H    GLN  98           H        GLN  98 -11.705   4.910  -0.136
  829    HA   GLN  98           HA       GLN  98  -9.387   6.543   0.271
  830   1HB   GLN  98          HB2       GLN  98 -11.718   7.353   0.012
  831   2HB   GLN  98          HB3       GLN  98 -12.093   6.739   1.603
  832   1HG   GLN  98          HG2       GLN  98 -10.475   8.246   2.573
  833   2HG   GLN  98          HG3       GLN  98  -9.952   8.761   1.028
  834   1HE2  GLN  98          HE21      GLN  98 -10.461  10.907   2.303
  835   2HE2  GLN  98          HE22      GLN  98 -12.100  11.452   2.129
  836    H    GLN  99           H        GLN  99 -11.067   4.241   2.426
  837    HA   GLN  99           HA       GLN  99  -9.654   4.877   4.807
  838   1HB   GLN  99          HB2       GLN  99 -11.758   3.567   4.599
  839   2HB   GLN  99          HB3       GLN  99 -10.856   2.241   3.967
  840   1HG   GLN  99          HG2       GLN  99  -9.768   1.954   6.033
  841   2HG   GLN  99          HG3       GLN  99 -10.405   3.416   6.631
  842   1HE2  GLN  99          HE21      GLN  99 -11.319   2.262   8.431
  843   2HE2  GLN  99          HE22      GLN  99 -12.749   1.312   8.198
  844    H    ILE 100           H        ILE 100  -8.768   2.724   2.106
  845    HA   ILE 100           HA       ILE 100  -6.286   1.873   3.418
  846    HB   ILE 100           HB       ILE 100  -7.150   1.554   0.529
  847   1HG1  ILE 100          HG13      ILE 100  -7.054  -0.579   2.691
  848   2HG1  ILE 100          HG12      ILE 100  -8.517   0.310   2.354
  849   1HG2  ILE 100          HG21      ILE 100  -4.747   1.415   0.647
  850   2HG2  ILE 100          HG22      ILE 100  -5.281  -0.229   0.640
  851   3HG2  ILE 100          HG23      ILE 100  -4.796   0.506   2.132
  852   1HD1  ILE 100          HD11      ILE 100  -8.609  -1.768   1.164
  853   2HD1  ILE 100          HD12      ILE 100  -7.084  -1.480   0.395
  854   3HD1  ILE 100          HD13      ILE 100  -8.456  -0.480   0.008
  855    H    LEU 101           H        LEU 101  -7.113   4.262   0.833
  856    HA   LEU 101           HA       LEU 101  -4.586   5.285   0.264
  857   1HB   LEU 101          HB2       LEU 101  -6.842   5.827  -0.720
  858   2HB   LEU 101          HB3       LEU 101  -7.136   6.885   0.626
  859    HG   LEU 101           HG       LEU 101  -4.981   7.252  -1.451
  860   1HD1  LEU 101          HD11      LEU 101  -7.590   8.696  -1.040
  861   2HD1  LEU 101          HD12      LEU 101  -7.288   7.538  -2.290
  862   3HD1  LEU 101          HD13      LEU 101  -6.431   9.033  -2.272
  863   1HD2  LEU 101          HD21      LEU 101  -4.884   9.577  -0.572
  864   2HD2  LEU 101          HD22      LEU 101  -4.238   8.374   0.501
  865   3HD2  LEU 101          HD23      LEU 101  -5.823   9.041   0.802
  866    H    GLN 102           H        GLN 102  -6.743   6.357   2.905
  867    HA   GLN 102           HA       GLN 102  -4.989   8.172   4.189
  868   1HB   GLN 102          HB2       GLN 102  -7.327   6.516   5.142
  869   2HB   GLN 102          HB3       GLN 102  -6.516   7.683   6.168
  870   1HG   GLN 102          HG2       GLN 102  -7.082   9.510   4.711
  871   2HG   GLN 102          HG3       GLN 102  -7.755   8.440   3.512
  872   1HE2  GLN 102          HE21      GLN 102  -9.385  10.393   4.311
  873   2HE2  GLN 102          HE22      GLN 102 -10.624   9.749   5.356
  874    H    ASP 103           H        ASP 103  -4.861   4.690   4.261
  875    HA   ASP 103           HA       ASP 103  -3.265   4.588   6.730
  876   1HB   ASP 103          HB2       ASP 103  -4.987   2.856   6.028
  877   2HB   ASP 103          HB3       ASP 103  -3.855   2.335   4.812
  878    H    GLU 104           H        GLU 104  -2.820   4.275   3.218
  879    HA   GLU 104           HA       GLU 104   0.044   3.837   3.281
  880   1HB   GLU 104          HB2       GLU 104  -1.606   5.180   1.104
  881   2HB   GLU 104          HB3       GLU 104  -0.003   4.440   1.072
  882   1HG   GLU 104          HG2       GLU 104  -2.699   2.988   1.264
  883   2HG   GLU 104          HG3       GLU 104  -1.607   2.986  -0.075
  884    H    GLN 105           H        GLN 105  -1.990   6.784   3.194
  885    HA   GLN 105           HA       GLN 105   0.077   8.724   3.296
  886   1HB   GLN 105          HB2       GLN 105  -2.789   8.720   4.188
  887   2HB   GLN 105          HB3       GLN 105  -1.781  10.075   4.504
  888   1HG   GLN 105          HG2       GLN 105  -1.271  10.254   2.114
  889   2HG   GLN 105          HG3       GLN 105  -2.443   9.025   1.797
  890   1HE2  GLN 105          HE21      GLN 105  -2.279  12.146   1.385
  891   2HE2  GLN 105          HE22      GLN 105  -3.780  12.708   2.043
  892    H    ARG 106           H        ARG 106  -0.544   6.461   5.779
  893    HA   ARG 106           HA       ARG 106   1.052   8.171   7.660
  894   1HB   ARG 106          HB2       ARG 106  -0.379   5.666   8.428
  895   2HB   ARG 106          HB3       ARG 106   0.403   6.810   9.462
  896   1HG   ARG 106          HG2       ARG 106  -2.210   7.050   8.024
  897   2HG   ARG 106          HG3       ARG 106  -1.923   7.056   9.734
  898   1HD   ARG 106          HD2       ARG 106  -1.317   9.266   7.776
  899   2HD   ARG 106          HD3       ARG 106  -2.542   9.240   8.998
  900    HE   ARG 106           HE       ARG 106  -0.755   9.223  10.692
  901   1HH1  ARG 106          HH11      ARG 106   0.235  10.429   7.602
  902   2HH1  ARG 106          HH12      ARG 106   1.468  11.379   8.334
  903   1HH2  ARG 106          HH21      ARG 106   0.837  10.518  11.446
  904   2HH2  ARG 106          HH22      ARG 106   1.857  11.355  10.344
  905    H    HIS 107           H        HIS 107   1.001   5.068   5.973
  906    HA   HIS 107           HA       HIS 107   3.552   4.166   6.999
  907   1HB   HIS 107          HB2       HIS 107   2.256   3.859   4.187
  908   2HB   HIS 107          HB3       HIS 107   3.613   2.959   4.738
  909    HD2  HIS 107           HD2      HIS 107   1.664   2.507   7.806
  910    HE1  HIS 107           HE1      HIS 107  -0.240  -0.122   5.138
  911    HE2  HIS 107           HE2      HIS 107   0.022   0.575   7.582
  912    H    VAL 108           H        VAL 108   2.908   6.350   4.297
  913    HA   VAL 108           HA       VAL 108   5.578   6.636   3.446
  914    HB   VAL 108           HB       VAL 108   3.460   7.368   2.326
  915   1HG1  VAL 108          HG11      VAL 108   3.760   9.847   3.927
  916   2HG1  VAL 108          HG12      VAL 108   2.516   8.682   4.121
  917   3HG1  VAL 108          HG13      VAL 108   2.619   9.585   2.653
  918   1HG2  VAL 108          HG21      VAL 108   5.603   9.389   2.325
  919   2HG2  VAL 108          HG22      VAL 108   4.414   9.139   1.088
  920   3HG2  VAL 108          HG23      VAL 108   5.597   7.925   1.443
  921    H    GLU 109           H        GLU 109   4.208   7.808   6.375
  922    HA   GLU 109           HA       GLU 109   6.385   9.772   6.838
  923   1HB   GLU 109          HB2       GLU 109   3.944  10.293   7.340
  924   2HB   GLU 109          HB3       GLU 109   4.036   9.107   8.623
  925   1HG   GLU 109          HG2       GLU 109   5.998  10.434   9.548
  926   2HG   GLU 109          HG3       GLU 109   5.626  11.656   8.349
  927    H    GLU 110           H        GLU 110   5.043   6.723   8.113
  928    HA   GLU 110           HA       GLU 110   6.970   6.340  10.200
  929   1HB   GLU 110          HB2       GLU 110   5.213   4.416   8.637
  930   2HB   GLU 110          HB3       GLU 110   6.202   3.921   9.987
  931   1HG   GLU 110          HG2       GLU 110   3.910   5.893  10.082
  932   2HG   GLU 110          HG3       GLU 110   3.900   4.260  10.690
  933    H    ILE 111           H        ILE 111   6.949   5.150   6.798
  934    HA   ILE 111           HA       ILE 111   9.410   3.747   7.050
  935    HB   ILE 111           HB       ILE 111   7.566   3.470   5.313
  936   1HG1  ILE 111          HG13      ILE 111   9.030   2.718   3.525
  937   2HG1  ILE 111          HG12      ILE 111  10.397   3.505   4.268
  938   1HG2  ILE 111          HG21      ILE 111   9.084   5.575   3.771
  939   2HG2  ILE 111          HG22      ILE 111   7.569   5.879   4.596
  940   3HG2  ILE 111          HG23      ILE 111   7.625   4.708   3.302
  941   1HD1  ILE 111          HD11      ILE 111  10.240   1.978   6.173
  942   2HD1  ILE 111          HD12      ILE 111  10.295   1.068   4.694
  943   3HD1  ILE 111          HD13      ILE 111   8.781   1.284   5.511
  944    H    GLU 112           H        GLU 112   8.792   7.091   6.515
  945    HA   GLU 112           HA       GLU 112  11.452   7.852   5.606
  946   1HB   GLU 112          HB2       GLU 112   9.377   8.968   4.928
  947   2HB   GLU 112          HB3       GLU 112   9.049   9.394   6.581
  948   1HG   GLU 112          HG2       GLU 112  11.130  10.800   6.552
  949   2HG   GLU 112          HG3       GLU 112  11.310  10.417   4.850
  950    H    LYS 113           H        LYS 113   9.949   7.425   8.716
  951    HA   LYS 113           HA       LYS 113  11.077   9.300  10.356
  952   1HB   LYS 113          HB2       LYS 113   9.316   7.692  10.883
  953   2HB   LYS 113          HB3       LYS 113  10.486   6.409  10.974
  954   1HG   LYS 113          HG2       LYS 113  11.521   7.431  12.915
  955   2HG   LYS 113          HG3       LYS 113  10.399   8.765  12.840
  956   1HD   LYS 113          HD2       LYS 113   9.498   5.886  13.094
  957   2HD   LYS 113          HD3       LYS 113   9.881   6.854  14.478
  958   1HE   LYS 113          HE2       LYS 113   8.189   8.425  13.953
  959   2HE   LYS 113          HE3       LYS 113   7.836   7.657  12.464
  960   1HZ   LYS 113          HZ1       LYS 113   7.481   6.270  15.009
  961   2HZ   LYS 113          HZ2       LYS 113   6.877   5.877  13.559
  962   3HZ   LYS 113          HZ3       LYS 113   6.321   7.140  14.317
  963    H    LYS 114           H        LYS 114  12.773   6.401   9.372
  964    HA   LYS 114           HA       LYS 114  15.274   7.317  10.730
  965   1HB   LYS 114          HB2       LYS 114  14.211   4.506  10.410
  966   2HB   LYS 114          HB3       LYS 114  15.734   4.912  11.147
  967   1HG   LYS 114          HG2       LYS 114  13.024   5.697  12.259
  968   2HG   LYS 114          HG3       LYS 114  13.997   4.375  12.796
  969   1HD   LYS 114          HD2       LYS 114  15.821   6.029  13.321
  970   2HD   LYS 114          HD3       LYS 114  14.654   7.276  13.066
  971   1HE   LYS 114          HE2       LYS 114  13.277   6.427  14.819
  972   2HE   LYS 114          HE3       LYS 114  14.260   5.016  14.963
  973   1HZ   LYS 114          HZ1       LYS 114  15.146   7.703  15.625
  974   2HZ   LYS 114          HZ2       LYS 114  16.066   6.424  15.697
  975   3HZ   LYS 114          HZ3       LYS 114  14.839   6.551  16.675
  976    H    ASN 115           H        ASN 115  14.410   7.729   7.974
  977    HA   ASN 115           HA       ASN 115  15.466   6.273   5.943
  978   1HB   ASN 115          HB2       ASN 115  14.098   8.289   5.813
  979   2HB   ASN 115          HB3       ASN 115  15.454   9.247   6.244
  980   1HD2  ASN 115          HD21      ASN 115  14.011   7.386   3.690
  981   2HD2  ASN 115          HD22      ASN 115  14.971   8.114   2.454
  982   1H    HOH 118          H1        WAT 118   0.770   0.128  -0.338
  983   2H    HOH 118          H2        WAT 118   0.829  -1.048  -1.089
  984   1H    HOH 119          H1        WAT 119   4.184   0.373  -0.466
  985   2H    HOH 119          H2        WAT 119   2.895   0.075  -1.220