*HEADER   CYTOKINE                                17-JUN-98   1EOT    
*TITLE    SOLUTION NMR STRUCTURE OF EOTAXIN, MINIMIZED AVERAGE        
*TITLE   2 STRUCTURE                                                  
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: EOTAXIN;                                         
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 ENGINEERED: YES;                                           
*COMPND  5 BIOLOGICAL_UNIT: MONOMER;                                  
*COMPND  6 OTHER_DETAILS: BOTH SYNTHETIC AND RECOMBINANT SAMPLES WERE 
*COMPND  7 PREPARED.  RECOMBINANT SAMPLES WERE UNIFORMLY LABELLED WITH
*COMPND  8 N15.                                                       
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  4 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                      
*SOURCE  7 EXPRESSION_SYSTEM_PLASMID: PET15B;                         
*SOURCE  8 OTHER_DETAILS: BOTH SYNTHETIC AND RECOMBINANT SAMPLES WERE 
*SOURCE  9 PREPARED                                                   
*KEYWDS   CYTOKINE, CHEMOKINE, PROTEIN SYNTHESIS, EOTAXIN, SOLUTION   
*KEYWDS  2 STRUCTURE, CCR3, EOSINOPHIL                                
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   M.P.CRUMP,K.RAJARATHNAM,B.D.SYKES                           
*REVDAT  1   13-JAN-99 1EOT    0                                      
 
 
! The restraints are represented by soft square-well potentials with the
! upper (u) and lower (l) limits given by u=i+k and l=i-j where the numbers
! are entered in the order i,j,k.
 
! Corrections of 0.5 A are added to distance restraints involving methyl
! protons. Appropriate pseudo atom corrections are applied for   
! non-stereospecifically assigned methylene and methyl protons  
! (Wuthrich et al., J. Mol. Biol. 169, 949-961 (1983)]. Restraints
! involving aromatic protons are treated with R-6 averaging as implemented
! in X-PLOR 3.1.

! NOE restraints

clas hbond

!H-BONDS 

assign (resid 27 and name O )(resid 40 and name HN ) 2.2 0.5 0.2
assign (resid 27 and name O )(resid 40 and name N  ) 3.3 0.8 0.2
assign (resid 40 and name O )(resid 27 and name HN ) 2.2 0.5 0.2
assign (resid 40 and name O )(resid 27 and name N  ) 3.3 0.8 0.2
assign (resid 41 and name O )(resid 49 and name HN ) 2.2 0.5 0.2
assign (resid 41 and name O )(resid 49 and name N  ) 3.3 0.8 0.2
assign (resid 47 and name O )(resid 43 and name HN ) 2.2 0.5 0.2
assign (resid 47 and name O )(resid 43 and name N  ) 3.3 0.8 0.2
assign (resid 49 and name O )(resid 41 and name HN ) 2.2 0.5 0.2
assign (resid 49 and name O )(resid 41 and name N  ) 3.3 0.8 0.2
assign (resid 39 and name O )(resid 51 and name HN ) 2.2 0.5 0.2
assign (resid 39 and name O )(resid 51 and name N  ) 3.3 0.8 0.2
assign (resid 51 and name O )(resid 39 and name HN ) 2.2 0.5 0.2
assign (resid 51 and name O )(resid 39 and name N  ) 3.3 0.8 0.2
assign (resid 57 and name O )(resid 61 and name HN ) 2.2 0.5 0.5
assign (resid 57 and name O )(resid 61 and name N  ) 3.3 0.8 0.5
assign (resid 58 and name O )(resid 62 and name HN ) 2.2 0.5 0.2
assign (resid 58 and name O )(resid 62 and name N  ) 3.3 0.8 0.2
assign (resid 60 and name O )(resid 64 and name HN ) 2.2 0.5 0.2
assign (resid 60 and name O )(resid 64 and name N  ) 3.3 0.8 0.2
assign (resid 61 and name O )(resid 65 and name HN ) 2.2 0.5 0.2
assign (resid 61 and name O )(resid 65 and name N  ) 3.3 0.8 0.2
assign (resid 62 and name O )(resid 66 and name HN ) 2.2 0.5 0.2
assign (resid 62 and name O )(resid 66 and name N  ) 3.3 0.8 0.2
assign (resid 63 and name O )(resid 67 and name HN ) 2.2 0.5 0.2
assign (resid 63 and name O )(resid 67 and name N  ) 3.3 0.8 0.2

clas long 

! C9
assign (resid  9 and name HB2 )(resid 34 and name HB1)3.5 1.7 1.0
assign (resid  9 and name HA  )(resid 35 and name HD2)4.5 2.7 0.5
assign (resid  9 and name HA  )(resid 34 and name HB1)4.5 2.7 1.0
assign (resid  9 and name HB1 )(resid 38 and name HB*)4.5 2.7 1.5

! C10
assign (resid 10 and name HB* )(resid 50 and name HB2)3.5 1.7 1.5
assign (resid 38 and name HB* )(resid 10 and name HB*)3.0 1.2 1.5
assign (resid 50 and name HB1 )(resid 13 and name HD2*)3.5 1.7 1.5

! F11
assign (resid 11 and name HZ  )(resid 36 and name HG*)3.5 1.7 1.5

! L13
assign (resid 13 and name HA  )(resid 51 and name HA )3.0 1.2 0.5
assign (resid 13 and name HD2*)(resid 52 and name HA )3.5 1.7 1.0
assign (resid 13 and name HD2*)(resid 51 and name HA )3.5 1.7 1.0
assign (resid 13 and name HD1*)(resid 52 and name HB1)3.5 1.7 1.0
assign (resid 13 and name HD1*)(resid 52 and name HB2)3.5 1.7 1.0
assign (resid 13 and name HD2*)(resid 52 and name HB1)4.5 2.7 1.0
assign (resid 13 and name HD2*)(resid 52 and name HB2)4.5 2.7 1.0

! K17
assign (resid 17 and name HB* )(resid 57 and name HB1)4.5 2.7 1.5
assign (resid 17 and name HB* )(resid 57 and name HB2)4.5 2.7 1.5
assign (resid 17 and name HD* )(resid 57 and name HB1)3.5 1.7 1.5
assign (resid 17 and name HD* )(resid 57 and name HB2)3.5 1.7 1.5

! I18
assign (resid 18 and name HD*)(resid 49 and name HG2*)3.0 1.2 1.5
assign (resid 18 and name HD*)(resid 49 and name HB  )3.5 1.7 1.0

! R22
assign (resid 22 and name HA )(resid 44 and name HN ) 3.5 1.7 0.5
assign (resid 22 and name HB1)(resid 43 and name HB ) 4.5 2.7 0.5
assign (resid 22 and name HB2)(resid 43 and name HB ) 4.5 2.7 0.5

! L23
assign (resid 23 and name HA  )(resid 43 and name HA ) 3.0 1.2 0.5
assign (resid 23 and name HD2*)(resid 43 and name HA ) 3.0 1.2 1.0

! E24
assign (resid 24 and name HN )(resid 43 and name HA ) 2.3 0.5 0.5

! S25
assign (resid 25 and name HN )(resid 42 and name HN ) 3.5 1.7 0.5
assign (resid 25 and name HN )(resid 41 and name HA ) 4.5 2.7 0.5

! Y26
assign (resid 26 and name HA )(resid 41 and name HA ) 2.3 0.5 0.5
assign (resid 26 and name HA )(resid 41 and name HB1) 5.5 2.7 0.5
assign (resid 26 and name HA )(resid 41 and name HB2) 5.5 2.7 0.5
assign (resid 26 and name HA )(resid 42 and name HN ) 3.0 1.2 0.5
assign (resid 26 and name HA )(resid 39 and name HG1*)4.5 2.7 1.0

! R27
assign (resid 27 and name HN )(resid 40 and name HN ) 3.5 1.7 0.5
assign (resid 27 and name HN )(resid 41 and name HA ) 3.0 1.2 0.5

! R28
assign (resid 28 and name HB*)(resid 39 and name HG1*)3.5 1.7 1.5
assign (resid 28 and name HA )(resid 39 and name HA ) 3.0 1.2 0.5
assign (resid 28 and name HA )(resid 40 and name HN ) 3.0 1.2 0.5

! I29
assign (resid 29 and name HN )(resid 39 and name HA ) 3.0 1.2 0.5
assign (resid 29 and name HN )(resid 38 and name HN ) 3.5 1.7 0.5
assign (resid 29 and name HB )(resid 38 and name HN ) 3.0 1.2 0.5
assign (resid 29 and name HG2*)(resid 34 and name HB1)4.5 2.7 1.0
assign (resid 29 and name HG2*)(resid 34 and name HB2)4.5 2.7 1.0
assign (resid 29 and name HG2*)(resid  9 and name HA )4.5 2.7 1.0
assign (resid 29 and name HG2*)(resid 37 and name HA )4.5 2.7 1.0
assign (resid 29 and name HD* )(resid  9 and name HA )3.5 1.7 1.0
assign (resid 39 and name HG1*)(resid 51 and name HB*)4.0 2.2 1.0

! T30
assign (resid 30 and name HA )(resid 37 and name HA ) 3.0 1.2 0.5

! Val39
assign (resid 39 and name HN )(resid 51 and name HN ) 3.5 1.7 0.5
assign (resid 39 and name HN )(resid 53 and name HD1) 3.5 1.7 1.0
assign (resid 39 and name HG2*)(resid 51 and name HN )5.5 3.7 1.0
assign (resid 39 and name HG1*)(resid 41 and name HZ )4.5 2.7 1.0
assign (resid 39 and name HG2*)(resid 41 and name HZ )4.5 2.7 1.0
assign (resid 39 and name HG1*)(resid 26 and name HB1)4.5 2.7 1.0
assign (resid 39 and name HG1*)(resid 26 and name HB2)3.0 1.2 0.5
assign (resid 39 and name HG1*)(resid 27 and name HN )4.5 2.7 1.0

! Ile40
assign (resid 40 and name HA )(resid 51 and name HN ) 4.5 2.7 0.5
assign (resid 40 and name HA )(resid 50 and name HA ) 2.3 0.5 0.5
assign (resid 40 and name HG2*)(resid 49 and name HN) 2.3 0.5 1.0
assign (resid 40 and name HG2*)(resid 50 and name HA )4.5 1.7 1.0
assign (resid 40 and name HD1*)(resid 50 and name HA )5.5 3.7 1.0
assign (resid 40 and name HG1*)(resid 50 and name HA )5.5 3.7 1.5
assign (resid 40 and name HG2*)(resid 51 and name HN )4.5 2.7 1.0
assign (resid 40 and name HG2*)(resid 48 and name HA )3.5 1.7 1.0
assign (resid 40 and name HG2*)(resid 48 and name HB1)3.0 1.2 0.5
assign (resid 40 and name HG2*)(resid 48 and name HB2)3.5 1.7 0.5

! Phe41
assign (resid 41 and name HA  )(resid 49 and name HN )4.5 2.7 0.5
assign (resid 41 and name HN  )(resid 50 and name HA )3.5 1.7 0.5
assign (resid 41 and name HN  )(resid 49 and name HN )3.5 1.7 0.5
assign (resid 41 and name HA  )(resid 23 and name HD2*)4.5 2.7 1.0
assign (resid 41 and name HA  )(resid 26 and name HB1)3.5 1.7 0.5
assign (resid 41 and name HA  )(resid 26 and name HB2)3.5 1.7 0.5
assign (resid 41 and name HZ  )(resid 58 and name HA )3.0 1.2 0.5
assign (resid 41 and name HZ  )(resid 62 and name HA )3.5 1.7 0.5
assign (resid 41 and name HB1 )(resid 49 and name HN )4.5 2.7 0.5
assign (resid 41 and name HB2 )(resid 49 and name HN )4.5 2.7 0.5

! K42
assign (resid 42 and name HA )(resid 48 and name HA ) 3.0 1.2 0.5
assign (resid 42 and name HA )(resid 49 and name HN ) 3.5 1.7 0.5

! T43
assign (resid 43 and name HG*)(resid 47 and name HN )3.5 1.7 1.5
assign (resid 43 and name HG*)(resid 23 and name HA )3.5 1.7 1.0
assign (resid 43 and name HN )(resid 47 and name HN )3.5 1.7 0.5
assign (resid 43 and name HN )(resid 48 and name HA )3.5 1.7 0.5
assign (resid 43 and name HA )(resid 23 and name HG )3.5 1.7 0.5

! Ala 51
assign (resid 51 and name HA  )(resid 14 and name HN )3.0 1.2 0.5
assign (resid 51 and name HA  )(resid 14 and name HB*)3.0 1.2 1.0

! Pro 53
assign (resid 53 and name HA  )(resid 58 and name HG1*)2.3 0.5 1.0

! long range trp57
assign (resid 57 and name HD1)(resid 17 and name HB2 )3.5 2.2 1.5
assign (resid 57 and name HD1)(resid 17 and name HD* )3.5 1.7 1.5
assign (resid 57 and name HZ3)(resid 23 and name HD1*)5.0 3.2 1.0
assign (resid 57 and name HZ3)(resid 17 and name HA ) 4.5 2.7 0.5
assign (resid 57 and name HZ3)(resid 18 and name HN ) 3.5 1.7 0.5
assign (resid 57 and name HZ3)(resid 51 and name HB*) 3.0 1.2 1.0
assign (resid 57 and name HZ3)(resid 18 and name HD1*)3.0 1.2 1.0
assign (resid 57 and name HZ3)(resid 18 and name HG1*)3.5 1.7 1.0
assign (resid 57 and name HZ2)(resid 15 and name HA ) 3.5 1.7 0.5
assign (resid 57 and name HZ2)(resid 14 and name HB*) 3.0 1.2 1.0
assign (resid 57 and name HH2)(resid 14 and name HB*) 3.0 1.2 1.0
assign (resid 57 and name HH2)(resid 51 and name HB*) 3.0 1.2 1.0
assign (resid 57 and name HH2)(resid 18 and name HD1*)3.0 1.2 1.0
assign (resid 57 and name HE1)(resid 15 and name HA ) 3.5 1.7 0.5
assign (resid 57 and name HE1)(resid 17 and name HA ) 3.5 1.7 0.5
assign (resid 57 and name HE1)(resid 17 and name HB*) 4.5 2.7 1.5
assign (resid 57 and name HE3)(resid 18 and name HN ) 4.5 2.7 0.5

! long range val58
assign (resid 58 and name HG2*)(resid 51 and name HA) 3.0 1.2 1.0
assign (resid 58 and name HG2*)(resid 51 and name HB*)4.5 2.7 1.0
assign (resid 58 and name HG1*)(resid 51 and name HB*)4.5 2.7 1.0
assign (resid 58 and name HG1*)(resid 41 and name HZ) 3.0 1.2 0.5
assign (resid 58 and name HG2*)(resid 41 and name HZ) 4.5 2.7 1.0
assign (resid 58 and name HG2*)(resid 52 and name HN) 3.5 1.7 1.0
assign (resid 58 and name HG1*)(resid 52 and name HN) 3.5 1.7 1.0

! Ser 61
assign (resid 61 and name HA  )(resid 20 and name HD1*)4.5 2.7 1.0
assign (resid 61 and name HA  )(resid 20 and name HD2*)3.0 1.2 1.0
assign (resid 61 and name HB1 )(resid 20 and name HD2*)4.0 2.2 1.0
assign (resid 61 and name HA  )(resid 23 and name HD1*)3.0 1.2 1.0
assign (resid 61 and name HB1 )(resid 23 and name HD1*)3.0 1.2 1.0
assign (resid 61 and name HB2 )(resid 41 and name HZ  )3.0 1.2 0.5
assign (resid 61 and name HB1 )(resid 41 and name HZ  )2.3 0.5 0.5
assign (resid 61 and name HN  )(resid 41 and name HZ  )4.5 2.7 0.5

! Tyr 64
assign (resid 64 and name HN  )(resid 20 and name HD2*)5.0 3.2 1.0
assign (resid 64 and name HB* )(resid 20 and name HD2*)3.0 1.2 1.5
assign (resid 64 and name HB* )(resid 20 and name HD1*)3.5 1.7 1.5
assign (resid 65 and name HD2*)(resid 26 and name HN )4.5 2.7 1.0

! Leu 65
assign (resid 65 and name HD1*)(resid 26 and name HN )3.0 1.2 1.0
assign (resid 65 and name HD2*)(resid 25 and name HA )3.0 1.2 1.0
assign (resid 65 and name HD1*)(resid 25 and name HA )3.0 1.2 1.0
assign (resid 65 and name HB1 )(resid 25 and name HA )4.5 2.7 0.5
assign (resid 65 and name HB2 )(resid 25 and name HA )5.5 3.7 0.5
assign (resid 65 and name HD1*)(resid 26 and name HB1)4.0 2.2 1.0
assign (resid 65 and name HD1*)(resid 26 and name HB2)4.0 2.2 1.0

clas average 

assign (resid 11 and name HD* )(resid 36 and name HG* )3.0 1.2 1.5
assign (resid 11 and name HE* )(resid 35 and name HB* )3.5 1.7 2.0
assign (resid 11 and name HE* )(resid 36 and name HG* )3.5 1.7 1.5
assign (resid 58 and name HG1*)(resid 41 and name HE*)2.3 0.5 1.5
assign (resid 58 and name HG2*)(resid 41 and name HD*)3.5 1.7 1.5
assign (resid 58 and name HG2*)(resid 41 and name HE*)2.3 0.5 1.5
assign (resid 61 and name HB1 )(resid 41 and name HE*)3.0 1.2 1.0
assign (resid 61 and name HB2 )(resid 41 and name HE*)3.0 1.2 1.0
assign (resid 41 and name HD* )(resid 23 and name HD1*)3.0 1.2 1.5
assign (resid 41 and name HD* )(resid 23 and name HD2*)2.3 0.5 1.5
assign (resid 41 and name HE* )(resid 23 and name HD1*)3.5 1.2 1.5
assign (resid 41 and name HD* )(resid 18 and name HD*)3.0 1.2 1.5
assign (resid 41 and name HD* )(resid 26 and name HA) 3.0 1.2 1.0
assign (resid 41 and name HD* )(resid 26 and name HB1)2.3 0.5 0.5
assign (resid 41 and name HD* )(resid 26 and name HB2)2.3 0.5 0.5
assign (resid 41 and name HE* )(resid 26 and name HB1)3.0 1.2 0.5
assign (resid 41 and name HE* )(resid 26 and name HB2)3.0 1.2 0.5
assign (resid 41 and name HD* )(resid 26 and name HD*)4.5 2.7 1.5
assign (resid 41 and name HD* )(resid 51 and name HB*)3.5 2.7 1.5
assign (resid 41 and name HE* )(resid 51 and name HB*)3.5 2.7 1.5
assign (resid 41 and name HE* )(resid 65 and name HD1*)3.0 1.2 1.5
assign (resid 26 and name HD* )(resid 62 and name HA )3.0 1.2 1.0
assign (resid 26 and name HE* )(resid 62 and name HA )3.0 1.2 1.0
assign (resid 26 and name HD* )(resid 65 and name HB1) 3.5 1.7 1.0
assign (resid 26 and name HD* )(resid 65 and name HB2) 3.5 1.7 1.0
assign (resid 26 and name HE* )(resid 65 and name HB1) 3.5 1.7 1.0
assign (resid 26 and name HE* )(resid 65 and name HB2) 3.5 1.7 1.0
assign (resid 26 and name HD* )(resid 65 and name HD2*)4.5 1.7 1.0
assign (resid 26 and name HD* )(resid 65 and name HD1*)3.0 1.7 1.5
assign (resid 26 and name HE* )(resid 65 and name HD1*)3.5 1.7 1.5
assign (resid 26 and name HE* )(resid 66 and name HA )3.5 1.7 1.0
assign (resid 39 and name HG2*)(resid 26 and name HD*)3.5 1.7 1.5
assign (resid 39 and name HG1*)(resid 26 and name HD*)3.0 1.2 1.5
assign (resid 39 and name HG1*)(resid 26 and name HE*)4.5 2.7 1.5
assign (resid 39 and name HG2*)(resid 26 and name HE*)4.5 2.7 1.5
assign (resid 64 and name HD* )(resid 20 and name HD2*)3.0 1.2 1.5
assign (resid 64 and name HE* )(resid 20 and name HD2*)3.0 1.2 1.5
assign (resid 64 and name HE* )(resid 20 and name HD1*)3.5 1.7 1.5
assign (resid 64 and name HD* )(resid 23 and name HD1*)3.5 1.7 1.5
assign (resid 64 and name HE* )(resid 23 and name HD1*)3.5 1.7 1.5

clas seq 

! NH(i)-NH(i+1)
assign (resid 15 and name HN )(resid 16 and name HN ) 4.5 2.7 0.5
assign (resid 17 and name HN )(resid 18 and name HN ) 4.5 2.7 0.5
assign (resid 20 and name HN )(resid 21 and name HN ) 2.3 0.5 0.5
assign (resid 21 and name HN )(resid 22 and name HN ) 2.3 0.5 0.5
assign (resid 22 and name HN )(resid 23 and name HN ) 2.3 0.5 0.5
assign (resid 23 and name HN )(resid 24 and name HN ) 4.5 2.7 0.5
assign (resid 24 and name HN )(resid 25 and name HN ) 2.3 0.5 0.5
assign (resid 25 and name HN )(resid 26 and name HN ) 4.5 2.7 0.5
assign (resid 28 and name HN )(resid 29 and name HN ) 4.5 2.7 0.5
assign (resid 30 and name HN )(resid 31 and name HN ) 4.5 2.7 0.5
assign (resid 33 and name HN )(resid 34 and name HN ) 2.3 0.5 0.5
assign (resid 36 and name HN )(resid 37 and name HN ) 4.5 2.7 0.5
assign (resid 44 and name HN )(resid 45 and name HN ) 3.0 1.2 0.5
assign (resid 45 and name HN )(resid 46 and name HN ) 2.3 0.5 0.5
assign (resid 46 and name HN )(resid 47 and name HN ) 2.3 0.5 0.5
assign (resid 50 and name HN )(resid 51 and name HN ) 4.5 2.7 0.5
assign (resid 54 and name HN )(resid 55 and name HN ) 2.3 0.5 0.5
assign (resid 55 and name HN )(resid 56 and name HN ) 4.5 2.7 0.5
assign (resid 56 and name HN )(resid 57 and name HN ) 3.0 1.2 0.5
assign (resid 57 and name HN )(resid 58 and name HN ) 2.3 0.5 0.5 
assign (resid 58 and name HN )(resid 59 and name HN ) 2.3 0.5 0.5 
assign (resid 59 and name HN )(resid 60 and name HN ) 2.3 0.5 0.5
assign (resid 60 and name HN )(resid 61 and name HN ) 2.3 0.5 0.5 
assign (resid 61 and name HN )(resid 62 and name HN ) 3.0 1.2 0.5 
assign (resid 62 and name HN )(resid 63 and name HN ) 2.3 0.5 0.5 
assign (resid 63 and name HN )(resid 64 and name HN ) 2.3 0.5 0.5 
assign (resid 64 and name HN )(resid 65 and name HN ) 2.3 0.5 0.5 
assign (resid 65 and name HN )(resid 66 and name HN ) 2.3 0.5 0.5 
assign (resid 66 and name HN )(resid 67 and name HN ) 2.3 0.5 0.5 
assign (resid 67 and name HN )(resid 68 and name HN ) 2.3 0.5 0.5 
assign (resid 68 and name HN )(resid 69 and name HN ) 2.3 0.5 0.5 

! HA(i)-NH(i+1)
assign (resid  2 and name HA )(resid  3 and name HN ) 4.5 2.7 1.0
assign (resid  3 and name HA )(resid  4 and name HN ) 4.5 2.7 1.0
assign (resid  4 and name HA )(resid  5 and name HN ) 4.5 2.7 1.0
assign (resid  5 and name HA )(resid  6 and name HD*) 4.5 2.7 1.0
assign (resid  6 and name HA )(resid  7 and name HN ) 4.5 2.7 1.0
assign (resid  7 and name HA )(resid  8 and name HN ) 4.5 2.7 1.0
assign (resid  8 and name HA )(resid  9 and name HN ) 3.0 1.2 0.5
assign (resid  9 and name HA )(resid 10 and name HN ) 3.0 1.2 0.5
assign (resid 10 and name HA )(resid 11 and name HN ) 4.5 2.7 1.0
assign (resid 11 and name HA )(resid 12 and name HN ) 3.0 1.2 0.5
assign (resid 12 and name HA )(resid 13 and name HN ) 2.3 0.5 0.5
assign (resid 13 and name HA )(resid 14 and name HN ) 2.3 0.5 0.5
assign (resid 14 and name HA )(resid 15 and name HN ) 2.3 0.5 0.5
assign (resid 15 and name HA )(resid 16 and name HN ) 3.0 1.2 0.5
assign (resid 16 and name HA )(resid 17 and name HN ) 2.3 0.5 0.5
assign (resid 17 and name HA )(resid 18 and name HN ) 3.0 1.2 0.5
assign (resid 19 and name HA )(resid 20 and name HN ) 2.3 0.5 0.5
assign (resid 20 and name HA )(resid 21 and name HN ) 3.0 1.2 0.5
assign (resid 21 and name HA )(resid 22 and name HN ) 3.0 1.2 0.5
assign (resid 22 and name HA )(resid 23 and name HN ) 3.5 1.7 0.5
assign (resid 23 and name HA )(resid 24 and name HN ) 2.3 0.5 0.5
assign (resid 24 and name HA )(resid 25 and name HN ) 3.5 1.7 0.5
assign (resid 25 and name HA )(resid 26 and name HN ) 2.3 0.5 0.5
assign (resid 26 and name HA )(resid 27 and name HN ) 2.3 0.5 0.5
assign (resid 27 and name HA )(resid 28 and name HN ) 2.3 0.5 0.5
assign (resid 28 and name HA )(resid 29 and name HN ) 2.3 0.5 0.5
assign (resid 29 and name HA )(resid 30 and name HN ) 2.3 0.5 0.5
assign (resid 30 and name HA )(resid 31 and name HN ) 3.0 1.2 0.5 
assign (resid 31 and name HA )(resid 32 and name HN ) 3.5 1.7 0.5
assign (resid 32 and name HA*)(resid 33 and name HN ) 3.0 1.2 1.0
assign (resid 33 and name HA )(resid 34 and name HN ) 3.0 1.2 0.5
assign (resid 35 and name HA )(resid 36 and name HN ) 3.0 1.2 0.5
assign (resid 36 and name HA )(resid 37 and name HN ) 2.3 0.5 0.5
assign (resid 37 and name HA )(resid 38 and name HN ) 2.3 0.5 0.5
assign (resid 38 and name HA )(resid 39 and name HN ) 2.3 0.5 0.5
assign (resid 39 and name HA )(resid 40 and name HN ) 2.3 0.5 0.5
assign (resid 40 and name HA )(resid 41 and name HN ) 2.3 0.5 0.5
assign (resid 41 and name HA )(resid 42 and name HN ) 2.3 0.5 0.5
assign (resid 42 and name HA )(resid 43 and name HN ) 2.3 0.5 0.5
assign (resid 43 and name HA )(resid 44 and name HN ) 2.3 0.5 0.5
assign (resid 44 and name HA )(resid 45 and name HN ) 3.5 1.7 0.5
assign (resid 45 and name HA )(resid 46 and name HN ) 3.5 1.7 0.5
assign (resid 46 and name HA )(resid 47 and name HN ) 3.0 1.2 0.5
assign (resid 47 and name HA )(resid 48 and name HN ) 2.3 0.5 0.5
assign (resid 48 and name HA )(resid 49 and name HN ) 2.3 0.5 0.5
assign (resid 49 and name HA )(resid 50 and name HN ) 2.3 0.5 0.5
assign (resid 50 and name HA )(resid 51 and name HN ) 2.3 0.5 0.5
assign (resid 51 and name HA )(resid 52 and name HN ) 2.3 0.5 0.5
assign (resid 54 and name HA )(resid 55 and name HN ) 3.0 1.2 0.5
assign (resid 55 and name HA )(resid 56 and name HN ) 2.3 0.5 0.5
assign (resid 56 and name HA )(resid 57 and name HN ) 3.0 1.2 0.5
assign (resid 57 and name HA )(resid 58 and name HN ) 3.0 1.2 0.5
assign (resid 58 and name HA )(resid 59 and name HN ) 3.0 1.2 0.5
assign (resid 59 and name HA )(resid 60 and name HN ) 3.0 1.2 0.5
assign (resid 60 and name HA )(resid 61 and name HN ) 3.0 1.2 0.5
assign (resid 61 and name HA )(resid 62 and name HN ) 3.0 1.2 0.5
assign (resid 62 and name HA )(resid 63 and name HN ) 3.0 1.2 0.5
assign (resid 63 and name HA )(resid 64 and name HN ) 3.0 1.2 0.5
assign (resid 64 and name HA )(resid 65 and name HN ) 3.0 1.2 0.5
assign (resid 65 and name HA )(resid 66 and name HN ) 3.0 1.2 0.5
assign (resid 66 and name HA )(resid 67 and name HN ) 3.0 1.2 0.5
assign (resid 67 and name HA )(resid 68 and name HN ) 3.0 1.2 0.5
assign (resid 68 and name HA )(resid 69 and name HN ) 3.0 1.2 0.5
assign (resid 69 and name HA )(resid 70 and name HD*) 3.0 1.2 1.5
assign (resid 70 and name HA )(resid 71 and name HN ) 3.0 1.2 0.5

! HB(i)-NH(i+1)

assign (resid  9 and name HB1)(resid 10 and name HN ) 3.5 1.7 0.5
assign (resid  9 and name HB2)(resid 10 and name HN ) 3.5 1.7 0.5
assign (resid 11 and name HB*)(resid 12 and name HN ) 3.0 1.2 1.5
assign (resid 12 and name HB*)(resid 13 and name HN ) 3.5 1.7 1.5
assign (resid 13 and name HB1)(resid 14 and name HN ) 2.5 0.7 0.5
assign (resid 14 and name HB*)(resid 15 and name HN ) 3.0 1.2 1.0
assign (resid 15 and name HB1)(resid 16 and name HN ) 3.5 1.7 1.5
assign (resid 19 and name HB1)(resid 20 and name HN ) 3.0 1.2 0.5
assign (resid 19 and name HB2)(resid 20 and name HN ) 3.0 1.2 0.5
assign (resid 20 and name HB1)(resid 21 and name HN ) 3.5 1.7 0.5
assign (resid 20 and name HB2)(resid 21 and name HN ) 3.0 1.2 0.5
assign (resid 21 and name HB1)(resid 22 and name HN ) 3.5 1.7 0.5
assign (resid 21 and name HB2)(resid 22 and name HN ) 3.5 1.7 0.5
assign (resid 22 and name HB2)(resid 23 and name HN ) 3.5 1.7 0.5
assign (resid 23 and name HB1)(resid 24 and name HN ) 3.0 1.2 0.5
assign (resid 24 and name HB1)(resid 25 and name HN ) 3.3 1.2 0.5
assign (resid 24 and name HB2)(resid 25 and name HN ) 3.3 1.2 0.5
assign (resid 25 and name HB1)(resid 26 and name HN ) 3.5 1.7 0.5
assign (resid 25 and name HB2)(resid 26 and name HN ) 3.5 1.7 0.5
assign (resid 26 and name HB1)(resid 27 and name HN ) 3.5 1.7 0.5
assign (resid 26 and name HB2)(resid 27 and name HN ) 3.0 1.2 0.5
assign (resid 27 and name HB*)(resid 28 and name HN ) 3.0 1.2 1.5
assign (resid 28 and name HB2)(resid 29 and name HN ) 3.0 1.2 1.0
assign (resid 29 and name HB )(resid 30 and name HN ) 3.5 1.7 0.5
assign (resid 35 and name HB2)(resid 36 and name HN ) 3.5 1.7 0.5
assign (resid 36 and name HB*)(resid 37 and name HN ) 3.0 1.2 1.5
assign (resid 37 and name HB*)(resid 38 and name HN ) 3.5 1.7 1.5
assign (resid 38 and name HB*)(resid 39 and name HN ) 2.3 0.5 0.5
assign (resid 39 and name HB )(resid 40 and name HN ) 3.5 1.7 0.5
assign (resid 41 and name HB1)(resid 42 and name HN ) 3.0 1.2 0.5
assign (resid 41 and name HB2)(resid 42 and name HN ) 3.5 1.7 0.5
assign (resid 42 and name HB1)(resid 43 and name HN ) 3.5 1.2 0.5
assign (resid 42 and name HB2)(resid 43 and name HN ) 3.5 1.2 0.5
assign (resid 43 and name HB )(resid 44 and name HN ) 2.3 0.5 0.5
assign (resid 45 and name HB2)(resid 46 and name HN ) 3.5 1.7 0.5
assign (resid 46 and name HB*)(resid 47 and name HN ) 3.5 1.7 1.0
assign (resid 47 and name HB1)(resid 48 and name HN ) 3.5 1.2 0.5
assign (resid 47 and name HB2)(resid 48 and name HN ) 3.5 1.2 0.5
assign (resid 48 and name HB1)(resid 49 and name HN ) 3.0 1.2 0.5
assign (resid 48 and name HB2)(resid 49 and name HN ) 3.5 1.7 0.5
assign (resid 49 and name HB )(resid 50 and name HN ) 3.5 1.7 0.5
assign (resid 50 and name HB1)(resid 51 and name HN ) 3.0 1.2 0.5
assign (resid 50 and name HB2)(resid 51 and name HN ) 3.5 1.7 0.5
assign (resid 51 and name HB*)(resid 52 and name HN ) 3.0 1.2 1.0
assign (resid 56 and name HB*)(resid 57 and name HN ) 3.0 1.2 1.5
assign (resid 57 and name HB1)(resid 58 and name HN ) 4.5 2.7 0.5
assign (resid 57 and name HB2)(resid 58 and name HN ) 4.5 2.7 0.5
assign (resid 58 and name HB )(resid 59 and name HN ) 3.0 1.2 0.5
assign (resid 59 and name HB*)(resid 60 and name HN ) 3.0 1.2 1.5
assign (resid 60 and name HB1)(resid 61 and name HN ) 3.0 1.2 0.5
assign (resid 60 and name HB2)(resid 61 and name HN ) 3.0 1.2 0.5
assign (resid 61 and name HB1)(resid 62 and name HN ) 3.0 1.2 0.5
assign (resid 62 and name HB*)(resid 63 and name HN ) 3.0 1.2 1.5
assign (resid 63 and name HB*)(resid 64 and name HN ) 2.3 0.5 1.5
assign (resid 64 and name HB*)(resid 65 and name HN ) 3.0 1.2 1.5
assign (resid 65 and name HB1)(resid 66 and name HN ) 3.0 1.2 0.5
assign (resid 65 and name HB2)(resid 66 and name HN ) 3.0 1.2 0.5
assign (resid 66 and name HB1)(resid 67 and name HN ) 3.5 1.7 0.5
assign (resid 66 and name HB2)(resid 67 and name HN ) 3.0 1.2 0.5
assign (resid 67 and name HB*)(resid 68 and name HN ) 3.0 1.2 1.0

! HG(i)-NH(i+1)

assign (resid  8 and name HG2*)(resid 9 and name HN ) 3.0 1.2 1.0
assign (resid 19 and name HG* )(resid 20 and name HN) 4.5 2.7 1.5
assign (resid 20 and name HG )(resid 21 and name HN ) 4.5 2.7 0.5
assign (resid 21 and name HG*)(resid 22 and name HN ) 3.5 1.7 1.5
assign (resid 29 and name HG2*)(resid 30 and name HN) 4.5 2.7 1.0
assign (resid 30 and name HG2*)(resid 31 and name HN) 4.5 2.7 1.0
assign (resid 21 and name HG*)(resid 22 and name HN ) 3.0 1.2 1.5
assign (resid 24 and name HG*)(resid 25 and name HN ) 4.5 2.7 1.5
assign (resid 28 and name HG*)(resid 29 and name HN ) 2.3 0.5 1.5
assign (resid 39 and name HG1*)(resid 40 and name HN) 3.0 1.2 1.0
assign (resid 39 and name HG2*)(resid 40 and name HN) 3.5 1.7 1.0
assign (resid 40 and name HG2*)(resid 41 and name HN) 2.3 0.5 1.0
assign (resid 43 and name HG*)(resid 44 and name HN ) 3.5 1.7 1.5
assign (resid 47 and name HG*)(resid 48 and name HN ) 3.5 1.7 1.5
assign (resid 49 and name HG2*)(resid 50 and name HN) 2.3 0.5 1.0
assign (resid 56 and name HG*)(resid 57 and name HN ) 3.0 1.2 1.5
assign (resid 58 and name HG2*)(resid 59 and name HN) 3.5 1.7 1.5
assign (resid 58 and name HG1*)(resid 59 and name HN) 3.0 1.2 1.5

! HD(i)-NH(i+1)

assign (resid 13 and name HD2*)(resid 14 and name HN) 3.5 1.7 1.0
assign (resid 23 and name HD2*)(resid 24 and name HN) 2.3 0.5 1.0
assign (resid 49 and name HD* )(resid 50 and name HN) 4.5 2.7 1.0
assign (resid 65 and name HD2*)(resid 66 and name HN) 4.5 2.7 1.0
assign (resid 65 and name HD1*)(resid 66 and name HN) 4.5 2.7 1.0

! Side-chain to HA contacts

assign (resid 58 and name HG1*)(resid 59 and name HA) 4.5 2.7 1.0 
assign (resid 64 and name HD* )(resid 65 and name HD2*)3.0 1.2 2.5
assign (resid 64 and name HD* )(resid 65 and name HD1*)4.5 2.7 2.5
assign (resid 64 and name HD* )(resid 65 and name HA  )3.5 1.7 2.5
assign (resid 64 and name HD* )(resid 63 and name HB* )3.5 1.7 3.5
assign (resid 64 and name HD* )(resid 65 and name HN  )3.5 1.7 3.5
assign (resid 64 and name HE* )(resid 65 and name HN  )5.0 2.2 3.5

! Other Sequential nOes

assign (resid 25 and name HA  )(resid 26 and name HD*)3.5 1.7 2.5
assign (resid 26 and name HD* )(resid 27 and name HA )3.5 1.7 2.8
assign (resid 65 and name HG  )(resid 64 and name HN ) 4.5 2.7 0.5

! Trp57

assign (resid 57 and name HE3)(resid 58 and name HG2*)4.5 2.7 1.0
assign (resid 57 and name HD1)(resid 58 and name HG2*)4.5 2.7 1.0
assign (resid 57 and name HZ2)(resid 58 and name HG2*)3.5 1.7 1.0
assign (resid 57 and name HZ3)(resid 58 and name HG2*)4.5 2.7 1.0
assign (resid 57 and name HE1)(resid 58 and name HG2*)3.5 1.7 1.0
assign (resid 57 and name HH2)(resid 58 and name HG2*)4.5 2.7 1.0
assign (resid 57 and name HZ3)(resid 58 and name HA  )4.5 2.7 0.5
assign (resid 57 and name HE3)(resid 58 and name HA  )3.0 1.2 0.5
assign (resid 57 and name HD1)(resid 58 and name HN  )5.0 3.2 0.5

! Trans Proline Sequential Contacts (ha(i-1)-hd*(Pro)) etc

assign (resid  6 and name HD*)(resid  5 and name HA ) 3.0 1.2 1.0
assign (resid 19 and name HD1)(resid 18 and name HA ) 2.3 0.5 0.5
assign (resid 19 and name HD2)(resid 18 and name HA ) 2.3 0.5 0.5
assign (resid 19 and name HD1)(resid 18 and name HG2*) 3.0 1.2 1.0
assign (resid 19 and name HD2)(resid 18 and name HG2*) 3.0 1.2 1.0
assign (resid 35 and name HD1)(resid 34 and name HA ) 2.3 0.5 0.5
assign (resid 35 and name HD2)(resid 34 and name HA ) 2.3 0.5 0.5
assign (resid 35 and name HD1)(resid 36 and name HN ) 3.5 1.7 0.5
assign (resid 35 and name HD2)(resid 36 and name HN ) 5.0 3.2 0.5
assign (resid 53 and name HD1)(resid 52 and name HA ) 2.3 0.5 0.5
assign (resid 53 and name HD2)(resid 52 and name HA ) 2.3 0.5 0.5

clas short 

!HA(i)-HN(i+2)

assign (resid 20 and name HA )(resid 22 and name HN ) 3.5 1.7 0.5
assign (resid 21 and name HA )(resid 23 and name HN ) 3.5 1.7 0.5
assign (resid 23 and name HA )(resid 25 and name HN ) 3.5 1.7 0.5
assign (resid 44 and name HA )(resid 46 and name HN ) 3.5 1.7 0.5
assign (resid 56 and name HA )(resid 58 and name HN ) 4.5 2.7 0.5
assign (resid 58 and name HA )(resid 60 and name HN ) 4.5 2.7 0.5
assign (resid 62 and name HA )(resid 64 and name HN ) 4.5 2.7 0.5

!HA(i)-HN(i+3) 

assign (resid 20 and name HA )(resid 23 and name HN ) 3.0 1.2 0.5
assign (resid 56 and name HA )(resid 59 and name HN ) 3.5 1.7 0.5
assign (resid 57 and name HA )(resid 60 and name HN ) 3.0 1.2 0.5 
assign (resid 58 and name HA )(resid 61 and name HN ) 3.0 1.2 0.5 
assign (resid 59 and name HA )(resid 62 and name HN ) 3.0 1.2 0.5 
assign (resid 60 and name HA )(resid 63 and name HN ) 3.0 1.2 0.5 
assign (resid 61 and name HA )(resid 64 and name HN ) 3.0 1.2 0.5 
assign (resid 62 and name HA )(resid 65 and name HN ) 3.0 1.2 0.5
assign (resid 63 and name HA )(resid 66 and name HN ) 3.0 1.2 0.5
assign (resid 64 and name HA )(resid 67 and name HN ) 3.0 1.2 0.5
assign (resid 65 and name HA )(resid 68 and name HN ) 3.0 1.2 0.5

!HA(i)-HN(i+4) 

assign (resid 56 and name HA )(resid 60 and name HN ) 3.5 1.7 0.5
assign (resid 58 and name HA )(resid 62 and name HN ) 3.5 1.7 0.5 
assign (resid 59 and name HA )(resid 63 and name HN ) 3.5 1.7 0.5
assign (resid 60 and name HA )(resid 64 and name HN ) 3.5 1.7 0.5
assign (resid 62 and name HA )(resid 66 and name HN ) 3.5 1.7 0.5
assign (resid 63 and name HA )(resid 67 and name HN ) 3.5 1.7 0.5

!NH-NH(i+2)

assign (resid 20 and name HN )(resid 22 and name HN ) 3.5 1.7 0.5
assign (resid 21 and name HN )(resid 23 and name HN ) 4.5 2.7 0.5
assign (resid 45 and name HN )(resid 47 and name HN ) 4.5 2.7 0.5
assign (resid 56 and name HN )(resid 58 and name HN ) 4.5 2.7 0.5
assign (resid 57 and name HN )(resid 59 and name HN ) 3.5 1.7 0.5
assign (resid 58 and name HN )(resid 60 and name HN ) 3.5 1.7 0.5
assign (resid 59 and name HN )(resid 61 and name HN ) 4.5 2.7 0.5

!NH-NH(i+3,4)

assign (resid 58 and name HN )(resid 61 and name HN ) 4.5 2.7 0.5
assign (resid 43 and name HN )(resid 47 and name HN ) 3.5 1.7 0.5

!BH-NH(i+2)

assign (resid 19 and name HB2)(resid 21 and name HN ) 3.0 1.2 0.5
assign (resid 34 and name HB1)(resid 36 and name HN ) 5.0 3.2 0.5
assign (resid 34 and name HB2)(resid 36 and name HN ) 5.0 3.2 0.5
assign (resid 43 and name HB )(resid 45 and name HN ) 3.5 1.7 0.5

!HA(i)-HB(i+3) 

assign (resid 58 and name HA )(resid 61 and name HB1) 3.0 1.2 0.5
assign (resid 58 and name HA )(resid 61 and name HB2) 2.3 0.5 0.5
assign (resid 57 and name HA )(resid 60 and name HB1) 3.0 1.2 0.5
assign (resid 57 and name HA )(resid 60 and name HB2) 3.0 1.2 0.5
assign (resid 60 and name HA )(resid 63 and name HB*) 3.0 1.2 1.5
assign (resid 61 and name HA )(resid 64 and name HB*) 3.0 1.2 1.5
assign (resid 63 and name HA )(resid 66 and name HB1) 3.5 1.7 0.5
assign (resid 63 and name HA )(resid 66 and name HB2) 3.5 1.7 0.5

!HA(i)-HD*(i+3)

assign (resid 20 and name HA )(resid 23 and name HD1*)2.3 0.5 1.0
assign (resid 20 and name HA )(resid 23 and name HD2*)4.5 2.7 1.0
assign (resid 62 and name HA )(resid 65 and name HD1*)3.5 1.2 1.0

!Short Range side-chain to NH contacts

assign (resid 26 and name HD* )(resid 28 and name HN) 3.5 1.7 2.5
assign (resid 29 and name HG2*)(resid 31 and name HN) 3.0 1.2 1.0
assign (resid 29 and name HG2*)(resid 31 and name HB1) 4.5 2.7 1.0
assign (resid 29 and name HG2*)(resid 31 and name HB2) 4.5 2.7 1.0
assign (resid 58 and name HG1*)(resid 62 and name HN) 3.5 1.7 1.0
assign (resid 58 and name HG2*)(resid 55 and name HN) 3.5 1.7 1.0
assign (resid 58 and name HG1*)(resid 55 and name HN) 3.5 1.7 1.0
assign (resid 58 and name HB  )(resid 55 and name HN) 3.0 1.2 0.5
assign (resid 55 and name HB1 )(resid 58 and name HN) 3.5 1.7 0.5
assign (resid 55 and name HB2 )(resid 58 and name HN) 3.5 1.7 0.5

!Short range side chain - side chain

assign (resid 10 and name HB* )(resid 13 and name HD2*)3.5 1.7 1.5
assign (resid 11 and name HZ  )(resid  9 and name HB2)3.5 1.7 0.5
assign (resid 11 and name HZ  )(resid  9 and name HB1)6.0 4.2 0.5
assign (resid 26 and name HE* )(resid 28 and name HB*)3.0 1.2 3.0
assign (resid 31 and name HB1 )(resid 34 and name HN )3.5 1.7 0.5
assign (resid 57 and name HE1 )(resid 55 and name HA )5.0 3.2 0.5
assign (resid 57 and name HE1 )(resid 55 and name HB*)3.0 1.2 1.0
assign (resid 61 and name HG  )(resid 57 and name HE3)3.0 1.2 0.5
assign (resid 61 and name HB2 )(resid 57 and name HE3)3.5 1.7 0.5
assign (resid 61 and name HB2 )(resid 57 and name HZ3)5.0 3.2 0.5
assign (resid 11 and name HD* )(resid 9  and name HB2)3.5 1.7 2.5
assign (resid 11 and name HE* )(resid 9  and name HB1)3.5 1.7 2.5
assign (resid 11 and name HE* )(resid 9  and name HB2)3.5 1.7 2.5
assign (resid 39 and name HG1*)(resid 41 and name HD*)3.5 1.7 2.5
assign (resid 39 and name HG1*)(resid 41 and name HE*)3.0 1.2 2.5
assign (resid 64 and name HD* )(resid 61 and name HA )3.5 1.7 2.5

clas intra 

assign (resid  3 and name HA )(resid  3 and name HN ) 5.0 3.2 0.5 
assign (resid  4 and name HA )(resid  4 and name HN ) 5.0 3.2 0.5 
assign (resid  5 and name HA )(resid  5 and name HN ) 5.0 3.2 0.5 
assign (resid  7 and name HA )(resid  7 and name HN ) 5.0 3.2 0.5 
assign (resid  8 and name HA )(resid  8 and name HN ) 3.0 1.2 0.5
assign (resid  9 and name HA )(resid  9 and name HN ) 3.0 1.2 0.5 
assign (resid 10 and name HA )(resid 10 and name HN ) 3.5 1.7 0.5 
assign (resid 12 and name HA )(resid 12 and name HN ) 3.5 1.7 0.5 
assign (resid 13 and name HA )(resid 13 and name HN ) 3.5 1.7 0.5 
assign (resid 14 and name HA )(resid 14 and name HN ) 3.5 1.7 0.5 
assign (resid 15 and name HA )(resid 15 and name HN ) 3.5 1.7 0.5 
assign (resid 16 and name HA )(resid 16 and name HN ) 3.0 1.2 0.5 
assign (resid 17 and name HA )(resid 17 and name HN ) 3.0 1.2 0.5 
assign (resid 18 and name HA )(resid 18 and name HN ) 3.5 1.7 0.5 
assign (resid 20 and name HA )(resid 20 and name HN ) 3.0 1.2 0.5
assign (resid 21 and name HA )(resid 21 and name HN ) 2.3 0.5 0.5 
assign (resid 22 and name HA )(resid 22 and name HN ) 3.0 1.2 0.5
assign (resid 23 and name HA )(resid 23 and name HN ) 3.0 1.2 0.5 
assign (resid 24 and name HA )(resid 24 and name HN ) 3.5 1.7 0.5 
assign (resid 25 and name HA )(resid 25 and name HN ) 3.0 1.2 0.5
assign (resid 26 and name HA )(resid 26 and name HN ) 3.5 1.7 0.5 
assign (resid 27 and name HA )(resid 27 and name HN ) 3.0 1.2 0.5
assign (resid 28 and name HA )(resid 28 and name HN ) 3.5 1.7 0.5
assign (resid 30 and name HA )(resid 30 and name HN ) 3.0 1.2 0.5
assign (resid 31 and name HA )(resid 31 and name HN ) 2.3 0.5 0.5
assign (resid 32 and name HA*)(resid 32 and name HN ) 2.3 1.2 1.0
assign (resid 33 and name HA )(resid 33 and name HN ) 3.0 1.2 0.5
assign (resid 34 and name HA )(resid 34 and name HN ) 3.5 1.7 0.5
assign (resid 36 and name HA )(resid 36 and name HN ) 3.5 1.7 0.5
assign (resid 37 and name HA )(resid 37 and name HN ) 4.5 2.7 0.5
assign (resid 38 and name HA )(resid 38 and name HN ) 3.0 1.2 0.5 
assign (resid 39 and name HA )(resid 39 and name HN ) 3.5 1.7 0.5 
assign (resid 40 and name HA )(resid 40 and name HN ) 3.5 1.7 0.5 
assign (resid 41 and name HA )(resid 41 and name HN ) 3.5 1.7 0.5 
assign (resid 42 and name HA )(resid 42 and name HN ) 3.5 1.7 0.5 
assign (resid 43 and name HA )(resid 43 and name HN ) 3.5 1.7 0.5 
assign (resid 44 and name HA )(resid 44 and name HN ) 3.5 1.7 0.5
assign (resid 45 and name HA )(resid 45 and name HN ) 3.0 1.2 0.5
assign (resid 46 and name HA )(resid 46 and name HN ) 2.3 0.5 0.5
assign (resid 47 and name HA )(resid 47 and name HN ) 3.0 1.2 0.5
assign (resid 48 and name HA )(resid 48 and name HN ) 3.0 1.2 0.5 
assign (resid 49 and name HA )(resid 49 and name HN ) 3.5 1.7 0.5
assign (resid 50 and name HA )(resid 50 and name HN ) 3.5 1.7 0.5
assign (resid 51 and name HA )(resid 51 and name HN ) 3.0 1.2 0.5
assign (resid 52 and name HA )(resid 52 and name HN ) 3.5 1.7 0.5
assign (resid 54 and name HA )(resid 54 and name HN ) 3.0 1.2 0.5
assign (resid 55 and name HA )(resid 55 and name HN ) 3.0 1.2 0.5
assign (resid 56 and name HA )(resid 56 and name HN ) 2.3 0.5 0.5
assign (resid 57 and name HA )(resid 57 and name HN ) 2.3 0.5 0.5 
assign (resid 58 and name HA )(resid 58 and name HN ) 3.0 1.2 0.5 
assign (resid 59 and name HA )(resid 59 and name HN ) 2.3 0.5 0.5 
assign (resid 60 and name HA )(resid 60 and name HN ) 2.3 0.5 0.5
assign (resid 61 and name HA )(resid 61 and name HN ) 2.3 0.5 0.5 
assign (resid 62 and name HA )(resid 62 and name HN ) 2.3 0.5 0.5 
assign (resid 63 and name HA )(resid 63 and name HN ) 2.3 0.5 0.5 
assign (resid 64 and name HA )(resid 64 and name HN ) 2.3 0.5 0.5 
assign (resid 65 and name HA )(resid 65 and name HN ) 2.3 0.5 0.5 
assign (resid 66 and name HA )(resid 66 and name HN ) 2.3 0.5 0.5 
assign (resid 67 and name HA )(resid 67 and name HN ) 2.3 0.5 0.5
assign (resid 68 and name HA )(resid 68 and name HN ) 2.3 0.5 0.5
assign (resid 71 and name HA )(resid 71 and name HN ) 4.5 2.7 0.5
assign (resid 73 and name HA )(resid 73 and name HN ) 4.5 2.7 0.5

! HN-HB

assign (resid  3 and name HN )(resid  3 and name HB*) 3.0 1.2 1.0
assign (resid  5 and name HN )(resid  5 and name HB ) 3.0 1.2 0.5
assign (resid  7 and name HN )(resid  7 and name HB ) 3.0 1.2 0.5
assign (resid  8 and name HN )(resid  8 and name HB ) 3.5 1.2 0.5
assign (resid  9 and name HN )(resid  9 and name HB1) 3.5 1.7 0.5
assign (resid  9 and name HN )(resid  9 and name HB2) 2.3 0.5 0.5
assign (resid 13 and name HN )(resid 13 and name HB2) 3.0 1.2 0.5
assign (resid 13 and name HN )(resid 13 and name HB1) 4.0 1.2 0.5
assign (resid 14 and name HN )(resid 14 and name HB*) 3.0 1.2 1.0
assign (resid 15 and name HN )(resid 15 and name HB*) 3.0 1.2 1.5
assign (resid 16 and name HN )(resid 16 and name HB*) 2.3 0.5 1.5
assign (resid 17 and name HN )(resid 17 and name HB*) 2.3 0.5 1.5
assign (resid 18 and name HN )(resid 18 and name HB ) 3.0 1.2 0.5
assign (resid 20 and name HN )(resid 20 and name HB1) 3.5 1.7 0.5
assign (resid 20 and name HN )(resid 20 and name HB2) 2.3 0.5 0.5
assign (resid 21 and name HN )(resid 21 and name HB1) 3.0 1.2 0.5
assign (resid 21 and name HN )(resid 21 and name HB2) 3.0 1.2 0.5
assign (resid 22 and name HN )(resid 22 and name HB1) 2.3 0.5 0.5
assign (resid 22 and name HN )(resid 22 and name HB2) 2.3 0.5 0.5
assign (resid 23 and name HN )(resid 23 and name HB1) 4.0 2.2 0.5
assign (resid 23 and name HN )(resid 23 and name HB2) 3.0 1.2 0.5
assign (resid 24 and name HN )(resid 24 and name HB1) 3.0 1.2 0.5
assign (resid 24 and name HN )(resid 24 and name HB2) 3.0 1.2 0.5
assign (resid 26 and name HN )(resid 26 and name HB1) 3.0 1.2 0.5
assign (resid 26 and name HN )(resid 26 and name HB2) 3.5 1.7 0.5
assign (resid 27 and name HN )(resid 27 and name HB1) 3.5 1.7 0.5
assign (resid 27 and name HN )(resid 27 and name HB2) 3.5 1.7 0.5
assign (resid 28 and name HN )(resid 28 and name HB1) 3.0 1.2 0.5
assign (resid 28 and name HN )(resid 28 and name HB2) 3.0 1.2 0.5
assign (resid 29 and name HN )(resid 29 and name HB ) 2.3 0.5 0.5
assign (resid 30 and name HN )(resid 30 and name HB ) 3.5 1.7 0.5
assign (resid 31 and name HN )(resid 31 and name HB1) 3.5 1.7 0.5
assign (resid 31 and name HN )(resid 31 and name HB2) 3.5 1.7 0.5
assign (resid 34 and name HN )(resid 34 and name HB1) 3.5 2.7 0.5
assign (resid 34 and name HN )(resid 34 and name HB2) 3.0 1.2 0.5
assign (resid 36 and name HN )(resid 36 and name HB*) 3.0 1.2 1.5
assign (resid 38 and name HN )(resid 38 and name HB*) 3.0 1.2 1.0
assign (resid 39 and name HN )(resid 39 and name HB ) 3.0 1.2 0.5
assign (resid 40 and name HN )(resid 40 and name HB ) 3.0 1.2 0.5
assign (resid 41 and name HN )(resid 41 and name HB2) 3.0 1.2 0.5
assign (resid 41 and name HN )(resid 41 and name HB1) 3.5 1.7 0.5
assign (resid 42 and name HN )(resid 42 and name HB*) 3.0 1.2 1.5
assign (resid 44 and name HN )(resid 44 and name HB*) 2.3 0.5 1.5
assign (resid 45 and name HN )(resid 45 and name HB1) 3.0 1.2 0.5
assign (resid 45 and name HN )(resid 45 and name HB2) 3.5 1.7 0.5
assign (resid 46 and name HN )(resid 46 and name HB*) 3.0 1.2 1.0
assign (resid 47 and name HN )(resid 47 and name HB*) 3.0 1.2 1.5
assign (resid 48 and name HN )(resid 48 and name HB1) 3.5 1.7 0.5
assign (resid 48 and name HN )(resid 48 and name HB2) 2.3 0.5 0.5
assign (resid 49 and name HN )(resid 49 and name HB ) 3.0 1.2 0.5
assign (resid 50 and name HN )(resid 50 and name HB2) 3.0 1.2 0.5
assign (resid 50 and name HN )(resid 50 and name HB1) 3.5 1.7 0.5
assign (resid 51 and name HN )(resid 51 and name HB*) 3.0 1.2 1.0
assign (resid 52 and name HN )(resid 52 and name HB1) 3.0 1.2 0.5
assign (resid 52 and name HN )(resid 52 and name HB2) 3.0 1.2 0.5
assign (resid 54 and name HN )(resid 54 and name HB*) 3.0 1.2 1.5
assign (resid 56 and name HN )(resid 56 and name HB*) 2.3 0.5 1.5
assign (resid 57 and name HN )(resid 57 and name HB1) 2.3 0.5 0.5
assign (resid 57 and name HN )(resid 57 and name HB2) 3.5 1.7 1.0
assign (resid 58 and name HN )(resid 58 and name HB ) 2.3 0.5 0.5
assign (resid 59 and name HN )(resid 59 and name HB*) 3.0 1.2 1.0
assign (resid 60 and name HN )(resid 60 and name HB1) 3.0 1.2 0.5
assign (resid 60 and name HN )(resid 60 and name HB2) 3.0 1.2 0.5
assign (resid 61 and name HN )(resid 61 and name HB1) 3.5 1.7 0.5
assign (resid 65 and name HN )(resid 65 and name HB1) 3.5 1.7 0.5
assign (resid 65 and name HN )(resid 65 and name HB2) 3.0 1.2 0.5
assign (resid 66 and name HN )(resid 66 and name HB1) 3.5 1.7 0.5
assign (resid 66 and name HN )(resid 66 and name HB2) 2.3 0.5 0.5

! HN-HG*

assign (resid  5 and name HN )(resid  5 and name HG1*)3.5 1.7 1.0
assign (resid  5 and name HN )(resid  5 and name HG2*)3.5 1.7 1.0
assign (resid  7 and name HN )(resid  7 and name HG2*)4.0 2.2 1.0
assign (resid  8 and name HN )(resid  8 and name HG2*)4.0 2.2 1.0
assign (resid 13 and name HN )(resid 13 and name HG  )3.0 1.2 0.5
assign (resid 16 and name HN )(resid 16 and name HG* )3.0 1.2 1.5
assign (resid 17 and name HN )(resid 17 and name HG1 )3.5 1.7 0.5
assign (resid 17 and name HN )(resid 17 and name HG2 )3.5 1.7 0.5
assign (resid 18 and name HN )(resid 18 and name HG2*)3.5 1.7 1.0
assign (resid 20 and name HN )(resid 20 and name HG  )3.0 1.2 0.5
assign (resid 21 and name HN )(resid 21 and name HG* )3.0 1.2 1.5
assign (resid 22 and name HN )(resid 22 and name HG* )3.0 1.2 1.5
assign (resid 23 and name HN )(resid 23 and name HG  )3.0 1.2 0.5
assign (resid 24 and name HN )(resid 24 and name HG* )4.0 2.2 1.5
assign (resid 27 and name HN )(resid 27 and name HG* )3.5 1.7 1.5
assign (resid 28 and name HN )(resid 28 and name HG* )4.0 2.2 1.5
assign (resid 29 and name HN )(resid 29 and name HG2*)3.5 1.7 1.0
assign (resid 29 and name HN )(resid 29 and name HG11)4.5 2.7 0.5
assign (resid 29 and name HN )(resid 29 and name HG12)4.5 2.7 0.5
assign (resid 30 and name HN )(resid 30 and name HG2*)4.0 2.2 1.0
assign (resid 40 and name HN )(resid 40 and name HG2*)4.0 2.2 1.0
assign (resid 40 and name HN )(resid 40 and name HG* )4.0 2.2 1.5
assign (resid 43 and name HN )(resid 43 and name HG2*)2.3 0.5 1.0
assign (resid 49 and name HN )(resid 49 and name HG11)4.5 2.7 0.5
assign (resid 49 and name HN )(resid 49 and name HG12)4.5 2.7 0.5
assign (resid 49 and name HN )(resid 49 and name HG2*)4.5 1.7 1.0
assign (resid 39 and name HN )(resid 39 and name HG1*)4.0 2.2 1.0
assign (resid 39 and name HN )(resid 39 and name HG2*)3.0 1.2 1.0
assign (resid 56 and name HN )(resid 56 and name HG* )4.0 2.2 1.5
assign (resid 58 and name HN )(resid 58 and name HG2*)3.0 1.2 1.0
assign (resid 58 and name HN )(resid 58 and name HG1*)3.5 1.7 1.0
assign (resid 65 and name HN )(resid 65 and name HG  )2.3 0.5 0.5

! HN-HD

assign (resid 13 and name HN )(resid 13 and name HD1* )3.0 1.2 1.0
assign (resid 20 and name HN )(resid 20 and name HD1*)3.5 1.7 1.0
assign (resid 20 and name HN )(resid 20 and name HD2*)3.5 1.7 1.0
assign (resid 23 and name HN )(resid 23 and name HD1* )4.5 2.7 1.0
assign (resid 23 and name HN )(resid 23 and name HD2* )4.5 2.7 1.0
assign (resid 29 and name HN )(resid 29 and name HD* )4.5 2.7 1.0
assign (resid 57 and name HN )(resid 57 and name HD1 )3.0 1.2 0.5
assign (resid 57 and name HD1)(resid 57 and name HB* )3.0 1.2 1.0
assign (resid 65 and name HN )(resid 65 and name HD1*)4.5 2.7 1.0
assign (resid 65 and name HN )(resid 65 and name HD2*)3.5 1.7 1.0

! HA-HB*

assign (resid  9 and name HA )(resid  9 and name HB1 )2.3 0.5 0.5
assign (resid  9 and name HA )(resid  9 and name HB2 )3.5 1.7 0.5
assign (resid 11 and name HA )(resid 11 and name HB1 )3.5 1.7 0.5
assign (resid 11 and name HA )(resid 11 and name HB2 )3.5 1.7 0.5
assign (resid 12 and name HA )(resid 12 and name HB1 )3.0 1.2 0.5
assign (resid 12 and name HA )(resid 12 and name HB2 )3.0 1.2 0.5
assign (resid 13 and name HA )(resid 13 and name HB1 )3.0 1.2 0.5
assign (resid 13 and name HA )(resid 13 and name HB2 )3.5 1.7 0.5
assign (resid 14 and name HA )(resid 14 and name HB* )3.0 1.2 1.0
assign (resid 15 and name HA )(resid 15 and name HB* )3.0 1.2 1.5
assign (resid 16 and name HA )(resid 16 and name HB* )3.0 1.2 1.5
assign (resid 18 and name HA )(resid 18 and name HB  )3.5 1.7 0.5
assign (resid 19 and name HA )(resid 19 and name HB1 )3.0 1.2 0.5
assign (resid 19 and name HA )(resid 19 and name HB2 )3.0 1.2 0.5
assign (resid 20 and name HA )(resid 20 and name HB1 )3.5 1.7 0.5
assign (resid 20 and name HA )(resid 20 and name HB2 )3.5 1.7 0.5
assign (resid 21 and name HA )(resid 21 and name HB1 )3.5 1.7 0.5
assign (resid 21 and name HA )(resid 21 and name HB2 )2.3 0.5 0.5
assign (resid 23 and name HA )(resid 23 and name HB1 )2.3 0.5 0.5
assign (resid 23 and name HA )(resid 23 and name HB2 )3.5 1.7 0.5
assign (resid 25 and name HA )(resid 25 and name HB1 )3.0 1.2 0.5
assign (resid 25 and name HA )(resid 25 and name HB2 )3.0 1.2 0.5
assign (resid 26 and name HA )(resid 26 and name HB1 )2.3 0.5 0.5
assign (resid 26 and name HA )(resid 26 and name HB2 )2.3 0.5 0.5
assign (resid 29 and name HA )(resid 29 and name HB  )3.5 1.7 0.5
assign (resid 31 and name HA )(resid 31 and name HB1 )3.5 1.7 0.5
assign (resid 31 and name HA )(resid 31 and name HB2 )3.5 1.7 0.5
assign (resid 34 and name HA )(resid 34 and name HB1 )2.3 0.5 0.5
assign (resid 34 and name HA )(resid 34 and name HB2 )3.5 1.7 0.5
assign (resid 36 and name HA )(resid 36 and name HB* )3.5 1.7 1.5
assign (resid 39 and name HA )(resid 39 and name HB  )3.5 1.7 0.5
assign (resid 41 and name HA )(resid 41 and name HB2 )3.5 1.7 0.5
assign (resid 41 and name HA )(resid 41 and name HB1 )3.0 1.2 0.5
assign (resid 45 and name HA )(resid 45 and name HB1 )3.0 1.2 0.5
assign (resid 48 and name HA )(resid 48 and name HB1 )2.3 0.5 0.5
assign (resid 48 and name HA )(resid 48 and name HB2 )3.5 1.7 0.5
assign (resid 49 and name HA )(resid 49 and name HB  )3.5 1.7 0.5
assign (resid 50 and name HA )(resid 50 and name HB2 )3.5 1.7 0.5
assign (resid 50 and name HA )(resid 50 and name HB1 )3.0 1.2 0.5
assign (resid 57 and name HA )(resid 57 and name HB1 )2.3 0.5 0.5
assign (resid 57 and name HA )(resid 57 and name HB2 )2.3 0.5 0.5
assign (resid 58 and name HA )(resid 58 and name HB  )3.5 1.7 0.5
assign (resid 60 and name HA )(resid 60 and name HB1 )3.5 1.7 0.5
assign (resid 60 and name HA )(resid 60 and name HB2 )2.3 0.5 0.5
assign (resid 61 and name HA )(resid 61 and name HB1 )3.0 1.2 0.5
assign (resid 65 and name HA )(resid 65 and name HB1 )2.3 0.5 0.5
assign (resid 65 and name HA )(resid 65 and name HB2 )3.5 1.7 0.5
assign (resid 66 and name HA )(resid 66 and name HB1 )2.3 0.5 0.5
assign (resid 66 and name HA )(resid 66 and name HB2 )3.5 1.7 0.5

! HA-HG*

assign (resid 18 and name HA )(resid 18 and name HG2*)2.3 0.5 1.0
assign (resid 29 and name HA )(resid 29 and name HG2*)3.0 1.2 1.0
assign (resid 49 and name HA )(resid 49 and name HG2*)3.0 1.2 1.0
assign (resid 59 and name HA )(resid 59 and name HG* )3.0 1.2 1.0
assign (resid 58 and name HA )(resid 58 and name HG1*)2.3 0.5 1.0
assign (resid 58 and name HA )(resid 58 and name HG2*)2.3 0.5 1.0
assign (resid 39 and name HA )(resid 39 and name HG1*)3.0 1.2 1.0
assign (resid 39 and name HA )(resid 39 and name HG2*)3.5 1.7 1.0

! HA-HD*

assign (resid 13 and name HA )(resid 13 and name HD1*)3.5 1.7 1.0
assign (resid 13 and name HA )(resid 13 and name HD2*)3.0 1.2 1.0
assign (resid 20 and name HA )(resid 20 and name HD1*)4.5 2.7 1.0
assign (resid 20 and name HA )(resid 20 and name HD2*)3.0 1.2 1.0
assign (resid 23 and name HA )(resid 23 and name HD1*)4.5 2.7 1.0
assign (resid 23 and name HA )(resid 23 and name HD2*)3.0 1.2 1.0
assign (resid 45 and name HA )(resid 45 and name HD2*)3.0 1.2 1.0
assign (resid 65 and name HA )(resid 65 and name HD2*)3.0 1.2 1.0
assign (resid 65 and name HA )(resid 65 and name HD1*)4.5 2.7 1.0

! Trp57

assign (resid 57 and name HD1)(resid 57 and name HN  )4.0 2.2 0.5
assign (resid 57 and name HD1)(resid 57 and name HA  )4.0 2.2 0.5
assign (resid 57 and name HD1)(resid 57 and name HB1 )2.3 0.5 0.5
assign (resid 57 and name HD1)(resid 57 and name HB2 )4.0 2.2 0.5
assign (resid 57 and name HE3)(resid 57 and name HB1 )4.0 2.2 0.5
assign (resid 57 and name HE3)(resid 57 and name HB2 )2.3 0.5 0.5


assign (resid 26 and name HD*)(resid 26 and name HB1 )3.0 1.2 2.5
assign (resid 26 and name HD*)(resid 26 and name HB2 )3.0 1.2 2.5
assign (resid 26 and name HD*)(resid 26 and name HA  )3.5 1.7 2.5
assign (resid 26 and name HD*)(resid 26 and name HN  )3.0 1.2 2.5
assign (resid 41 and name HD*)(resid 41 and name HN  )3.5 1.7 2.5
assign (resid 41 and name HD*)(resid 41 and name HA  )3.0 1.2 2.5
assign (resid 41 and name HD*)(resid 41 and name HB1 )3.0 2.2 2.5
assign (resid 41 and name HD*)(resid 41 and name HB2 )3.0 2.2 2.5
assign (resid 41 and name HA  )(resid 41 and name HE*)4.5 2.7 2.5
assign (resid 64 and name HD*)(resid 64 and name HN  )5.0 2.2 2.5
assign (resid 64 and name HD*)(resid 64 and name HA  )2.3 0.5 2.5
assign (resid 64 and name HD*)(resid 64 and name HB* )2.3 0.5 2.5

! phi restraints

assign (resid    8 and name c )   (resid   9 and name n )
       (resid    9 and name ca)   (resid   9 and name c )  1.0 -120 40 2
assign (resid   15 and name c )   (resid  16 and name n )
       (resid   16 and name ca)   (resid  16 and name c )  1.0 -70 40 2
assign (resid   16 and name c )   (resid  17 and name n )
       (resid   17 and name ca)   (resid  17 and name c )  1.0 -60 40 2
assign (resid   17 and name c )   (resid  18 and name n )
       (resid   18 and name ca)   (resid  18 and name c )  1.0 -120 30 2
assign (resid   19 and name c )   (resid  20 and name n )
       (resid   20 and name ca)   (resid  20 and name c )  1.0 -40 40 2
assign (resid   20 and name c )   (resid  21 and name n )
       (resid   21 and name ca)   (resid  21 and name c )  1.0 -60 25 2
assign (resid   21 and name c )   (resid  22 and name n )
       (resid   22 and name ca)   (resid  22 and name c )  1.0 -80 30 2
assign (resid   22 and name c )   (resid  23 and name n )
       (resid   23 and name ca)   (resid  23 and name c )  1.0 -60 25 2
assign (resid   23 and name c )   (resid  24 and name n )
       (resid   24 and name ca)   (resid  24 and name c )  1.0 -120 30 2
assign (resid   24 and name c )   (resid  25 and name n )
       (resid   25 and name ca)   (resid  25 and name c )  1.0 -150 30 2
assign (resid   25 and name c )   (resid  26 and name n )
       (resid   26 and name ca)   (resid  26 and name c )  1.0 -120 50 2
assign (resid   26 and name c )   (resid  27 and name n )
       (resid   27 and name ca)   (resid  27 and name c )  1.0 -120 40 2
assign (resid   30 and name c )   (resid  31 and name n )
       (resid   31 and name ca)   (resid  31 and name c )  1.0 -80 30 2
assign (resid   32 and name c )   (resid  33 and name n )
       (resid   33 and name ca)   (resid  33 and name c )  1.0 -120 50 2
assign (resid   35 and name c )   (resid  36 and name n )
       (resid   36 and name ca)   (resid  36 and name c )  1.0 -120 40 2
assign (resid   37 and name c )   (resid  38 and name n )
       (resid   38 and name ca)   (resid  38 and name c )  1.0 -150 30 2
assign (resid   38 and name c )   (resid  39 and name n )
       (resid   39 and name ca)   (resid  39 and name c )  1.0 -150 30 2
assign (resid   39 and name c )   (resid  40 and name n )
       (resid   40 and name ca)   (resid  40 and name c )  1.0 -120 40 2
assign (resid   40 and name c )   (resid  41 and name n )
       (resid   41 and name ca)   (resid  41 and name c )  1.0 -120 40 2
assign (resid   41 and name c )   (resid  42 and name n )
       (resid   42 and name ca)   (resid  42 and name c )  1.0 -120 30 2
assign (resid   42 and name c )   (resid  43 and name n )
       (resid   43 and name ca)   (resid  43 and name c )  1.0 -120 30 2
assign (resid   43 and name c )   (resid  44 and name n )
       (resid   44 and name ca)   (resid  44 and name c )  1.0 -120 40 2
assign (resid   44 and name c )   (resid  45 and name n )
       (resid   45 and name ca)   (resid  45 and name c )  1.0 -120 40 2
assign (resid   45 and name c )   (resid  46 and name n )
       (resid   46 and name ca)   (resid  46 and name c )  1.0 60 30 2
assign (resid   46 and name c )   (resid  47 and name n )
       (resid   47 and name ca)   (resid  47 and name c )  1.0 -140 30 2
assign (resid   47 and name c )   (resid  48 and name n )
       (resid   48 and name ca)   (resid  48 and name c )  1.0 -120 60 2
assign (resid   48 and name c )   (resid  49 and name n )
       (resid   49 and name ca)   (resid  49 and name c )  1.0 -130 30 2
assign (resid   49 and name c )   (resid  50 and name n )
       (resid   50 and name ca)   (resid  50 and name c )  1.0 -80 40 2
assign (resid   50 and name c )   (resid  51 and name n )
       (resid   51 and name ca)   (resid  51 and name c )  1.0 -135 25 2
assign (resid   51 and name c )   (resid  52 and name n )
       (resid   52 and name ca)   (resid  52 and name c )  1.0 -130 40 2
assign (resid   53 and name c )   (resid  54 and name n )
       (resid   54 and name ca)   (resid  54 and name c )  1.0 -80 30 2
assign (resid   54 and name c )   (resid  55 and name n )
       (resid   55 and name ca)   (resid  55 and name c )  1.0 -70 30 2
assign (resid   55 and name c )   (resid  56 and name n )
       (resid   56 and name ca)   (resid  56 and name c )  1.0 -60 30 2
assign (resid   56 and name c )   (resid  57 and name n )
       (resid   57 and name ca)   (resid  57 and name c )  1.0 -60 30 2
assign (resid   57 and name c )   (resid  58 and name n )
       (resid   58 and name ca)   (resid  58 and name c )  1.0 -60 30 2
assign (resid   58 and name c )   (resid  59 and name n )
       (resid   59 and name ca)   (resid  59 and name c )  1.0 -60 30 2
assign (resid   59 and name c )   (resid  60 and name n )
       (resid   60 and name ca)   (resid  60 and name c )  1.0 -60 30 2
assign (resid   60 and name c )   (resid  61 and name n )
       (resid   61 and name ca)   (resid  61 and name c )  1.0 -60 30 2
assign (resid   61 and name c )   (resid  62 and name n )
       (resid   62 and name ca)   (resid  62 and name c )  1.0 -60 30 2
assign (resid   62 and name c )   (resid  63 and name n )
       (resid   63 and name ca)   (resid  63 and name c )  1.0 -60 30 2
assign (resid   63 and name c )   (resid  64 and name n )
       (resid   64 and name ca)   (resid  64 and name c )  1.0 -60 30 2
assign (resid   64 and name c )   (resid  65 and name n )
       (resid   65 and name ca)   (resid  65 and name c )  1.0 -60 30 2
assign (resid   65 and name c )   (resid  66 and name n )
       (resid   66 and name ca)   (resid  66 and name c )  1.0 -60 30 2
assign (resid   66 and name c )   (resid  67 and name n )
       (resid   67 and name ca)   (resid  67 and name c )  1.0 -60 30 2
assign (resid   67 and name c )   (resid  68 and name n )
       (resid   68 and name ca)   (resid  68 and name c )  1.0 -60 30 2
assign (resid   68 and name c )   (resid  69 and name n )
       (resid   69 and name ca)   (resid  69 and name c )  1.0 -60 30 2

! Chi-1 values

assign (resid    9 and name n )   (resid   9 and name  ca)
       (resid    9 and name cb)   (resid   9 and name  sg)  1.0 -60 40 2 
assign (resid   13 and name n )   (resid  13 and name  ca)
       (resid   13 and name cb)   (resid  13 and name  cg)  1.0 -60 40 2
assign (resid   18 and name n )   (resid  18 and name  ca)
       (resid   18 and name cb)   (resid  18 and name  cg2) 1.0 180 40 2 
assign (resid   20 and name n )   (resid  20 and name  ca)
       (resid   20 and name cb)   (resid  20 and name  cg)  1.0 -60 40 2 
assign (resid   21 and name n )   (resid  21 and name  ca)
       (resid   21 and name cb)   (resid  21 and name  cg)  1.0 180 40 2 
assign (resid   22 and name n )   (resid  22 and name  ca)
       (resid   22 and name cb)   (resid  22 and name  cg)  1.0 180 40 2 
assign (resid   23 and name n )   (resid  23 and name  ca)
       (resid   23 and name cb)   (resid  23 and name  cg)  1.0 -60 40 2
assign (resid   26 and name n )   (resid  26 and name  ca)
       (resid   26 and name cb)   (resid  26 and name  cg)  1.0 60 40 2 
assign (resid   28 and name n )   (resid  28 and name  ca)
       (resid   28 and name cb)   (resid  28 and name  cg)  1.0 180 40 2 
assign (resid   31 and name n )   (resid  31 and name  ca)
       (resid   31 and name cb)   (resid  31 and name  og)  1.0 180 40 2 
assign (resid   34 and name n )   (resid  34 and name  ca)
       (resid   34 and name cb)   (resid  34 and name  sg)  1.0 -60 40 2 
assign (resid   39 and name n )   (resid  39 and name  ca)
       (resid   39 and name cb)   (resid  39 and name  cg2) 1.0 -60 40 2 
assign (resid   41 and name n )   (resid  41 and name  ca)
       (resid   41 and name cb)   (resid  41 and name  cg)  1.0 -60 40 2 
assign (resid   45 and name n )   (resid  45 and name  ca)
       (resid   45 and name cb)   (resid  45 and name  cg)  1.0 -60 40 2
assign (resid   48 and name n )   (resid  48 and name  ca)
       (resid   48 and name cb)   (resid  48 and name  cg)  1.0 -60 40 2 
assign (resid   49 and name n )   (resid  49 and name  ca)
       (resid   49 and name cb)   (resid  49 and name  cg1) 1.0 -60 40 2 
assign (resid   50 and name n )   (resid  50 and name  ca)
       (resid   50 and name cb)   (resid  50 and name  sg)  1.0 -60 40 2 
assign (resid   57 and name n )   (resid  57 and name  ca)
       (resid   57 and name cb)   (resid  57 and name  cg)  1.0 60 40 2 
assign (resid   58 and name n )   (resid  58 and name  ca)
       (resid   58 and name cb)   (resid  58 and name  cg2) 1.0 -60 40 2 
assign (resid   60 and name n )   (resid  60 and name  ca)
       (resid   60 and name cb)   (resid  60 and name  cg)  1.0 180 40 2
assign (resid   61 and name n )   (resid  61 and name  ca)
       (resid   61 and name cb)   (resid  61 and name  og)  1.0 -60 40 2
assign (resid   65 and name n )   (resid  65 and name  ca)
       (resid   65 and name cb)   (resid  65 and name  cg)  1.0 -60 40 2
assign (resid   66 and name n )   (resid  66 and name  ca)
       (resid   66 and name cb)   (resid  66 and name  cg)  1.0 -60 40 2 

! Chi-2 values
assign (resid   13 and name ca)   (resid  13 and name  cb)
       (resid   13 and name cg)   (resid  13 and name  cd1) 1.0 180 60 2
assign (resid   20 and name ca)   (resid  20 and name  cb)
       (resid   20 and name cg)   (resid  20 and name  cd1) 1.0 180 60 2
assign (resid   23 and name ca)   (resid  23 and name  cb)
       (resid   23 and name cg)   (resid  23 and name  cd1) 1.0 180 60 2
assign (resid   45 and name ca)   (resid  45 and name  cb)
       (resid   45 and name cg)   (resid  45 and name  cd1) 1.0 180 60 2
assign (resid   65 and name ca)   (resid  65 and name  cb)
       (resid   65 and name cg)   (resid  65 and name  cd1) 1.0 180 60 2


  Entry H atom name         Submitted Coord H atom name
    1   1H    GLY   1           HT3      GLY   1  61.445  17.363  21.711
    2   2H    GLY   1           HT2      GLY   1  62.933  17.057  22.472
    3   3H    GLY   1           HT1      GLY   1  62.851  17.177  20.779
    4   1HA   GLY   1           HA2      GLY   1  63.037  14.870  21.430
    5   2HA   GLY   1           HA1      GLY   1  61.602  15.055  22.439
    6    HA   PRO   2           HA       PRO   2  60.434  14.367  17.870
    7   1HB   PRO   2           HB2      PRO   2  60.684  11.670  17.511
    8   2HB   PRO   2           HB1      PRO   2  61.966  12.834  17.140
    9   1HG   PRO   2           HG2      PRO   2  61.768  10.912  19.378
   10   2HG   PRO   2           HG1      PRO   2  63.202  11.640  18.640
   11   1HD   PRO   2           HD2      PRO   2  61.969  12.412  21.090
   12   2HD   PRO   2           HD1      PRO   2  63.277  13.266  20.238
   13    H    ALA   3           HN       ALA   3  58.376  13.671  17.201
   14    HA   ALA   3           HA       ALA   3  56.487  13.136  19.273
   15   1HB   ALA   3           HB3      ALA   3  55.887  14.416  17.253
   16   2HB   ALA   3           HB2      ALA   3  56.138  12.974  16.269
   17   3HB   ALA   3           HB1      ALA   3  54.837  13.014  17.459
   18    H    SER   4           HN       SER   4  57.302  11.196  20.204
   19    HA   SER   4           HA       SER   4  57.274   8.937  20.580
   20   1HB   SER   4           HB2      SER   4  54.934   8.948  20.046
   21   2HB   SER   4           HB1      SER   4  55.266   9.036  18.320
   22    HG   SER   4           HG       SER   4  54.969   6.923  18.632
   23    H    VAL   5           HN       VAL   5  56.785   8.733  17.065
   24    HA   VAL   5           HA       VAL   5  59.467   7.509  16.865
   25    HB   VAL   5           HB       VAL   5  57.649   5.873  16.532
   26   1HG1  VAL   5          HG11      VAL   5  56.841   7.691  14.242
   27   2HG1  VAL   5          HG13      VAL   5  56.152   6.102  14.578
   28   3HG1  VAL   5          HG12      VAL   5  55.920   7.424  15.722
   29   1HG2  VAL   5          HG21      VAL   5  59.292   6.660  14.118
   30   2HG2  VAL   5          HG23      VAL   5  59.631   5.394  15.298
   31   3HG2  VAL   5          HG22      VAL   5  58.307   5.198  14.150
   32    HA   PRO   6           HA       PRO   6  60.135  10.789  13.917
   33   1HB   PRO   6           HB2      PRO   6  62.560   9.975  12.961
   34   2HB   PRO   6           HB1      PRO   6  62.332  10.729  14.546
   35   1HG   PRO   6           HG2      PRO   6  62.913   7.910  13.878
   36   2HG   PRO   6           HG1      PRO   6  63.234   8.804  15.370
   37   1HD   PRO   6           HD2      PRO   6  61.103   6.968  14.900
   38   2HD   PRO   6           HD1      PRO   6  61.325   8.006  16.327
   39    H    THR   7           HN       THR   7  58.289   9.122  12.861
   40    HA   THR   7           HA       THR   7  58.914   9.151  10.054
   41    HB   THR   7           HB       THR   7  59.972   7.024  10.601
   42    HG1  THR   7           HG1      THR   7  58.616   5.697   9.283
   43   1HG2  THR   7          HG21      THR   7  58.042   6.839  12.575
   44   2HG2  THR   7          HG23      THR   7  57.514   5.638  11.397
   45   3HG2  THR   7          HG22      THR   7  59.132   5.541  12.089
   46    H    THR   8           HN       THR   8  57.105   9.565   8.957
   47    HA   THR   8           HA       THR   8  54.521   8.683  10.052
   48    HB   THR   8           HB       THR   8  55.002  11.503   9.072
   49    HG1  THR   8           HG1      THR   8  55.244  12.068  11.111
   50   1HG2  THR   8          HG23      THR   8  52.683  10.151   9.057
   51   2HG2  THR   8          HG22      THR   8  52.676  10.682  10.739
   52   3HG2  THR   8          HG21      THR   8  52.765  11.871   9.439
   53    H    CYS   9           HN       CYS   9  55.698  10.722   7.386
   54    HA   CYS   9           HA       CYS   9  54.520   8.806   5.473
   55   1HB   CYS   9           HB2      CYS   9  54.243  11.811   5.243
   56   2HB   CYS   9           HB1      CYS   9  53.566  10.598   4.158
   57    H    CYS  10           HN       CYS  10  55.517   8.760   3.430
   58    HA   CYS  10           HA       CYS  10  58.277   9.753   3.457
   59   1HB   CYS  10           HB2      CYS  10  56.818   7.591   2.008
   60   2HB   CYS  10           HB1      CYS  10  58.203   8.328   1.202
   61    H    PHE  11           HN       PHE  11  57.669  11.977   3.106
   62    HA   PHE  11           HA       PHE  11  56.359  12.713   0.631
   63   1HB   PHE  11           HB2      PHE  11  57.671  14.282   2.847
   64   2HB   PHE  11           HB1      PHE  11  57.111  15.055   1.364
   65    HD1  PHE  11           HD2      PHE  11  54.650  13.905   0.639
   66    HD2  PHE  11           HD1      PHE  11  56.172  14.552   4.604
   67    HE1  PHE  11           HE2      PHE  11  52.334  13.929   1.524
   68    HE2  PHE  11           HE1      PHE  11  53.855  14.576   5.489
   69    HZ   PHE  11           HZ       PHE  11  51.936  14.265   3.949
   70    H    ASN  12           HN       ASN  12  59.629  12.509   1.889
   71    HA   ASN  12           HA       ASN  12  60.776  13.727  -0.498
   72   1HB   ASN  12           HB2      ASN  12  61.732  14.020   1.843
   73   2HB   ASN  12           HB1      ASN  12  62.268  12.343   1.735
   74   1HD2  ASN  12          HD22      ASN  12  64.796  14.903   0.321
   75   2HD2  ASN  12          HD21      ASN  12  63.802  15.035   1.691
   76    H    LEU  13           HN       LEU  13  59.741  12.061  -1.882
   77    HA   LEU  13           HA       LEU  13  60.463   9.334  -1.805
   78   1HB   LEU  13           HB2      LEU  13  59.714  11.037  -4.193
   79   2HB   LEU  13           HB1      LEU  13  59.748   9.273  -4.161
   80    HG   LEU  13           HG       LEU  13  58.114  10.844  -2.170
   81   1HD1  LEU  13          HD12      LEU  13  57.405  10.007  -4.987
   82   2HD1  LEU  13          HD11      LEU  13  56.176  10.282  -3.752
   83   3HD1  LEU  13          HD13      LEU  13  57.236  11.600  -4.251
   84   1HD2  LEU  13          HD23      LEU  13  57.936   8.032  -3.302
   85   2HD2  LEU  13          HD22      LEU  13  58.548   8.463  -1.705
   86   3HD2  LEU  13          HD21      LEU  13  56.846   8.714  -2.095
   87    H    ALA  14           HN       ALA  14  62.130   8.198  -2.668
   88    HA   ALA  14           HA       ALA  14  64.583   9.600  -3.173
   89   1HB   ALA  14           HB1      ALA  14  63.767   6.704  -3.213
   90   2HB   ALA  14           HB3      ALA  14  65.352   7.204  -3.803
   91   3HB   ALA  14           HB2      ALA  14  64.894   7.520  -2.130
   92    H    ASN  15           HN       ASN  15  65.590  10.022  -5.068
   93    HA   ASN  15           HA       ASN  15  64.009   9.670  -7.508
   94   1HB   ASN  15           HB2      ASN  15  66.301  11.417  -6.704
   95   2HB   ASN  15           HB1      ASN  15  66.067  11.059  -8.416
   96   1HD2  ASN  15          HD22      ASN  15  63.660  13.611  -8.601
   97   2HD2  ASN  15          HD21      ASN  15  65.034  12.876  -9.275
   98    H    ARG  16           HN       ARG  16  67.192   8.889  -6.188
   99    HA   ARG  16           HA       ARG  16  68.124   7.518  -8.518
  100   1HB   ARG  16           HB2      ARG  16  69.024   7.474  -5.632
  101   2HB   ARG  16           HB1      ARG  16  69.831   6.562  -6.908
  102   1HG   ARG  16           HG2      ARG  16  69.731   8.964  -8.114
  103   2HG   ARG  16           HG1      ARG  16  69.761   9.501  -6.434
  104   1HD   ARG  16           HD2      ARG  16  71.703   7.692  -6.263
  105   2HD   ARG  16           HD1      ARG  16  71.835   8.011  -7.989
  106    HE   ARG  16           HE       ARG  16  72.605   9.783  -5.851
  107   1HH1  ARG  16          HH11      ARG  16  71.484   9.629  -9.164
  108   2HH1  ARG  16          HH12      ARG  16  72.162  11.164  -9.583
  109   1HH2  ARG  16          HH21      ARG  16  73.473  11.779  -6.440
  110   2HH2  ARG  16          HH22      ARG  16  73.278  12.373  -8.056
  111    H    LYS  17           HN       LYS  17  68.619   5.188  -8.567
  112    HA   LYS  17           HA       LYS  17  66.347   3.664  -7.482
  113   1HB   LYS  17           HB2      LYS  17  67.072   1.916  -9.140
  114   2HB   LYS  17           HB1      LYS  17  66.559   3.439  -9.865
  115   1HG   LYS  17           HG2      LYS  17  68.832   4.127 -10.230
  116   2HG   LYS  17           HG1      LYS  17  69.454   2.795  -9.255
  117   1HD   LYS  17           HD2      LYS  17  68.019   1.388 -11.059
  118   2HD   LYS  17           HD1      LYS  17  68.440   2.786 -12.049
  119   1HE   LYS  17           HE2      LYS  17  70.844   2.339 -10.946
  120   2HE   LYS  17           HE1      LYS  17  70.208   0.696 -10.870
  121   1HZ   LYS  17           HZ1      LYS  17  69.949   2.244 -13.357
  122   2HZ   LYS  17           HZ3      LYS  17  71.430   1.505 -12.987
  123   3HZ   LYS  17           HZ2      LYS  17  70.026   0.560 -13.140
  124    H    ILE  18           HN       ILE  18  66.588   2.075  -6.043
  125    HA   ILE  18           HA       ILE  18  69.232   1.674  -4.870
  126    HB   ILE  18           HB       ILE  18  66.550   0.556  -4.010
  127   1HG1  ILE  18          HG12      ILE  18  68.042   2.970  -2.941
  128   2HG1  ILE  18          HG11      ILE  18  66.684   3.073  -4.061
  129   1HG2  ILE  18          HG23      ILE  18  68.541  -0.645  -3.138
  130   2HG2  ILE  18          HG22      ILE  18  69.169   0.881  -2.515
  131   3HG2  ILE  18          HG21      ILE  18  67.677   0.208  -1.859
  132   1HD1  ILE  18          HD13      ILE  18  65.321   1.753  -2.391
  133   2HD1  ILE  18          HD12      ILE  18  66.660   1.930  -1.257
  134   3HD1  ILE  18          HD11      ILE  18  65.800   3.357  -1.836
  135    HA   PRO  19           HA       PRO  19  69.672  -2.186  -7.051
  136   1HB   PRO  19           HB2      PRO  19  71.805  -3.203  -5.676
  137   2HB   PRO  19           HB1      PRO  19  71.930  -1.923  -6.891
  138   1HG   PRO  19           HG2      PRO  19  72.118  -1.742  -3.940
  139   2HG   PRO  19           HG1      PRO  19  72.835  -0.705  -5.181
  140   1HD   PRO  19           HD2      PRO  19  70.537  -0.119  -3.642
  141   2HD   PRO  19           HD1      PRO  19  71.083   0.759  -5.089
  142    H    LEU  20           HN       LEU  20  69.507  -4.487  -6.771
  143    HA   LEU  20           HA       LEU  20  67.751  -5.218  -4.594
  144   1HB   LEU  20           HB2      LEU  20  68.904  -7.018  -6.732
  145   2HB   LEU  20           HB1      LEU  20  67.477  -7.316  -5.741
  146    HG   LEU  20           HG       LEU  20  67.721  -4.952  -7.617
  147   1HD1  LEU  20          HD12      LEU  20  66.539  -7.705  -8.066
  148   2HD1  LEU  20          HD11      LEU  20  66.160  -6.310  -9.077
  149   3HD1  LEU  20          HD13      LEU  20  67.813  -6.921  -9.000
  150   1HD2  LEU  20          HD22      LEU  20  65.997  -5.361  -5.535
  151   2HD2  LEU  20          HD21      LEU  20  65.595  -4.422  -6.972
  152   3HD2  LEU  20          HD23      LEU  20  65.102  -6.111  -6.857
  153    H    GLN  21           HN       GLN  21  71.032  -6.008  -5.631
  154    HA   GLN  21           HA       GLN  21  71.566  -8.058  -3.789
  155   1HB   GLN  21           HB2      GLN  21  72.999  -7.272  -5.778
  156   2HB   GLN  21           HB1      GLN  21  73.645  -6.063  -4.667
  157   1HG   GLN  21           HG2      GLN  21  74.724  -7.633  -3.365
  158   2HG   GLN  21           HG1      GLN  21  73.544  -8.894  -3.722
  159   1HE2  GLN  21          HE21      GLN  21  76.555  -8.966  -3.996
  160   2HE2  GLN  21          HE22      GLN  21  76.838  -9.379  -5.618
  161    H    ARG  22           HN       ARG  22  71.546  -4.583  -3.436
  162    HA   ARG  22           HA       ARG  22  72.729  -4.731  -0.763
  163   1HB   ARG  22           HB2      ARG  22  73.085  -2.875  -2.610
  164   2HB   ARG  22           HB1      ARG  22  71.614  -2.208  -1.903
  165   1HG   ARG  22           HG2      ARG  22  72.628  -1.732   0.106
  166   2HG   ARG  22           HG1      ARG  22  73.737  -3.099  -0.011
  167   1HD   ARG  22           HD2      ARG  22  74.989  -1.023  -0.266
  168   2HD   ARG  22           HD1      ARG  22  74.985  -1.897  -1.794
  169    HE   ARG  22           HE       ARG  22  72.830   0.001  -1.613
  170   1HH1  ARG  22          HH11      ARG  22  76.238  -0.367  -2.323
  171   2HH1  ARG  22          HH12      ARG  22  76.294   1.034  -3.336
  172   1HH2  ARG  22          HH21      ARG  22  72.948   1.819  -2.942
  173   2HH2  ARG  22          HH22      ARG  22  74.448   2.262  -3.685
  174    H    LEU  23           HN       LEU  23  69.630  -4.896  -2.172
  175    HA   LEU  23           HA       LEU  23  68.153  -3.539  -0.125
  176   1HB   LEU  23           HB2      LEU  23  67.543  -5.124  -2.533
  177   2HB   LEU  23           HB1      LEU  23  66.360  -5.299  -1.237
  178    HG   LEU  23           HG       LEU  23  67.350  -2.613  -2.222
  179   1HD1  LEU  23          HD12      LEU  23  65.346  -4.475  -3.338
  180   2HD1  LEU  23          HD11      LEU  23  64.732  -2.845  -3.055
  181   3HD1  LEU  23          HD13      LEU  23  66.138  -3.091  -4.091
  182   1HD2  LEU  23          HD23      LEU  23  65.367  -3.606  -0.224
  183   2HD2  LEU  23          HD22      LEU  23  66.394  -2.174  -0.169
  184   3HD2  LEU  23          HD21      LEU  23  64.928  -2.170  -1.149
  185    H    GLU  24           HN       GLU  24  67.020  -4.363   1.577
  186    HA   GLU  24           HA       GLU  24  67.685  -7.134   2.383
  187   1HB   GLU  24           HB2      GLU  24  68.722  -5.274   3.775
  188   2HB   GLU  24           HB1      GLU  24  67.082  -4.854   4.274
  189   1HG   GLU  24           HG2      GLU  24  66.863  -7.374   4.884
  190   2HG   GLU  24           HG1      GLU  24  68.626  -7.382   4.824
  191    H    SER  25           HN       SER  25  65.286  -4.534   2.488
  192    HA   SER  25           HA       SER  25  63.095  -6.318   2.115
  193   1HB   SER  25           HB2      SER  25  63.847  -6.397   4.692
  194   2HB   SER  25           HB1      SER  25  62.835  -4.957   4.748
  195    HG   SER  25           HG       SER  25  61.178  -6.228   4.639
  196    H    TYR  26           HN       TYR  26  60.971  -4.920   2.873
  197    HA   TYR  26           HA       TYR  26  61.367  -2.087   2.379
  198   1HB   TYR  26           HB2      TYR  26  60.106  -1.920   0.365
  199   2HB   TYR  26           HB1      TYR  26  61.296  -3.182   0.100
  200    HD1  TYR  26           HD2      TYR  26  60.307  -5.610   1.127
  201    HD2  TYR  26           HD1      TYR  26  58.046  -2.388  -0.602
  202    HE1  TYR  26           HE2      TYR  26  58.489  -7.191   0.558
  203    HE2  TYR  26           HE1      TYR  26  56.229  -3.975  -1.171
  204    HH   TYR  26           HH       TYR  26  55.405  -6.206  -0.327
  205    H    ARG  27           HN       ARG  27  59.566  -0.810   2.860
  206    HA   ARG  27           HA       ARG  27  57.344  -2.234   4.204
  207   1HB   ARG  27           HB2      ARG  27  59.016  -1.162   5.792
  208   2HB   ARG  27           HB1      ARG  27  58.493   0.395   5.148
  209   1HG   ARG  27           HG2      ARG  27  57.131   0.054   7.061
  210   2HG   ARG  27           HG1      ARG  27  56.099  -0.377   5.697
  211   1HD   ARG  27           HD2      ARG  27  55.756  -2.238   7.007
  212   2HD   ARG  27           HD1      ARG  27  57.176  -2.780   6.120
  213    HE   ARG  27           HE       ARG  27  58.225  -1.534   8.316
  214   1HH1  ARG  27          HH11      ARG  27  55.847  -4.061   7.854
  215   2HH1  ARG  27          HH12      ARG  27  56.215  -4.838   9.355
  216   1HH2  ARG  27          HH21      ARG  27  58.674  -2.579  10.263
  217   2HH2  ARG  27          HH22      ARG  27  57.802  -4.007  10.708
  218    H    ARG  28           HN       ARG  28  55.646  -1.925   2.908
  219    HA   ARG  28           HA       ARG  28  55.326   0.493   1.348
  220   1HB   ARG  28           HB2      ARG  28  54.600  -1.771   0.540
  221   2HB   ARG  28           HB1      ARG  28  53.329  -1.742   1.762
  222   1HG   ARG  28           HG2      ARG  28  52.165  -0.025   0.707
  223   2HG   ARG  28           HG1      ARG  28  53.605   0.592  -0.102
  224   1HD   ARG  28           HD2      ARG  28  52.498  -0.452  -1.866
  225   2HD   ARG  28           HD1      ARG  28  53.581  -1.729  -1.323
  226    HE   ARG  28           HE       ARG  28  51.724  -2.943  -0.643
  227   1HH1  ARG  28          HH11      ARG  28  50.816   0.401  -1.145
  228   2HH1  ARG  28          HH12      ARG  28  49.127   0.092  -0.938
  229   1HH2  ARG  28          HH21      ARG  28  49.513  -3.302  -0.381
  230   2HH2  ARG  28          HH22      ARG  28  48.394  -1.986  -0.509
  231    H    ILE  29           HN       ILE  29  53.665   2.008   1.562
  232    HA   ILE  29           HA       ILE  29  52.421   2.103   4.245
  233    HB   ILE  29           HB       ILE  29  53.140   4.465   2.498
  234   1HG1  ILE  29          HG12      ILE  29  54.573   3.428   4.964
  235   2HG1  ILE  29          HG11      ILE  29  55.142   3.174   3.313
  236   1HG2  ILE  29          HG22      ILE  29  51.905   4.067   5.194
  237   2HG2  ILE  29          HG21      ILE  29  52.938   5.475   4.943
  238   3HG2  ILE  29          HG23      ILE  29  51.505   5.242   3.942
  239   1HD1  ILE  29          HD13      ILE  29  54.484   5.968   4.144
  240   2HD1  ILE  29          HD12      ILE  29  55.975   5.255   4.760
  241   3HD1  ILE  29          HD11      ILE  29  55.716   5.392   3.021
  242    H    THR  30           HN       THR  30  50.273   2.348   4.363
  243    HA   THR  30           HA       THR  30  48.697   3.486   2.242
  244    HB   THR  30           HB       THR  30  48.202   0.562   2.796
  245    HG1  THR  30           HG1      THR  30  49.658   1.782   0.692
  246   1HG2  THR  30          HG22      THR  30  47.092   2.685   1.017
  247   2HG2  THR  30          HG21      THR  30  47.158   1.039   0.387
  248   3HG2  THR  30          HG23      THR  30  46.260   1.382   1.865
  249    H    SER  31           HN       SER  31  49.142   3.805   5.114
  250    HA   SER  31           HA       SER  31  46.820   2.802   6.476
  251   1HB   SER  31           HB2      SER  31  49.150   3.516   7.457
  252   2HB   SER  31           HB1      SER  31  48.422   5.119   7.491
  253    HG   SER  31           HG       SER  31  48.061   3.922   9.426
  254    H    GLY  32           HN       GLY  32  45.701   4.723   7.869
  255   1HA   GLY  32           HA2      GLY  32  44.511   6.498   5.826
  256   2HA   GLY  32           HA1      GLY  32  43.697   5.948   7.289
  257    H    LYS  33           HN       LYS  33  47.020   7.061   7.219
  258    HA   LYS  33           HA       LYS  33  46.200   9.443   8.773
  259   1HB   LYS  33           HB2      LYS  33  48.665   7.711   9.020
  260   2HB   LYS  33           HB1      LYS  33  48.503   9.287   9.798
  261   1HG   LYS  33           HG2      LYS  33  46.174   8.184  10.584
  262   2HG   LYS  33           HG1      LYS  33  47.141   6.717  10.425
  263   1HD   LYS  33           HD2      LYS  33  48.548   7.290  12.147
  264   2HD   LYS  33           HD1      LYS  33  48.422   9.018  11.814
  265   1HE   LYS  33           HE2      LYS  33  46.389   9.222  12.968
  266   2HE   LYS  33           HE1      LYS  33  46.040   7.497  12.852
  267   1HZ   LYS  33           HZ2      LYS  33  48.068   7.171  14.285
  268   2HZ   LYS  33           HZ1      LYS  33  48.031   8.844  14.580
  269   3HZ   LYS  33           HZ3      LYS  33  46.723   7.872  15.051
  270    H    CYS  34           HN       CYS  34  48.513   8.135   6.443
  271    HA   CYS  34           HA       CYS  34  49.710  10.702   5.893
  272   1HB   CYS  34           HB2      CYS  34  49.920   7.982   4.610
  273   2HB   CYS  34           HB1      CYS  34  50.681   9.403   3.895
  274    HA   PRO  35           HA       PRO  35  46.836  11.981   2.789
  275   1HB   PRO  35           HB2      PRO  35  48.403  13.702   1.360
  276   2HB   PRO  35           HB1      PRO  35  47.767  14.062   2.973
  277   1HG   PRO  35           HG2      PRO  35  50.524  13.376   2.153
  278   2HG   PRO  35           HG1      PRO  35  49.961  14.293   3.557
  279   1HD   PRO  35           HD2      PRO  35  50.817  11.579   3.536
  280   2HD   PRO  35           HD1      PRO  35  50.037  12.439   4.884
  281    H    GLN  36           HN       GLN  36  49.945  10.745   1.721
  282    HA   GLN  36           HA       GLN  36  48.651   9.657  -0.696
  283   1HB   GLN  36           HB2      GLN  36  50.751  10.146  -1.973
  284   2HB   GLN  36           HB1      GLN  36  49.857  11.590  -1.499
  285   1HG   GLN  36           HG2      GLN  36  51.346  11.905   0.428
  286   2HG   GLN  36           HG1      GLN  36  52.224  10.434   0.006
  287   1HE2  GLN  36          HE22      GLN  36  54.077  11.964  -2.599
  288   2HE2  GLN  36          HE21      GLN  36  53.654  10.501  -1.850
  289    H    LYS  37           HN       LYS  37  49.122   7.580  -1.076
  290    HA   LYS  37           HA       LYS  37  50.601   6.073   0.847
  291   1HB   LYS  37           HB2      LYS  37  49.638   5.209  -1.892
  292   2HB   LYS  37           HB1      LYS  37  50.116   4.148  -0.566
  293   1HG   LYS  37           HG2      LYS  37  48.262   4.838   0.779
  294   2HG   LYS  37           HG1      LYS  37  47.890   6.180  -0.304
  295   1HD   LYS  37           HD2      LYS  37  47.836   3.317  -1.260
  296   2HD   LYS  37           HD1      LYS  37  46.426   4.070  -0.515
  297   1HE   LYS  37           HE2      LYS  37  46.389   5.809  -2.207
  298   2HE   LYS  37           HE1      LYS  37  47.903   5.223  -2.897
  299   1HZ   LYS  37           HZ3      LYS  37  45.575   3.431  -2.669
  300   2HZ   LYS  37           HZ2      LYS  37  45.695   4.517  -3.970
  301   3HZ   LYS  37           HZ1      LYS  37  46.894   3.338  -3.731
  302    H    ALA  38           HN       ALA  38  52.523   4.890   0.550
  303    HA   ALA  38           HA       ALA  38  54.135   5.274  -1.822
  304   1HB   ALA  38           HB2      ALA  38  54.465   7.396  -0.478
  305   2HB   ALA  38           HB1      ALA  38  55.192   6.395   0.778
  306   3HB   ALA  38           HB3      ALA  38  55.937   6.487  -0.818
  307    H    VAL  39           HN       VAL  39  56.517   4.482  -1.165
  308    HA   VAL  39           HA       VAL  39  56.212   2.083   0.539
  309    HB   VAL  39           HB       VAL  39  57.678   2.206  -2.113
  310   1HG1  VAL  39          HG12      VAL  39  57.283   0.027  -0.048
  311   2HG1  VAL  39          HG11      VAL  39  57.738  -0.323  -1.716
  312   3HG1  VAL  39          HG13      VAL  39  58.804   0.643  -0.696
  313   1HG2  VAL  39          HG21      VAL  39  54.995   2.075  -1.830
  314   2HG2  VAL  39          HG23      VAL  39  55.862   1.220  -3.106
  315   3HG2  VAL  39          HG22      VAL  39  55.390   0.366  -1.636
  316    H    ILE  40           HN       ILE  40  58.197   1.250   1.387
  317    HA   ILE  40           HA       ILE  40  60.398   3.222   1.499
  318    HB   ILE  40           HB       ILE  40  59.498   1.534   3.845
  319   1HG1  ILE  40          HG12      ILE  40  59.040   4.505   3.483
  320   2HG1  ILE  40          HG11      ILE  40  57.815   3.307   3.064
  321   1HG2  ILE  40          HG22      ILE  40  61.907   2.418   3.606
  322   2HG2  ILE  40          HG21      ILE  40  61.210   4.024   3.822
  323   3HG2  ILE  40          HG23      ILE  40  61.056   2.817   5.099
  324   1HD1  ILE  40          HD13      ILE  40  59.085   3.081   5.754
  325   2HD1  ILE  40          HD12      ILE  40  57.940   4.399   5.507
  326   3HD1  ILE  40          HD11      ILE  40  57.429   2.729   5.260
  327    H    PHE  41           HN       PHE  41  62.414   2.379   1.284
  328    HA   PHE  41           HA       PHE  41  62.581  -0.568   1.034
  329   1HB   PHE  41           HB2      PHE  41  64.013   1.637  -0.443
  330   2HB   PHE  41           HB1      PHE  41  64.608  -0.023  -0.431
  331    HD1  PHE  41           HD1      PHE  41  62.416  -1.755  -0.666
  332    HD2  PHE  41           HD2      PHE  41  62.852   2.151  -2.395
  333    HE1  PHE  41           HE1      PHE  41  60.793  -2.361  -2.438
  334    HE2  PHE  41           HE2      PHE  41  61.225   1.549  -4.166
  335    HZ   PHE  41           HZ       PHE  41  60.192  -0.707  -4.187
  336    H    LYS  42           HN       LYS  42  64.353  -1.636   1.853
  337    HA   LYS  42           HA       LYS  42  66.103  -0.073   3.657
  338   1HB   LYS  42           HB2      LYS  42  65.104  -2.871   4.221
  339   2HB   LYS  42           HB1      LYS  42  66.020  -1.822   5.301
  340   1HG   LYS  42           HG2      LYS  42  64.043  -0.168   5.049
  341   2HG   LYS  42           HG1      LYS  42  63.148  -1.552   4.417
  342   1HD   LYS  42           HD2      LYS  42  64.586  -1.530   7.087
  343   2HD   LYS  42           HD1      LYS  42  62.858  -1.235   6.888
  344   1HE   LYS  42           HE2      LYS  42  62.438  -3.435   6.169
  345   2HE   LYS  42           HE1      LYS  42  64.128  -3.719   5.751
  346   1HZ   LYS  42           HZ2      LYS  42  64.649  -3.525   8.147
  347   2HZ   LYS  42           HZ1      LYS  42  62.984  -3.449   8.475
  348   3HZ   LYS  42           HZ3      LYS  42  63.646  -4.847   7.780
  349    H    THR  43           HN       THR  43  68.213  -0.430   3.409
  350    HA   THR  43           HA       THR  43  69.051  -2.431   1.434
  351    HB   THR  43           HB       THR  43  71.143  -1.229   1.339
  352    HG1  THR  43           HG1      THR  43  71.734  -0.502   3.218
  353   1HG2  THR  43          HG21      THR  43  68.754   0.621   1.513
  354   2HG2  THR  43          HG23      THR  43  70.314   1.092   0.840
  355   3HG2  THR  43          HG22      THR  43  69.371  -0.185   0.071
  356    H    LYS  44           HN       LYS  44  71.646  -2.917   2.231
  357    HA   LYS  44           HA       LYS  44  71.198  -4.624   4.581
  358   1HB   LYS  44           HB2      LYS  44  72.249  -5.319   2.227
  359   2HB   LYS  44           HB1      LYS  44  73.727  -4.764   3.015
  360   1HG   LYS  44           HG2      LYS  44  73.263  -6.259   4.930
  361   2HG   LYS  44           HG1      LYS  44  71.801  -6.828   4.124
  362   1HD   LYS  44           HD2      LYS  44  73.510  -7.294   2.133
  363   2HD   LYS  44           HD1      LYS  44  74.664  -7.376   3.464
  364   1HE   LYS  44           HE2      LYS  44  72.068  -8.866   3.685
  365   2HE   LYS  44           HE1      LYS  44  73.374  -9.549   2.717
  366   1HZ   LYS  44           HZ2      LYS  44  73.664  -8.657   5.534
  367   2HZ   LYS  44           HZ1      LYS  44  73.409 -10.269   5.060
  368   3HZ   LYS  44           HZ3      LYS  44  74.829  -9.465   4.596
  369    H    LEU  45           HN       LEU  45  71.663  -1.716   4.800
  370    HA   LEU  45           HA       LEU  45  74.144  -1.808   6.404
  371   1HB   LEU  45           HB2      LEU  45  73.222   0.146   4.377
  372   2HB   LEU  45           HB1      LEU  45  73.936   0.822   5.837
  373    HG   LEU  45           HG       LEU  45  75.335  -1.464   4.508
  374   1HD1  LEU  45          HD11      LEU  45  74.668   0.292   2.752
  375   2HD1  LEU  45          HD13      LEU  45  75.747   1.392   3.610
  376   3HD1  LEU  45          HD12      LEU  45  76.386  -0.082   2.883
  377   1HD2  LEU  45          HD23      LEU  45  75.977   0.874   6.270
  378   2HD2  LEU  45          HD22      LEU  45  76.467  -0.813   6.428
  379   3HD2  LEU  45          HD21      LEU  45  77.253   0.226   5.239
  380    H    ALA  46           HN       ALA  46  71.137  -2.131   6.991
  381    HA   ALA  46           HA       ALA  46  69.698  -1.577   8.691
  382   1HB   ALA  46           HB3      ALA  46  71.828  -1.868  10.030
  383   2HB   ALA  46           HB2      ALA  46  72.037  -0.120   9.934
  384   3HB   ALA  46           HB1      ALA  46  70.630  -0.796  10.753
  385    H    LYS  47           HN       LYS  47  69.763   0.096   6.412
  386    HA   LYS  47           HA       LYS  47  68.896   2.641   7.637
  387   1HB   LYS  47           HB2      LYS  47  70.487   2.363   5.076
  388   2HB   LYS  47           HB1      LYS  47  69.810   3.866   5.703
  389   1HG   LYS  47           HG2      LYS  47  71.135   3.290   7.870
  390   2HG   LYS  47           HG1      LYS  47  72.048   2.196   6.830
  391   1HD   LYS  47           HD2      LYS  47  73.034   3.907   5.661
  392   2HD   LYS  47           HD1      LYS  47  71.623   4.957   5.806
  393   1HE   LYS  47           HE2      LYS  47  72.164   5.323   8.201
  394   2HE   LYS  47           HE1      LYS  47  73.605   4.324   8.013
  395   1HZ   LYS  47           HZ3      LYS  47  73.169   6.601   6.205
  396   2HZ   LYS  47           HZ2      LYS  47  73.773   6.880   7.769
  397   3HZ   LYS  47           HZ1      LYS  47  74.625   5.880   6.692
  398    H    ASP  48           HN       ASP  48  67.065   3.534   6.789
  399    HA   ASP  48           HA       ASP  48  65.683   1.935   4.716
  400   1HB   ASP  48           HB2      ASP  48  64.399   3.775   6.747
  401   2HB   ASP  48           HB1      ASP  48  63.590   2.636   5.673
  402    H    ILE  49           HN       ILE  49  64.360   3.082   3.192
  403    HA   ILE  49           HA       ILE  49  64.909   5.954   2.902
  404    HB   ILE  49           HB       ILE  49  65.306   3.992   0.631
  405   1HG1  ILE  49          HG12      ILE  49  67.380   5.547   2.211
  406   2HG1  ILE  49          HG11      ILE  49  67.071   3.821   2.398
  407   1HG2  ILE  49          HG21      ILE  49  65.636   6.985   0.939
  408   2HG2  ILE  49          HG23      ILE  49  66.374   6.081  -0.383
  409   3HG2  ILE  49          HG22      ILE  49  64.619   6.121  -0.215
  410   1HD1  ILE  49          HD11      ILE  49  67.528   3.576  -0.084
  411   2HD1  ILE  49          HD13      ILE  49  68.088   5.248  -0.069
  412   3HD1  ILE  49          HD12      ILE  49  68.928   4.028   0.889
  413    H    CYS  50           HN       CYS  50  63.482   6.999   1.364
  414    HA   CYS  50           HA       CYS  50  60.836   5.728   1.356
  415   1HB   CYS  50           HB2      CYS  50  61.745   8.566   0.861
  416   2HB   CYS  50           HB1      CYS  50  60.085   8.031   0.605
  417    H    ALA  51           HN       ALA  51  59.623   5.437  -0.500
  418    HA   ALA  51           HA       ALA  51  60.817   6.079  -3.095
  419   1HB   ALA  51           HB1      ALA  51  60.245   3.259  -2.169
  420   2HB   ALA  51           HB3      ALA  51  60.437   3.701  -3.865
  421   3HB   ALA  51           HB2      ALA  51  61.780   3.913  -2.742
  422    H    ASP  52           HN       ASP  52  59.344   6.184  -4.766
  423    HA   ASP  52           HA       ASP  52  56.545   6.345  -3.939
  424   1HB   ASP  52           HB2      ASP  52  58.049   7.921  -5.595
  425   2HB   ASP  52           HB1      ASP  52  57.230   6.886  -6.763
  426    HA   PRO  53           HA       PRO  53  55.621   2.443  -5.822
  427   1HB   PRO  53           HB2      PRO  53  52.909   2.683  -6.054
  428   2HB   PRO  53           HB1      PRO  53  53.748   2.386  -4.524
  429   1HG   PRO  53           HG2      PRO  53  52.466   4.864  -5.515
  430   2HG   PRO  53           HG1      PRO  53  52.749   4.327  -3.853
  431   1HD   PRO  53           HD2      PRO  53  54.269   6.247  -5.285
  432   2HD   PRO  53           HD1      PRO  53  54.696   5.511  -3.723
  433    H    LYS  54           HN       LYS  54  55.454   5.299  -7.548
  434    HA   LYS  54           HA       LYS  54  54.435   3.958  -9.976
  435   1HB   LYS  54           HB2      LYS  54  53.511   6.264  -8.999
  436   2HB   LYS  54           HB1      LYS  54  54.873   6.902  -9.920
  437   1HG   LYS  54           HG2      LYS  54  54.053   5.641 -11.918
  438   2HG   LYS  54           HG1      LYS  54  52.637   5.155 -10.986
  439   1HD   LYS  54           HD2      LYS  54  52.424   7.752 -10.542
  440   2HD   LYS  54           HD1      LYS  54  53.386   7.869 -12.016
  441   1HE   LYS  54           HE2      LYS  54  51.712   7.015 -13.344
  442   2HE   LYS  54           HE1      LYS  54  51.063   6.002 -12.055
  443   1HZ   LYS  54           HZ2      LYS  54  50.441   8.237 -10.984
  444   2HZ   LYS  54           HZ1      LYS  54  50.632   8.874 -12.547
  445   3HZ   LYS  54           HZ3      LYS  54  49.487   7.656 -12.264
  446    H    LYS  55           HN       LYS  55  57.214   3.876  -8.723
  447    HA   LYS  55           HA       LYS  55  58.764   5.159 -10.872
  448   1HB   LYS  55           HB2      LYS  55  59.336   4.335  -8.084
  449   2HB   LYS  55           HB1      LYS  55  60.650   4.106  -9.239
  450   1HG   LYS  55           HG2      LYS  55  59.121   6.703  -8.909
  451   2HG   LYS  55           HG1      LYS  55  60.666   6.362  -8.128
  452   1HD   LYS  55           HD2      LYS  55  61.474   5.779 -10.546
  453   2HD   LYS  55           HD1      LYS  55  60.071   6.720 -11.055
  454   1HE   LYS  55           HE2      LYS  55  60.962   8.516  -9.392
  455   2HE   LYS  55           HE1      LYS  55  62.483   7.630  -9.500
  456   1HZ   LYS  55           HZ3      LYS  55  62.159   7.810 -12.000
  457   2HZ   LYS  55           HZ2      LYS  55  60.994   8.997 -11.656
  458   3HZ   LYS  55           HZ1      LYS  55  62.608   9.222 -11.176
  459    H    LYS  56           HN       LYS  56  60.546   3.908 -11.822
  460    HA   LYS  56           HA       LYS  56  59.611   1.338 -12.704
  461   1HB   LYS  56           HB2      LYS  56  62.126   2.900 -13.303
  462   2HB   LYS  56           HB1      LYS  56  61.752   1.336 -14.028
  463   1HG   LYS  56           HG2      LYS  56  59.670   3.482 -14.142
  464   2HG   LYS  56           HG1      LYS  56  61.048   3.595 -15.237
  465   1HD   LYS  56           HD2      LYS  56  59.579   0.988 -14.975
  466   2HD   LYS  56           HD1      LYS  56  58.907   2.267 -15.987
  467   1HE   LYS  56           HE2      LYS  56  61.442   2.344 -16.869
  468   2HE   LYS  56           HE1      LYS  56  61.385   0.654 -16.366
  469   1HZ   LYS  56           HZ3      LYS  56  59.347   0.409 -17.695
  470   2HZ   LYS  56           HZ2      LYS  56  59.526   2.006 -18.245
  471   3HZ   LYS  56           HZ1      LYS  56  60.690   0.833 -18.639
  472    H    TRP  57           HN       TRP  57  62.403   2.508 -10.861
  473    HA   TRP  57           HA       TRP  57  63.402  -0.126 -10.367
  474   1HB   TRP  57           HB2      TRP  57  64.969   0.959  -8.804
  475   2HB   TRP  57           HB1      TRP  57  64.949   1.760 -10.372
  476    HD1  TRP  57           HD1      TRP  57  63.781   4.155 -10.524
  477    HE1  TRP  57           HE1      TRP  57  63.279   5.925  -8.719
  478    HE3  TRP  57           HE3      TRP  57  64.311   1.304  -6.320
  479    HZ2  TRP  57           HZ2      TRP  57  63.127   6.110  -5.870
  480    HZ3  TRP  57           HZ3      TRP  57  63.986   2.302  -4.076
  481    HH2  TRP  57           HH2      TRP  57  63.395   4.699  -3.845
  482    H    VAL  58           HN       VAL  58  61.152   2.010  -8.780
  483    HA   VAL  58           HA       VAL  58  61.175   0.596  -6.266
  484    HB   VAL  58           HB       VAL  58  59.077   2.472  -7.395
  485   1HG1  VAL  58          HG12      VAL  58  59.422   1.013  -4.827
  486   2HG1  VAL  58          HG11      VAL  58  58.925   2.700  -4.700
  487   3HG1  VAL  58          HG13      VAL  58  57.945   1.559  -5.621
  488   1HG2  VAL  58          HG21      VAL  58  61.454   2.966  -5.573
  489   2HG2  VAL  58          HG23      VAL  58  61.252   3.579  -7.214
  490   3HG2  VAL  58          HG22      VAL  58  60.195   4.150  -5.923
  491    H    GLN  59           HN       GLN  59  59.249   0.592  -9.219
  492    HA   GLN  59           HA       GLN  59  57.249  -1.206  -8.328
  493   1HB   GLN  59           HB2      GLN  59  58.191  -0.215 -10.974
  494   2HB   GLN  59           HB1      GLN  59  57.252  -1.708 -10.960
  495   1HG   GLN  59           HG2      GLN  59  55.655  -0.346  -9.369
  496   2HG   GLN  59           HG1      GLN  59  56.430   1.053 -10.114
  497   1HE2  GLN  59          HE21      GLN  59  53.832  -1.044 -10.480
  498   2HE2  GLN  59          HE22      GLN  59  53.563  -0.838 -12.143
  499    H    ASP  60           HN       ASP  60  60.266  -1.673 -10.115
  500    HA   ASP  60           HA       ASP  60  60.058  -4.507 -10.267
  501   1HB   ASP  60           HB2      ASP  60  61.704  -2.690 -11.438
  502   2HB   ASP  60           HB1      ASP  60  62.772  -3.317 -10.184
  503    H    SER  61           HN       SER  61  61.403  -2.235  -7.962
  504    HA   SER  61           HA       SER  61  62.798  -4.088  -6.342
  505   1HB   SER  61           HB2      SER  61  61.739  -1.318  -5.938
  506   2HB   SER  61           HB1      SER  61  62.291  -2.238  -4.541
  507    HG   SER  61           HG       SER  61  63.897  -0.913  -5.717
  508    H    MET  62           HN       MET  62  59.564  -2.634  -6.036
  509    HA   MET  62           HA       MET  62  58.791  -4.090  -3.741
  510   1HB   MET  62           HB2      MET  62  57.615  -2.054  -4.630
  511   2HB   MET  62           HB1      MET  62  56.962  -3.062  -5.922
  512   1HG   MET  62           HG2      MET  62  55.556  -4.216  -4.505
  513   2HG   MET  62           HG1      MET  62  56.636  -4.041  -3.122
  514   1HE   MET  62           HE3      MET  62  54.161  -2.881  -5.397
  515   2HE   MET  62           HE2      MET  62  53.046  -2.843  -4.032
  516   3HE   MET  62           HE1      MET  62  53.488  -1.342  -4.842
  517    H    LYS  63           HN       LYS  63  58.306  -4.691  -7.202
  518    HA   LYS  63           HA       LYS  63  56.825  -7.089  -6.902
  519   1HB   LYS  63           HB2      LYS  63  57.104  -5.671  -9.025
  520   2HB   LYS  63           HB1      LYS  63  58.652  -6.493  -9.228
  521   1HG   LYS  63           HG2      LYS  63  57.658  -8.571  -9.578
  522   2HG   LYS  63           HG1      LYS  63  56.184  -8.124  -8.719
  523   1HD   LYS  63           HD2      LYS  63  55.959  -6.353 -10.670
  524   2HD   LYS  63           HD1      LYS  63  57.008  -7.481 -11.529
  525   1HE   LYS  63           HE2      LYS  63  55.350  -9.309 -10.754
  526   2HE   LYS  63           HE1      LYS  63  54.254  -7.972 -10.400
  527   1HZ   LYS  63           HZ1      LYS  63  55.571  -8.374 -13.027
  528   2HZ   LYS  63           HZ3      LYS  63  54.010  -8.930 -12.663
  529   3HZ   LYS  63           HZ2      LYS  63  54.341  -7.263 -12.651
  530    H    TYR  64           HN       TYR  64  60.241  -6.336  -7.046
  531    HA   TYR  64           HA       TYR  64  61.257  -8.951  -7.323
  532   1HB   TYR  64           HB2      TYR  64  62.676  -7.007  -7.689
  533   2HB   TYR  64           HB1      TYR  64  62.447  -6.485  -6.024
  534    HD1  TYR  64           HD1      TYR  64  63.476  -9.629  -7.828
  535    HD2  TYR  64           HD2      TYR  64  64.202  -6.912  -4.583
  536    HE1  TYR  64           HE1      TYR  64  65.425 -10.992  -7.121
  537    HE2  TYR  64           HE2      TYR  64  66.149  -8.269  -3.875
  538    HH   TYR  64           HH       TYR  64  67.750  -9.891  -4.961
  539    H    LEU  65           HN       LEU  65  60.816  -6.939  -4.421
  540    HA   LEU  65           HA       LEU  65  61.510  -8.990  -2.588
  541   1HB   LEU  65           HB2      LEU  65  60.011  -6.391  -2.307
  542   2HB   LEU  65           HB1      LEU  65  60.247  -7.484  -0.940
  543    HG   LEU  65           HG       LEU  65  62.504  -6.453  -2.676
  544   1HD1  LEU  65          HD13      LEU  65  61.112  -4.793  -1.154
  545   2HD1  LEU  65          HD12      LEU  65  62.038  -5.551   0.142
  546   3HD1  LEU  65          HD11      LEU  65  62.873  -4.725  -1.174
  547   1HD2  LEU  65          HD21      LEU  65  62.248  -8.206  -0.262
  548   2HD2  LEU  65          HD23      LEU  65  63.322  -8.365  -1.651
  549   3HD2  LEU  65          HD22      LEU  65  63.670  -7.172  -0.400
  550    H    ASP  66           HN       ASP  66  58.464  -7.821  -3.894
  551    HA   ASP  66           HA       ASP  66  56.739  -9.434  -2.340
  552   1HB   ASP  66           HB2      ASP  66  56.480  -7.989  -4.953
  553   2HB   ASP  66           HB1      ASP  66  55.222  -9.127  -4.465
  554    H    GLN  67           HN       GLN  67  58.537  -9.998  -5.302
  555    HA   GLN  67           HA       GLN  67  57.250 -12.487  -5.923
  556   1HB   GLN  67           HB2      GLN  67  58.397 -11.033  -7.622
  557   2HB   GLN  67           HB1      GLN  67  59.936 -11.500  -6.898
  558   1HG   GLN  67           HG2      GLN  67  59.681 -13.762  -7.524
  559   2HG   GLN  67           HG1      GLN  67  57.949 -13.582  -7.799
  560   1HE2  GLN  67          HE22      GLN  67  60.143 -13.351 -10.996
  561   2HE2  GLN  67          HE21      GLN  67  60.385 -14.329  -9.630
  562    H    LYS  68           HN       LYS  68  60.022 -11.473  -4.052
  563    HA   LYS  68           HA       LYS  68  61.433 -13.882  -3.856
  564   1HB   LYS  68           HB2      LYS  68  62.139 -11.601  -2.984
  565   2HB   LYS  68           HB1      LYS  68  61.110 -11.917  -1.587
  566   1HG   LYS  68           HG2      LYS  68  62.372 -14.055  -1.216
  567   2HG   LYS  68           HG1      LYS  68  63.472 -13.577  -2.511
  568   1HD   LYS  68           HD2      LYS  68  63.937 -11.457  -1.243
  569   2HD   LYS  68           HD1      LYS  68  62.977 -12.101   0.089
  570   1HE   LYS  68           HE2      LYS  68  65.233 -13.722  -1.066
  571   2HE   LYS  68           HE1      LYS  68  65.564 -12.460   0.121
  572   1HZ   LYS  68           HZ2      LYS  68  63.706 -13.585   1.453
  573   2HZ   LYS  68           HZ1      LYS  68  63.968 -14.919   0.434
  574   3HZ   LYS  68           HZ3      LYS  68  65.229 -14.337   1.407
  575    H    SER  69           HN       SER  69  58.415 -12.918  -2.410
  576    HA   SER  69           HA       SER  69  58.309 -14.607  -0.183
  577   1HB   SER  69           HB2      SER  69  56.533 -12.893  -1.500
  578   2HB   SER  69           HB1      SER  69  55.744 -14.466  -1.547
  579    HG   SER  69           HG       SER  69  56.617 -12.953   0.668
  580    HA   PRO  70           HA       PRO  70  57.670 -18.645  -1.854
  581   1HB   PRO  70           HB2      PRO  70  55.695 -19.710  -0.297
  582   2HB   PRO  70           HB1      PRO  70  57.342 -19.406   0.276
  583   1HG   PRO  70           HG2      PRO  70  54.845 -17.946   0.887
  584   2HG   PRO  70           HG1      PRO  70  56.337 -18.072   1.829
  585   1HD   PRO  70           HD2      PRO  70  55.525 -15.874   0.209
  586   2HD   PRO  70           HD1      PRO  70  57.109 -16.097   0.989
  587    H    THR  71           HN       THR  71  56.311 -20.127  -3.049
  588    HA   THR  71           HA       THR  71  54.436 -18.820  -4.756
  589    HB   THR  71           HB       THR  71  54.087 -21.627  -5.017
  590    HG1  THR  71           HG1      THR  71  56.016 -22.462  -4.747
  591   1HG2  THR  71          HG23      THR  71  55.830 -19.656  -6.522
  592   2HG2  THR  71          HG22      THR  71  55.394 -21.262  -7.105
  593   3HG2  THR  71          HG21      THR  71  54.144 -20.041  -6.868
  594    HA   PRO  72           HA       PRO  72  51.078 -21.287  -2.449
  595   1HB   PRO  72           HB2      PRO  72  51.757 -22.740  -0.236
  596   2HB   PRO  72           HB1      PRO  72  51.793 -23.385  -1.884
  597   1HG   PRO  72           HG2      PRO  72  54.042 -22.593  -0.126
  598   2HG   PRO  72           HG1      PRO  72  53.999 -23.779  -1.439
  599   1HD   PRO  72           HD2      PRO  72  55.064 -21.159  -1.585
  600   2HD   PRO  72           HD1      PRO  72  54.746 -22.247  -2.956
  601    H    LYS  73           HN       LYS  73  49.873 -21.158  -0.305
  602    HA   LYS  73           HA       LYS  73  48.977 -19.812   1.297
  603   1HB   LYS  73           HB2      LYS  73  50.321 -19.424   3.237
  604   2HB   LYS  73           HB1      LYS  73  50.815 -20.964   2.555
  605   1HG   LYS  73           HG2      LYS  73  52.843 -20.086   1.731
  606   2HG   LYS  73           HG1      LYS  73  52.281 -18.419   1.855
  607   1HD   LYS  73           HD2      LYS  73  52.059 -19.033   4.424
  608   2HD   LYS  73           HD1      LYS  73  53.265 -20.252   4.007
  609   1HE   LYS  73           HE2      LYS  73  54.891 -18.687   3.546
  610   2HE   LYS  73           HE1      LYS  73  53.724 -17.479   3.009
  611   1HZ   LYS  73           HZ3      LYS  73  53.036 -17.206   5.330
  612   2HZ   LYS  73           HZ2      LYS  73  54.238 -18.305   5.814
  613   3HZ   LYS  73           HZ1      LYS  73  54.673 -16.825   5.104
  614    HA   PRO  74           HA       PRO  74  49.420 -15.568   0.223
  615   1HB   PRO  74           HB2      PRO  74  48.303 -14.335   2.390
  616   2HB   PRO  74           HB1      PRO  74  47.376 -15.261   1.200
  617   1HG   PRO  74           HG2      PRO  74  48.042 -15.945   3.984
  618   2HG   PRO  74           HG1      PRO  74  46.761 -16.584   2.945
  619   1HD   PRO  74           HD2      PRO  74  49.288 -17.807   3.576
  620   2HD   PRO  74           HD1      PRO  74  48.015 -18.436   2.503
   
  No H/Q in entry =         620