*HEADER   SERINE PROTEASE INHIBITOR (RCMTI-V)     26-OCT-95   1MIT    
*TITLE    RECOMBINANT CUCURBITA MAXIMA TRYPSIN INHIBITOR V (RCMTI-V)  
*TITLE   2 (NMR, MINIMIZED AVERAGE STRUCTURE)                         
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: TRYPSIN INHIBITOR V;                             
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: RCMTI-V;                                          
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: CUCURBITA MAXIMA;                     
*SOURCE  3 ORGANISM_COMMON: PUMPKIN;                                  
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI                        
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   M.CAI,Y.GONG,Y.HUANG,J.LIU,O.PRAKASH,L.WEN,J.J.WEN,         
*AUTHOR  2 J.-K.HUANG,R.KRISHNAMOORTHI                                
*REVDAT  1   03-APR-96 1MIT    0                                      

Distance constraints:
======================================================================
                                                                              
                                           
assign (resid 3  and name HN  ) (resid 3  and name HA  ) 3.00  1.00  0.50
assign (resid 3  and name HN  ) (resid 3  and name Hb1 ) 3.00  1.00  2.00 
assign (resid 3  and name HN  ) (resid 3  and name Hb2 ) 3.00  1.00  0.00
assign (resid 3  and name Ha  ) (resid 3  and name Hb1 ) 3.00  1.00  0.50 
assign (resid 3  and name Ha  ) (resid 3  and name Hb2 ) 3.00  1.00  5.00
      
assign (resid 4  and name Ha  ) (resid 4  and name Hb1 ) 3.00  1.00  0.00     
assign (resid 4  and name Ha  ) (resid 4  and name Hb2 ) 2.50  0.50  2.50 
       
assign (resid 6  and name HN  ) (resid 6  and name HB1 ) 2.00  0.00  3.00     
ASSIGN (RESID 6  AND NAME HN  ) (RESID 6  AND NAME HB2 ) 2.50  2.50  0.50     
ASSIGN (RESID 6  AND NAME HN  ) (RESID 6  AND NAME HA  ) 3.00  1.00  0.50
assign (resid 6  and name HN  ) (resid 6  and name Hg2 ) 2.00  0.00  3.00                                                       
     
ASSIGN (RESID 6  AND NAME HA  ) (RESID 6  AND NAME HB1 ) 3.00  1.00  0.00     
ASSIGN (RESID 6  AND NAME HA  ) (RESID 6  AND NAME HB2 ) 2.50  2.50  0.50
ASSIGN (RESID 6  AND NAME HA  ) (RESID 6  AND NAME HG1 ) 2.00  0.00  2.00   
assign (resid 6  and name HA  ) (resid 6  and name HG2 ) 2.00  0.00  3.00 

ASSIGN (RESID 7  AND NAME HA  ) (RESID 7  AND NAME HB1 ) 3.00  1.00  0.00     
ASSIGN (RESID 7  AND NAME HA  ) (RESID 7  AND NAME HB2 ) 2.50  2.50  0.50
ASSIGN (RESID 7  AND NAME HN  ) (RESID 7  AND NAME HB1 ) 2.00  0.00  3.00     
ASSIGN (RESID 7  AND NAME HN  ) (RESID 7  AND NAME HB2 ) 2.00  0.00  3.00

ASSIGN (RESID 8  AND NAME HN  ) (RESID 8  AND NAME Ha  ) 3.00  1.00  0.50          
ASSIGN (RESID 8  AND NAME HN  ) (RESID 8  AND NAME HB2 ) 3.00  1.00  2.00     
ASSIGN (RESID 8  AND NAME HN  ) (RESID 8  AND NAME HB1 ) 3.00  1.00  2.00     
ASSIGN (RESID 8  AND NAME HA  ) (RESID 8  AND NAME HB2 ) 2.50  1.00  0.00     
ASSIGN (RESID 8  AND NAME HA  ) (RESID 8  AND NAME HB1 ) 2.50  1.00  0.00
     
ASSIGN (RESID 9  AND NAME HN  ) (RESID 9  AND NAME HB2 ) 2.50  1.50  1.50     
ASSIGN (RESID 9  AND NAME HN  ) (RESID 9  AND NAME HB1 ) 3.00  1.00  2.00
ASSIGN (RESID 9  AND NAME HN  ) (RESID 9  AND NAME Ha  ) 3.50  1.50  1.50          
assign (resid 9  and name HA  ) (resid 9  and name HB1 ) 3.00  1.00  0.00     
assign (resid 9  and name HA  ) (resid 9  and name HB2 ) 4.00  2.00  0.00
     
assign (resid 10 and name HA  ) (resid 10 and name Hb1 ) 2.50  0.50  0.00
assign (resid 10 and name HA  ) (resid 10 and name Hb2 ) 4.00  2.00  0.00


ASSIGN (RESID 11 AND NAME HN  ) (RESID 11 AND NAME HA  ) 2.00  0.00  3.00      
ASSIGN (RESID 11 AND NAME HN  ) (RESID 11 AND NAME CB  ) 2.00  0.00  4.00          
assign (resid 11 and name HA  ) (resid 11 and name CB  ) 2.00  0.00  4.00
assign (resid 12 and name Hn  ) (resid 12 and name HB1 ) 2.00  0.00  2.00                                          
     
assign (resid 13 and name HN  ) (resid 13 and name HA  ) 3.00  1.00  1.00     
assign (resid 13 and name HN  ) (resid 13 and name HB  ) 2.00  0.00  1.00     
assign (resid 13 and name HN  ) (resid 13 and name Hg1*) 2.50  1.50  2.00
assign (resid 13 and name HN  ) (resid 13 and name Hg2*) 2.50  1.50  4.00
assign (resid 13 and name Ha  ) (resid 13 and name HB  ) 3.00  1.00  0.50     
assign (resid 13 and name Ha  ) (resid 13 and name Hg1*) 2.50  1.50  2.00
assign (resid 13 and name Ha  ) (resid 13 and name Hg2*) 2.50  1.50  2.00

assign (resid 15  and name HN ) (resid 15  and name HA  ) 3.00  1.00  0.00     
ASSIGN (RESID 15  AND NAME HN ) (RESID 15  AND NAME HB  ) 3.00  1.00  1.00
ASSIGN (RESID 15  AND NAME Ha ) (RESID 15  AND NAME HB  ) 3.00  1.00  0.00
    
assign (resid 16  and name HN ) (resid 16  and name Ha1 ) 2.50  0.50  1.50     
assign (resid 16  and name HN ) (resid 16  and name Ha2 ) 2.50  0.50  1.50     
assign (resid 17  and name HN ) (resid 17  and name HA1 ) 2.50  0.50  1.00     
assign (resid 17  and name HN ) (resid 17  and name Ha2 ) 2.50  0.50  1.00     
     
ASSIGN (RESID 18  AND NAME HN ) (RESID 18  AND NAME Ha  ) 2.50  0.50  0.50
ASSIGN (RESID 18  AND NAME HN ) (RESID 18  AND NAME HB1 ) 3.00  1.00  0.50     
ASSIGN (RESID 18  AND NAME HN ) (RESID 18  AND NAME HB2 ) 3.00  1.00  0.50 
ASSIGN (RESID 18  AND NAME Ha ) (RESID 18  AND NAME HB1 ) 2.00  0.00  0.50     
     
assign (resid 19  and name HN ) (resid 19  and name HA  ) 3.00  1.00  0.00     
ASSIGN (RESID 19  AND NAME HN ) (RESID 19  AND NAME HB  ) 2.50  0.50  0.50
ASSIGN (RESID 19  AND NAME HN ) (RESID 19  AND NAME Hg1*) 4.00  2.00  1.50     
assign (resid 19  and name Hn ) (resid 19  and name Hg2*) 3.50  1.50  3.00
ASSIGN (RESID 19  AND NAME Ha ) (RESID 19  AND NAME HB  ) 3.00  1.00  2.00
ASSIGN (RESID 19  AND NAME Ha ) (RESID 19  AND NAME Hg1*) 4.00  2.00  0.50     
assign (resid 19  and name Ha ) (resid 19  and name Hg2*) 3.50  1.50  1.00
     
assign (resid 20  and name HN ) (resid 20  and name HA  ) 3.50  1.50  0.00     
ASSIGN (RESID 20  AND NAME HN ) (RESID 20  AND NAME HB* ) 3.50  1.50  1.00
     
ASSIGN (RESID 21  AND NAME Hn ) (RESID 21  AND NAME Ha  ) 2.50  0.50  0.50     
ASSIGN (RESID 21  AND NAME Hn ) (RESID 21  AND NAME HB1 ) 2.50  0.50  0.00
ASSIGN (RESID 21  AND NAME Hn ) (RESID 21  AND NAME HB2 ) 2.50  0.50  0.50     
ASSIGN (RESID 21  AND NAME Ha ) (RESID 21  AND NAME HB1 ) 2.50  0.50  2.50
ASSIGN (RESID 21  AND NAME Ha ) (RESID 21  AND NAME HB2 ) 2.50  0.50  1.50     
ASSIGN (RESID 21  AND NAME Ha ) (RESID 21  AND NAME cg  ) 3.50  1.50  1.50

ASSIGN (RESID 21  AND NAME HE1) (RESID 21  AND NAME HD1 ) 2.00  0.00  3.00     
ASSIGN (RESID 21  AND NAME HE1) (RESID 21  AND NAME HD2 ) 2.00  0.00  2.00 
ASSIGN (RESID 21  AND NAME HE1) (RESID 21  AND NAME HG2 ) 2.00  0.00  3.00
ASSIGN (RESID 21  AND NAME HE2) (RESID 21  AND NAME HD1 ) 2.00  0.00  2.00     
ASSIGN (RESID 21  AND NAME HE2) (RESID 21  AND NAME HD2 ) 2.00  0.00  3.00
ASSIGN (RESID 21  AND NAME HE2) (RESID 21  AND NAME HG1 ) 2.00  0.00  2.00         
ASSIGN (RESID 22  AND NAME HN ) (RESID 22  AND NAME Ha  ) 3.00  1.00  0.00     
assign (resid 22  and name HN ) (resid 22  and name Hb* ) 3.50  1.50  1.00

assign (resid 23  and name HN ) (resid 23  and name HA  ) 3.00  1.00  0.00     
ASSIGN (RESID 23  AND NAME HN ) (RESID 23  AND NAME HB  ) 2.50  0.50  0.00
ASSIGN (RESID 23  AND NAME HN ) (RESID 23  AND NAME Hg11) 4.00  2.00  1.00     
assign (resid 23  and name Hn ) (resid 23  and name Hg12) 2.50  0.50  0.00
ASSIGN (RESID 23  AND NAME HN ) (RESID 23  AND NAME Hg2*) 4.00  2.00  2.50     
assign (resid 23  and name Hn ) (resid 23  and name Hd* ) 2.50  0.50  4.00
ASSIGN (RESID 23  AND NAME Ha ) (RESID 23  AND NAME HB  ) 3.00  1.00  1.00
ASSIGN (RESID 23  AND NAME Ha ) (RESID 23  AND NAME Hg11) 4.00  2.00  0.00     
assign (resid 23  and name Ha ) (resid 23  and name Hg12) 3.50  1.50  1.50
ASSIGN (RESID 23  AND NAME Ha ) (RESID 23  AND NAME Hg2*) 4.00  2.00  0.00     
assign (resid 23  and name Ha ) (resid 23  and name Hd* ) 2.50  0.50  4.00

assign (resid 24  and name HN ) (resid 24  and name HA  ) 3.00  1.00  0.00     
ASSIGN (RESID 24  AND NAME HN ) (RESID 24  AND NAME HB  ) 2.50  0.50  0.00
ASSIGN (RESID 24  AND NAME HN ) (RESID 24  AND NAME Hg11) 4.00  2.00  1.00     
assign (resid 24  and name Hn ) (resid 24  and name Hg12) 2.50  0.50  2.50
ASSIGN (RESID 24  AND NAME Ha ) (RESID 24  AND NAME Hg11) 3.00  1.00  0.00     
assign (resid 24  and name Ha ) (resid 24  and name Hg12) 3.50  1.50  1.50
ASSIGN (RESID 24  AND NAME Ha ) (RESID 24  AND NAME Hg2*) 4.00  2.00  0.00 
         
assign (resid 25  and name HN ) (resid 25  and name HA  ) 3.00  1.00  0.50     
assign (resid 25  and name HN ) (resid 25  and name HB1 ) 3.00  1.00  2.00
assign (resid 25  and name HN ) (resid 25  and name HB2 ) 2.50  0.50  0.00
assign (resid 25  and name HN ) (resid 25  and name HG1 ) 2.00  0.00  2.00
assign (resid 25  and name HN ) (resid 25  and name HG2 ) 2.00  0.00  2.00
assign (resid 25  and name Ha ) (resid 25  and name HB1 ) 2.50  0.50  0.00
assign (resid 25  and name Ha ) (resid 25  and name HB2 ) 2.50  0.50  1.50 
assign (resid 25  and name HA ) (resid 25  and name HG1 ) 2.00  0.00  3.00
assign (resid 25  and name HA ) (resid 25  and name HG2 ) 2.00  0.00  3.00    
assign (resid 26  and name HN ) (resid 26  and name HA  ) 3.50  1.50  0.00 
         
assign (resid 27  and name HN ) (resid 27  and name HA  ) 3.00  1.00  0.50     
assign (resid 27  and name HN ) (resid 27  and name HB1 ) 2.50  0.50  1.50     
ASSIGN (RESID 27  AND NAME HN ) (RESID 27  AND NAME Hb2 ) 2.50  0.50  0.50
assign (resid 27  and name Ha ) (resid 27  and name HB1 ) 2.50  0.50  0.50     
ASSIGN (RESID 27  AND NAME Ha ) (RESID 27  AND NAME Hb2 ) 2.50  0.50  2.50     
assign (resid 28  and name HN ) (resid 28  and name HA  ) 3.50  1.50  0.00     
ASSIGN (RESID 28  AND NAME HN ) (RESID 28  AND NAME HB1 ) 3.00  1.00  0.50     
ASSIGN (RESID 28  AND NAME HN ) (RESID 28  AND NAME HB2 ) 3.00  1.00  0.50     
ASSIGN (RESID 28  AND NAME Ha ) (RESID 28  AND NAME HB1 ) 3.00  1.00  2.00     
ASSIGN (RESID 28  AND NAME Ha ) (RESID 28  AND NAME HB2 ) 3.00  1.00  0.50
      
ASSIGN (RESID 29  AND NAME HA ) (RESID 29  AND NAME Hb1 ) 2.50  0.50  0.50     
ASSIGN (RESID 29  AND NAME HA ) (RESID 29  AND NAME Hb2 ) 3.50  1.50  0.50     
assign (resid 30  and name HN ) (resid 30  and name HA  ) 2.50  0.50  1.00     
assign (resid 30  and name HN ) (resid 30  and name HB1 ) 3.00  1.00  1.00
assign (resid 30  and name HN ) (resid 30  and name HB2 ) 2.50  0.50  0.00
assign (resid 30  and name Ha ) (resid 30  and name HB2 ) 3.00  1.00  2.00
assign (resid 30  and name Ha ) (resid 30  and name HB1 ) 2.50  0.50  0.00 

ASSIGN (RESID 31  AND NAME HN ) (RESID 31  AND NAME HB  ) 3.50  1.50  1.50 
assign (resid 31  and name HN ) (resid 31  and name HG* ) 2.00  0.00  2.50     
ASSIGN (RESID 31  AND NAME HA ) (RESID 31  AND NAME HB  ) 2.00  0.00  1.00 
assign (resid 31  and name HA ) (resid 31  and name HG* ) 2.00  0.00  2.50     
    
assign (resid 32  and name HN ) (resid 32  and name HA  ) 3.00  1.00  0.50     
ASSIGN (RESID 32  AND NAME HN ) (RESID 32  AND NAME HB1 ) 3.00  1.00  2.00     
ASSIGN (RESID 32  AND NAME HN ) (RESID 32  AND NAME HB2 ) 2.00  0.00  0.50     
ASSIGN (RESID 32  AND NAME HA ) (RESID 32  AND NAME HB1 ) 2.50  0.50  0.50     
ASSIGN (RESID 32  AND NAME HA ) (RESID 32  AND NAME HB2 ) 2.50  0.50  1.50              
ASSIGN (RESID 33  AND NAME HN ) (RESID 33  AND NAME Ha  ) 3.50  1.50  0.00     
assign (resid 33  and name HN ) (resid 33  and name HB* ) 3.50  1.50  0.50 
assign (resid 33  and name HA ) (resid 33  and name HB* ) 2.00  0.00  2.50
         
assign (resid 34  and name HN ) (resid 34  and name HA  ) 2.50  0.50  1.00     
assign (resid 34  and name HN ) (resid 34  and name HB  ) 3.00  1.00  2.00
assign (resid 34  and name Ha ) (resid 34  and name HB  ) 3.00  1.00  2.00 
assign (resid 35  and name HN ) (resid 35  and name HA  ) 3.00  1.00  2.00     
ASSIGN (RESID 35  AND NAME HN ) (RESID 35  AND NAME HB  ) 2.50  0.50  0.50     
ASSIGN (RESID 35  AND NAME HN ) (RESID 35  AND NAME Hd* ) 2.00  0.00  4.50     
ASSIGN (RESID 35  AND NAME Hn ) (RESID 35  AND NAME Hg2*) 2.50  0.50  3.00
ASSIGN (RESID 35  AND NAME HN ) (RESID 35  AND NAME HG11) 2.00  0.00  3.00     

ASSIGN (RESID 35  AND NAME HA ) (RESID 35  AND NAME HB  ) 2.00  0.00  3.00     
ASSIGN (RESID 35  AND NAME HA ) (RESID 35  AND NAME HG11) 2.00  0.00  2.00     
ASSIGN (RESID 35  AND NAME HA ) (RESID 35  AND NAME HG12) 2.00  0.00  1.00
ASSIGN (RESID 35  AND NAME HA ) (RESID 35  AND NAME HG2*) 2.00  0.00  2.50
ASSIGN (RESID 35  AND NAME HA ) (RESID 35  AND NAME HD* ) 2.00  0.00  4.50     
ASSIGN (RESID 36  AND NAME HN ) (RESID 36  AND NAME HB1 ) 2.50  0.50  1.50
ASSIGN (RESID 36  AND NAME HN ) (RESID 36  AND NAME HB2 ) 2.50  0.50  2.50
ASSIGN (RESID 36  AND NAME HN ) (RESID 36  AND NAME HG  ) 2.00  0.00  3.00
ASSIGN (RESID 36  AND NAME HN ) (RESID 36  AND NAME HD1*) 2.00  0.00  4.50     
ASSIGN (RESID 36  AND NAME HN ) (RESID 36  AND NAME HD2*) 2.00  0.00  4.50

ASSIGN (RESID 36  AND NAME Ha ) (RESID 36  AND NAME HB1 ) 2.50  0.50  1.00
ASSIGN (RESID 36  AND NAME Ha ) (RESID 36  AND NAME HB2 ) 2.50  0.50  1.00
ASSIGN (RESID 36  AND NAME Ha ) (RESID 36  AND NAME Hg  ) 2.50  0.50  2.50 

ASSIGN (RESID 38  AND NAME HN ) (RESID 38  AND NAME HA  ) 2.00  0.00  3.00 
assign (resid 38  and name HN ) (resid 38  and name CB  ) 2.00  0.00  3.00    
assign (resid 40  and name HN ) (resid 40  and name Hg* ) 3.00  1.00  3.50    
assign (resid 40  and name HN ) (resid 40  and name HA  ) 2.50  0.50  1.00     
assign (resid 40  and name HN ) (resid 40  and name HB  ) 3.00  1.00  2.00
     
assign (resid 41  and name Ha ) (resid 41  and name Hb1 ) 2.50  1.50  0.50     
assign (resid 41  and name Ha ) (resid 41  and name Hb2 ) 2.50  0.50  1.50     
assign (resid 42  and name HN ) (resid 42  and name HA  ) 3.00  1.00  2.00     
ASSIGN (RESID 42  AND NAME HN ) (RESID 42  AND NAME Hb  ) 4.50  2.50  0.50
assign (resid 42  and name HA ) (resid 42  and name HB  ) 2.00  0.00  1.00     
    
assign (resid 43  and name HN ) (resid 43  and name HA  ) 2.00  0.00  3.00
assign (resid 43  and name HN ) (resid 43  and name HG2*) 2.00  0.00  2.50   
assign (resid 43  and name HA ) (resid 43  and name HG2*) 2.00  0.00  2.50

assign (resid 44  and name HN ) (resid 44  and name HB1 ) 2.00  0.00  3.00
assign (resid 44  and name HN ) (resid 44  and name HB2 ) 2.00  0.00  1.00
assign (resid 44  and name HN ) (resid 44  and name HG1 ) 2.00  0.00  3.00
assign (resid 44  and name HA ) (resid 44  and name HB1 ) 2.00  0.00  1.00
assign (resid 44  and name HA ) (resid 44  and name HB2 ) 2.00  0.00  2.00
        
assign (resid 48  and name HN ) (resid 48  and name Ha  ) 3.00  1.00  2.00     
assign (resid 48  and name HN ) (resid 48  and name HB1 ) 2.50  0.50  2.50     
assign (resid 48  and name HN ) (resid 48  and name Hb2 ) 2.00  0.00  0.50     
assign (resid 48  and name Ha ) (resid 48  and name Hb1 ) 3.50  1.50  0.00     
assign (resid 48  and name Ha ) (resid 48  and name Hb2 ) 3.00  1.00  2.00
 
assign (resid 49  and name HN ) (resid 49  and name Hb2 ) 3.00  1.00  1.00     
assign (resid 49  and name HN ) (resid 49  and name HB1 ) 2.50  0.50  0.50
assign (resid 49  and name Ha ) (resid 49  and name Hb2 ) 3.00  1.00  0.00     
assign (resid 49  and name Ha ) (resid 49  and name HB1 ) 2.50  0.50  0.50
    
ASSIGN (RESID 50  AND NAME HN ) (RESID 50  AND NAME HA  ) 3.00  1.00  0.00     
ASSIGN (RESID 50  AND NAME HN ) (RESID 50  AND NAME Hb1 ) 3.00  1.00  2.00
ASSIGN (RESID 50  AND NAME HN ) (RESID 50  AND NAME Hb2 ) 3.00  1.00  0.00     
ASSIGN (RESID 50  AND NAME Ha ) (RESID 50  AND NAME Hb1 ) 3.00  1.00  0.00
ASSIGN (RESID 50  AND NAME Ha ) (RESID 50  AND NAME Hb2 ) 3.00  1.00  2.00

ASSIGN (RESID 51  AND NAME HN ) (RESID 51  AND NAME HA  ) 2.00  0.00  2.00 
ASSIGN (RESID 51  AND NAME HN ) (RESID 51  AND NAME HB  ) 2.00  0.00  1.00          
assign (resid 51  and name HN ) (resid 51  and name HG1*) 2.00  0.00  2.50     
ASSIGN (RESID 51  AND NAME HN ) (RESID 51  AND NAME HG2*) 2.00  0.00  4.50
ASSIGN (RESID 51  AND NAME HA ) (RESID 51  AND NAME HB  ) 2.00  0.00  3.00           
assign (resid 51  and name Ha ) (resid 51  and name Hg1 ) 3.00  1.00  1.50     
ASSIGN (RESID 51  AND NAME Ha ) (RESID 51  AND NAME HG2*) 2.00  0.00  2.50

ASSIGN (RESID 52  AND NAME HN ) (RESID 52  AND NAME HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 52  AND NAME HN ) (RESID 52  AND NAME HB1 ) 2.00  0.00  2.00
ASSIGN (RESID 52  AND NAME HN ) (RESID 52  AND NAME HB2 ) 2.00  0.00  1.00          
ASSIGN (RESID 52  AND NAME HA ) (RESID 52  AND NAME HB1 ) 2.00  0.00  3.00
ASSIGN (RESID 52  AND NAME HA ) (RESID 52  AND NAME HB2 ) 2.00  0.00  1.00 
assign (resid 52  and name HA ) (resid 52  and name HG1 ) 2.00  0.00  3.00     
ASSIGN (RESID 52  AND NAME HA ) (RESID 52  AND NAME HG2 ) 2.00  0.00  2.00
     
assign (resid 53  and name HN ) (resid 53  and name HA  ) 3.00  1.00  0.50     
ASSIGN (RESID 53  AND NAME HN ) (RESID 53  AND NAME HB  ) 2.50  0.50  0.50     
ASSIGN (RESID 53  AND NAME HN ) (RESID 53  AND NAME Hd* ) 2.00  0.00  4.50     
ASSIGN (RESID 53  AND NAME Hn ) (RESID 53  AND NAME Hg2*) 2.50  0.50  4.00
ASSIGN (RESID 53  AND NAME HN ) (RESID 53  AND NAME Hg11) 4.00  3.00  0.00     
ASSIGN (RESID 53  AND NAME Hn ) (RESID 53  AND NAME Hg12) 4.00  2.50  0.00
          
ASSIGN (RESID 53  AND NAME HA ) (RESID 53  AND NAME HB  ) 2.00  0.00  3.00 
ASSIGN (RESID 53  AND NAME HA ) (RESID 53  AND NAME HG11) 2.00  0.00  3.00     
ASSIGN (RESID 53  AND NAME HA ) (RESID 53  AND NAME HG12) 2.00  0.00  2.00
ASSIGN (RESID 53  AND NAME HA ) (RESID 53  AND NAME HG2*) 2.00  0.00  2.50     
ASSIGN (RESID 53  AND NAME HA ) (RESID 53  AND NAME HD* ) 2.00  0.00  4.50
     
ASSIGN (RESID 54  AND NAME HA ) (RESID 54  AND NAME Hb1 ) 3.00  1.00  0.00     
ASSIGN (RESID 54  AND NAME HA ) (RESID 54  AND NAME Hb2 ) 4.00  2.00  0.00     
ASSIGN (RESID 54  AND NAME HN ) (RESID 54  AND NAME HA  ) 3.00  1.00  0.00     
ASSIGN (RESID 54  AND NAME HN ) (RESID 54  AND NAME HB1 ) 2.50  0.50  1.50     
ASSIGN (RESID 54  AND NAME HN ) (RESID 54  AND NAME Hb2 ) 2.50  0.50  0.50 
       
ASSIGN (RESID 55  AND NAME HA ) (RESID 55  AND NAME Hg1*) 3.00  1.00  3.50     
ASSIGN (RESID 55  AND NAME HA ) (RESID 55  AND NAME Hg2*) 3.50  1.50  1.00     
assign (resid 55  and name HN ) (resid 55  and name HA  ) 2.50  0.50  1.00     
assign (resid 55  and name HN ) (resid 55  and name HB  ) 3.00  1.00  2.00     
assign (resid 55  and name HN ) (resid 55  and name Hg1*) 3.50  1.50  1.50     
assign (resid 55  and name HN ) (resid 55  and name Hg2*) 3.00  1.00  2.50 
    
ASSIGN (RESID 56  AND NAME HA ) (RESID 56  AND NAME Hb1 ) 2.50  0.50  0.50     
ASSIGN (RESID 56  AND NAME HA ) (RESID 56  AND NAME Hb2 ) 2.50  0.50  0.50     
ASSIGN (RESID 56  AND NAME HN ) (RESID 56  AND NAME HA  ) 3.00  1.00  2.00     
ASSIGN (RESID 56  AND NAME HN ) (RESID 56  AND NAME HB1 ) 2.50  0.50  2.50     
ASSIGN (RESID 56  AND NAME HN ) (RESID 56  AND NAME Hb2 ) 2.50  0.50  2.50

assign (resid 60  and name Hn ) (resid 60  and name Hb1 ) 3.00  1.00  2.00     
assign (resid 60  and name Hn ) (resid 60  and name Hb2 ) 2.50  0.50  0.50
assign (resid 60  and name HN ) (resid 60  and name HG  ) 2.00  0.00  3.00     
assign (resid 60  and name HN ) (resid 60  and name HD1*) 2.00  0.00  4.50 
assign (resid 60  and name HN ) (resid 60  and name HD2*) 2.00  0.00  4.50      
assign (resid 60  and name Ha ) (resid 60  and name Hb1 ) 3.00  1.00  0.50     
assign (resid 60  and name Ha ) (resid 60  and name Hb2 ) 3.00  1.00  2.00 
assign (resid 60  and name HA ) (resid 60  and name HD1*) 2.00  0.00  2.50 

assign (resid 61  and name HN ) (resid 61  and name HA  ) 3.00  1.00  0.00 
assign (resid 61  and name HN ) (resid 61  and name HB  ) 2.00  0.00  1.00         
assign (resid 61  and name HN ) (resid 61  and name Hg1*) 3.00  1.00  1.50     
ASSIGN (RESID 61  AND NAME HN ) (RESID 61  AND NAME HG2*) 4.50  2.50  1.00
assign (resid 61  and name HA ) (resid 61  and name HB  ) 2.00  0.00  3.00
assign (resid 61  and name Ha ) (resid 61  and name Hg1*) 3.00  1.00  1.50     
ASSIGN (RESID 61  AND NAME Ha ) (RESID 61  AND NAME HG2*) 2.00  0.00  2.50
     
assign (resid 62  and name Ha ) (resid 62  and name HB  ) 2.50  0.50  0.50    
ASSIGN (RESID 62  AND NAME HA ) (RESID 62  AND NAME Hg1*) 3.00  1.00  2.50     
ASSIGN (RESID 62  AND NAME HA ) (RESID 62  AND NAME Hg2*) 3.50  1.50  1.00     
assign (resid 62  and name HN ) (resid 62  and name HA  ) 2.50  0.50  2.50     
assign (resid 62  and name HN ) (resid 62  and name HB  ) 3.00  1.00  2.00     
assign (resid 62  and name HN ) (resid 62  and name Hg1*) 3.50  1.50  2.00     
assign (resid 62  and name HN ) (resid 62  and name Hg2*) 3.00  1.00  2.50
     
ASSIGN (RESID 63  AND NAME HA ) (RESID 63  AND NAME HB2 ) 3.00  1.00  0.00     
ASSIGN (RESID 63  AND NAME HA ) (RESID 63  AND NAME HB1 ) 3.00  1.00  0.00     
ASSIGN (RESID 64  AND NAME HA ) (RESID 64  AND NAME HB2 ) 3.00  1.00  1.00     
ASSIGN (RESID 64  AND NAME HA ) (RESID 64  AND NAME HB1 ) 3.00  1.00  0.00 
ASSIGN (RESID 65  AND NAME HA ) (RESID 65  AND NAME HB1 ) 2.00  0.00  1.00
ASSIGN (RESID 65  AND NAME HA ) (RESID 65  AND NAME HB2 ) 2.00  0.00  3.00
assign (resid 66  and name HN ) (resid 66  and name HA  ) 2.00  0.00  2.00
    
!                                                                               
                                                                              
! Sequential NOE's    
ASSIGN (RESID 2   AND NAME HN ) (RESID 1   AND NAME HA  ) 2.00  0.00  3.00                                        
ASSIGN (RESID 3   AND NAME HN ) (RESID 2   AND NAME Ha  ) 3.50  1.50  0.00 
assign (resid 3   and name HA ) (resid 4   and name HA  ) 2.00  0.00  4.00     

ASSIGN (RESID 3   AND NAME HB2) (RESID 4   AND NAME HD2 ) 2.00  0.00  3.00     
assign (resid 3   and name HA ) (resid 4   and name hd1 ) 3.00  1.00  0.00     
assign (resid 3   and name HA ) (resid 4   and name hd2 ) 3.00  1.00  0.00     
ASSIGN (RESID 3   AND NAME HA ) (RESID 4   AND NAME Hg* ) 2.00  0.00  4.00  
assign (resid 5   and name HA1) (resid 4   and name HA  ) 2.00  0.00  3.00     
assign (resid 5   and name HA2) (resid 4   and name HA  ) 2.00  0.00  3.00     
    
assign (resid 5   and name HN ) (resid 4   and name Ha  ) 2.50  0.50  0.00     
assign (resid 5   and name HN ) (resid 4   and name cb  ) 3.50  1.50  2.50 
assign (resid 6   and name HN ) (resid 5   and name Ha1 ) 3.00  1.00  0.50    
ASSIGN (RESID 6   AND NAME HN ) (RESID 5   AND NAME HA2 ) 3.00  1.00  0.50     
    
assign (resid 7   and name HN ) (resid 6   and name Ha  ) 2.50  0.50  0.00     
assign (resid 7   and name HN ) (resid 6   and name cb  ) 5.00  3.00  1.00     
assign (resid 7   and name HN ) (resid 6   and name cg  ) 3.50  1.50  2.50     
assign (resid 7   and name HN ) (resid 6   and name Hn  ) 3.50  1.50  1.50 
assign (resid 8   and name HN ) (resid 7   and name HN  ) 3.00  1.00  0.00     
ASSIGN (RESID 8   AND NAME HN ) (RESID 7   AND NAME Ha  ) 3.00  1.00  2.00
     
assign (resid 9   and name HN ) (resid 8   and name HN  ) 2.00  0.00  3.00        
assign (resid 9   and name HN ) (resid 8   and name Ha  ) 2.50  2.00  0.00 
assign (resid 9   and name HA ) (resid 8   and name HA  ) 2.00  0.00  3.00
ASSIGN (RESID 9   AND NAME HZ3) (RESID 8   AND NAME HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 9   AND NAME HE3) (RESID 8   AND NAME HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 9   AND NAME HN ) (RESID 8   AND NAME HB1 ) 2.00  0.00  3.00  
ASSIGN (RESID 9   AND NAME HN ) (RESID 8   AND NAME HB2 ) 2.00  0.00  3.00 
    
assign (resid 9   and name HA ) (resid 10  and name HD1 ) 3.00  1.00  0.50     
assign (resid 9   and name HA ) (resid 10  and name HD2 ) 3.00  1.00  0.50
ASSIGN (RESID 9   AND NAME HA ) (RESID 10  AND NAME Hg2 ) 2.00  0.00  3.00  
ASSIGN (RESID 9   AND NAME HA ) (RESID 10  AND NAME HG1 ) 2.00  0.00  3.00 
assign (resid 9   and name he3) (resid 8   and name Ha  ) 3.00  1.00  0.00 

assign (resid 11  and name HN ) (resid 10  and name HA  ) 2.00  0.00  3.00
assign (resid 11  and name HN ) (resid 10  and name HD1 ) 2.00  0.00  3.00 
ASSIGN (RESID 12  AND NAME HN ) (RESID 11  AND NAME HN  ) 2.00  0.00  3.00            
assign (resid 13  and name HN ) (resid 12  and name HN  ) 4.00  2.00  0.00     
assign (resid 13  and name HN ) (resid 12  and name Ha  ) 5.00  3.00  0.00
assign (resid 13  and name HN ) (resid 12  and name cb  ) 2.00  0.00  4.50   

assign (resid 14  and name HA1) (resid 13  and name HA  ) 2.00  0.00  3.00 
assign (resid 14  and name HA1) (resid 13  and name HA  ) 2.00  0.00  3.00                
assign (resid 14  and name HN ) (resid 13  and name HN  ) 2.00  0.00  3.00          
assign (resid 14  and name HN ) (resid 13  and name Ha  ) 2.50  0.50  0.00     
ASSIGN (RESID 14  AND NAME HN ) (RESID 13  AND NAME Hg1*) 5.00  3.00  1.50     
assign (resid 14  and name HN ) (resid 13  and name hg2*) 4.00  2.00  1.50
     
assign (resid 15  and name HN ) (resid 14  and name HN  ) 3.00  1.00  0.00     
ASSIGN (RESID 15  AND NAME HN ) (RESID 14  AND NAME ca  ) 2.50  0.50  3.50         
assign (resid 16  and name HN ) (resid 15  and name hn  ) 4.00  2.00  0.00     
assign (resid 16  and name HN ) (resid 15  and name ha  ) 3.00  1.00  0.00     
ASSIGN (RESID 16  AND NAME HN ) (RESID 15  AND NAME Hb  ) 2.50  0.50  1.50
assign (resid 16  and name HN ) (resid 15  and name hg1*) 3.00  1.00  3.50     
ASSIGN (RESID 16  AND NAME HN ) (RESID 15  AND NAME hg2*) 2.50  0.50  3.00
     
ASSIGN (RESID 17  AND NAME HN ) (RESID 16  AND NAME Hn  ) 3.50  1.50  0.50     
assign (resid 17  and name HN ) (resid 16  and name ca  ) 2.50  0.50  1.00          
ASSIGN (RESID 18  AND NAME HN ) (RESID 17  AND NAME HN  ) 3.00  2.00  1.00     
assign (resid 18  and name HN ) (resid 17  and name ca  ) 3.00  2.00  3.00     
assign (resid 18  and name HN ) (resid 19  and name HG1*) 2.00  0.00  4.50

ASSIGN (RESID 19  AND NAME HN ) (RESID 18  AND NAME Hn  ) 3.00  1.00  0.00     
ASSIGN (RESID 19  AND NAME HN ) (RESID 18  AND NAME Ha  ) 3.00  1.00  2.00     
ASSIGN (RESID 19  AND NAME HN ) (RESID 18  AND NAME Hb1 ) 3.00  1.00  2.00     
ASSIGN (RESID 19  AND NAME HN ) (RESID 18  AND NAME HB2 ) 3.00  1.00  2.00
assign (resid 19  and name HN ) (resid 20  and name HB* ) 2.00  0.00  4.50
     
ASSIGN (RESID 20  AND NAME HN ) (RESID 19  AND NAME HN  ) 3.00  1.00  0.00     
assign (resid 20  and name HN ) (resid 19  and name HA  ) 3.00  1.00  2.00     
ASSIGN (RESID 20  AND NAME HN ) (RESID 19  AND NAME HB  ) 2.50  0.50  0.50 
ASSIGN (RESID 20  AND NAME HN ) (RESID 19  AND NAME HG2*) 2.00  0.00  4.50  
ASSIGN (RESID 20  AND NAME HA ) (RESID 19  AND NAME HG2*) 2.00  0.00  4.50     
assign (resid 20  and name HA ) (resid 19  and name HG2*) 2.00  0.00  4.50

ASSIGN (RESID 21  AND NAME HN ) (RESID 20  AND NAME HA  ) 2.00  0.00  3.00     
ASSIGN (RESID 21  AND NAME HN ) (RESID 20  AND NAME HB* ) 2.50  0.50  2.00     
ASSIGN (RESID 21  AND NAME HN ) (RESID 20  AND NAME Ha  ) 4.00  2.00  1.00
ASSIGN (RESID 21  AND NAME HA ) (RESID 20  AND NAME HB* ) 2.00  0.00  4.50 
     
assign (resid 22  and name HN ) (resid 21  and name Hn  ) 3.00  1.00  0.00     
ASSIGN (RESID 22  AND NAME HN ) (RESID 21  AND NAME Ha  ) 3.00  1.00  2.00     
ASSIGN (RESID 22  AND NAME HN ) (RESID 21  AND NAME HB1 ) 3.00  1.00  0.00 
ASSIGN (RESID 22  AND NAME HA ) (RESID 21  AND NAME HG2 ) 2.00  0.00  3.00               
ASSIGN (RESID 22  AND NAME HN ) (RESID 23  AND NAME HG11) 2.00  0.00  3.00    
     
ASSIGN (RESID 23  AND NAME HN ) (RESID 22  AND NAME HA  ) 5.00  3.00  0.00     
assign (resid 23  and name HN ) (resid 22  and name HN  ) 3.00  1.00  0.00     
assign (resid 23  and name HN ) (resid 22  and name HB* ) 3.00  1.00  1.50
ASSIGN (RESID 23  AND NAME HA ) (RESID 22  AND NAME HB* ) 2.00  0.00  4.50      
        
assign (resid 24  and name Hn ) (resid 23  and name HA  ) 5.00  3.00  0.00     
assign (resid 24  and name Hn ) (resid 23  and name Hb  ) 3.00  1.00  0.00     
assign (resid 24  and name Hn ) (resid 23  and name Hn  ) 3.00  1.00  0.00     
assign (resid 24  and name Hn ) (resid 23  and name Hg2*) 5.00  3.00  1.50     
        
assign (resid 24  and name HN ) (resid 23  and name HD* ) 2.00  0.00  4.50 
assign (resid 24  and name HA ) (resid 23  and name HG2*) 2.00  0.00  4.50
     
ASSIGN (RESID 25  AND NAME HN ) (RESID 24  AND NAME hn  ) 3.00  1.00  0.00 
ASSIGN (RESID 25  AND NAME HN ) (RESID 24  AND NAME HA  ) 2.00  0.00  3.00     
ASSIGN (RESID 25  AND NAME HN ) (RESID 24  AND NAME HB  ) 3.00  1.00  0.00
ASSIGN (RESID 25  AND NAME Hn ) (RESID 24  AND NAME HG11) 2.00  0.00  3.00        
          
ASSIGN (RESID 25  AND NAME HN ) (RESID 24  AND NAME Hg2*) 6.00  4.00  0.50
ASSIGN (RESID 25  AND NAME HA ) (RESID 24  AND NAME HG2*) 2.00  0.00  4.50  
ASSIGN (RESID 25  AND NAME HN ) (RESID 24  AND NAME HD* ) 2.00  0.00  4.50 

ASSIGN (RESID 25  AND NAME HA ) (RESID 24  AND NAME HB  ) 2.00  0.00  3.00  
ASSIGN (RESID 25  AND NAME HG1) (RESID 24  AND NAME HG2*) 2.00  0.00  4.50 
ASSIGN (RESID 25  AND NAME HG2) (RESID 24  AND NAME HG2*) 2.00  0.00  4.50    

assign (resid 26  and name HN ) (resid 25  and name Hn  ) 2.50  0.50  0.50     
assign (resid 26  and name HN ) (resid 25  and name Ha  ) 4.00  2.00  1.00     
assign (resid 26  and name HN ) (resid 25  and name Hb1 ) 2.50  0.50  2.50     
assign (resid 26  and name HN ) (resid 25  and name Hb2 ) 4.00  2.00  1.00
     
assign (resid 27  and name HN ) (resid 26  and name HN  ) 3.00  1.00  0.00     
ASSIGN (RESID 27  AND NAME HN ) (RESID 26  AND NAME cb  ) 3.00  1.00  2.00 
ASSIGN (RESID 27  AND NAME HN ) (RESID 26  AND NAME HA  ) 2.00  0.00  3.00  
    
assign (resid 28  and name HN ) (resid 27  and name HN  ) 3.00  1.00  0.00     
ASSIGN (RESID 28  AND NAME HN ) (RESID 27  AND NAME HB1 ) 3.00  1.00  1.00     
ASSIGN (RESID 28  AND NAME HN ) (RESID 27  AND NAME HB2 ) 3.00  1.00  1.00     
assign (resid 28  and name HN ) (resid 27  and name HA  ) 3.50  1.50  1.50     
ASSIGN (RESID 28  AND NAME Ha ) (RESID 29  AND NAME Hd1 ) 3.00  1.00  0.00     
assign (resid 28  and name Ha ) (resid 29  and name Hd2 ) 3.00  1.50  0.00 
assign (resid 28  and name HA ) (resid 29  and name HG2 ) 2.00  0.00  3.00    
 
assign (resid 30  and name HN ) (resid 29  and name HA  ) 2.00  0.00  3.00          
assign (resid 30  and name HN ) (resid 29  and name Hd1 ) 3.00  1.00  2.00     
assign (resid 30  and name HN ) (resid 29  and name Hd2 ) 3.00  1.00  2.00 
ASSIGN (RESID 30  AND NAME HN ) (RESID 29  AND NAME HB2 ) 2.00  0.00  3.00  
ASSIGN (RESID 30  AND NAME HN ) (RESID 29  AND NAME HG2 ) 2.00  0.00  3.00  

    
ASSIGN (RESID 30  AND NAME HN ) (RESID 31  AND NAME HG* ) 2.00  0.00  4.50       
assign (resid 31  and name HN ) (resid 30  and name HN  ) 3.00  1.00  0.00     
ASSIGN (RESID 31  AND NAME HN ) (RESID 30  AND NAME HA  ) 5.00  3.00  0.00     
ASSIGN (RESID 31  AND NAME HN ) (RESID 30  AND NAME HB2 ) 5.00  3.00  0.00

ASSIGN (RESID 32  AND NAME HN ) (RESID 31  AND NAME HN  ) 2.00  0.00  3.00       
assign (resid 32  and name HN ) (resid 31  and name Ha  ) 2.50  0.50  0.00     
assign (resid 32  and name HN ) (resid 31  and name cb  ) 3.00  1.00  4.50 
ASSIGN (RESID 32  AND NAME HN ) (RESID 31  AND NAME HG* ) 2.00  0.00  4.50      
     
assign (resid 33  and name HN ) (resid 32  and name Ha  ) 2.50  1.00  0.00
ASSIGN (RESID 33  AND NAME HN ) (RESID 32  AND NAME HB1 ) 2.00  0.00  3.00      
assign (resid 33  and name HN ) (resid 32  and name CD  ) 2.00  0.00  4.00
assign (resid 33  and name HA ) (resid 32  and name HA  ) 2.00  0.00  4.00 
assign (resid 33  and name HN ) (resid 34  and name HG* ) 2.00  0.00  4.50
assign (resid 33  and name HA ) (resid 34  and name HA  ) 2.00  0.00  4.00 
assign (resid 33  and name HA ) (resid 34  and name CB  ) 2.00  0.00  5.50 

assign (resid 34  and name HN ) (resid 33  and name HN  ) 2.00  0.00  3.50                
ASSIGN (RESID 34  AND NAME HN ) (RESID 33  AND NAME Ha  ) 2.50  0.50  0.00     
ASSIGN (RESID 34  AND NAME HN ) (RESID 33  AND NAME cb  ) 5.00  3.00  1.00     
assign (resid 34  and name HA ) (resid 35  and name HG11) 2.00  0.00  3.00      
     
ASSIGN (RESID 35  AND NAME HN ) (RESID 34  AND NAME ha  ) 2.50  0.50  0.00     
ASSIGN (RESID 35  AND NAME HN ) (RESID 34  AND NAME Hb  ) 2.50  0.50  2.50  
ASSIGN (RESID 35  AND NAME HN ) (RESID 34  AND NAME Cb  ) 2.00  0.00  5.50              
ASSIGN (RESID 36  AND NAME HN ) (RESID 35  AND NAME HN  ) 2.00  0.00  3.00       
assign (resid 36  and name HN ) (resid 35  and name HA  ) 2.50  3.00  0.00     
assign (resid 36  and name HN ) (resid 35  and name Hb  ) 4.50  2.50  0.50
    
ASSIGN (RESID 37  AND NAME HN ) (RESID 36  AND NAME Ha  ) 2.50  0.50  0.00     
assign (resid 37  and name HN ) (resid 36  and name cg  ) 4.00  2.00  4.00 
ASSIGN (RESID 37  AND NAME HN ) (RESID 36  AND NAME HB1 ) 2.00  0.00  3.00      
ASSIGN (RESID 37  AND NAME HN ) (RESID 36  AND NAME Hb2 ) 3.00  1.00  2.00 
    
assign (resid 38  and name HN ) (resid 37  and name HA  ) 2.00  0.00  0.50     
assign (resid 38  and name HN ) (resid 37  and name cb  ) 2.50  0.50  3.50     
ASSIGN (RESID 38  AND NAME HN ) (RESID 37  AND NAME cg  ) 3.00  1.00  3.00 
    
ASSIGN (RESID 39  AND NAME HN ) (RESID 38  AND NAME HN  ) 2.00  0.00  3.00     
assign (resid 39  and name HN ) (resid 38  and name Ha  ) 2.50  0.50  0.00
assign (resid 39  and name HN ) (resid 38  and name cb  ) 2.50  0.50  3.50

ASSIGN (RESID 40  AND NAME HN ) (RESID 39  AND NAME HN  ) 2.00  0.00  3.00       
assign (resid 40  and name HN ) (resid 39  and name HA1 ) 4.50  2.50  0.50     
assign (resid 40  and name HN ) (resid 39  and name Ha2 ) 3.00  1.00  2.00     
ASSIGN (RESID 40  AND NAME Ha ) (RESID 41  AND NAME Hd1 ) 3.00  1.00  0.00
ASSIGN (RESID 40  AND NAME Ha ) (RESID 41  AND NAME Hd2 ) 3.00  1.00  0.00
ASSIGN (RESID 40  AND NAME HA ) (RESID 41  AND NAME HG1 ) 2.00  0.00  3.00
        
assign (resid 42  and name HN ) (resid 41  and name Ha  ) 2.50  2.00  0.00     
assign (resid 42  and name HN ) (resid 41  and name HB1 ) 3.00  1.00  2.00
assign (resid 42  and name HN ) (resid 41  and name HB2 ) 3.00  1.00  2.00
     
assign (resid 43  and name HN ) (resid 42  and name Ha  ) 3.00  1.00  2.00     
ASSIGN (RESID 43  AND NAME HN ) (RESID 42  AND NAME HB  ) 2.50  2.00  0.50     
ASSIGN (RESID 43  AND NAME HN ) (RESID 42  AND NAME Hg1*) 3.00  1.00  3.50     
ASSIGN (RESID 43  AND NAME HN ) (RESID 42  AND NAME HG2*) 3.50  1.50  3.00
ASSIGN (RESID 43  AND NAME HA ) (RESID 42  AND NAME HA  ) 2.00  0.00  3.00
     
ASSIGN (RESID 44  AND NAME HN ) (RESID 43  AND NAME HA  ) 2.00  0.00  1.50       
ASSIGN (RESID 45  AND NAME HN ) (RESID 44  AND NAME HA  ) 2.00  0.00  2.00
ASSIGN (RESID 45  AND NAME HN ) (RESID 44  AND NAME HB1 ) 2.00  0.00  3.00
ASSIGN (RESID 45  AND NAME HN ) (RESID 44  AND NAME HG2 ) 2.00  0.00  3.00
ASSIGN (RESID 45  AND NAME HN ) (RESID 46  AND NAME cb  ) 2.00  0.00  5.50
         
assign (resid 46  and name HN ) (resid 45  and name Ha  ) 3.00  1.00  0.00     
assign (resid 46  and name HN ) (resid 45  and name cb  ) 3.50  1.50  0.00          
assign (resid 47  and name HN ) (resid 46  and name Ha  ) 2.50  0.50  0.00 
ASSIGN (RESID 47  AND NAME HN ) (RESID 46  AND NAME HD* ) 2.00  0.00  4.00  
       
assign (resid 48  and name HN ) (resid 47  and name Ha  ) 2.50  0.50  0.00     
ASSIGN (RESID 48  AND NAME HN ) (RESID 47  AND NAME cb  ) 3.50  1.50  2.50     
assign (resid 49  and name HN ) (resid 48  and name HB1 ) 2.00  0.00  3.00
ASSIGN (RESID 49  AND NAME HN ) (RESID 48  AND NAME HB2 ) 2.00  0.00  3.00     
assign (resid 49  and name HN ) (resid 48  and name HN  ) 3.00  1.00  0.00     
assign (resid 49  and name HN ) (resid 48  and name Ha  ) 3.00  1.00  2.00 
ASSIGN (RESID 49  AND NAME HN ) (RESID 50  AND NAME HG2 ) 2.00  0.00  3.00      
          
assign (resid 50  and name HN ) (resid 49  and name Hn  ) 3.00  1.00  0.00
ASSIGN (RESID 50  AND NAME HN ) (RESID 49  AND NAME HA  ) 2.00  0.00  3.00  
ASSIGN (RESID 50  AND NAME HN ) (RESID 49  AND NAME HB2 ) 2.00  0.00  3.00            
assign (resid 51  and name HN ) (resid 50  and name HA  ) 2.50  1.00  0.00  
assign (resid 51  and name HN ) (resid 50  and name HN  ) 2.00  0.00  3.50
assign (resid 51  and name HN ) (resid 50  and name HB1 ) 2.00  0.00  3.50
   
assign (resid 52  and name HN ) (resid 51  and name HA  ) 2.50  1.00  0.00 
ASSIGN (RESID 52  AND NAME HN ) (RESID 51  AND NAME HG1*) 2.00  0.00  4.50 
ASSIGN (RESID 52  AND NAME HN ) (RESID 51  AND NAME HG2*) 2.00  0.00  4.50  
assign (resid 52  and name HN ) (resid 51  and name HN  ) 2.00  0.00  3.00 
        
ASSIGN (RESID 53  AND NAME HN ) (RESID 52  AND NAME HA  ) 2.50  0.50  1.00        
assign (resid 53  and name HN ) (resid 52  and name HN  ) 2.00  0.00  3.50    
ASSIGN (RESID 53  AND NAME HN ) (RESID 52  AND NAME HB2 ) 2.00  0.00  3.00  
   
assign (resid 54  and name HN ) (resid 53  and name Ha  ) 2.50  1.00  0.00
ASSIGN (RESID 54  AND NAME HN ) (RESID 53  AND NAME HG2*) 2.00  0.00  4.50  
ASSIGN (RESID 54  AND NAME HB2) (RESID 53  AND NAME HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 54  AND NAME HD1) (RESID 53  AND NAME HA  ) 2.00  0.00  3.00 
assign (resid 54  and name HN ) (resid 53  and name HB  ) 2.00  0.00  3.00 
ASSIGN (RESID 54  AND NAME HA ) (RESID 55  AND NAME HG1*) 2.00  0.00  4.50 
  
assign (resid 55  and name HN ) (resid 54  and name Ha  ) 2.50  0.50  0.00     
assign (resid 55  and name HN ) (resid 54  and name Hb1 ) 3.50  1.50  1.50     
assign (resid 55  and name HN ) (resid 54  and name HB2 ) 3.00  1.00  2.00 
ASSIGN (RESID 55  AND NAME HN ) (RESID 54  AND NAME HE3 ) 2.00  0.00  3.00  
    
ASSIGN (RESID 56  AND NAME HN ) (RESID 55  AND NAME HN  ) 2.00  0.00  3.00  
assign (resid 56  and name HN ) (resid 55  and name Ha  ) 2.50  1.00  0.00     
assign (resid 56  and name Hn ) (resid 55  and name hg1*) 3.00  1.00  3.50     
assign (resid 56  and name Hn ) (resid 55  and name hg2*) 3.00  1.00  3.50     
ASSIGN (RESID 56  AND NAME Ha ) (RESID 55  AND NAME HA  ) 2.00  0.00  3.00     
     
ASSIGN (RESID 57  AND NAME HN ) (RESID 56  AND NAME Ha  ) 3.00  1.00  0.50     
ASSIGN (RESID 57  AND NAME HN ) (RESID 56  AND NAME HB1 ) 3.00  1.00  2.00     
ASSIGN (RESID 57  AND NAME Hn ) (RESID 56  AND NAME HB2 ) 3.00  1.00  2.00

ASSIGN (RESID 58  AND NAME HN ) (RESID 57  AND NAME HN  ) 2.00  0.00  3.00       
assign (resid 58  and name Hn ) (resid 57  and name Ha  ) 3.00  1.00  2.00     
assign (resid 58  and name HN ) (resid 57  and name HB2 ) 2.00  0.00  3.00 
assign (resid 58  and name HN ) (resid 57  and name CG  ) 2.00  0.00  4.50      
     
assign (resid 59  and name Hn ) (resid 58  and name HA  ) 3.00  1.00  2.00
assign (resid 59  and name Hn ) (resid 58  and name Hn  ) 3.00  1.00  0.00
ASSIGN (RESID 59  AND NAME HN ) (RESID 58  AND NAME HB1 ) 2.00  0.00  3.00  
ASSIGN (RESID 59  AND NAME HN ) (RESID 58  AND NAME HB2 ) 2.00  0.00  3.00  
ASSIGN (RESID 59  AND NAME HN ) (RESID 60  AND NAME HD22) 2.00  0.00  3.00  
assign (resid 59  and name HN ) (resid 60  and name cg  ) 2.00  0.00  5.00 
     
ASSIGN (RESID 60  AND NAME HN ) (RESID 59  AND NAME Ha1 ) 3.50  1.50  1.50     
ASSIGN (RESID 60  AND NAME HN ) (RESID 59  AND NAME Ha2 ) 3.50  1.50  1.50     
ASSIGN (RESID 60  AND NAME HN ) (RESID 59  AND NAME Hn  ) 3.00  1.00  0.00

ASSIGN (RESID 61  AND NAME HN ) (RESID 60  AND NAME HD2*) 2.00  0.00  4.50        
ASSIGN (RESID 61  AND NAME HN ) (RESID 60  AND NAME HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 61  AND NAME HN ) (RESID 60  AND NAME HB2 ) 2.00  0.00  3.00       
assign (resid 61  and name HN ) (resid 60  and name HN  ) 2.00  0.00  3.00  
          
assign (resid 62  and name Hn ) (resid 61  and name Ha  ) 2.50  0.50  0.00 
ASSIGN (RESID 62  AND NAME HN ) (RESID 61  AND NAME HB  ) 2.00  0.00  3.00      
     
assign (resid 63  and name HN ) (resid 62  and name HA  ) 2.50  0.50  2.50
assign (resid 63  and name HN ) (resid 62  and name HN  ) 2.00  0.00  3.00 

ASSIGN (RESID 63  AND NAME HN ) (RESID 62  AND NAME HB  ) 2.00  0.00  3.00  
ASSIGN (RESID 63  AND NAME HN ) (RESID 62  AND NAME HG1*) 2.00  0.00  4.50  
assign (resid 63  and name HN ) (resid 62  and name HG2*) 2.00  0.00  4.50 
     
assign (resid 63  and name HA ) (resid 64  and name HD1 ) 3.00  1.00  0.00     
assign (resid 63  and name HA ) (resid 64  and name HD2 ) 3.00  1.00  0.00
ASSIGN (RESID 63  AND NAME HA ) (RESID 64  AND NAME HG1 ) 2.00  0.00  3.00 
ASSIGN (RESID 63  AND NAME HA ) (RESID 64  AND NAME HG2 ) 2.00  0.00  3.00     

assign (resid 64  and name HA ) (resid 65  and name HD1 ) 3.00  1.00  1.00     
assign (resid 64  and name HA ) (resid 65  and name HD2 ) 3.00  1.00  1.00
    
assign (resid 66  and name HN ) (resid 65  and name HA  ) 3.00  1.00  0.50        
assign (resid 67  and name HA ) (resid 66  and name HA  ) 2.00  0.00  3.00     
assign (resid 67  and name HN ) (resid 66  and name HA  ) 3.00  1.00  0.00     
ASSIGN (RESID 67  AND NAME HN ) (RESID 66  AND NAME HB1 ) 2.50  0.50  2.50     
ASSIGN (RESID 67  AND NAME HN ) (RESID 66  AND NAME Hb2 ) 5.00  3.00  0.00
     
assign (resid 68  and name HN ) (resid 67  and name Ha  ) 2.50  0.50  0.00     
assign (resid 68  and name HN ) (resid 67  and name Hg2*) 3.50  1.50  2.00 
                                                                               
!short range NOE's  
 
assign (resid 8   and name HN ) (resid 6   and name HB1 ) 2.00  0.00  3.00
assign (resid 8   and name HN ) (resid 6   and name HD1 ) 2.00  0.00  3.00  
assign (resid 8   and name HN ) (resid 6   and name HE2 ) 2.00  0.00  3.00             
assign (resid 8   and name Hn ) (resid 6   and name hg2 ) 3.50  1.50  1.50     
assign (resid 8   and name HN ) (resid 6   and name HA  ) 2.50  1.50  2.50              
assign (resid 9   and name HA ) (resid 6   and name HD1 ) 2.00  0.00  3.00 
assign (resid 9   and name HZ2) (resid 6   and name HB1 ) 2.00  0.00  3.00  
assign (resid 9   and name HZ2) (resid 6   and name HB2 ) 2.00  0.00  3.00 
assign (resid 9   and name HH2) (resid 6   and name HB1 ) 2.00  0.00  3.00 
assign (resid 9   and name HB1) (resid 12  and name CG  ) 2.00  0.00  5.50 
assign (resid 9   and name HB2) (resid 12  and name CG  ) 2.00  0.00  5.50 
assign (resid 9   and name HD1) (resid 12  and name CG  ) 2.00  0.00  5.50 
   
ASSIGN (RESID 9   AND NAME HZ2) (RESID 6   AND NAME HB1 ) 2.00  0.00  3.00 
ASSIGN (RESID 9   AND NAME HZ2) (RESID 6   AND NAME HD1 ) 2.00  0.00  3.00 
ASSIGN (RESID 9   AND NAME HZ2) (RESID 6   AND NAME HG2 ) 2.00  0.00  3.00     
assign (resid 9   and name He1) (resid 6   and name cg  ) 4.00  2.00  1.00 
assign (resid 9   and name he1) (resid 6   and name hd1 ) 5.00  3.00  0.00 
assign (resid 9   and name He1) (resid 6   and name Hd2 ) 5.00  3.00  0.00  
assign (resid 9   and name he1) (resid 6   and name ce  ) 4.00  2.00  2.00

assign (resid 13  and name HN ) (resid 11  and name HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 13  AND NAME HA ) (RESID 15  AND NAME HN  ) 2.00  0.00  2.00 
ASSIGN (RESID 16  AND NAME HN ) (RESID 13  AND NAME HA  ) 2.00  0.00  3.00  
ASSIGN (RESID 15  AND NAME HN ) (RESID 13  AND NAME Ha  ) 3.50  2.50  0.50  
ASSIGN (RESID 14  AND NAME HN ) (RESID 16  AND NAME HN  ) 2.00  0.00  3.00  
ASSIGN (RESID 16  AND NAME HN ) (RESID 20  AND NAME HB* ) 2.00  0.00  4.50 
    
assign (resid 17  and name HN ) (resid 20  and name HN  ) 2.00  0.00  3.00 
assign (resid 17  and name HN ) (resid 20  and name HB* ) 2.00  0.00  4.50  
ASSIGN (RESID 17  AND NAME HA1) (RESID 20  AND NAME Hb* ) 2.00  0.00  4.50   

ASSIGN (RESID 18  AND NAME HA ) (RESID 21  AND NAME HB1 ) 2.00  0.00  3.00 
ASSIGN (RESID 18  AND NAME HA ) (RESID 21  AND NAME HB2 ) 2.00  0.00  3.00 
assign (resid 18  and name HA ) (resid 21  and name HD1 ) 2.00  0.00  3.00
assign (resid 18  and name HN ) (resid 20  and name HN  ) 2.00  0.00  3.00 
assign (resid 19  and name HN ) (resid 17  and name CA  ) 2.00  0.00  4.00
assign (resid 19  and name HN ) (resid 21  and name HN  ) 2.00  0.00  3.00 
ASSIGN (RESID 19  AND NAME Ha ) (RESID 23  AND NAME Hg12) 2.00  0.00  3.00 
ASSIGN (RESID 19  AND NAME HA ) (RESID 22  AND NAME HB* ) 2.00  0.00  4.50 

ASSIGN (RESID 20  AND NAME HA ) (RESID 23  AND NAME HN  ) 2.00  0.00  3.00  
assign (resid 20  and name HA ) (resid 23  and name HD* ) 2.00  0.00  4.50 
ASSIGN (RESID 20  AND NAME HA ) (RESID 23  AND NAME HB  ) 2.00  0.00  3.00 
ASSIGN (RESID 20  AND NAME HA ) (RESID 23  AND NAME HG11) 2.00  0.00  3.00 
assign (resid 20  and name HN ) (resid 23  and name HD* ) 2.00  0.00  4.50
ASSIGN (RESID 20  AND NAME HN ) (RESID 17  AND NAME HA1 ) 2.00  0.00  3.00 
 
assign (resid 21  and name Hn ) (resid 18  and name Ha  ) 3.00  1.00  0.50 
assign (resid 21  and name HN ) (resid 19  and name HN  ) 2.00  0.00  3.00 
assign (resid 21  and name HN ) (resid 23  and name HG11) 2.00  0.00  3.50 
assign (resid 21  and name HN ) (resid 24  and name HD* ) 2.00  0.00  4.50        
ASSIGN (RESID 21  AND NAME HA ) (RESID 24  AND NAME HD* ) 2.00  0.00  4.50 
ASSIGN (RESID 21  AND NAME HA ) (RESID 24  AND NAME HG2*) 2.00  0.00  4.50  
 
assign (resid 22  and name hn ) (resid 18  and name Ha  ) 5.00  3.00  0.00 
assign (resid 22  and name Hn ) (resid 19  and name Ha  ) 3.50  1.50  0.00    
ASSIGN (RESID 22  AND NAME Hn ) (RESID 20  AND NAME HA  ) 2.00  0.00  3.00 
assign (resid 22  and name HN ) (resid 24  and name HN  ) 2.00  0.00  3.00 
ASSIGN (RESID 22  AND NAME HA ) (RESID 25  AND NAME HB2 ) 2.00  0.00  3.00 
ASSIGN (RESID 22  AND NAME HA ) (RESID 26  AND NAME HN  ) 2.00  0.00  3.00 
 
assign (resid 23  and name Hn ) (resid 20  and name Ha  ) 3.50  1.50  0.00 
assign (resid 23  and name HN ) (resid 21  and name HN  ) 2.00  0.00  3.00 
assign (resid 23  and name HN ) (resid 21  and name HA  ) 2.00  0.00  3.00 
assign (resid 23  and name HA ) (resid 25  and name HN  ) 2.00  0.00  3.00       
ASSIGN (RESID 23  AND NAME HA ) (RESID 26  AND NAME HB* ) 2.00  0.00  4.00 

assign (resid 24  and name HN ) (resid 20  and name HA  ) 2.00  0.00  3.00            
assign (resid 24  and name Hn ) (resid 21  and name Ha  ) 3.50  1.50  0.00 
assign (resid 24  and name HN ) (resid 26  and name HN  ) 2.00  0.00  3.50  
assign (resid 24  and name HA ) (resid 27  and name HB1 ) 2.00  0.00  3.00 
ASSIGN (RESID 24  AND NAME Ha ) (RESID 27  AND NAME Hb2 ) 2.00  0.00  3.00 
 
assign (resid 25  and name HN ) (resid 21  and name HA  ) 2.00  0.00  3.00  
assign (resid 25  and name HN ) (resid 23  and name HA  ) 2.00  0.00  3.00      
assign (resid 25  and name HN ) (resid 22  and name Ha  ) 3.50  1.50  0.00 
ASSIGN (RESID 25  AND NAME HN ) (RESID 21  AND NAME HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 25  AND NAME HA ) (RESID 31  AND NAME HG1*) 2.00  0.00  4.50  

ASSIGN (RESID 26  AND NAME Hn ) (RESID 22  AND NAME HA  ) 2.00  0.00  3.00        
ASSIGN (RESID 26  AND NAME Hn ) (RESID 23  AND NAME Ha  ) 3.00  1.00  0.50 

assign (resid 27  and name HN ) (resid 23  and name Ha  ) 3.00  1.00  2.00  
ASSIGN (RESID 27  AND NAME HN ) (RESID 23  AND NAME HG2*) 2.00  0.00  4.50     
assign (resid 27  and name Hn ) (resid 24  and name HA  ) 5.00  3.00  0.00 
assign (resid 27  and name HN ) (resid 25  and name HN  ) 2.00  0.00  3.00     
ASSIGN (RESID 27  AND NAME HN ) (RESID 29  AND NAME HD2 ) 2.00  0.00  3.00  

ASSIGN (RESID 28  AND NAME HN ) (RESID 24  AND NAME HA  ) 2.00  0.00  3.00      
ASSIGN (RESID 28  AND NAME HN ) (RESID 24  AND NAME HG2*) 2.00  0.00  4.50      
ASSIGN (RESID 28  AND NAME HN ) (RESID 25  AND NAME Ha  ) 3.50  1.50  0.00  
ASSIGN (RESID 28  AND NAME HN ) (RESID 26  AND NAME HA  ) 2.00  0.00  3.00  
ASSIGN (RESID 28  AND NAME HN ) (RESID 31  AND NAME HG1*) 2.00  0.00  4.50 
assign (resid 28  and name HA ) (resid 31  and name Cb  ) 2.00  0.00  5.50 
     
ASSIGN (RESID 28  AND NAME HD21) (RESID 31  AND NAME cb  ) 5.00  3.00  3.00     
ASSIGN (RESID 28  AND NAME HD22) (RESID 31 AND NAME cb   ) 5.00  2.00  3.00           
assign (resid 30  and name HN  ) (resid 28  and name Ha  ) 4.00  2.00  1.00    
assign (resid 30  and name hN  ) (resid 28  and name HA  ) 2.00  0.00  3.00  
assign (resid 31  and name hN  ) (resid 28  and name HA  ) 2.00  0.00  3.50  
assign (resid 31  and name hN  ) (resid 28  and name HB1 ) 2.00  0.00  3.00 

assign (resid 40  and name HN  ) (resid 36  and name HD2*) 2.00  0.00  4.50  
ASSIGN (RESID 45  AND NAME HN  ) (RESID 43  AND NAME HA  ) 2.00  0.00  3.00            
assign (resid 45  and name HN  ) (resid 43  and name Hb  ) 3.50  1.50  1.50     
assign (resid 45  and name HN  ) (resid 43  and name Hg* ) 3.50  1.50  3.00

ASSIGN (RESID 49  AND NAME HN  ) (RESID 47  AND NAME HA  ) 2.00  0.00  3.00  
ASSIGN (RESID 49  AND NAME HN  ) (RESID 47  AND NAME HB1 ) 2.00  0.00  3.00  
ASSIGN (RESID 49  AND NAME HN  ) (RESID 47  AND NAME HB2 ) 2.00  0.00  3.00 
 
ASSIGN (RESID 50  AND NAME HN  ) (RESID 47  AND NAME HB1 ) 2.00  0.00  3.00  
ASSIGN (RESID 50  AND NAME HN  ) (RESID 47  AND NAME HB2 ) 2.00  0.00  3.00  
ASSIGN (RESID 50  AND NAME HN  ) (RESID 48  AND NAME HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 50  AND NAME HE  ) (RESID 52  AND NAME cz  ) 2.00  0.00  3.50  
ASSIGN (RESID 50  AND NAME cz  ) (RESID 52  AND NAME cz  ) 2.00  0.00  7.00  
ASSIGN (RESID 52  AND NAME He  ) (RESID 50  AND NAME Hd* ) 2.00  0.00  4.00      

ASSIGN (RESID 54  AND NAME Hz2 ) (RESID 52  AND NAME Hd1 ) 2.00  0.00  3.00 
ASSIGN (RESID 54  AND NAME Hz2 ) (RESID 52  AND NAME Hd2 ) 2.00  0.00  3.00 
ASSIGN (RESID 54  AND NAME He1 ) (RESID 52  AND NAME Hd1 ) 2.00  0.00  3.00
ASSIGN (RESID 54  AND NAME He1 ) (RESID 52  AND NAME Hd2 ) 2.00  0.00  3.00     
ASSIGN (RESID 54  AND NAME He1 ) (RESID 52  AND NAME Hb1 ) 2.00  0.00  3.00 
ASSIGN (RESID 54  AND NAME He1 ) (RESID 52  AND NAME Hb2 ) 2.00  0.00  3.00 

ASSIGN (RESID 55  AND NAME Ha  ) (RESID 60  AND NAME Hn  ) 2.00  0.00  3.00 
ASSIGN (RESID 56  AND NAME Hd21) (RESID 58  AND NAME Hn  ) 2.00  0.00  3.00
ASSIGN (RESID 56  AND NAME Ha  ) (RESID 62  AND NAME Hg2*) 2.00  0.00  4.50   
ASSIGN (RESID 56  AND NAME nd2 ) (RESID 60  AND NAME Hb1 ) 2.00  0.00  3.00  
ASSIGN (RESID 56  AND NAME nd2 ) (RESID 60  AND NAME HB2 ) 2.00  0.00  3.00  
ASSIGN (RESID 56  AND NAME Hd21) (RESID 60  AND NAME Hb2 ) 3.00  1.00  2.00 

assign (resid 58  and name HN  ) (resid 56  and name HB1 ) 2.00  0.00  3.00  
assign (resid 58  and name HN  ) (resid 56  and name HB2 ) 2.00  0.00  3.00    
ASSIGN (RESID 58  AND NAME HN  ) (RESID 60  AND NAME HN  ) 2.00  0.00  3.00      
assign (resid 59  and name HN  ) (resid 57  and name Ha  ) 3.50  1.50  0.00 

ASSIGN (RESID 60  AND NAME HN  ) (RESID 56  AND NAME HN  ) 2.00  0.00  3.00  
ASSIGN (RESID 60  AND NAME HN  ) (RESID 56  AND NAME HD21) 2.00  0.00  3.00 
assign (resid 60  and name HN  ) (resid 58  and name HN  ) 2.00  0.00  3.00   
ASSIGN (RESID 60  AND NAME HN  ) (RESID 58  AND NAME HB2 ) 2.00  0.00  3.00 
ASSIGN (RESID 63  AND NAME HA  ) (RESID 61  AND NAME HG2*) 2.00  0.00  4.50 
ASSIGN (RESID 63  AND NAME HN  ) (RESID 61  AND NAME HG2*) 2.00  0.00  4.50  

                                                           
! Long range NOE's 

ASSIGN (RESID 5   AND NAME HA1 ) (RESID 28  AND NAME ND2 ) 2.00  0.00  4.00  
ASSIGN (RESID 5   AND NAME HN  ) (RESID 28  AND NAME ND2 ) 2.00  0.00  4.00
ASSIGN (RESID 6   AND NAME Hn  ) (RESID 28  AND NAME HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 6   AND NAME Hn  ) (RESID 28  AND NAME HB1 ) 2.00  0.00  3.00 
ASSIGN (RESID 6   AND NAME Hn  ) (RESID 28  AND NAME HB2 ) 2.00  0.00  3.00 

ASSIGN (RESID 6   AND NAME HN  ) (RESID 28  AND NAME HD21) 2.00  0.00  3.00  
ASSIGN (RESID 6   AND NAME HN  ) (RESID 28  AND NAME HD22) 2.00  0.00  3.00  

assign (resid 7   and name HA  ) (resid 67  and name HB  ) 2.00  0.00  3.00 
assign (resid 7   and name HA  ) (resid 67  and name CG1 ) 2.00  0.00  4.00 
assign (resid 7   and name HA  ) (resid 67  and name HD* ) 2.00  0.00  4.50 

ASSIGN (RESID 8   AND NAME Ha  ) (RESID 66  AND NAME cb  ) 3.50  1.50  2.50    
ASSIGN (RESID 8   AND NAME HA  ) (RESID 66  AND NAME HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 8   AND NAME HA  ) (RESID 66  AND NAME HB2 ) 2.00  0.00  3.00 
assign (resid 8   and name HA  ) (resid 67  and name HN  ) 2.00  0.00  3.00 

ASSIGN (RESID 9   AND NAME HN  ) (RESID 65  AND NAME HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 9   AND NAME HN  ) (RESID 65  AND NAME cb  ) 2.00  0.00  4.00                                     
ASSIGN (RESID 9   AND NAME Hn  ) (RESID 66  AND NAME Ha  ) 3.50  1.50  0.00 
ASSIGN (RESID 9   AND NAME HN  ) (RESID 66  AND NAME HB1 ) 2.00  0.00  3.00 
ASSIGN (RESID 9   AND NAME Hn  ) (RESID 66  AND NAME Hg* ) 2.00  0.00  4.00 
assign (resid 9   and name hN  ) (resid 66  and name cg  ) 2.00  0.00  4.50 

assign (resid 9   and name HD1 ) (resid 23  and name hG2*) 2.00  0.00  4.50                                      
assign (resid 9   and name hd1 ) (resid 23  and name hd* ) 5.00  3.00  1.50 
    
assign (resid 9  and name HE1  ) (resid 23  and name HB  ) 2.00  0.00  3.00   
assign (resid 9  and name he1  ) (resid 23  and name hg1*) 5.00  3.00  0.50 
assign (resid 9  and name He1  ) (resid 24  and name Ha  ) 4.00  2.00  0.00 

ASSIGN (RESID 9  AND NAME HE1  ) (RESID 27  AND NAME HN  ) 2.00  0.00  3.00  
assign (resid 9  and name He1  ) (resid 27  and name Ha  ) 5.00  3.00  0.00  
assign (resid 9  and name he1  ) (resid 27  and name hb1 ) 4.00  2.00  0.00  
assign (resid 9  and name He1  ) (resid 27  and name Hb2 ) 5.00  3.00  0.00  
assign (resid 9  and name he1  ) (resid 27  and name cg  ) 5.00  3.00  1.00 
       
ASSIGN (RESID 9  AND NAME hz3  ) (RESID 24  AND NAME Hg2*) 3.50  1.50  3.00 
    
assign (resid 9  and name Hz3  ) (resid 51  and name Hg1*) 5.00  3.00  1.50 
assign (resid 9  and name Hz3  ) (resid 51  and name Hg2*) 3.00  1.00  3.50 
assign (resid 9  and name hz3  ) (resid 66  and name ha  ) 3.50  1.50  1.50
ASSIGN (RESID 9  AND NAME HZ3  ) (RESID 67  AND NAME HN  ) 2.00  0.00  3.00 
ASSIGN (RESID 9  AND NAME HZ3  ) (RESID 67  AND NAME HB  ) 2.00  0.00  3.00 
assign (resid 9  and name HZ3  ) (resid 67  and name HG2*) 2.00  0.00  4.50 

ASSIGN (RESID 9  AND NAME HZ3  ) (RESID 67  AND NAME HG11) 2.00  0.00  3.00 
ASSIGN (RESID 9  AND NAME HZ3  ) (RESID 67  AND NAME HG12) 2.00  0.00  3.00 
ASSIGN (RESID 9  AND NAME hz2  ) (RESID 24  AND NAME Hg2*) 3.50  1.50  2.00      
ASSIGN (RESID 9  AND NAME HZ2  ) (RESID 28  AND NAME HN  ) 2.00  0.00  3.00 

ASSIGN (RESID 9  AND NAME hz2  ) (RESID 27  AND NAME Hb1) 3.50  1.50  1.50   
assign (resid 9  and name Hz2  ) (resid 27  and name hb2) 4.00  2.00  0.00 
assign (resid 9  and name Hz2  ) (resid 27  and name cg ) 3.00  1.00  2.00 

ASSIGN (RESID 9  AND NAME hz2  ) (RESID 28  AND NAME Hb1 ) 3.00  1.50  1.00  
assign (resid 9  and name Hz2  ) (resid 28  and name hb2 ) 4.00  2.00  0.00 
ASSIGN (RESID 9  AND NAME HZ2  ) (RESID 28  AND NAME HD21) 2.00  0.00  3.00 
assign (resid 9  and name Hz2  ) (resid 31  and name CB  ) 2.00  0.00  5.50 
assign (resid 9  and name hz2  ) (resid 51  and name hb  ) 3.50  1.50  0.50 

assign (resid 9  and name hh2  ) (resid 24  and name hg2*) 5.00  3.00  0.50       
ASSIGN (RESID 9  AND NAME hh2  ) (RESID 28  AND NAME Hb1 ) 3.50  1.50  0.50     
assign (resid 9  and name hh2  ) (resid 28  and name Hb2 ) 4.00  2.00  0.00
assign (resid 9  and name hh2  ) (resid 28  and name Hd21) 4.00  2.00  1.00
assign (resid 9  and name hh2  ) (resid 28  and name hd22) 3.50  1.50  1.50 

assign (resid 9  and name hh2  ) (resid  31  and name cb  ) 4.00  2.00  3.00 
ASSIGN (RESID 9  AND NAME HH2  ) (RESID  31  AND NAME HG1*) 2.00  0.00  4.50 
assign (resid 9  and name hh2  ) (resid  51  and name cb  ) 5.00  3.00  3.0  
ASSIGN (RESID 9  AND NAME HH2  ) (RESID  51  AND NAME HG1*) 2.00  0.00  4.50 
ASSIGN (RESID 9  AND NAME HH2  ) (RESID  51  AND NAME HG2*) 2.00  0.00  4.50 
ASSIGN (RESID 9  AND NAME HH2  ) (RESID  67  AND NAME HG11) 2.00  0.00  3.00 
assign (resid 9  and name hh2  ) (resid  67  and name hd* ) 3.50  1.50  3.00 

ASSIGN (RESID 9  AND NAME He3 ) (RESID  66  AND NAME Hb* ) 2.00  0.00  4.00 
ASSIGN (RESID 9  AND NAME He3 ) (RESID  66  AND NAME Hg* ) 2.00  0.00  4.00   
assign (resid 9  and name he3 ) (resid  66  and name ha  ) 3.00  1.00  1.00       
ASSIGN (RESID 9  AND NAME he3 ) (RESID  24  AND NAME Hg2*) 3.50  1.50  3.50     
assign (resid 9  and name he3 ) (resid  51  and name cb  ) 5.00  3.00  3.00
ASSIGN (RESID 9  AND NAME HE3 ) (RESID  51  AND NAME HG2*) 2.00  0.00  4.50 

assign (resid 9  and name he3 ) (resid  65  and name cb  ) 3.50  1.50  1.50 
assign (resid 9  and name he3 ) (resid  65  and name cg  ) 3.50  1.50  2.50
ASSIGN (RESID 9  AND NAME HN  ) (RESID  65  AND NAME HB* ) 2.00  0.00  4.00 
assign (resid 9  and name he3 ) (resid  66  and name hN  ) 2.00  0.00  3.00 
assign (resid 9  and name he3 ) (resid  66  and name ha  ) 2.00  0.00  3.00 

ASSIGN (RESID 13  AND NAME HA ) (RESID 61  AND NAME HG2* ) 2.00  0.00  4.50 
ASSIGN (RESID 13  AND NAME Ha ) (RESID  61  AND NAME HB  ) 2.00  0.00  3.00 
ASSIGN (RESID 13  AND NAME Ha ) (RESID  62  AND NAME HA  ) 2.00  0.00  3.00 

ASSIGN (RESID 14  AND NAME HN  ) (RESID 61  AND NAME HN   ) 2.00  0.00  3.00 
ASSIGN (RESID 14  AND NAME HN  ) (RESID 62  AND NAME HG2* ) 2.00  0.00  4.50                      
assign (resid 14  and name Hn  ) (resid 61  and name HB   ) 3.00  1.00  1.00     
ASSIGN (RESID 14  AND NAME Hn  ) (RESID 61  AND NAME Hg1* ) 5.00  3.00  0.50      
ASSIGN (RESID 14  AND NAME Hn  ) (RESID 61  AND NAME HG2* ) 5.00  3.00  1.50

ASSIGN (RESID 15  AND NAME HN  ) (RESID 61   AND NAME HN  ) 2.00  0.00  3.00 
assign (resid 15  and name Hn  ) (resid 61  and name HB   ) 3.00  1.00  0.00     
ASSIGN (RESID 15  AND NAME Hn  ) (RESID 61  AND NAME Hg1* ) 5.00  3.00  1.50 

assign (resid 16  and name Hn  ) (resid 60  and name cg   ) 3.00  1.00  4.20     
assign (resid 17  and name HN  ) (resid  35  and name HD* ) 2.00  0.00  4.50 
ASSIGN (RESID 17  AND NAME Hn  ) (RESID  55  AND NAME Hg2*) 5.00  3.00  1.50 

assign (resid 18  and name HA  ) (resid  35  and name HD* ) 2.00  0.00  4.50 
ASSIGN (RESID 20  AND NAME Ha  ) (RESID 12  AND NAME cb   ) 4.00  2.00  2.00 
ASSIGN (RESID 20  AND NAME HA  ) (RESID 12  AND NAME HD2* ) 2.00  0.00  4.50 
assign (resid 21  and name HN  ) (resid  35  and name HD* ) 2.00  0.00  4.50 

ASSIGN (RESID 21  AND NAME HN  ) (RESID 53  AND NAME HD* ) 2.00  0.00  4.50 
ASSIGN (RESID 21  AND NAME HA  ) (RESID 53  AND NAME HD* ) 2.00  0.00  4.50 
assign (resid 24  and name HA  ) (resid 31  and name HG1*) 2.00  0.00  4.50 
ASSIGN (RESID 24  AND NAME Hd2*) (RESID 33  AND NAME HB* ) 2.00  0.00  4.50 
ASSIGN (RESID 24  AND NAME HG2*) (RESID 33  AND NAME HB* ) 2.00  0.00  4.50 
ASSIGN (RESID 24  AND NAME HD* ) (RESID 33  AND NAME HB* ) 2.00  0.00  4.50 
ASSIGN (RESID 24  AND NAME HB  ) (RESID 51  AND NAME HB  ) 2.00  0.00  3.00 
ASSIGN (RESID 24  AND NAME HB  ) (RESID 51  AND NAME HG2*) 2.00  0.00  4.50 
ASSIGN (RESID 24  AND NAME HG2*) (RESID 51  AND NAME HB  ) 2.00  0.00  4.50 
ASSIGN (RESID 24  AND NAME HG2*) (RESID 51  AND NAME HG1*) 2.00  0.00  4.50 
ASSIGN (RESID 24  AND NAME HG2*) (RESID 51  AND NAME HG2*) 2.00  0.00  4.50 
ASSIGN (RESID 24  AND NAME HD* ) (RESID 51  AND NAME HB  ) 2.00  0.00  3.00 

ASSIGN (RESID 24  AND NAME HD* ) (RESID 53  AND NAME HG11) 2.00  0.00  4.50 
ASSIGN (RESID 24  AND NAME HD* ) (RESID 53  AND NAME HG12) 2.00  0.00  4.50 
ASSIGN (RESID 24  AND NAME HD* ) (RESID 53  AND NAME HD* ) 2.00  0.00  4.50 
assign (resid 25  and name HA  ) (resid 31  and name Cb  ) 2.00  0.00  5.50 
  
ASSIGN (RESID 28  AND NAME HD21) (RESID 6  AND NAME HN  ) 5.00  3.00  0.00     
ASSIGN (RESID 28  AND NAME HD22) (RESID 6  AND NAME Hn  ) 5.00  2.00  0.00
ASSIGN (RESID 28  AND NAME HD21) (RESID 31 AND NAME HG* ) 2.00  0.00  4.50 
ASSIGN (RESID 28  AND NAME HD22) (RESID 31 AND NAME HG* ) 2.00  0.00  4.50  
ASSIGN (RESID 28  AND NAME HD21) (RESID 67  AND NAME Hd*) 5.00  3.00  1.50    
ASSIGN (RESID 28  AND NAME HD22) (RESID 67  AND NAME Hd*) 5.00  2.00  1.50

ASSIGN (RESID 31  AND NAME HA  ) (RESID 49  AND NAME HB1) 2.00  0.00  3.00       
ASSIGN (RESID 31  AND NAME HA  ) (RESID 49  AND NAME HB2) 2.00  0.00  3.00 
assign (resid 31  and name HA  ) (resid 50  and name HA ) 2.00  0.00  3.00 
     
ASSIGN (RESID 32  AND NAME HN  ) (RESID 50  AND NAME Ha  ) 3.50  1.50  0.00
ASSIGN (RESID 33  AND NAME HA  ) (RESID 24  AND NAME HG2*) 2.00  0.00  4.50 
ASSIGN (RESID 33  AND NAME HN  ) (RESID 25  AND NAME Hg1 ) 3.50  1.50  0.50   
ASSIGN (RESID 33  AND NAME HN  ) (RESID 25  AND NAME Hg2 ) 3.50  1.50  0.50 
ASSIGN (RESID 33  AND NAME HA  ) (RESID 51  AND NAME HB  ) 2.00  0.00  3.00 
ASSIGN (RESID 33  AND NAME HA  ) (RESID 51  AND NAME HG2*) 2.00  0.00  4.50 
ASSIGN (RESID 33  AND NAME HA  ) (RESID 53  AND NAME HD* ) 2.00  0.00  4.50   
 
ASSIGN (RESID 34  AND NAME HN  ) (RESID 51  AND NAME HN  ) 2.00  0.00  3.00 
ASSIGN (RESID 34  AND NAME HN  ) (RESID 51  AND NAME HG2*) 2.00  0.00  4.50 
ASSIGN (RESID 34  AND NAME HN  ) (RESID 53  AND NAME HG11) 2.00  0.00  3.00      
ASSIGN (RESID 34  AND NAME HN  ) (RESID 52  AND NAME Ha  ) 3.50  1.50  0.00 
ASSIGN (RESID 34  AND NAME HN  ) (RESID 53  AND NAME HN  ) 2.00  0.00  3.00 
ASSIGN (RESID 35  AND NAME HA  ) (RESID 53  AND NAME HB  ) 2.00  0.00  3.00  
   
ASSIGN (RESID 36  AND NAME HN  ) (RESID 54  AND NAME Ha  ) 3.50  1.50  0.00
ASSIGN (RESID 36  AND NAME HN  ) (RESID 53  AND NAME HN  ) 2.00  0.00  3.00 
ASSIGN (RESID 36  AND NAME HN  ) (RESID 53  AND NAME Hb  ) 3.50  1.50  1.50 
ASSIGN (RESID 36  AND NAME HN  ) (RESID 55  AND NAME HN  ) 2.00  0.00  3.00 

ASSIGN (RESID 37  AND NAME Hn  ) (RESID  55  AND NAME Hg1* ) 2.00  0.00  4.50 
assign (resid 37  and name HA  ) (resid  54  and name HA   ) 2.00  0.00  4.00 
assign (resid 37  and name HA  ) (resid  55  and name HN   ) 2.00  0.00  3.00 
assign (resid 37  and name HA  ) (resid  55  and name HG1* ) 2.00  0.00  4.50 
            
ASSIGN (RESID 38  AND NAME HN  ) (RESID  55  AND NAME HN   ) 2.00  0.00  3.00 
ASSIGN (RESID 38  AND NAME HN  ) (RESID  56  AND NAME Ha   ) 3.50  1.50  0.00  
ASSIGN (RESID 38  AND NAME CG  ) (RESID  56  AND NAME HA   ) 2.00  0.00  4.00  
ASSIGN (RESID 38  AND NAME HN  ) (RESID  55  AND NAME Hg1* ) 3.50  1.50  2.00 

ASSIGN (RESID 47  AND NAME HN  ) (RESID  52  AND NAME HH11 ) 2.00  0.00  3.00  
ASSIGN (RESID 48  AND NAME HN  ) (RESID  3   AND NAME HB2  ) 2.00  0.00  3.00 
ASSIGN (RESID 48  AND NAME HN  ) (RESID  67  AND NAME HG2* ) 2.00  0.00  4.50 
ASSIGN (RESID 48  AND NAME HN  ) (RESID  67  AND NAME HD*  ) 2.00  0.00  4.50 
    
ASSIGN (RESID 49  AND NAME HA  ) (RESID  31  AND NAME HG2* ) 2.00  0.00  4.50  
ASSIGN (RESID 49  AND NAME HA  ) (RESID  31  AND NAME HB   ) 2.00  0.00  3.00   
assign (resid 49  and name HA  ) (resid  31  and name HA   ) 2.00  0.00  3.00 
 
ASSIGN (RESID 50  AND NAME HN  ) (RESID  31  AND NAME Cb   ) 2.00  0.00  5.50 
ASSIGN (RESID 50  AND NAME HA  ) (RESID  31  AND NAME HB   ) 2.00  0.00  3.00 
ASSIGN (RESID 50  AND NAME HN  ) (RESID  31  AND NAME HB   ) 2.00  0.00  3.00 
assign (resid 50  and name HA  ) (resid  32  and name HN   ) 2.00  0.00  2.00 
ASSIGN (RESID 50  AND NAME HH12) (RESID  32  AND NAME HG1  ) 2.00  0.00  3.00 

assign (resid 51  and name HN  ) (resid  24  and name HG2* ) 2.00  0.00  4.50 
ASSIGN (RESID 51  AND NAME HN  ) (RESID  31  AND NAME HG1* ) 2.00  0.00  4.50 
ASSIGN (RESID 51  AND NAME HN  ) (RESID  32  AND NAME HN   ) 2.00  0.00  3.00      
assign (resid 51  and name HN  ) (resid  33  and name HA   ) 2.50  1.00  1.00

ASSIGN (RESID 52  AND NAME HA  ) (RESID  34  AND NAME HN   ) 2.00  0.00  3.00 
ASSIGN (RESID 52  AND NAME HA  ) (RESID  34  AND NAME Cb   ) 2.00  0.00  5.50 
ASSIGN (RESID 52  AND NAME Hg1 ) (RESID  36  AND NAME HD1* ) 2.00  0.00  4.50 
ASSIGN (RESID 52  AND NAME Hg2 ) (RESID  36  AND NAME HD1* ) 2.00  0.00  4.50 
ASSIGN (RESID 52  AND NAME HA  ) (RESID  36  AND NAME HD1* ) 2.00  0.00  4.50 
ASSIGN (RESID 52  AND NAME He  ) (RESID  36  AND NAME cg   ) 5.00  3.00  3.00 
ASSIGN (RESID 52  AND NAME He  ) (RESID  42  AND NAME hg2* ) 5.00  3.00  1.50 
ASSIGN (RESID 52  AND NAME He  ) (RESID  42  AND NAME Hb   ) 2.00  0.00  3.00 
     
ASSIGN (RESID 53  AND NAME Hn  ) (RESID 34  AND NAME Hn  ) 5.00  3.00  0.00     
ASSIGN (RESID 53  AND NAME Hn  ) (RESID 36  AND NAME Hn  ) 3.50  1.50  1.50 
ASSIGN (RESID 53  AND NAME HN  ) (RESID 36  AND NAME HD1*) 2.00  0.00  4.50  
ASSIGN (RESID 53  AND NAME Hn  ) (RESID 35  AND NAME Ha  ) 3.50  1.50  0.00 
ASSIGN (RESID 53  AND NAME HN  ) (RESID 64  AND NAME HD1 ) 2.00  0.00  3.00  

ASSIGN (RESID 54  AND NAME HA  ) (RESID  35  AND NAME HG2*) 2.00  0.00  4.50  
assign (resid 54  and name HA  ) (resid  36  and name HN  ) 2.00  0.00  2.00  
ASSIGN (RESID 54  AND NAME HA  ) (RESID  62  AND NAME HG1*) 2.00  0.00  4.50  

ASSIGN (RESID 54  AND NAME Hn  ) (RESID  62  AND NAME HN  ) 2.00  0.00  3.00  
ASSIGN (RESID 54  AND NAME HN  ) (RESID  62  AND NAME HG1*) 2.00  0.00  4.50  
assign (resid 54  and name HN  ) (resid  64  and name HD1 ) 2.00  0.00  3.00  
assign (resid 54  and name HN  ) (resid  64  and name HD2 ) 2.00  0.00  3.00  
assign (resid 54  and name HB1 ) (resid  62  and name HG1*) 2.00  0.00  4.50  
assign (resid 54  and name HB2 ) (resid  62  and name HG1*) 2.00  0.00  4.50  
ASSIGN (RESID 54  AND NAME HB2 ) (RESID  62  AND NAME HN  ) 2.00  0.00  3.50  
ASSIGN (RESID 54  AND NAME Hb1 ) (RESID  38  AND NAME Ha  ) 2.00  0.00  3.00  
ASSIGN (RESID 54  AND NAME Hb2 ) (RESID  38  AND NAME Ha  ) 2.00  0.00  3.00  
 
assign (resid 54  and name Hh2 ) (resid  36  and name Hg  ) 5.00  3.00  0.00  
assign (resid 54  and name hh2 ) (resid  36  and name hb2 ) 5.00  3.00  0.00 
assign (resid 54  and name hh2 ) (resid  36  and name hb2 ) 5.00  3.00  0.00 
assign (resid 54  and name hh2 ) (resid  36  and name Hd1*) 5.00  3.00  1.50 
assign (resid 54  and name hh2 ) (resid  36  and name hd2*) 5.00  3.00  1.50 
assign (resid 54  and name hh2 ) (resid  38  and name ha  ) 5.00  3.00  0.00
ASSIGN (RESID 54  AND NAME HH2 ) (RESID  39  AND NAME HN  ) 2.00  0.00  3.00  
assign (resid 54  and name hh2 ) (resid  40  and name hn  ) 4.00  2.00  0.00  
ASSIGN (RESID 54  AND NAME HH2 ) (RESID  40  AND NAME HB  ) 2.00  0.00  3.00  
    
ASSIGN (RESID 54  AND NAME HZ3 ) (RESID  36  AND NAME HD2* ) 2.00  0.00  4.50  
assign (resid 54  and name cz3 ) (resid  38  and name ha   ) 5.00  3.00  3.00    
assign (resid 54  and name HZ3 ) (resid  39  and name CA   ) 2.00  0.00  4.50  
assign (resid 54  and name cz3 ) (resid  40  and name hn   ) 4.00  2.00  3.00  
ASSIGN (RESID 54  AND NAME HZ3 ) (RESID  40  AND NAME HB   ) 2.00  0.00  3.00  
ASSIGN (RESID 54  AND NAME HZ3 ) (RESID  40  AND NAME HG*  ) 2.00  0.00  4.50  
 
assign (resid 54  and name he1 ) (resid  36  and name hd1* ) 5.00  3.00  1.50 
assign (resid 54  and name he1 ) (resid  36  and name hd2* ) 5.00  3.00  1.50 
ASSIGN (RESID 54  AND NAME HE3 ) (RESID  36  AND NAME HD2* ) 2.00  0.00  4.50  
ASSIGN (RESID 54  AND NAME HE3 ) (RESID  38  AND NAME HN   ) 2.00  0.00  3.00  
ASSIGN (RESID 54  AND NAME HE3 ) (RESID  38  AND NAME HG*  ) 2.00  0.00  4.00  
ASSIGN (RESID 54  AND NAME HE3 ) (RESID  39  AND NAME HN   ) 2.00  0.00  3.00  
ASSIGN (RESID 54  AND NAME HE3 ) (RESID  40  AND NAME HN   ) 2.00  0.00  3.00  

assign (resid 54  and name HZ2 ) (resid  36  and name hD2* ) 2.00  0.00  4.50   
ASSIGN (RESID 54  AND NAME Hz2 ) (RESID  39  AND NAME Hn   ) 2.00  0.00  3.00  
assign (resid 54  and name HZ2 ) (resid  42  and name hN   ) 2.00  0.00  3.00  
ASSIGN (RESID 54  AND NAME Hz2 ) (RESID  42  AND NAME Hb   ) 2.00  0.00  3.00       
assign (resid 54  and name Hz2 ) (resid  42  and name cb   ) 2.00  0.00  5.50  

ASSIGN (RESID 55  AND NAME HA  ) (RESID  61  AND NAME Hg2*) 2.00  0.00  3.50                           
assign (resid 55  and name HA  ) (resid  61  and name HG1*) 2.00  0.00  4.50  
ASSIGN (RESID 55  AND NAME HA  ) (RESID 62  AND NAME HN   ) 2.00  0.00  2.00   
assign (resid 55  and name Ha  ) (resid 62  and name Hg1* ) 5.00  3.00  1.50   
ASSIGN (RESID 55  AND NAME Ha  ) (RESID 62  AND NAME Hg2* ) 5.00  3.00  1.50  
assign (resid 55  and name Hn  ) (resid 37  and name Ha   ) 5.00  3.00  0.00     
ASSIGN (RESID 55  AND NAME Hn  ) (RESID 38  AND NAME Hn   ) 3.50  1.50  1.50 
ASSIGN (RESID 55  AND NAME Ha  ) (RESID 61  AND NAME Ha   ) 3.00  1.00  0.00

assign (resid 56  and name Ha  ) (resid 38  and name cb  ) 5.00  3.00  1.00   
ASSIGN (RESID 56  AND NAME Ha  ) (RESID 38  AND NAME cg  ) 5.00  3.00  1.00 
ASSIGN (RESID 56  AND NAME Hn  ) (RESID 61  AND NAME Ha  ) 3.00  1.00  2.00
ASSIGN (RESID 56  AND NAME HN  ) (RESID 62  AND NAME HG1*) 2.00  0.00  4.50 
ASSIGN (RESID 56  AND NAME HN  ) (RESID 62  AND NAME HG2*) 2.00  0.00  4.50  
ASSIGN (RESID 56  AND NAME Ha  ) (RESID 62  AND NAME hg2*) 5.00  3.00  1.50 
  
ASSIGN (RESID 56  AND NAME HD21) (RESID 59  AND NAME HN  ) 2.00  0.00  3.00  
ASSIGN (RESID 56  AND NAME HD21) (RESID 60  AND NAME HN  ) 2.00  0.00  3.00   
ASSIGN (RESID 56  AND NAME Hd21) (RESID 62  AND NAME hg1*) 3.00  1.00  3.50  
ASSIGN (RESID 56  AND NAME Hd21) (RESID 62  AND NAME Hg2*) 5.00  3.00  1.50    
ASSIGN (RESID 56  AND NAME Hd21) (RESID 60  AND NAME Hb2 ) 3.00  1.00  2.00  
ASSIGN (RESID 56  AND NAME Hd22) (RESID 62  AND NAME Hg1*) 3.00  1.00  3.50  
ASSIGN (RESID 56  AND NAME Hd22) (RESID 62  AND NAME Hg2*) 3.00  1.00  3.50 
ASSIGN (RESID 56  AND NAME Hd22) (RESID 60  AND NAME Hb2 ) 3.00  1.00  2.00 

ASSIGN (RESID 60  AND NAME HN  ) (RESID 56  AND NAME Hn  ) 3.00  1.00  1.00
ASSIGN (RESID 61  AND NAME HN  ) (RESID 13  AND NAME Ha  ) 5.00  3.00  0.00     
 
ASSIGN (RESID 62  AND NAME HN  ) (RESID 54  AND NAME Hn  ) 3.00  1.00  1.00 
ASSIGN (RESID 62  AND NAME HN  ) (RESID 55  AND NAME Ha  ) 3.00  1.00  0.00    
ASSIGN (RESID 62  AND NAME HN  ) (RESID 55  AND NAME HG2*) 2.00  0.00  4.50 
ASSIGN (RESID 62  AND NAME HN  ) (RESID 56  AND NAME HN  ) 2.00  0.00  3.00 

assign (resid 63  and name HN  ) (resid 13  and name HA  ) 2.00  0.00  3.00 
ASSIGN (RESID 63  AND NAME Ha  ) (RESID 13  AND NAME Hg1*) 3.00  1.00  2.50 
ASSIGN (RESID 63  AND NAME HN  ) (RESID 53  AND NAME HG2*) 2.00  0.00  4.50     
assign (resid 66  and name Hn  ) (resid 51  and name hg1*) 2.50  1.50  4.00    
assign (resid 66  and name HA  ) (resid  8  and name Ha  ) 2.50  1.50  0.00     
ASSIGN (RESID 66  AND NAME HA  ) (RESID  8  AND NAME HB1 ) 2.00  0.00  3.00  
ASSIGN (RESID 66  AND NAME HA  ) (RESID  8  AND NAME HB2 ) 2.00  0.00  3.00 
    
ASSIGN (RESID 67  AND NAME HN  ) (RESID  8   AND NAME Ha  ) 3.50  1.50  0.00 
ASSIGN (RESID 67  AND NAME HA  ) (RESID  51  AND NAME HG1*) 2.00  0.00  4.50    
ASSIGN (RESID 67  AND NAME HA  ) (RESID  51  AND NAME Hg2*) 2.00  0.00  4.50     
assign (resid 68  and name HN  ) (resid  51  and name cb  ) 5.00  3.00  3.00      


!H-bond constraints

ASSIGN (RESID  49 AND NAME O  )  (RESID 32 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  49 AND NAME O  )  (RESID 32 AND NAME HN  ) 1.9 0.3 0.3 
ASSIGN (RESID  51 AND NAME O  )  (RESID 34 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  51 AND NAME O  )  (RESID 34 AND NAME HN  ) 1.9 0.3 0.3
ASSIGN (RESID  34 AND NAME O  )  (RESID 53 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  34 AND NAME O  )  (RESID 53 AND NAME HN  ) 1.9 0.3 0.3           
ASSIGN (RESID  32 AND NAME O  )  (RESID 51 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  32 AND NAME O  )  (RESID 51 AND NAME HN  ) 1.9 0.3 0.3 
ASSIGN (RESID  53 AND NAME O  )  (RESID 36 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  53 AND NAME O  )  (RESID 36 AND NAME HN  ) 1.8 0.3 0.3          
ASSIGN (RESID  36 AND NAME O  )  (RESID 55 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  36 AND NAME O  )  (RESID 55 AND NAME HN  ) 1.9 0.3 0.3
ASSIGN (RESID  55 AND NAME O  )  (RESID 38 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  55 AND NAME O  )  (RESID 38 AND NAME HN  ) 1.9 0.3 0.3          
ASSIGN (RESID   7 AND NAME O  )  (RESID 67 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID   7 AND NAME O  )  (RESID 67 AND NAME HN  ) 1.9 0.3 0.3
ASSIGN (RESID  65 AND NAME O  )  (RESID  9 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  65 AND NAME O  )  (RESID  9 AND NAME HN  ) 1.9 0.3 0.3

ASSIGN (RESID  16 AND NAME O  )  (RESID 20 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  16 AND NAME O  )  (RESID 20 AND NAME HN  ) 1.9 0.3 0.3           
ASSIGN (RESID  17 AND NAME O  )  (RESID 21 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  17 AND NAME O  )  (RESID 21 AND NAME HN  ) 1.9 0.3 0.3 
ASSIGN (RESID  18 AND NAME O  )  (RESID 22 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  18 AND NAME O  )  (RESID 22 AND NAME HN  ) 1.8 0.3 0.3          
ASSIGN (RESID  19 AND NAME O  )  (RESID 23 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  19 AND NAME O  )  (RESID 23 AND NAME HN  ) 1.9 0.3 0.3
ASSIGN (RESID  20 AND NAME O  )  (RESID 24 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  20 AND NAME O  )  (RESID 24 AND NAME HN  ) 1.9 0.3 0.3          
ASSIGN (RESID  21 AND NAME O  )  (RESID 25 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  21 AND NAME O  )  (RESID 25 AND NAME HN  ) 1.9 0.3 0.3
ASSIGN (RESID  22 AND NAME O  )  (RESID 26 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  22 AND NAME O  )  (RESID 26 AND NAME HN  ) 1.9 0.3 0.3
ASSIGN (RESID  23 AND NAME O  )  (RESID 27 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  23 AND NAME O  )  (RESID 27 AND NAME HN  ) 1.9 0.3 0.3 
ASSIGN (RESID  24 AND NAME O  )  (RESID 28 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  24 AND NAME O  )  (RESID 28 AND NAME HN  ) 1.9 0.3 0.3 


ASSIGN (RESID  54 AND NAME O  )  (RESID 62 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  54 AND NAME O  )  (RESID 62 AND NAME HN  ) 1.9 0.3 0.3          
ASSIGN (RESID  56 AND NAME O  )  (RESID 60 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  56 AND NAME O  )  (RESID 60 AND NAME HN  ) 1.9 0.3 0.3
ASSIGN (RESID  60 AND NAME O  )  (RESID 56 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  60 AND NAME O  )  (RESID 56 AND NAME HN  ) 1.9 0.3 0.3
ASSIGN (RESID  62 AND NAME O  )  (RESID 54 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  62 AND NAME O  )  (RESID 54 AND NAME HN  ) 1.9 0.3 0.3 

ASSIGN (RESID  12 AND NAME O  )  (RESID 15 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  12 AND NAME O  )  (RESID 15 AND NAME HN  ) 1.9 0.3 0.3 
ASSIGN (RESID  28 AND NAME O  )  (RESID 31 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  28 AND NAME O  )  (RESID 31 AND NAME HN  ) 1.8 0.3 0.3          
ASSIGN (RESID  47 AND NAME O  )  (RESID 50 AND NAME N  ) 2.7 0.3 0.6          
ASSIGN (RESID  47 AND NAME O  )  (RESID 50 AND NAME HN  ) 1.9 0.3 0.3

           



Torsional angle constraints:
=========================================================================
 
  
    assign (resid  2  and name C ) (resid  3 and name N)
        (resid  3 and name CA) (resid  3 and name C) 10 -65 25.0 2 !5.5Hz
    assign (resid  5  and name C ) (resid  6 and name N)
        (resid  6 and name CA) (resid  6 and name C) 10 -65 25.0 2 !5.5Hz 
  
    assign (resid  17 and name C ) (resid 18 and name N)
        (resid 18 and name CA) (resid 18 and name C) 10 -65 25.0 2 !5.5Hz
    ASSIGN (RESID  18  AND NAME C ) (RESID  19 AND NAME N)
        (RESID 19 AND NAME CA) (RESID 19 AND NAME C) 10 -65 25.0 2 !5.5HZ
    assign (resid  19 and name C ) (resid 20 and name N)
        (resid 20 and name CA) (resid 20 and name C) 10 -65 25.0 2 !5.5Hz
    assign (resid 20  and name C ) (resid 21 and name N)
        (resid 21 and name CA) (resid 21 and name C) 10 -65 25.0 2 !5.5Hz
    assign (resid 21  and name C ) (resid 22 and name N)
        (resid 22 and name CA) (resid 22 and name C) 10 -65 25.0 2 !5.5Hz

    assign (resid 22  and name C ) (resid 23 and name N)
        (resid 23 and name CA) (resid 23 and name C) 10 -65 25.0 2 !5.5Hz
    assign (resid 23  and name C ) (resid 24 and name N)
        (resid 24 and name CA) (resid 24 and name C) 10 -65 25.0 2 !5.5Hz
    assign (resid  24 and name C ) (resid 25 and name N)
        (resid 25 and name CA) (resid 25 and name C) 10 -65 25.0 2 !5.5Hz
    assign (resid 25  and name C ) (resid 26 and name N)
        (resid 26 and name CA) (resid 26 and name C) 10 -65 25.0 2 !5.5Hz
    assign (resid 26  and name C ) (resid 27 and name N)
        (resid 27 and name CA) (resid 27 and name C) 10 -65 25.0 2 !5.5Hz

    assign (resid 39  and name C ) (resid 40 and name N)
        (resid 40 and name CA) (resid 40 and name C) 10 -65 25.0 2 !5.5Hz
    assign (resid 47  and name C ) (resid 48 and name N)
        (resid 48 and name CA) (resid 48 and name C) 10 -65 25.0 2 !5.5Hz  
    assign (resid 56  and name C ) (resid 57 and name N)
        (resid 57 and name CA) (resid 57 and name C) 10 -65 25.0 2 !5.5Hz
    assign (resid 57  and name C ) (resid 58 and name N)
        (resid 58 and name CA) (resid 58 and name C) 10 -65 25.0 2 !5 Hz
    assign (resid 62  and name C ) (resid 63 and name N)
        (resid 63 and name CA) (resid 63 and name C) 10 -65 25.0 2 !5 Hz


    assign (resid  7  and name C ) (resid  8 and name N)
        (resid  8 and name CA) (resid  8 and name C)  10 -120 40.0 2 !9 Hz
    assign (resid  8  and name C ) (resid  9 and name N)
        (resid  9 and name CA) (resid  9 and name C)  10 -120 40.0 2 !9 Hz
    assign (resid 10  and name C ) (resid 11 and name N)
        (resid 11 and name CA) (resid 11 and name C)  10 -120 40.0 2 !9 Hz
    assign (resid 11  and name C ) (resid 12 and name N)
        (resid 12 and name CA) (resid 12 and name C)  10 -120 40.0 2 !9 Hz
    assign (resid 14  and name C ) (resid 15 and name N)
        (resid 15 and name CA) (resid 15 and name C)  10 -120 40.0 2 !9 Hz

    assign (resid 27  and name C ) (resid 28 and name N)
        (resid 28 and name CA) (resid 28 and name C)  10 -120 40.0 2 !9 Hz 
    assign (resid 29  and name C ) (resid 30 and name N)
        (resid 30 and name CA) (resid 30 and name C)  10 -120 40.0 2 !9 Hz   
    assign (resid 30  and name C ) (resid 31 and name N)
        (resid 31 and name CA) (resid 31 and name C)  10 -120 40.0 2 !9 Hz
    
    assign (resid 32  and name C ) (resid 33 and name N)
        (resid 33 and name CA) (resid 33 and name C)  10 -120 40.0 2 !9 Hz
    ASSIGN (RESID 33  AND NAME C ) (RESID 34 AND NAME N)
        (RESID 34 AND NAME CA) (RESID 34 AND NAME C)  10 -120 40.0 2 !9 HZ
    ASSIGN (RESID 34  AND NAME C ) (RESID 35 AND NAME N)
        (RESID 35 AND NAME CA) (RESID 35 AND NAME C)  10 -120 40.0 2 !9 HZ
    assign (resid 35  and name C ) (resid 36 and name N)
        (resid 36 and name CA) (resid 36 and name C)  10 -120 40.0 2 !9 Hz

    assign (resid 46  and name C ) (resid 47 and name N)
        (resid 47 and name CA) (resid 47 and name C)  10 -120 40.0 2 !9 Hz  
    assign (resid 48  and name C ) (resid 49 and name N)
        (resid 49 and name CA) (resid 49 and name C)  10 -120 40.0 2 !9 Hz
    assign (resid 49  and name C ) (resid 50 and name N)
        (resid 50 and name CA) (resid 50 and name C)  10 -120 40.0 2 !9 Hz
    assign (resid 50  and name C ) (resid 51 and name N)
        (resid 51 and name CA) (resid 51 and name C)  10 -120 40.0 2 !9 Hz

    assign (resid 51  and name C ) (resid 52 and name N)
        (resid 52 and name CA) (resid 52 and name C)  10 -120 40.0 2 !9 Hz
    assign (resid 52  and name C ) (resid 53 and name N)
        (resid 53 and name CA) (resid 53 and name C)  10 -120 40.0 2 !9 Hz
    assign (resid 53  and name C ) (resid 54 and name N)
        (resid 54 and name CA) (resid 54 and name C)  10 -120 40.0 2 !9 Hz
    assign (resid 54  and name C ) (resid 55 and name N)
        (resid 55 and name CA) (resid 55 and name C)  10 -120 40.0 2 !9 Hz
    assign (resid 55  and name C ) (resid 56 and name N)
        (resid 56 and name CA) (resid 56 and name C)  10 -120 40.0 2 !9 Hz
    
    assign (resid 59  and name C ) (resid 60 and name N)
        (resid 60 and name CA) (resid 60 and name C)  10 -120 40.0 2 !9 Hz   
    assign (resid 61  and name C ) (resid 62 and name N)
        (resid 62 and name CA) (resid 62 and name C)  10 -120 40.0 2 !9 Hz   
    assign (resid 62  and name C ) (resid 63 and name N)
        (resid 63 and name CA) (resid 63 and name C)  10 -120 40.0 2 !9 Hz
    assign (resid 65  and name C ) (resid 66 and name N)
        (resid 66 and name CA) (resid 66 and name C)  10 -120 40.0 2 !9 Hz   
    assign (resid 66  and name C ) (resid 67 and name N)
        (resid 67 and name CA) (resid 67 and name C)  10 -120 40.0 2 !9 Hz

     
!residues HN to alpha of previous residue is stronger than to its own alpha

    assign (resid  6  and name C ) (resid  7 and name N)
        (resid  7 and name CA) (resid  7 and name C)  10 -90 70.0 2  

    assign (resid 36  and name C ) (resid 37 and name N)
        (resid 37 and name CA) (resid 37 and name C)  10 -90 70.0 2  
    assign (resid 37  and name C ) (resid 38 and name N)
        (resid 38 and name CA) (resid 38 and name C)  10 -90 70.0 2 
    assign (resid 41  and name C ) (resid 42 and name N)
        (resid 42 and name CA) (resid 42 and name C)  10 -90 70.0 2 
 
    assign (resid 42  and name C ) (resid 43 and name N)
        (resid 43 and name CA) (resid 43 and name C)  10 -90 70.0 2
    assign (resid 43  and name C ) (resid 44 and name N)
        (resid 44 and name CA) (resid 44 and name C)  10 -90 70.0 2  
    assign (resid 45  and name C ) (resid 46 and name N)
        (resid 46 and name CA) (resid 46 and name C)  10 -90 70.0 2  
   
    assign (resid 66  and name C ) (resid 67 and name N)
        (resid 67 and name CA) (resid 67 and name C)  10 -90 70.0 2  
    assign (resid 67  and name C ) (resid 68 and name N)
        (resid 68 and name CA) (resid 68 and name C)  10 -90 70.0 2 
    assign (resid 65  and name C ) (resid 66 and name N)
        (resid 66 and name CA) (resid 66 and name C)  10 -90 70.0 2
  
! Chi1 angles
  
    ASSIGN (RESID 3   AND NAME N ) (RESID 3  AND NAME CA )
      (RESID 3  AND NAME CB) (RESID 3  AND NAME sG) 10 -60 30.0 2   
    ASSIGN (RESID 9  AND NAME N ) (RESID 9 AND NAME CA )
      (resid   9 and name CB) (resid 9 and name CG) 10 -60 30.0 2  
    ASSIGN (RESID 25  AND NAME N ) (RESID 25 AND NAME CA )
      (RESID 25 AND NAME CB) (RESID 25 AND NAME cG) 10 -60 30.0 2 
    ASSIGN (RESID 30  AND NAME N ) (RESID 30 AND NAME CA )
      (RESID 30 AND NAME CB) (RESID 30 AND NAME CG) 10 -60 30.0 2  
    ASSIGN (RESID 48  AND NAME N ) (RESID 48 AND NAME CA )
      (resid 48 and name CB) (resid 48 and name sG) 10 -60 30.0 2
 
    ASSIGN (RESID 50  AND NAME N ) (RESID 50 AND NAME CA )
      (resid 50 and name CB) (resid 50 and name CG) 10 -60 30.0 2       
    ASSIGN (RESID 52  AND NAME N ) (RESID 52 AND NAME CA )
      (RESID 52 AND NAME CB) (RESID 52 AND NAME CG) 10 180 30.0 2  
    ASSIGN (RESID 54  AND NAME N ) (RESID 54 AND NAME CA )
      (resid 54 and name CB) (resid 54 and name CG) 10 -60 30.0 2
    ASSIGN (RESID 58  AND NAME N ) (RESID 58 AND NAME CA )
      (resid 58 and name CB) (resid 58 and name CG) 10 -60 30.0 2 
    ASSIGN (RESID 60  AND NAME N ) (RESID 60 AND NAME CA )
      (resid 60 and name CB) (resid 60 and name CG) 10 -60 30.0 2

    ASSIGN (RESID  6  AND NAME N ) (RESID  6 AND NAME CA )
      (RESID  6 AND NAME CB) (RESID 6 AND NAME CG) 10  180 30.0 2  
    ASSIGN (RESID 21  AND NAME N ) (RESID 21 AND NAME CA )
      (resid 21 and name CB) (resid 21 and name CG) 10 180 30.0 2
    ASSIGN (RESID 27  AND NAME N ) (RESID 27 AND NAME CA )
      (RESID 27 AND NAME CB) (RESID 27 AND NAME cG) 10 -60 30.0 2  
    ASSIGN (RESID 28  AND NAME N ) (RESID 28 AND NAME CA )
      (resid 28 and name CB) (resid 28 and name CG) 10 180 30.0 2       
    ASSIGN (RESID 50  AND NAME ca) (RESID 50 AND NAME cb )
      (RESID 50 AND NAME cg) (RESID 50 AND NAME Cd) 10 180 30.0 2
   ASSIGN (RESID 36  AND NAME n ) (RESID 36 AND NAME ca )
      (RESID 36 AND NAME cb) (RESID 36 AND NAME Cg) 10  -60 30.0 2    
    ASSIGN (RESID 49  AND NAME N ) (RESID 49 AND NAME CA )
      (RESID 49 AND NAME CB) (RESID 49 AND NAME CG) 10  60 30.0 2   
    ASSIGN (RESID 56  AND NAME N ) (RESID 56 AND NAME CA )
      (RESID 56 AND NAME CB) (RESID 56 AND NAME CG) 10  60 30.0 2

! 6 and 21 and 52 chi angles
 
    ASSIGN (RESID 6  AND NAME ca ) (RESID 6 AND NAME cb )
      (RESID 6 AND NAME cg ) (RESID 6  AND NAME Cd) 10  180 30.0 2         
    ASSIGN (RESID 6  AND NAME cb ) (RESID 6 AND NAME cg )
      (RESID 6 AND NAME cd ) (RESID 6  AND NAME ce) 10  180 30.0 2               
    ASSIGN (RESID 6  AND NAME cg ) (RESID 6 AND NAME cd )
      (RESID 6 AND NAME ce ) (RESID 6  AND NAME nz) 10  -60 30.0 2  
          
    ASSIGN (RESID 21  AND NAME ca ) (RESID 21 AND NAME cb )
      (RESID 21 AND NAME cg ) (RESID 21  AND NAME Cd) 10  180 30.0 2            
    ASSIGN (RESID 21  AND NAME cb ) (RESID 21 AND NAME cg )
      (RESID 21 AND NAME cd ) (RESID 21  AND NAME ce) 10  180 30.0 2              
    ASSIGN (RESID 21  AND NAME cg ) (RESID 21 AND NAME cd )
      (RESID 21 AND NAME ce ) (RESID 21  AND NAME nz) 10   60 30.0 2  
       
    ASSIGN (RESID 52  AND NAME ca ) (RESID 52 AND NAME cb )
      (RESID 52 AND NAME cg ) (RESID 52  AND NAME Cd) 10   60 30.0 2          
    ASSIGN (RESID 52  AND NAME cb ) (RESID 52 AND NAME cg )
      (RESID 52 AND NAME cd ) (RESID 52  AND NAME ne) 10  180 30.0 2           
    ASSIGN (RESID 52  AND NAME cg ) (RESID 52 AND NAME cd )
      (RESID 52 AND NAME ne ) (RESID 52  AND NAME cz) 10  -60 30.0 2 

! Isoleucine residues

    ASSIGN (RESID 23  AND NAME N ) (RESID 23 AND NAME CA )
      (RESID 23 AND NAME CB) (RESID 23 AND NAME CG1) 10  -60 30.0 2    
    ASSIGN (RESID 23  AND NAME ca ) (RESID 23 AND NAME cb )
      (RESID 23 AND NAME cg1) (RESID 23 AND NAME Cd) 10  180 30.0 2
    
    ASSIGN (RESID 24  AND NAME N ) (RESID 24 AND NAME CA )
      (RESID 24 AND NAME CB) (RESID 24 AND NAME CG1) 10  -60 30.0 2    
    ASSIGN (RESID 24  AND NAME ca ) (RESID 24 AND NAME cb )
      (RESID 24 AND NAME cg1) (RESID 24 AND NAME Cd) 10  180 30.0 2
   
    ASSIGN (RESID 35  AND NAME N ) (RESID 35 AND NAME CA )
      (RESID 35 AND NAME CB) (RESID 35 AND NAME CG1) 10  -60 30.0 2
    ASSIGN (RESID 35  AND NAME ca ) (RESID 35 AND NAME cb )
      (RESID 35 AND NAME cg1) (RESID 35 AND NAME Cd) 10  180 30.0 2
      
    ASSIGN (RESID 53  AND NAME N ) (RESID 53 AND NAME CA )
      (RESID 53 AND NAME CB) (RESID 53 AND NAME CG1) 10  -60 30.0 2         
    ASSIGN (RESID 53  AND NAME ca ) (RESID 53 AND NAME cb )
      (RESID 53 AND NAME cg1) (RESID 53 AND NAME Cd) 10  180 30.0 2
   
  
! Valines
 
    ASSIGN (RESID 13  AND NAME N ) (RESID 13 AND NAME CA )
      (RESID 13 AND NAME CB) (RESID 13 AND NAME CG1 ) 10 -60 30.0 2 
    ASSIGN (RESID 15  AND NAME N ) (RESID 15 AND NAME CA )
      (RESID 15 AND NAME CB) (RESID 15 AND NAME CG1 ) 10 -60 30.0 2 
    ASSIGN (RESID 19  AND NAME N ) (RESID 19 AND NAME CA )
      (RESID 19 AND NAME CB) (RESID 19 AND NAME CG1 ) 10 -60 30.0 2 
    ASSIGN (RESID 31  AND NAME N ) (RESID 31 AND NAME CA )
      (RESID 31 AND NAME CB) (RESID 31 AND NAME CG1 ) 10  60 30.0 2
    ASSIGN (RESID 34  AND NAME N ) (RESID 34 AND NAME CA )
      (RESID 34 AND NAME CB) (RESID 34 AND NAME CG1 ) 10 -60 30.0 2 
    ASSIGN (RESID 42  AND NAME N ) (RESID 42 AND NAME CA )
      (RESID 42 AND NAME CB) (RESID 42 AND NAME CG1 ) 10  60 30.0 2  
    ASSIGN (RESID 51  AND NAME N ) (RESID 51 AND NAME CA )
      (RESID 51 AND NAME CB) (RESID 51 AND NAME CG1 ) 10 -60 30.0 2    
    ASSIGN (RESID 55  AND NAME N ) (RESID 55 AND NAME CA )
      (RESID 55 AND NAME CB) (RESID 55 AND NAME CG1 ) 10  60 30.0 2
     ASSIGN (RESID 62  AND NAME N ) (RESID 62 AND NAME CA )
      (RESID 62 AND NAME CB) (RESID 62 AND NAME CG1 ) 10  60 30.0 2
 
    ASSIGN (RESID 61  AND NAME N ) (RESID 61 AND NAME CA )
      (RESID 61 AND NAME CB) (RESID 61 AND NAME CG1 ) 10 -60 30.0 2    
    
! proline omega angles
  
    assign (resid  3  and name O ) (resid  3 and name C)
      (resid  4 and name N ) (resid  4 and name CD) 10 180  5.0 2  
    assign (resid  9  and name O ) (resid  9 and name C)
      (resid 10 and name N ) (resid 10 and name CD) 10 180  5.0 2
    assign (resid 28  and name O ) (resid 28 and name C)
      (resid 29 and name N ) (resid 29 and name CD) 10 180  5.0 2 
    assign (resid 40  and name O ) (resid 40 and name C)
      (resid 41 and name N ) (resid 41 and name CD) 10 180  5.0 2 
    assign (resid 63  and name O ) (resid 63 and name C)
      (resid 64 and name N ) (resid 64 and name CD) 10 180  5.0 2
    assign (resid 64  and name O ) (resid 64 and name C)
      (resid 65 and name N ) (resid 65 and name CD) 10 180  5.0 2
 
!proline ring

    assign (resid  4  and name n ) (resid  4 and name Ca)
      (resid  4 and name cb ) (resid 4 and name Cg) 10 -22  15.0 2 !up
    assign (resid  4  and name ca ) (resid 4 and name Cb)
      (resid  4 and name cg ) (resid 4 and name Cd) 10  33  15.0 2 !up
    assign (resid  4  and name cb ) (resid 4 and name Cg)
      (resid  4 and name cd ) (resid  4 and name n) 10 -31  15.0 2 !up
   
    assign (resid 29  and name  n ) (resid 29 and name Ca)
      (resid 29 and name cb ) (resid 29 and name Cg) 10 -22  15.0 2 !up 
    assign (resid 29  and name ca ) (resid 29 and name Cb)
      (resid 29 and name cg ) (resid 29 and name Cd) 10  33  15.0 2 !up
    assign (resid 29  and name cb ) (resid 29 and name Cg)
      (resid 29 and name cd ) (resid 29 and name n) 10  -31  15.0 2 !up
   
    assign (resid 41  and name n ) (resid 41 and name Ca)
      (resid 41 and name cb ) (resid 41 and name Cg) 10 -22  15.0 2 !up 
    assign (resid 41  and name ca ) (resid 41 and name Cb)
      (resid 41 and name cg ) (resid 41 and name Cd) 10  33  15.0 2 !up
    assign (resid 41  and name cb ) (resid 41 and name Cg)
      (resid 41 and name cd ) (resid 41 and name n)  10 -31  15.0 2 !up
   
    assign (resid 64  and name n ) (resid 64 and name Ca)
      (resid 64 and name cb ) (resid 64 and name Cg) 10 -22  15.0 2 !up 
    assign (resid 64  and name ca ) (resid 64 and name Cb)
      (resid 64 and name cg ) (resid 64 and name Cd) 10  33  15.0 2 !up
    assign (resid 64  and name cb ) (resid 64 and name Cg)
      (resid 64 and name cd ) (resid 64 and name n)  10 -31  15.0 2 !up
     
    assign (resid 65  and name n ) (resid 65 and name Ca)
      (resid 65 and name cb ) (resid 65 and name Cg) 10 -22  15.0 2 !up 
    assign (resid 65  and name ca ) (resid 65 and name Cb)
      (resid 65 and name cg ) (resid 65 and name Cd) 10  33  15.0 2 !up
    assign (resid 65  and name cb ) (resid 65 and name Cg)
      (resid 65 and name cd ) (resid 65 and name n)  10 -31  15.0 2 !up
       
    assign (resid 10  and name n ) (resid 10 and name Ca)
      (resid 10 and name cb ) (resid 10 and name Cg) 10  26  15.0 2 !down 
    assign (resid 10  and name ca ) (resid 10 and name Cb)
      (resid 10 and name cg ) (resid 10 and name Cd) 10 -33  15.0 2 !down
    assign (resid 10  and name cb ) (resid 10 and name Cg)
      (resid 10 and name cd ) (resid 10 and name n)  10  26  15.0 2 !down
  
 
 

  Entry H atom name         Submitted Coord H atom name
    1   1H    GLY   1          1H        GLY   1  -1.590 -16.002  -8.026
    2   2H    GLY   1          2H        GLY   1  -2.128 -17.046  -6.800
    3   3H    GLY   1          3H        GLY   1  -2.337 -17.472  -8.430
    4   1HA   GLY   1          1HA       GLY   1  -4.402 -16.726  -8.056
    5   2HA   GLY   1          2HA       GLY   1  -3.856 -15.644  -6.762
    6    H    SER   1           H        SER   1  -5.595 -14.691  -8.745
    7    HA   SER   1           HA       SER   1  -3.817 -13.150 -10.558
    8   1HB   SER   1          1HB       SER   1  -5.921 -12.740 -11.864
    9   2HB   SER   1          2HB       SER   1  -5.847 -14.479 -11.466
   10    HG   SER   1           HG       SER   1  -7.283 -14.191  -9.901
   11    H    SER   2           H        SER   2  -6.538 -11.433 -10.576
   12    HA   SER   2           HA       SER   2  -5.513  -9.603  -8.472
   13   1HB   SER   2          1HB       SER   2  -7.063  -7.937  -9.818
   14   2HB   SER   2          2HB       SER   2  -5.643  -8.562 -10.701
   15    HG   SER   2           HG       SER   2  -7.913 -10.153 -10.637
   16    H    CYS   3           H        CYS   3  -6.667  -9.478  -6.621
   17    HA   CYS   3           HA       CYS   3  -9.278 -10.765  -6.468
   18   1HB   CYS   3          1HB       CYS   3  -7.616  -9.204  -4.444
   19   2HB   CYS   3          2HB       CYS   3  -9.090 -10.063  -4.037
   20    HA   PRO   4           HA       PRO   4 -12.043  -7.423  -6.656
   21   1HB   PRO   4          1HB       PRO   4 -12.755  -7.451  -3.767
   22   2HB   PRO   4          2HB       PRO   4 -13.769  -7.859  -5.159
   23   1HG   PRO   4          1HG       PRO   4 -12.743  -9.730  -3.371
   24   2HG   PRO   4          2HG       PRO   4 -13.270 -10.104  -5.019
   25   1HD   PRO   4          1HD       PRO   4 -10.503  -9.910  -3.952
   26   2HD   PRO   4          2HD       PRO   4 -11.090 -10.728  -5.427
   27    H    GLY   5           H        GLY   5 -12.141  -5.151  -6.327
   28   1HA   GLY   5          1HA       GLY   5 -11.581  -3.094  -5.271
   29   2HA   GLY   5          2HA       GLY   5 -10.527  -3.986  -4.161
   30    H    LYS   6           H        LYS   6  -9.431  -1.741  -5.227
   31    HA   LYS   6           HA       LYS   6  -8.242  -1.806  -7.733
   32   1HB   LYS   6          1HB       LYS   6  -8.090  -0.073  -5.741
   33   2HB   LYS   6          2HB       LYS   6  -6.634  -0.973  -5.300
   34   1HG   LYS   6          1HG       LYS   6  -5.486  -0.330  -7.202
   35   2HG   LYS   6          2HG       LYS   6  -6.961  -0.180  -8.165
   36   1HD   LYS   6          1HD       LYS   6  -7.482   1.754  -6.396
   37   2HD   LYS   6          2HD       LYS   6  -5.717   1.792  -6.294
   38   1HE   LYS   6          1HE       LYS   6  -6.997   1.687  -9.011
   39   2HE   LYS   6          2HE       LYS   6  -6.939   3.234  -8.148
   40   1HZ   LYS   6          1HZ       LYS   6  -4.449   2.186  -7.851
   41   2HZ   LYS   6          2HZ       LYS   6  -4.861   1.805  -9.454
   42   3HZ   LYS   6          3HZ       LYS   6  -4.908   3.419  -8.926
   43    H    SER   7           H        SER   7  -6.852  -3.193  -8.693
   44    HA   SER   7           HA       SER   7  -5.543  -5.224  -6.997
   45   1HB   SER   7          1HB       SER   7  -5.245  -5.263  -9.997
   46   2HB   SER   7          2HB       SER   7  -5.721  -6.588  -8.901
   47    HG   SER   7           HG       SER   7  -7.702  -5.541  -8.616
   48    H    SER   8           H        SER   8  -4.814  -2.307  -8.612
   49    HA   SER   8           HA       SER   8  -2.015  -2.571  -7.848
   50   1HB   SER   8          1HB       SER   8  -1.173  -2.202 -10.211
   51   2HB   SER   8          2HB       SER   8  -2.143  -3.697 -10.123
   52    HG   SER   8           HG       SER   8  -3.333  -2.719 -11.552
   53    H    TRP   9           H        TRP   9  -1.109  -0.558  -7.489
   54    HA   TRP   9           HA       TRP   9  -2.919   1.740  -7.965
   55   1HB   TRP   9          1HB       TRP   9  -0.642   1.108  -6.079
   56   2HB   TRP   9          2HB       TRP   9  -1.012   2.801  -6.402
   57    HD1  TRP   9           HD1      TRP   9  -2.929   3.844  -4.962
   58    HE1  TRP   9           HE1      TRP   9  -4.675   2.803  -3.459
   59    HE3  TRP   9           HE3      TRP   9  -2.099  -0.921  -6.012
   60    HZ2  TRP   9           HZ2      TRP   9  -5.585   0.089  -2.690
   61    HZ3  TRP   9           HZ3      TRP   9  -3.372  -2.748  -4.970
   62    HH2  TRP   9           HH2      TRP   9  -5.128  -2.242  -3.326
   63    HA   PRO  10           HA       PRO  10  -0.377   3.540 -11.004
   64   1HB   PRO  10          1HB       PRO  10  -0.312   6.223 -10.084
   65   2HB   PRO  10          2HB       PRO  10  -1.606   5.510 -11.060
   66   1HG   PRO  10          1HG       PRO  10  -1.589   6.146  -8.160
   67   2HG   PRO  10          2HG       PRO  10  -2.967   5.933  -9.250
   68   1HD   PRO  10          1HD       PRO  10  -2.073   4.041  -7.344
   69   2HD   PRO  10          2HD       PRO  10  -3.187   3.705  -8.699
   70    H    HIS  11           H        HIS  11   0.718   6.071  -8.934
   71    HA   HIS  11           HA       HIS  11   3.178   4.606  -8.215
   72   1HB   HIS  11          1HB       HIS  11   3.203   5.929 -10.553
   73   2HB   HIS  11          2HB       HIS  11   3.478   7.321  -9.506
   74    HD1  HIS  11           HD1      HIS  11   4.900   3.960  -8.867
   75    HD2  HIS  11           HD2      HIS  11   6.200   7.643 -10.001
   76    HE1  HIS  11           HE1      HIS  11   7.337   3.835  -8.810
   77    H    LEU  12           H        LEU  12   2.246   4.946  -6.069
   78    HA   LEU  12           HA       LEU  12   2.079   7.747  -5.168
   79   1HB   LEU  12          1HB       LEU  12   1.757   5.766  -3.050
   80   2HB   LEU  12          2HB       LEU  12   0.533   6.843  -3.732
   81    HG   LEU  12           HG       LEU  12   1.433   4.355  -5.203
   82   1HD1  LEU  12          1HD1      LEU  12  -0.451   4.733  -2.877
   83   2HD1  LEU  12          2HD1      LEU  12  -0.964   3.641  -4.164
   84   3HD1  LEU  12          3HD1      LEU  12   0.533   3.327  -3.285
   85   1HD2  LEU  12          1HD2      LEU  12  -0.354   6.553  -5.679
   86   2HD2  LEU  12          2HD2      LEU  12  -0.044   5.160  -6.716
   87   3HD2  LEU  12          3HD2      LEU  12  -1.320   5.088  -5.500
   88    H    VAL  13           H        VAL  13   4.572   5.778  -5.683
   89    HA   VAL  13           HA       VAL  13   5.931   5.752  -3.160
   90    HB   VAL  13           HB       VAL  13   6.834   5.549  -6.071
   91   1HG1  VAL  13          1HG1      VAL  13   8.421   5.624  -3.479
   92   2HG1  VAL  13          2HG1      VAL  13   9.014   4.683  -4.848
   93   3HG1  VAL  13          3HG1      VAL  13   8.790   6.425  -5.006
   94   1HG2  VAL  13          1HG2      VAL  13   5.596   3.742  -4.460
   95   2HG2  VAL  13          2HG2      VAL  13   6.747   3.278  -5.712
   96   3HG2  VAL  13          3HG2      VAL  13   7.277   3.420  -4.036
   97    H    GLY  14           H        GLY  14   6.957   7.385  -2.130
   98   1HA   GLY  14          1HA       GLY  14   8.290   9.348  -1.959
   99   2HA   GLY  14          2HA       GLY  14   8.022   9.644  -3.686
  100    H    VAL  15           H        VAL  15   5.088   8.839  -2.458
  101    HA   VAL  15           HA       VAL  15   4.332  11.688  -2.270
  102    HB   VAL  15           HB       VAL  15   2.352   9.396  -2.202
  103   1HG1  VAL  15          1HG1      VAL  15   2.531  12.268  -3.089
  104   2HG1  VAL  15          2HG1      VAL  15   1.442  11.218  -3.995
  105   3HG1  VAL  15          3HG1      VAL  15   1.208  11.446  -2.262
  106   1HG2  VAL  15          1HG2      VAL  15   4.396   9.434  -4.071
  107   2HG2  VAL  15          2HG2      VAL  15   2.817   8.687  -4.315
  108   3HG2  VAL  15          3HG2      VAL  15   3.114  10.327  -4.890
  109    H    GLY  16           H        GLY  16   5.556   9.782  -0.162
  110   1HA   GLY  16          1HA       GLY  16   5.493   9.859   2.186
  111   2HA   GLY  16          2HA       GLY  16   4.084  10.927   2.066
  112    H    GLY  17           H        GLY  17   4.852   8.150   3.430
  113   1HA   GLY  17          1HA       GLY  17   3.160   6.142   2.487
  114   2HA   GLY  17          2HA       GLY  17   3.567   6.361   4.198
  115    H    SER  18           H        SER  18   2.372   9.044   4.311
  116    HA   SER  18           HA       SER  18  -0.257   8.319   5.097
  117   1HB   SER  18          1HB       SER  18  -0.450  11.045   4.769
  118   2HB   SER  18          2HB       SER  18   0.513  10.344   6.099
  119    HG   SER  18           HG       SER  18   1.612  11.840   4.592
  120    H    VAL  19           H        VAL  19   0.614  10.516   2.399
  121    HA   VAL  19           HA       VAL  19  -1.876  10.562   1.161
  122    HB   VAL  19           HB       VAL  19   0.819  10.425  -0.291
  123   1HG1  VAL  19          1HG1      VAL  19  -1.268  10.455  -1.701
  124   2HG1  VAL  19          2HG1      VAL  19  -1.804  11.903  -0.848
  125   3HG1  VAL  19          3HG1      VAL  19  -0.367  11.962  -1.869
  126   1HG2  VAL  19          1HG2      VAL  19   0.198  12.106   1.806
  127   2HG2  VAL  19          2HG2      VAL  19   1.340  12.494   0.520
  128   3HG2  VAL  19          3HG2      VAL  19  -0.329  13.053   0.416
  129    H    ALA  20           H        ALA  20   0.779   8.241   0.602
  130    HA   ALA  20           HA       ALA  20  -0.501   6.695  -1.373
  131   1HB   ALA  20          1HB       ALA  20   1.581   6.172   0.757
  132   2HB   ALA  20          2HB       ALA  20   0.966   4.801  -0.166
  133   3HB   ALA  20          3HB       ALA  20   1.765   6.136  -0.997
  134    H    LYS  21           H        LYS  21  -0.621   6.423   2.175
  135    HA   LYS  21           HA       LYS  21  -2.232   4.096   2.284
  136   1HB   LYS  21          1HB       LYS  21  -1.213   4.875   4.324
  137   2HB   LYS  21          2HB       LYS  21  -1.876   6.501   4.122
  138   1HG   LYS  21          1HG       LYS  21  -4.013   5.866   4.795
  139   2HG   LYS  21          2HG       LYS  21  -3.770   4.180   4.321
  140   1HD   LYS  21          1HD       LYS  21  -1.974   4.097   6.169
  141   2HD   LYS  21          2HD       LYS  21  -2.681   5.608   6.753
  142   1HE   LYS  21          1HE       LYS  21  -3.626   3.381   7.727
  143   2HE   LYS  21          2HE       LYS  21  -4.794   4.590   7.167
  144   1HZ   LYS  21          1HZ       LYS  21  -4.637   3.364   4.966
  145   2HZ   LYS  21          2HZ       LYS  21  -3.940   2.099   5.859
  146   3HZ   LYS  21          3HZ       LYS  21  -5.509   2.634   6.227
  147    H    ALA  22           H        ALA  22  -3.160   7.546   2.294
  148    HA   ALA  22           HA       ALA  22  -5.940   7.185   2.468
  149   1HB   ALA  22          1HB       ALA  22  -4.089   9.297   1.876
  150   2HB   ALA  22          2HB       ALA  22  -5.327   9.337   0.621
  151   3HB   ALA  22          3HB       ALA  22  -5.788   9.466   2.318
  152    H    ILE  23           H        ILE  23  -3.776   6.923  -0.313
  153    HA   ILE  23           HA       ILE  23  -5.821   6.819  -2.300
  154    HB   ILE  23           HB       ILE  23  -3.094   5.439  -2.333
  155   1HG1  ILE  23          1HG1      ILE  23  -3.898   8.321  -2.429
  156   2HG1  ILE  23          2HG1      ILE  23  -2.439   7.584  -1.758
  157   1HG2  ILE  23          1HG2      ILE  23  -5.187   5.639  -4.222
  158   2HG2  ILE  23          2HG2      ILE  23  -4.049   6.894  -4.713
  159   3HG2  ILE  23          3HG2      ILE  23  -3.515   5.218  -4.594
  160   1HD1  ILE  23          1HD1      ILE  23  -1.919   6.939  -4.235
  161   2HD1  ILE  23          2HD1      ILE  23  -3.078   8.207  -4.633
  162   3HD1  ILE  23          3HD1      ILE  23  -1.625   8.599  -3.714
  163    H    ILE  24           H        ILE  24  -4.126   4.289  -0.450
  164    HA   ILE  24           HA       ILE  24  -5.350   2.079  -1.742
  165    HB   ILE  24           HB       ILE  24  -4.403   2.380   1.158
  166   1HG1  ILE  24          1HG1      ILE  24  -2.857   1.078  -1.076
  167   2HG1  ILE  24          2HG1      ILE  24  -2.844   2.840  -0.936
  168   1HG2  ILE  24          1HG2      ILE  24  -4.975  -0.007  -0.662
  169   2HG2  ILE  24          2HG2      ILE  24  -4.021  -0.150   0.815
  170   3HG2  ILE  24          3HG2      ILE  24  -5.715   0.334   0.902
  171   1HD1  ILE  24          1HD1      ILE  24  -2.310   2.450   1.561
  172   2HD1  ILE  24          2HD1      ILE  24  -1.917   0.798   1.085
  173   3HD1  ILE  24          3HD1      ILE  24  -1.014   2.151   0.403
  174    H    GLU  25           H        GLU  25  -6.398   4.084   0.983
  175    HA   GLU  25           HA       GLU  25  -8.693   2.429   1.572
  176   1HB   GLU  25          1HB       GLU  25  -7.971   5.315   2.263
  177   2HB   GLU  25          2HB       GLU  25  -9.375   4.475   2.933
  178   1HG   GLU  25          1HG       GLU  25  -7.208   2.696   3.231
  179   2HG   GLU  25          2HG       GLU  25  -6.603   4.275   3.732
  180    H    ARG  26           H        ARG  26  -8.236   5.510  -0.171
  181    HA   ARG  26           HA       ARG  26 -11.031   5.668  -0.905
  182   1HB   ARG  26          1HB       ARG  26  -8.495   7.163  -1.444
  183   2HB   ARG  26          2HB       ARG  26  -9.745   7.324  -2.683
  184   1HG   ARG  26          1HG       ARG  26 -11.320   8.209  -1.151
  185   2HG   ARG  26          2HG       ARG  26 -10.397   7.649   0.249
  186   1HD   ARG  26          1HD       ARG  26  -8.607   9.275  -1.204
  187   2HD   ARG  26          2HD       ARG  26 -10.145  10.161  -1.181
  188    HE   ARG  26           HE       ARG  26  -9.258   9.045   1.394
  189   1HH1  ARG  26          1HH1      ARG  26  -9.856  11.641  -0.750
  190   2HH1  ARG  26          2HH1      ARG  26  -9.464  12.881   0.394
  191   1HH2  ARG  26          1HH2      ARG  26  -8.575  10.582   2.886
  192   2HH2  ARG  26          2HH2      ARG  26  -8.720  12.266   2.507
  193    H    GLN  27           H        GLN  27  -8.280   4.013  -2.137
  194    HA   GLN  27           HA       GLN  27  -9.453   3.721  -4.819
  195   1HB   GLN  27          1HB       GLN  27  -6.890   2.762  -3.478
  196   2HB   GLN  27          2HB       GLN  27  -7.338   2.228  -5.104
  197   1HG   GLN  27          1HG       GLN  27  -7.109   5.130  -4.251
  198   2HG   GLN  27          2HG       GLN  27  -5.864   4.249  -5.136
  199   1HE2  GLN  27          1HE2      GLN  27  -7.412   5.164  -8.168
  200   2HE2  GLN  27          2HE2      GLN  27  -5.978   5.035  -7.269
  201    H    ASN  28           H        ASN  28  -9.002   1.891  -1.856
  202    HA   ASN  28           HA       ASN  28 -10.965  -0.062  -2.838
  203   1HB   ASN  28          1HB       ASN  28  -8.453  -0.719  -3.378
  204   2HB   ASN  28          2HB       ASN  28  -8.373  -1.110  -1.659
  205   1HD2  ASN  28          1HD2      ASN  28  -9.470  -4.209  -3.417
  206   2HD2  ASN  28          2HD2      ASN  28  -8.071  -3.247  -3.417
  207    HA   PRO  29           HA       PRO  29 -11.611   1.145   1.501
  208   1HB   PRO  29          1HB       PRO  29 -14.338   0.111   0.921
  209   2HB   PRO  29          2HB       PRO  29 -13.860   1.732   1.447
  210   1HG   PRO  29          1HG       PRO  29 -14.732   1.113  -1.126
  211   2HG   PRO  29          2HG       PRO  29 -13.762   2.535  -0.711
  212   1HD   PRO  29          1HD       PRO  29 -12.915   0.049  -2.101
  213   2HD   PRO  29          2HD       PRO  29 -12.139   1.657  -2.090
  214    H    ASN  30           H        ASN  30 -11.707  -1.770  -0.228
  215    HA   ASN  30           HA       ASN  30 -12.433  -3.359   2.159
  216   1HB   ASN  30          1HB       ASN  30 -11.810  -4.146  -0.728
  217   2HB   ASN  30          2HB       ASN  30 -12.327  -5.279   0.521
  218   1HD2  ASN  30          1HD2      ASN  30 -15.691  -3.895   0.644
  219   2HD2  ASN  30          2HD2      ASN  30 -14.496  -4.514   1.677
  220    H    VAL  31           H        VAL  31  -9.729  -1.918   1.017
  221    HA   VAL  31           HA       VAL  31  -8.009  -4.094   2.111
  222    HB   VAL  31           HB       VAL  31  -6.321  -3.538   0.446
  223   1HG1  VAL  31          1HG1      VAL  31  -9.192  -3.664  -0.459
  224   2HG1  VAL  31          2HG1      VAL  31  -7.983  -3.283  -1.685
  225   3HG1  VAL  31          3HG1      VAL  31  -7.879  -4.796  -0.784
  226   1HG2  VAL  31          1HG2      VAL  31  -7.855  -0.994   0.413
  227   2HG2  VAL  31          2HG2      VAL  31  -6.125  -1.265   0.203
  228   3HG2  VAL  31          3HG2      VAL  31  -7.228  -1.518  -1.150
  229    H    LYS  32           H        LYS  32  -6.562  -3.469   3.689
  230    HA   LYS  32           HA       LYS  32  -6.853  -0.721   4.681
  231   1HB   LYS  32          1HB       LYS  32  -6.712  -3.051   6.003
  232   2HB   LYS  32          2HB       LYS  32  -4.974  -2.745   5.905
  233   1HG   LYS  32          1HG       LYS  32  -6.160  -1.788   7.971
  234   2HG   LYS  32          2HG       LYS  32  -5.182  -0.645   7.041
  235   1HD   LYS  32          1HD       LYS  32  -7.152   0.184   5.879
  236   2HD   LYS  32          2HD       LYS  32  -8.165  -1.043   6.651
  237   1HE   LYS  32          1HE       LYS  32  -6.627   0.461   8.624
  238   2HE   LYS  32          2HE       LYS  32  -7.669   1.518   7.658
  239   1HZ   LYS  32          1HZ       LYS  32  -9.295  -0.526   8.158
  240   2HZ   LYS  32          2HZ       LYS  32  -8.360  -0.515   9.576
  241   3HZ   LYS  32          3HZ       LYS  32  -9.204   0.881   9.105
  242    H    ALA  33           H        ALA  33  -5.108   0.747   4.890
  243    HA   ALA  33           HA       ALA  33  -2.898   0.197   3.004
  244   1HB   ALA  33          1HB       ALA  33  -4.462   2.383   3.261
  245   2HB   ALA  33          2HB       ALA  33  -3.220   2.834   4.429
  246   3HB   ALA  33          3HB       ALA  33  -2.782   2.531   2.748
  247    H    VAL  34           H        VAL  34  -1.227  -0.837   4.002
  248    HA   VAL  34           HA       VAL  34  -0.574  -0.089   6.788
  249    HB   VAL  34           HB       VAL  34   0.840  -2.219   5.128
  250   1HG1  VAL  34          1HG1      VAL  34   0.079  -1.817   8.064
  251   2HG1  VAL  34          2HG1      VAL  34   0.808  -3.302   7.453
  252   3HG1  VAL  34          3HG1      VAL  34   1.708  -1.787   7.388
  253   1HG2  VAL  34          1HG2      VAL  34  -1.940  -2.240   6.311
  254   2HG2  VAL  34          2HG2      VAL  34  -1.410  -2.824   4.734
  255   3HG2  VAL  34          3HG2      VAL  34  -1.008  -3.733   6.191
  256    H    ILE  35           H        ILE  35   1.642   0.472   7.361
  257    HA   ILE  35           HA       ILE  35   3.331   1.309   5.072
  258    HB   ILE  35           HB       ILE  35   2.977   3.159   7.456
  259   1HG1  ILE  35          1HG1      ILE  35   1.151   2.939   5.029
  260   2HG1  ILE  35          2HG1      ILE  35   0.686   2.695   6.717
  261   1HG2  ILE  35          1HG2      ILE  35   4.004   3.194   4.646
  262   2HG2  ILE  35          2HG2      ILE  35   3.129   4.644   5.139
  263   3HG2  ILE  35          3HG2      ILE  35   4.554   4.125   6.040
  264   1HD1  ILE  35          1HD1      ILE  35   2.059   5.229   6.387
  265   2HD1  ILE  35          2HD1      ILE  35   0.664   5.130   5.312
  266   3HD1  ILE  35          3HD1      ILE  35   0.455   4.914   7.049
  267    H    LEU  36           H        LEU  36   4.989  -0.121   5.522
  268    HA   LEU  36           HA       LEU  36   6.233   0.174   8.216
  269   1HB   LEU  36          1HB       LEU  36   6.554  -2.372   6.619
  270   2HB   LEU  36          2HB       LEU  36   6.481  -2.168   8.373
  271    HG   LEU  36           HG       LEU  36   4.137  -1.855   6.460
  272   1HD1  LEU  36          1HD1      LEU  36   5.365  -4.132   7.730
  273   2HD1  LEU  36          2HD1      LEU  36   3.840  -3.824   8.561
  274   3HD1  LEU  36          3HD1      LEU  36   3.855  -4.103   6.819
  275   1HD2  LEU  36          1HD2      LEU  36   4.236  -0.402   8.585
  276   2HD2  LEU  36          2HD2      LEU  36   2.819  -1.437   8.411
  277   3HD2  LEU  36          3HD2      LEU  36   4.131  -1.912   9.490
  278    H    GLU  37           H        GLU  37   8.553   0.092   8.239
  279    HA   GLU  37           HA       GLU  37   9.777   1.209   5.893
  280   1HB   GLU  37          1HB       GLU  37  10.797   0.098   8.540
  281   2HB   GLU  37          2HB       GLU  37  11.930   0.664   7.307
  282   1HG   GLU  37          1HG       GLU  37  10.149   2.721   7.318
  283   2HG   GLU  37          2HG       GLU  37  10.066   2.217   9.007
  284    H    GLU  38           H        GLU  38  10.827   0.158   4.227
  285    HA   GLU  38           HA       GLU  38  10.366  -2.473   3.569
  286   1HB   GLU  38          1HB       GLU  38  11.544  -0.642   2.194
  287   2HB   GLU  38          2HB       GLU  38  13.034  -1.081   3.038
  288   1HG   GLU  38          1HG       GLU  38  13.223  -3.089   1.951
  289   2HG   GLU  38          2HG       GLU  38  11.478  -3.335   1.891
  290    H    GLY  39           H        GLY  39  10.544  -3.956   5.279
  291   1HA   GLY  39          1HA       GLY  39  12.527  -5.613   5.732
  292   2HA   GLY  39          2HA       GLY  39  13.219  -4.201   6.547
  293    H    THR  40           H        THR  40  10.251  -3.536   7.221
  294    HA   THR  40           HA       THR  40  10.261  -4.317   9.893
  295    HB   THR  40           HB       THR  40   7.679  -4.043   8.241
  296    HG1  THR  40           HG1      THR  40   8.821  -2.359   7.570
  297   1HG2  THR  40          1HG2      THR  40   8.506  -3.855  11.082
  298   2HG2  THR  40          2HG2      THR  40   7.786  -2.348  10.517
  299   3HG2  THR  40          3HG2      THR  40   6.869  -3.852  10.425
  300    HA   PRO  41           HA       PRO  41   9.863  -8.708   9.318
  301   1HB   PRO  41          1HB       PRO  41   9.461  -8.698  12.269
  302   2HB   PRO  41          2HB       PRO  41  10.751  -9.468  11.332
  303   1HG   PRO  41          1HG       PRO  41  11.098  -7.184  12.885
  304   2HG   PRO  41          2HG       PRO  41  12.155  -7.650  11.543
  305   1HD   PRO  41          1HD       PRO  41  10.127  -5.483  11.641
  306   2HD   PRO  41          2HD       PRO  41  11.504  -5.695  10.524
  307    H    VAL  42           H        VAL  42   7.793  -8.744   8.345
  308    HA   VAL  42           HA       VAL  42   5.507  -8.695  10.257
  309    HB   VAL  42           HB       VAL  42   4.253  -8.329   7.900
  310   1HG1  VAL  42          1HG1      VAL  42   5.256  -6.677   9.985
  311   2HG1  VAL  42          2HG1      VAL  42   5.726  -5.864   8.493
  312   3HG1  VAL  42          3HG1      VAL  42   4.028  -6.225   8.803
  313   1HG2  VAL  42          1HG2      VAL  42   7.163  -7.628   7.428
  314   2HG2  VAL  42          2HG2      VAL  42   6.107  -8.621   6.423
  315   3HG2  VAL  42          3HG2      VAL  42   5.866  -6.875   6.501
  316    H    THR  43           H        THR  43   3.578  -9.933   8.746
  317    HA   THR  43           HA       THR  43   4.306 -12.688   9.013
  318    HB   THR  43           HB       THR  43   1.934 -11.746   7.315
  319    HG1  THR  43           HG1      THR  43   2.253 -10.346   9.118
  320   1HG2  THR  43          1HG2      THR  43   2.652 -13.954   9.266
  321   2HG2  THR  43          2HG2      THR  43   0.984 -13.379   9.277
  322   3HG2  THR  43          3HG2      THR  43   1.670 -14.067   7.806
  323    H    LYS  44           H        LYS  44   3.686 -14.178   6.960
  324    HA   LYS  44           HA       LYS  44   5.448 -13.177   4.785
  325   1HB   LYS  44          1HB       LYS  44   5.847 -15.395   6.160
  326   2HB   LYS  44          2HB       LYS  44   4.570 -16.060   5.136
  327   1HG   LYS  44          1HG       LYS  44   6.580 -14.516   3.644
  328   2HG   LYS  44          2HG       LYS  44   7.234 -15.957   4.431
  329   1HD   LYS  44          1HD       LYS  44   5.245 -17.235   3.471
  330   2HD   LYS  44          2HD       LYS  44   4.923 -15.807   2.479
  331   1HE   LYS  44          1HE       LYS  44   6.483 -16.543   1.008
  332   2HE   LYS  44          2HE       LYS  44   7.711 -16.326   2.267
  333   1HZ   LYS  44          1HZ       LYS  44   6.071 -18.719   2.406
  334   2HZ   LYS  44          2HZ       LYS  44   7.212 -18.638   1.151
  335   3HZ   LYS  44          3HZ       LYS  44   7.716 -18.495   2.766
  336    H    ASP  45           H        ASP  45   2.321 -14.710   5.429
  337    HA   ASP  45           HA       ASP  45   1.618 -14.875   2.624
  338   1HB   ASP  45          1HB       ASP  45   0.508 -15.629   5.210
  339   2HB   ASP  45          2HB       ASP  45  -0.741 -14.859   4.232
  340    H    PHE  46           H        PHE  46   0.531 -13.378   1.394
  341    HA   PHE  46           HA       PHE  46   0.015 -10.763   2.707
  342   1HB   PHE  46          1HB       PHE  46   0.850 -11.687  -0.020
  343   2HB   PHE  46          2HB       PHE  46  -0.172 -10.250   0.027
  344    HD1  PHE  46           HD1      PHE  46   1.044  -9.695   2.994
  345    HD2  PHE  46           HD2      PHE  46   2.670 -10.142  -0.917
  346    HE1  PHE  46           HE1      PHE  46   2.981  -8.330   3.640
  347    HE2  PHE  46           HE2      PHE  46   4.605  -8.779  -0.265
  348    HZ   PHE  46           HZ       PHE  46   4.763  -7.873   2.013
  349    H    ARG  47           H        ARG  47  -1.997  -9.680   2.326
  350    HA   ARG  47           HA       ARG  47  -4.129 -11.509   1.322
  351   1HB   ARG  47          1HB       ARG  47  -4.533  -9.220   3.294
  352   2HB   ARG  47          2HB       ARG  47  -5.580 -10.621   3.034
  353   1HG   ARG  47          1HG       ARG  47  -3.145 -11.788   3.650
  354   2HG   ARG  47          2HG       ARG  47  -3.190 -10.382   4.721
  355   1HD   ARG  47          1HD       ARG  47  -5.776 -11.310   4.926
  356   2HD   ARG  47          2HD       ARG  47  -4.852 -12.818   4.783
  357    HE   ARG  47           HE       ARG  47  -4.924 -11.932   7.171
  358   1HH1  ARG  47          1HH1      ARG  47  -2.181 -12.691   6.049
  359   2HH1  ARG  47          2HH1      ARG  47  -1.212 -11.375   6.619
  360   1HH2  ARG  47          1HH2      ARG  47  -3.999  -9.386   7.371
  361   2HH2  ARG  47          2HH2      ARG  47  -2.268  -9.452   7.387
  362    H    CYS  48           H        CYS  48  -5.477 -10.726  -0.257
  363    HA   CYS  48           HA       CYS  48  -4.712  -8.398  -1.710
  364   1HB   CYS  48          1HB       CYS  48  -7.328  -9.965  -1.683
  365   2HB   CYS  48          2HB       CYS  48  -6.895  -8.801  -2.920
  366    H    ASN  49           H        ASN  49  -6.297  -8.631   1.218
  367    HA   ASN  49           HA       ASN  49  -7.838  -6.138   0.727
  368   1HB   ASN  49          1HB       ASN  49  -9.195  -6.784   2.600
  369   2HB   ASN  49          2HB       ASN  49  -8.840  -8.316   1.801
  370   1HD2  ASN  49          1HD2      ASN  49  -6.063  -8.702   4.405
  371   2HD2  ASN  49          2HD2      ASN  49  -5.988  -8.325   2.751
  372    H    ARG  50           H        ARG  50  -4.884  -6.388   1.124
  373    HA   ARG  50           HA       ARG  50  -4.714  -4.329   3.212
  374   1HB   ARG  50          1HB       ARG  50  -3.380  -7.062   3.349
  375   2HB   ARG  50          2HB       ARG  50  -2.719  -5.681   4.231
  376   1HG   ARG  50          1HG       ARG  50  -5.270  -5.422   4.987
  377   2HG   ARG  50          2HG       ARG  50  -5.274  -7.162   4.674
  378   1HD   ARG  50          1HD       ARG  50  -4.553  -6.992   6.952
  379   2HD   ARG  50          2HD       ARG  50  -3.043  -7.189   6.039
  380    HE   ARG  50           HE       ARG  50  -2.554  -4.885   6.432
  381   1HH1  ARG  50          1HH1      ARG  50  -5.407  -6.102   7.866
  382   2HH1  ARG  50          2HH1      ARG  50  -5.775  -4.652   8.738
  383   1HH2  ARG  50          1HH2      ARG  50  -3.044  -2.913   7.394
  384   2HH2  ARG  50          2HH2      ARG  50  -4.402  -2.798   8.463
  385    H    VAL  51           H        VAL  51  -3.862  -2.832   1.732
  386    HA   VAL  51           HA       VAL  51  -1.710  -3.667  -0.051
  387    HB   VAL  51           HB       VAL  51  -3.261  -1.121   0.493
  388   1HG1  VAL  51          1HG1      VAL  51  -0.446  -1.352  -0.642
  389   2HG1  VAL  51          2HG1      VAL  51  -1.528  -0.082  -1.213
  390   3HG1  VAL  51          3HG1      VAL  51  -1.067  -0.148   0.488
  391   1HG2  VAL  51          1HG2      VAL  51  -2.816  -3.092  -1.633
  392   2HG2  VAL  51          2HG2      VAL  51  -4.176  -1.998  -1.384
  393   3HG2  VAL  51          3HG2      VAL  51  -2.728  -1.429  -2.214
  394    H    ARG  52           H        ARG  52   0.120  -4.191   1.020
  395    HA   ARG  52           HA       ARG  52   0.938  -2.784   3.425
  396   1HB   ARG  52          1HB       ARG  52   1.320  -5.298   2.536
  397   2HB   ARG  52          2HB       ARG  52   2.798  -4.585   1.880
  398   1HG   ARG  52          1HG       ARG  52   3.346  -5.370   4.094
  399   2HG   ARG  52          2HG       ARG  52   3.207  -3.608   4.207
  400   1HD   ARG  52          1HD       ARG  52   1.197  -3.704   5.367
  401   2HD   ARG  52          2HD       ARG  52   0.719  -5.228   4.600
  402    HE   ARG  52           HE       ARG  52   1.890  -5.083   7.120
  403   1HH1  ARG  52          1HH1      ARG  52   4.472  -5.730   6.226
  404   2HH1  ARG  52          2HH1      ARG  52   4.455  -7.436   5.923
  405   1HH2  ARG  52          1HH2      ARG  52   0.956  -7.584   5.798
  406   2HH2  ARG  52          2HH2      ARG  52   2.414  -8.513   5.679
  407    H    ILE  53           H        ILE  53   1.504  -0.677   2.992
  408    HA   ILE  53           HA       ILE  53   3.275  -0.087   0.721
  409    HB   ILE  53           HB       ILE  53   2.574   1.950   2.847
  410   1HG1  ILE  53          1HG1      ILE  53   0.511   1.324   0.765
  411   2HG1  ILE  53          2HG1      ILE  53   0.588   0.267   2.181
  412   1HG2  ILE  53          1HG2      ILE  53   3.485   1.858   0.118
  413   2HG2  ILE  53          2HG2      ILE  53   1.881   2.591   0.103
  414   3HG2  ILE  53          3HG2      ILE  53   3.165   3.298   1.084
  415   1HD1  ILE  53          1HD1      ILE  53   0.858   3.011   3.018
  416   2HD1  ILE  53          2HD1      ILE  53  -0.591   2.840   2.028
  417   3HD1  ILE  53          3HD1      ILE  53  -0.383   1.841   3.466
  418    H    TRP  54           H        TRP  54   5.469   0.530   0.976
  419    HA   TRP  54           HA       TRP  54   6.470   0.412   3.779
  420   1HB   TRP  54          1HB       TRP  54   7.605  -0.911   1.274
  421   2HB   TRP  54          2HB       TRP  54   8.493  -0.814   2.796
  422    HD1  TRP  54           HD1      TRP  54   5.021  -2.142   1.553
  423    HE1  TRP  54           HE1      TRP  54   4.515  -4.127   3.035
  424    HE3  TRP  54           HE3      TRP  54   8.997  -1.945   4.501
  425    HZ2  TRP  54           HZ2      TRP  54   5.729  -5.529   5.321
  426    HZ3  TRP  54           HZ3      TRP  54   9.369  -3.557   6.320
  427    HH2  TRP  54           HH2      TRP  54   7.736  -5.347   6.731
  428    H    VAL  55           H        VAL  55   8.656   1.406   4.017
  429    HA   VAL  55           HA       VAL  55   8.988   3.626   2.054
  430    HB   VAL  55           HB       VAL  55   9.618   5.059   3.941
  431   1HG1  VAL  55          1HG1      VAL  55   7.145   3.569   3.840
  432   2HG1  VAL  55          2HG1      VAL  55   7.574   3.782   5.537
  433   3HG1  VAL  55          3HG1      VAL  55   7.393   5.190   4.491
  434   1HG2  VAL  55          1HG2      VAL  55  10.960   3.232   5.066
  435   2HG2  VAL  55          2HG2      VAL  55   9.959   4.167   6.177
  436   3HG2  VAL  55          3HG2      VAL  55   9.443   2.561   5.664
  437    H    ASN  56           H        ASN  56  10.958   3.694   1.070
  438    HA   ASN  56           HA       ASN  56  12.962   1.733   1.903
  439   1HB   ASN  56          1HB       ASN  56  14.125   2.465  -0.180
  440   2HB   ASN  56          2HB       ASN  56  12.419   2.164  -0.510
  441   1HD2  ASN  56          1HD2      ASN  56  13.554   5.572  -1.830
  442   2HD2  ASN  56          2HD2      ASN  56  14.272   4.039  -1.957
  443    H    LYS  57           H        LYS  57  14.879   2.192   2.914
  444    HA   LYS  57           HA       LYS  57  15.215   4.341   4.588
  445   1HB   LYS  57          1HB       LYS  57  17.338   3.439   4.939
  446   2HB   LYS  57          2HB       LYS  57  16.723   2.150   3.897
  447   1HG   LYS  57          1HG       LYS  57  17.713   3.135   1.940
  448   2HG   LYS  57          2HG       LYS  57  18.101   4.623   2.813
  449   1HD   LYS  57          1HD       LYS  57  19.908   3.688   3.890
  450   2HD   LYS  57          2HD       LYS  57  19.167   2.084   3.955
  451   1HE   LYS  57          1HE       LYS  57  20.601   1.587   2.238
  452   2HE   LYS  57          2HE       LYS  57  19.444   2.479   1.235
  453   1HZ   LYS  57          1HZ       LYS  57  21.558   3.917   2.668
  454   2HZ   LYS  57          2HZ       LYS  57  21.914   3.116   1.214
  455   3HZ   LYS  57          3HZ       LYS  57  20.736   4.338   1.242
  456    H    ARG  58           H        ARG  58  15.638   4.316   1.139
  457    HA   ARG  58           HA       ARG  58  17.356   6.522   0.809
  458   1HB   ARG  58          1HB       ARG  58  14.893   5.916  -0.898
  459   2HB   ARG  58          2HB       ARG  58  16.405   6.656  -1.439
  460   1HG   ARG  58          1HG       ARG  58  16.825   4.082  -0.098
  461   2HG   ARG  58          2HG       ARG  58  15.831   3.943  -1.554
  462   1HD   ARG  58          1HD       ARG  58  18.417   3.848  -1.869
  463   2HD   ARG  58          2HD       ARG  58  17.516   4.954  -2.925
  464    HE   ARG  58           HE       ARG  58  18.490   6.143  -0.428
  465   1HH1  ARG  58          1HH1      ARG  58  19.284   5.142  -3.597
  466   2HH1  ARG  58          2HH1      ARG  58  20.292   6.507  -3.946
  467   1HH2  ARG  58          1HH2      ARG  58  19.627   8.038  -0.862
  468   2HH2  ARG  58          2HH2      ARG  58  20.492   8.190  -2.356
  469    H    GLY  59           H        GLY  59  14.443   6.447   2.418
  470   1HA   GLY  59          1HA       GLY  59  13.417   8.283   3.503
  471   2HA   GLY  59          2HA       GLY  59  14.331   9.376   2.448
  472    H    LEU  60           H        LEU  60  12.367   6.632   1.377
  473    HA   LEU  60           HA       LEU  60  10.370   8.568   0.328
  474   1HB   LEU  60          1HB       LEU  60  11.835   6.393  -1.244
  475   2HB   LEU  60          2HB       LEU  60  10.453   7.296  -1.878
  476    HG   LEU  60           HG       LEU  60  12.105   9.299  -0.884
  477   1HD1  LEU  60          1HD1      LEU  60  13.834   7.359  -0.721
  478   2HD1  LEU  60          2HD1      LEU  60  13.791   7.323  -2.484
  479   3HD1  LEU  60          3HD1      LEU  60  14.346   8.772  -1.645
  480   1HD2  LEU  60          1HD2      LEU  60  10.794   8.940  -3.123
  481   2HD2  LEU  60          2HD2      LEU  60  12.242   9.947  -3.149
  482   3HD2  LEU  60          3HD2      LEU  60  12.317   8.280  -3.719
  483    H    VAL  61           H        VAL  61   8.440   7.283  -0.642
  484    HA   VAL  61           HA       VAL  61   7.874   5.055   1.244
  485    HB   VAL  61           HB       VAL  61   6.015   6.925  -0.322
  486   1HG1  VAL  61          1HG1      VAL  61   5.619   4.351   1.050
  487   2HG1  VAL  61          2HG1      VAL  61   4.650   5.625   1.791
  488   3HG1  VAL  61          3HG1      VAL  61   4.468   5.264   0.074
  489   1HG2  VAL  61          1HG2      VAL  61   7.430   7.193   2.147
  490   2HG2  VAL  61          2HG2      VAL  61   6.219   8.284   1.474
  491   3HG2  VAL  61          3HG2      VAL  61   5.725   6.970   2.541
  492    H    VAL  62           H        VAL  62   8.366   3.173   0.194
  493    HA   VAL  62           HA       VAL  62   7.862   2.922  -2.679
  494    HB   VAL  62           HB       VAL  62   8.644   0.430  -1.962
  495   1HG1  VAL  62          1HG1      VAL  62   9.904   2.257  -3.270
  496   2HG1  VAL  62          2HG1      VAL  62  10.530   2.822  -1.721
  497   3HG1  VAL  62          3HG1      VAL  62  10.939   1.208  -2.302
  498   1HG2  VAL  62          1HG2      VAL  62   8.344   1.122   0.485
  499   2HG2  VAL  62          2HG2      VAL  62   9.910   0.420   0.080
  500   3HG2  VAL  62          3HG2      VAL  62   9.749   2.166   0.267
  501    H    SER  63           H        SER  63   5.528   3.125  -2.637
  502    HA   SER  63           HA       SER  63   4.042   1.025  -1.207
  503   1HB   SER  63          1HB       SER  63   2.610   2.851  -3.118
  504   2HB   SER  63          2HB       SER  63   2.262   2.538  -1.396
  505    HG   SER  63           HG       SER  63   3.280   4.645  -2.078
  506    HA   PRO  64           HA       PRO  64   4.629  -1.481  -4.863
  507   1HB   PRO  64          1HB       PRO  64   2.878  -3.371  -3.372
  508   2HB   PRO  64          2HB       PRO  64   4.548  -3.604  -3.913
  509   1HG   PRO  64          1HG       PRO  64   3.807  -3.195  -1.259
  510   2HG   PRO  64          2HG       PRO  64   5.427  -2.886  -1.905
  511   1HD   PRO  64          1HD       PRO  64   3.326  -0.928  -1.140
  512   2HD   PRO  64          2HD       PRO  64   5.084  -0.682  -1.331
  513    HA   PRO  65           HA       PRO  65   0.630   0.050  -6.278
  514   1HB   PRO  65          1HB       PRO  65   1.793  -0.469  -8.953
  515   2HB   PRO  65          2HB       PRO  65   1.287   1.075  -8.251
  516   1HG   PRO  65          1HG       PRO  65   3.943   0.325  -8.660
  517   2HG   PRO  65          2HG       PRO  65   3.414   1.576  -7.523
  518   1HD   PRO  65          1HD       PRO  65   4.357  -1.187  -6.947
  519   2HD   PRO  65          2HD       PRO  65   4.311   0.240  -5.873
  520    H    ARG  66           H        ARG  66   1.477  -2.900  -5.785
  521    HA   ARG  66           HA       ARG  66  -0.690  -4.009  -7.438
  522   1HB   ARG  66          1HB       ARG  66   1.335  -5.993  -7.541
  523   2HB   ARG  66          2HB       ARG  66   0.832  -4.957  -8.882
  524   1HG   ARG  66          1HG       ARG  66   3.041  -4.307  -8.797
  525   2HG   ARG  66          2HG       ARG  66   2.419  -3.215  -7.554
  526   1HD   ARG  66          1HD       ARG  66   4.088  -4.228  -6.298
  527   2HD   ARG  66          2HD       ARG  66   2.816  -5.442  -6.046
  528    HE   ARG  66           HE       ARG  66   3.872  -6.553  -8.142
  529   1HH1  ARG  66          1HH1      ARG  66   5.233  -5.700  -5.231
  530   2HH1  ARG  66          2HH1      ARG  66   6.881  -5.964  -5.696
  531   1HH2  ARG  66          1HH2      ARG  66   6.065  -6.429  -9.072
  532   2HH2  ARG  66          2HH2      ARG  66   7.364  -6.387  -7.927
  533    H    ILE  67           H        ILE  67  -1.959  -5.160  -6.089
  534    HA   ILE  67           HA       ILE  67  -0.969  -5.881  -3.444
  535    HB   ILE  67           HB       ILE  67  -3.465  -5.263  -4.581
  536   1HG1  ILE  67          1HG1      ILE  67  -3.123  -6.727  -1.946
  537   2HG1  ILE  67          2HG1      ILE  67  -2.563  -5.065  -2.170
  538   1HG2  ILE  67          1HG2      ILE  67  -3.355  -7.801  -5.254
  539   2HG2  ILE  67          2HG2      ILE  67  -3.574  -8.121  -3.534
  540   3HG2  ILE  67          3HG2      ILE  67  -4.816  -7.249  -4.434
  541   1HD1  ILE  67          1HD1      ILE  67  -5.392  -6.023  -2.705
  542   2HD1  ILE  67          2HD1      ILE  67  -4.882  -5.154  -1.257
  543   3HD1  ILE  67          3HD1      ILE  67  -4.812  -4.362  -2.832
  544    H    GLY  68           H        GLY  68  -1.093  -8.099  -2.596
  545   1HA   GLY  68          1HA       GLY  68  -0.487 -10.072  -4.739
  546   2HA   GLY  68          2HA       GLY  68   0.132 -10.161  -3.081
   
  No H/Q in entry =         546