*HEADER    VIRAL PROTEIN, IMMUNE SYSTEM            29-APR-10   2KXA              
*TITLE     THE HEMAGGLUTININ FUSION PEPTIDE (H1 SUBTYPE) AT PH 7.4               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HAEMAGGLUTININ HA2 CHAIN PEPTIDE;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1 TO 23 OF HA2 SUBUNIT (UNP RESIDUES 345-367);    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS;                              
*SOURCE   3 ORGANISM_TAXID: 83206;                                               
*SOURCE   4 STRAIN: A/SWINE/SCOTLAND/410440/94(H1N2);                            
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    FUSION PEPTIDE, INFLUENZA, VIRAL PROTEIN, IMMUNE SYSTEM               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    J.L.LORIEAU, J.M.LOUIS, A.BAX                                         
*REVDAT   3   28-JUL-10 2KXA    1                                               
*REVDAT   2   07-JUL-10 2KXA    1                                               
*REVDAT   1   23-JUN-10 2KXA    0                                                


assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name    N)
       ( resid     3 and name   HN) 10.5 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name    N)
       ( resid     4 and name   HN) 6.8 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name    N)
       ( resid     5 and name   HN) -3.2 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name    N)
       ( resid     6 and name   HN) 3.5 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name    N)
       ( resid     7 and name   HN) 7.8 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name    N)
       ( resid     8 and name   HN) -0.4 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name    N)
       ( resid     9 and name   HN) -5.7 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    10 and name    N)
       ( resid    10 and name   HN) 4.0 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name    N)
       ( resid    11 and name   HN) 4.5 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name    N)
       ( resid    12 and name   HN) -4.4 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name    N)
       ( resid    13 and name   HN) -6.2 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name    N)
       ( resid    14 and name   HN) 9.9 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name    N)
       ( resid    15 and name   HN) 5.7 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name    N)
       ( resid    16 and name   HN) 13.7 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name    N)
       ( resid    17 and name   HN) 10.8 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name    N)
       ( resid    18 and name   HN) 5.1 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name    N)
       ( resid    19 and name   HN) 7.9 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name    N)
       ( resid    20 and name   HN) 14.1 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name    N)
       ( resid    21 and name   HN) 6.0 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name    N)
       ( resid    22 and name   HN) 3.8 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name    N)
       ( resid    23 and name   HN) 14.1 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   NE1)
       ( resid    14 and name   HE1) 5.7 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name   NE1)
       ( resid    21 and name   HE1) -2.2 0.0


assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   HA1) -4 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name   CA)
       ( resid     1 and name   HA2) -20 0.0


assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name   HA) -1.8 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name   HA) 29.8 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     4 and name   CA)
       ( resid     4 and name   HA#) 5.0 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name   HA) -17.1 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name   HA) 13.3 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name   HA) 13.2 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     8 and name   CA)
       ( resid     8 and name   HA#) -11.3 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name   HA) -16.8 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name   HA) 30.6 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name   HA) 0.6 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name   HA1) 30.0 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name   HA2) -12.0 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name   HA1) 0 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name   HA2) -1 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name   HA) -16.3 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name   HA) -6.6 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name   HA#) 15.1 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name   HA) -9.8 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CA)
       ( resid    18 and name   HA) -17.9 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name   HA) 9.4 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    20 and name   CA)
       ( resid    20 and name   HA#) 23.7 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name   HA) -13.9 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name   HA) -11.6 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    23 and name   CA)
       ( resid    23 and name   HA#) 1.7 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name   CB) -1.8 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     6 and name   CG1)
       ( resid     6 and name   CD1) -0.7 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name   CB) 1.9 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    10 and name   CG1)
       ( resid    10 and name   CD1) -0.2 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CG1)
       ( resid    18 and name   CD1) -0.7 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    18 and name   CB)
       ( resid    18 and name   CG2) 1.2 0.0
assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid     1 and name  HA1)
       ( resid     1 and name  HA2) -10 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    12 and name  HA1)
       ( resid    12 and name  HA2) 15 0.0

assign ( resid   500 and name   OO)
       ( resid   500 and name    Z)
       ( resid   500 and name    X)
       ( resid   500 and name    Y)
       ( resid    13 and name  HA1)
       ( resid    13 and name  HA2) -11 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name    N)
       ( resid     3 and name   HN) -11.0 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name    N)
       ( resid     4 and name   HN) -5.4 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name    N)
       ( resid     5 and name   HN) 5.6 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name    N)
       ( resid     6 and name   HN) -1.4 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name    N)
       ( resid     7 and name   HN) -7.4 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name    N)
       ( resid     8 and name   HN) 3.6 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    10 and name    N)
       ( resid    10 and name   HN) -2.1 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name    N)
       ( resid    11 and name   HN) -2.2 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name    N)
       ( resid    12 and name   HN) 7.1 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name    N)
       ( resid    13 and name   HN) 7.6 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name    N)
       ( resid    14 and name   HN) -10.9 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name    N)
       ( resid    15 and name   HN) -3.8 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name    N)
       ( resid    16 and name   HN) -17.6 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name    N)
       ( resid    17 and name   HN) -11.9 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name    N)
       ( resid    18 and name   HN) -3.5 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name    N)
       ( resid    19 and name   HN) -8.1 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name    N)
       ( resid    20 and name   HN) -17.9 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name    N)
       ( resid    21 and name   HN) -4.4 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name    N)
       ( resid    22 and name   HN) -2.3 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name    N)
       ( resid    23 and name   HN) -17.9 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name   NE1)
       ( resid    14 and name   HE1) -8.1 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name   NE1)
       ( resid    21 and name   HE1) 3.9 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name    N)
       ( resid     2 and name    C) 0.37 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name    N)
       ( resid     3 and name    C) -1.64 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name    N)
       ( resid     4 and name    C) 0.74 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name    N)
       ( resid     5 and name    C) 1.11 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name    N)
       ( resid     6 and name    C) -1.14 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name    N)
       ( resid     7 and name    C) 0.24 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name    N)
       ( resid     8 and name    C) 0.13 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    10 and name    N)
       ( resid     9 and name    C) 1.08 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name    N)
       ( resid    10 and name    C) -2.35 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name    N)
       ( resid    11 and name    C) 1.14 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name    N)
       ( resid    12 and name    C) -0.88 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name    N)
       ( resid    13 and name    C) 0.57 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name    N)
       ( resid    14 and name    C) 0.72 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name    N)
       ( resid    15 and name    C) 0.55 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name    N)
       ( resid    16 and name    C) -0.79 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name    N)
       ( resid    17 and name    C) 1.06 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name    N)
       ( resid    18 and name    C) 1.26 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name    N)
       ( resid    19 and name    C) -0.88 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name    N)
       ( resid    20 and name    C) 0.48 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name    N)
       ( resid    21 and name    C) 0.55 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name    N)
       ( resid    22 and name    C) 1.03 0.0


assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     2 and name   CA)
       ( resid     2 and name    C) 2.11 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name   CA)
       ( resid     3 and name    C) 1.97 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name   CA)
       ( resid     4 and name    C) -1.15 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name   CA)
       ( resid     5 and name    C) -2.60 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   CA)
       ( resid     6 and name    C) 2.35 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name   CA)
       ( resid     7 and name    C) 0.83 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name   CA)
       ( resid     9 and name    C) 1.05 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    10 and name   CA)
       ( resid    10 and name    C) 1.66 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   CA)
       ( resid    11 and name    C) 1.84 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name   CA)
       ( resid    12 and name    C) 0.63 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name   CA)
       ( resid    13 and name    C) 0.95 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name   CA)
       ( resid    14 and name    C) -3.44 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   CA)
       ( resid    15 and name    C) -0.67 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   CA)
       ( resid    16 and name    C) 2.55 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name   CA)
       ( resid    17 and name    C) -1.31 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name   CA)
       ( resid    18 and name    C) -3.00 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name   CA)
       ( resid    19 and name    C) 1.65 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name   CA)
       ( resid    20 and name    C) 2.36 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name   CA)
       ( resid    21 and name    C) -3.51 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name   CA)
       ( resid    22 and name    C) -0.70 0.0


assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     3 and name   HN)
       ( resid     2 and name    C) -1.6 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     4 and name   HN)
       ( resid     3 and name    C) -4.3 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     5 and name   HN)
       ( resid     4 and name    C) 3.9 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     6 and name   HN)
       ( resid     5 and name    C) 2.4 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     7 and name   HN)
       ( resid     6 and name    C) -4.1 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     8 and name   HN)
       ( resid     7 and name    C) 0.9 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid     9 and name   HN)
       ( resid     8 and name    C) 0.6 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    10 and name   HN)
       ( resid     9 and name    C) 0.4 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    11 and name   HN)
       ( resid    10 and name    C) -4.6 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    12 and name   HN)
       ( resid    11 and name    C) 3.5 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    13 and name   HN)
       ( resid    12 and name    C) -1.0 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    14 and name   HN)
       ( resid    13 and name    C) -1.4 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    15 and name   HN)
       ( resid    14 and name    C) 1.9 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    16 and name   HN)
       ( resid    15 and name    C) -0.8 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    17 and name   HN)
       ( resid    16 and name    C) -3.7 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    18 and name   HN)
       ( resid    17 and name    C) 0.7 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    19 and name   HN)
       ( resid    18 and name    C) 2.1 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    20 and name   HN)
       ( resid    19 and name    C) -4.5 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    21 and name   HN)
       ( resid    20 and name    C) 0.3 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    22 and name   HN)
       ( resid    21 and name    C) 1.8 0.0

assign ( resid   501 and name   OO)
       ( resid   501 and name    Z)
       ( resid   501 and name    X)
       ( resid   501 and name    Y)
       ( resid    23 and name   HN)
       ( resid    22 and name    C) -0.4 0.0


# CaHa---O hydrogen bond

assign (residue 9 and name HA) (residue 13 and name O)   2.7 2.7 0.0

assign (residue 17 and name HA) (residue 5 and name O)   2.7 2.7 0.0

assign (residue  5 and name HA) (residue 17 and name O)  2.7 2.7 0.0

assign (residue 21 and name HA) (residue 1 and name O)   2.7 2.7 0.0

assign (resid    9 and name N    ) (resid    9 and name CA    )
       (resid    9 and name CB   ) (resid    9 and name CG    )    1.0  180   30.0 2
assign (resid   14 and name N    ) (resid   14 and name CA    )
       (resid   14 and name CB   ) (resid   14 and name CG    )    1.0  180   30.0 2
assign (resid   21 and name N    ) (resid   21 and name CA    )
       (resid   21 and name CB   ) (resid   21 and name CG    )    1.0  180   30.0 2
assign (resid   22 and name C    ) (resid   22 and name CA    )
       (resid   22 and name CB   ) (resid   22 and name CG    )    1.0  180   30.0 2
assign (resid    1 and name C    ) (resid    2 and name N    )
       (resid    2 and name CA   ) (resid    2 and name C    )    1.0  -52.6   20.0 2
assign (resid    2 and name N    ) (resid    2 and name CA   )
       (resid    2 and name C    ) (resid    3 and name N    )    1.0  -49.5   20.0 2
assign (resid    2 and name C    ) (resid    3 and name N    )
       (resid    3 and name CA   ) (resid    3 and name C    )    1.0  -60.0   20.0 2
assign (resid    3 and name N    ) (resid    3 and name CA   )
       (resid    3 and name C    ) (resid    4 and name N    )    1.0  -41.1   20.0 2
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -68.1   20.0 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -38.6   20.0 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -71.0   32.6 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -38.3   20.5 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -62.1   20.0 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -43.3   20.0 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -63.3   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -41.1   20.2 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -65.2   20.0 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  -42.3   20.0 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -69.8   33.3 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -40.0   21.5 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -69.1   26.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -44.9   20.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -72.4   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -39.1   20.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -56.5   20.0 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -40.4   23.1 2
assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -62.5   20.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -36.6   20.7 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -61.8   20.0 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -41.7   20.0 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -61.2   20.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -45.5   20.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -62.8   20.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -40.9   20.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -67.4   20.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -36.8   20.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -65.2   20.0 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0  -40.7   20.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0  -67.0   20.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0  -30.0   36.8 2
! Hydrogen bonds from those reported in most structures by HBDB
! in free mode, as well as those that improved Qfree

assi (acc and resi   1 and name O) (don and resi   5 and name HN)
assi (acc and resi   2 and name O) (don and resi   6 and name HN)
assi (acc and resi   3 and name O) (don and resi   7 and name HN)
assi (acc and resi   4 and name O) (don and resi   8 and name HN)
assi (acc and resi   5 and name O) (don and resi   9 and name HN)
assi (acc and resi   6 and name O) (don and resi   10 and name HN)
assi (acc and resi   7 and name O) (don and resi   11 and name HN)
assi (acc and resi   8 and name O) (don and resi   12 and name HN)
assi (acc and resi   9 and name O) (don and resi   13 and name HN)
assi (acc and resi   13 and name O) (don and resi   17 and name HN)
assi (acc and resi   14 and name O) (don and resi   18 and name HN)
assi (acc and resi   15 and name O) (don and resi   19 and name HN)
assi (acc and resi   16 and name O) (don and resi   20 and name HN)
assi (acc and resi   17 and name O) (don and resi   21 and name HN)
assi (acc and resi   18 and name O) (don and resi   22 and name HN)
assi (acc and resi   19 and name O) (don and resi   23 and name HN)
assi (acc and resi   20 and name O) (don and resi    1 and name HT1)


# Backbone-Backbone       
 assign ((residue 2 and name HA) or (residue 3 and name HA)) (residue 3 and name HN) 2.76 0.55 0.55 
 assign ((residue 2 and name HA) or (residue 3 and name HA)) (residue 4 and name HN) 3.73 1.49 0.75 
 assign (residue 3 and name HN) (residue 4 and name HN) 3.05 1.22 0.61 
 assign (residue 4 and name HA#) (residue 3 and name HN) 4.25 0.85 0.85 
 assign (residue 4 and name HA#) (residue 4 and name HN) 2.22 0.89 0.44 
 assign (residue 4 and name HA#) (residue 5 and name HN) 2.47 0.49 0.49 
 assign (residue 4 and name HN) (residue 5 and name HN) 2.70 0.54 0.54 
 assign (residue 5 and name HN) (residue 6 and name HN) 2.68 0.54 0.54 
 assign (residue 6 and name HA) (residue 6 and name HN) 2.85 0.57 0.57 
 assign (residue 6 and name HA) (residue 7 and name HN) 3.48 0.70 0.70 
 assign (residue 6 and name HN) (residue 7 and name HN) 2.60 0.52 0.52 
 assign (residue 7 and name HA) (residue 6 and name HN) 5.04 1.01 1.01 
 assign (residue 7 and name HA) (residue 7 and name HN) 2.61 0.52 0.52 
 assign (residue 7 and name HA) (residue 8 and name HN) 3.37 0.67 0.67 
 assign (residue 8 and name HA#) (residue 8 and name HN) 2.09 0.42 0.42 
 assign (residue 8 and name HA#) (residue 9 and name HN) 2.87 0.57 0.57 
 assign (residue 9 and name HA) (residue 8 and name HN) 5.05 1.52 1.52 
 assign (residue 9 and name HA) (residue 9 and name HN) 3.28 1.31 1.31 
 assign (residue 9 and name HN) (residue 10 and name HN) 2.74 0.55 0.55 
 assign (residue 10 and name HA) (residue 10 and name HN) 2.78 0.56 0.56 
 assign (residue 10 and name HA) (residue 11 and name HN) 3.31 0.66 0.66 
 assign (residue 10 and name HN) (residue 11 and name HN) 2.48 0.50 0.50 
 assign (residue 11 and name HA) (residue 11 and name HN) 2.50 0.50 0.50 
 assign (residue 11 and name HA) (residue 12 and name HN) 3.46 0.69 0.69 
 assign (residue 11 and name HN) (residue 12 and name HN) 2.56 0.51 0.51 
 assign (residue 12 and name HA1) (residue 12 and name HN) 2.51 0.50 0.50 
 assign (residue 12 and name HA2) (residue 12 and name HN) 2.88 0.58 0.58 
 assign (residue 12 and name HA1) (residue 13 and name HN) 3.37 0.67 1.01 
 assign (residue 12 and name HA2) (residue 13 and name HN) 3.56 0.71 0.71 
 assign (residue 12 and name HN) (residue 13 and name HN) 2.25 0.45 0.45 
 assign (residue 13 and name HA1) (residue 12 and name HN) 4.79 0.96 0.96 
 assign (residue 13 and name HA2) (residue 12 and name HN) 4.39 0.88 0.88 
 assign (residue 13 and name HA1) (residue 13 and name HN) 2.49 0.50 0.50 
 assign (residue 13 and name HA2) (residue 13 and name HN) 2.28 0.46 0.46 
 assign (residue 13 and name HA1) (residue 14 and name HN) 2.85 1.14 0.57 
 assign (residue 13 and name HA2) (residue 14 and name HN) 3.12 1.25 0.62 
 assign (residue 14 and name HA) (residue 14 and name HN) 3.45 1.38 0.69 
 assign (residue 14 and name HA) (residue 15 and name HN) 3.40 0.68 0.68 
 assign (residue 14 and name HN) (residue 13 and name HN) 4.00 0.80 0.80 
 assign (residue 14 and name HN) (residue 15 and name HN) 3.20 0.64 0.64 
 assign (residue 15 and name HA) (residue 15 and name HN) 2.51 0.50 0.50 
 assign (residue 15 and name HA) (residue 16 and name HN) 3.28 0.66 0.66 
 assign (residue 15 and name HN) (residue 16 and name HN) 2.67 0.53 0.53 
 assign (residue 16 and name HA1) (residue 15 and name HN) 4.08 0.82 0.82 
 assign (residue 16 and name HA2) (residue 15 and name HN) 4.56 0.91 0.91 
 assign (residue 16 and name HA1) (residue 16 and name HN) 2.37 0.47 0.47 
 assign (residue 16 and name HA2) (residue 16 and name HN) 2.56 0.51 0.51 
 assign (residue 16 and name HA1) (residue 17 and name HN) 3.14 0.63 0.63 
 assign (residue 16 and name HA2) (residue 17 and name HN) 3.40 0.68 0.68 
 assign (residue 16 and name HN) (residue 17 and name HN) 2.67 0.53 0.53 
 assign ((residue 17 and name HA) or (residue 19 and name HA)) (residue 20 and name HN) 3.15 0.63 0.63 
 assign (residue 17 and name HA) (residue 17 and name HN) 3.11 0.62 0.62 
 assign (residue 17 and name HA) (residue 18 and name HN) 3.84 0.77 0.77 
 assign (residue 17 and name HN) (residue 18 and name HN) 2.96 0.59 0.59 
 assign ((residue 18 and name HA) or (residue 20 and name HA#)) (residue 21 and name HN) 2.63 0.53 0.53 
 assign (residue 18 and name HA) (residue 18 and name HN) 2.82 0.56 0.56 
 assign (residue 18 and name HA) (residue 19 and name HN) 3.17 0.63 0.63 
 assign (residue 18 and name HN) (residue 19 and name HN) 2.62 0.52 0.52 
 assign (residue 19 and name HA) (residue 19 and name HN) 2.59 0.52 0.52 
 assign (residue 19 and name HN) (residue 20 and name HN) 2.62 0.52 0.52 
 assign (residue 20 and name HA#) (residue 20 and name HN) 1.96 0.39 0.39 
 assign (residue 20 and name HN) (residue 21 and name HN) 2.71 0.54 0.54 
 assign (residue 21 and name HA) (residue 21 and name HN) 2.84 0.57 0.57 
 assign (residue 21 and name HA) (residue 22 and name HN) 3.72 0.74 0.74 
 assign (residue 21 and name HN) (residue 22 and name HN) 2.82 0.56 0.56 
 assign (residue 22 and name HA) (residue 22 and name HN) 2.91 0.58 0.58 
 assign (residue 22 and name HN) (residue 23 and name HN) 2.66 0.53 0.53 
 assign (residue 23 and name HA#) (residue 23 and name HN) 1.89 0.38 0.38 
        
        
# Backbone-Sidechain       
 assign (residue 2 and name HB#) (residue 3 and name HN) 2.66 0.67 0.67 
 assign (residue 2 and (name HD1# or name HD2#)) (residue 3 and name HN) 3.65 0.91 0.91 
 assign (residue 2 and name HG) (residue 3 and name HN) 4.20 1.05 1.05 
 assign (residue 3 and name HB#) (residue 3 and name HN) 2.26 0.57 0.57 
 assign (residue 3 and name HB#) (residue 4 and name HN) 2.87 1.44 0.72 
 assign (residue 5 and name HB#) (residue 4 and name HN) 4.84 2.42 1.21 
 assign (residue 5 and name HB#) (residue 5 and name HN) 2.24 0.56 0.56 
 assign (residue 5 and name HB#) (residue 6 and name HN) 2.90 0.73 0.73 
 assign (residue 6 and (name HB or name HG1#)) (residue 6 and name HN) 1.93 0.48 0.48 
 assign (residue 6 and name HD1#) (residue 6 and name HN) 3.31 0.83 0.83 
 assign (residue 6 and name HD1#) (residue 7 and name HN) 4.06 1.02 1.02 
 assign (residue 6 and name HG2#) (residue 6 and name HN) 3.31 0.83 0.83 
 assign ((residue 6 and name HG2#) or (residue 10 and name HD1#)) (residue 7 and name HN) 2.94 0.74 0.74 
 assign (residue 7 and name HB#) (residue 6 and name HN) 4.45 1.11 1.11 
 assign (residue 7 and name HB#) (residue 7 and name HN) 2.10 0.53 0.53 
 assign (residue 7 and name HB#) (residue 8 and name HN) 2.71 0.68 0.68 
 assign (residue 9 and name HB#) (residue 8 and name HN) 4.76 1.19 1.19 
 assign (residue 9 and name HB#) (residue 9 and name HN) 2.37 0.59 0.59 
 assign (residue 9 and name HB#) (residue 10 and name HN) 3.02 0.76 0.76 
 assign ((residue 10 and name HB) or (residue 11 and name HB#)) (residue 10 and name HN) 2.29 0.57 0.57 
 assign ((residue 10 and name HB) or (residue 11 and name HB#)) (residue 11 and name HN) 1.85 0.46 0.46 
 assign ((residue 10 and name HB) or (residue 11 and name HB#)) (residue 12 and name HN) 2.63 0.66 0.66 
 assign (residue 10 and (name HD1# or name HG2#)) (residue 10 and name HN) 2.90 0.73 0.73 
 assign (residue 10 and name HG1#) (residue 10 and name HN) 2.24 0.56 0.56 
 assign (residue 10 and (name HD1# or name HG2#)) (residue 11 and name HN) 3.17 0.79 0.79 
 assign (residue 11 and name HG#) (residue 11 and name HN) 3.00 0.75 0.75 
 assign (residue 14 and name HB#) (residue 14 and name HN) 2.54 1.27 0.64 
 assign (residue 14 and name HB#) (residue 15 and name HN) 2.33 0.58 0.58 
 assign (residue 15 and name HB) (residue 15 and name HN) 2.29 0.57 0.57 
 assign (residue 15 and name HB) (residue 16 and name HN) 2.77 0.69 0.69 
 assign (residue 15 and name HG2#) (residue 15 and name HN) 2.99 0.75 0.75 
 assign (residue 15 and name HG2#) (residue 16 and name HN) 3.86 0.97 0.97 
 assign (residue 17 and (name HB# or name HG#)) (residue 16 and name HN) 4.14 1.04 1.04 
 assign (residue 17 and (name HB# or name HG#)) (residue 17 and name HN) 2.17 0.54 0.54 
 assign (residue 17 and (name HB# or name HG#)) (residue 18 and name HN) 2.46 0.62 0.62 
 assign (residue 17 and name HE#) (residue 17 and name HN) 4.71 1.18 1.18 
 assign (residue 18 and name HB) (residue 18 and name HN) 2.34 0.59 0.59 
 assign (residue 18 and name HB) (residue 19 and name HN) 2.49 0.62 0.62 
 assign (residue 18 and name HD1#) (residue 18 and name HN) 3.91 0.98 0.98 
 assign (residue 18 and name HD1#) (residue 19 and name HN) 4.71 1.18 1.18 
 assign (residue 18 and name HG1#) (residue 18 and name HN) 2.35 0.59 0.59 
 assign (residue 18 and name HG1#) (residue 19 and name HN) 3.53 0.88 0.88 
 assign (residue 18 and name HG2#) (residue 18 and name HN) 3.42 0.86 0.86 
 assign (residue 18 and name HG2#) (residue 19 and name HN) 3.29 0.82 0.82 
 assign (residue 19 and name HB#) (residue 19 and name HN) 2.01 0.50 0.50 
 assign (residue 19 and name HB#) (residue 20 and name HN) 2.49 0.62 0.62 
 assign (residue 21 and name HB#) (residue 21 and name HN) 2.10 0.53 0.53 
 assign (residue 21 and name HB#) (residue 22 and name HN) 2.43 0.61 0.61 
 assign (residue 22 and name HB#) (residue 22 and name HN) 2.24 0.56 0.56 
 assign (residue 22 and name HB#) (residue 23 and name HN) 2.94 0.74 0.74 
        
        
# Backbone-Aromatic       
 assign (residue 3 and (name HD# or name HE# or name HZ)) (residue 3 and name HN) 4.03 1.01 1.01 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 9 and name HN) 3.81 0.95 0.95 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 10 and name HN) 3.89 0.97 0.97 
 assign (residue 14 and name HD1) (residue 14 and name HN) 3.99 2.00 1.00 
 assign (residue 14 and name HD1) (residue 15 and name HN) 3.84 0.96 0.96 
 assign (residue 14 and name HE3) (residue 15 and name HN) 4.70 1.18 1.18 
 assign (residue 21 and name HD1) (residue 21 and name HN) 4.26 1.07 1.07 
 assign (residue 21 and name HD1) (residue 22 and name HN) 3.85 0.96 0.96 
 assign ((residue 21 and name HH2) or residue 22 and (name HD# or name HE#)) (residue 22 and name HN) 4.93 2.47 1.23 
 assign ((residue 21 and name HH2) or residue 22 and (name HD# or name HE#)) (residue 21 and name HN) 4.60 1.15 1.15 
 assign ((residue 21 and name HH2) or residue 22 and (name HD# or name HE#)) (residue 22 and name HN) 2.91 0.73 0.73 
 assign ((residue 21 and name HH2) or residue 22 and (name HD# or name HE#)) (residue 23 and name HN) 4.66 1.17 1.17 

        
# Backbone-Backbone       
 assign (residue 10 and name HA) (residue 9 and name HA) 5.58 1.12 1.12 
 assign (residue 10 and name HA) (residue 11 and name HA) 5.04 1.01 1.01 
 assign (residue 15 and name HA) (residue 14 and name HA) 5.05 1.01 1.01 
        
        
# Backbone-Sidechain       
 assign (residue 2 and name HA) (residue 2 and name HB#) 2.67 0.67 0.67 
 assign (residue 2 and name HA) (residue 2 and (name HD1# or name HD2#)) 1.94 0.49 0.49 
 assign (residue 2 and name HA) (residue 2 and name HG) 3.40 0.85 0.85 
 assign (residue 3 and name HA) (residue 3 and name HB#) 2.40 0.60 0.60 
 assign (residue 5 and name HA) (residue 5 and name HB#) 2.40 0.60 0.60 
 assign ((residue 6 and name HG2#) or (residue 10 and name HD1#)) (residue 7 and name HA) 2.46 0.62 0.62 
 assign (residue 6 and name HA) (residue 6 and name HD1#) 3.18 0.80 0.80 
 assign (residue 6 and name HA) (residue 6 and name HG2#) 2.34 0.59 0.59 
 assign (residue 6 and name HA) (residue 7 and name HB#) 5.82 1.46 1.46 
 assign (residue 6 and name HD1#) (residue 7 and name HA) 6.27 1.57 1.57 
 assign (residue 7 and name HA) (residue 7 and name HB#) 1.92 0.48 0.48 
 assign (residue 9 and name HA) (residue 9 and name HB#) 2.99 0.75 0.75 
 assign (residue 10 and name HA) (residue 10 and name HB) 3.27 0.82 0.82 
 assign (residue 10 and name HA) (residue 10 and name HD1#) 2.88 0.72 0.72 
 assign (residue 10 and name HA) (residue 10 and name HG2#) 2.32 0.58 0.58 
 assign (residue 10 and name HA) (residue 10 and name HG1#) 2.63 0.66 0.66 
 assign (residue 10 and name HG2#) (residue 11 and name HA) 3.20 0.80 0.80 
 assign (residue 11 and name HA) (residue 11 and name HB#) 2.36 0.59 0.59 
 assign (residue 11 and name HA) (residue 11 and name HG#) 2.99 0.75 0.75 
 assign (residue 14 and name HA) (residue 14 and name HB#) 2.94 0.74 0.74 
 assign (residue 15 and name HA) (residue 15 and name HB) 2.51 0.63 0.63 
 assign (residue 15 and name HA) (residue 15 and name HG2#) 2.12 0.53 0.53 
 assign (residue 15 and name HG2#) (residue 14 and name HA) 6.42 1.61 1.61 
 assign (residue 15 and name HG2#) (residue 19 and name HA) 6.14 1.54 1.54 
 assign (residue 17 and name HA) (residue 17 and name HE#) 4.87 1.22 1.22 
 assign (residue 17 and name HA) (residue 17 and name HG#) 3.14 0.79 0.79 
 assign (residue 17 and name HE#) (residue 18 and name HA) 4.32 1.08 1.08 
 assign (residue 18 and name HA) (residue 18 and name HB) 3.41 0.85 0.85 
 assign (residue 18 and name HA) (residue 18 and name HD1#) 3.02 0.76 0.76 
 assign (residue 18 and name HA) (residue 18 and name HG2#) 2.53 0.63 0.63 
 assign (residue 18 and name HD1#) ((residue 17 and name HA) or (residue 19 and name HA)) 6.27 1.57 1.57 
 assign (residue 18 and name HG1#) ((residue 17 and name HA) or (residue 19 and name HA)) 5.46 1.37 1.37 
 assign (residue 18 and name HG2#) ((residue 17 and name HA) or (residue 19 and name HA)) 3.81 0.95 0.95 
 assign (residue 19 and name HA) (residue 19 and name HB#) 2.53 0.63 0.63 
 assign (residue 22 and name HA) (residue 22 and name HB#) 2.74 0.69 0.69 
 assign ((residue 6 and name HG2#) or (residue 10 and name HD1#)) (residue 9 and name HA) 6.19 1.55 1.55 
 assign (residue 14 and name HB#) (residue 15 and name HA) 4.72 1.18 1.18 
 assign (residue 16 and name HA2) (residue 15 and name HG2#) 4.71 1.18 1.18 
 assign ((residue 17 and name HA) or (residue 19 and name HA)) (residue 18 and name HB) 5.21 1.30 1.30 
 assign ((residue 17 and name HA) or (residue 19 and name HA)) (residue 18 and name HD1#) 7.18 1.80 1.80 
 assign (residue 18 and name HA) (residue 17 and name HG#) 4.46 1.12 1.12 
        
        
# Sidechain-Sidechain       
 assign (residue 2 and name HB#) (residue 2 and name HG) 2.75 0.83 0.83 
 assign (residue 2 and (name HD1# or name HD2#)) (residue 2 and name HG) 1.98 0.59 0.59 
 assign (residue 6 and name HD1#) (residue 5 and name HB#) 4.43 1.33 1.33 
 assign (residue 7 and name HB#) (residue 6 and name HB) 4.89 1.47 1.47 
 assign (residue 10 and name HB) (residue 10 and name HD1#) 2.40 0.72 0.72 
 assign (residue 10 and name HB) (residue 10 and name HG2#) 2.16 0.65 0.65 
 assign (residue 10 and name HG2#) (residue 11 and name HG#) 4.15 1.25 1.25 
 assign (residue 11 and name HB#) (residue 11 and name HG#) 2.59 0.78 0.78 
 assign (residue 15 and name HB) (residue 15 and name HG2#) 2.03 0.61 0.61 
 assign (residue 15 and name HG2#) (residue 14 and name HB#) 4.67 1.40 1.40 
 assign (residue 15 and name HG2#) (residue 18 and name HB) 4.58 1.37 1.37 
 assign (residue 15 and name HG2#) (residue 19 and name HB#) 5.27 1.58 1.58 
 assign (residue 17 and name HB#) (residue 17 and name HE#) 3.03 0.91 0.91 
 assign (residue 17 and name HE#) (residue 17 and name HG#) 3.10 0.93 0.93 
 assign (residue 17 and name HE#) (residue 18 and name HD1#) 2.85 0.86 0.86 
 assign (residue 17 and name HE#) (residue 18 and name HG2#) 4.20 1.26 1.26 
 assign (residue 17 and name HG#) (residue 17 and name HE#) 3.06 0.92 0.92 
 assign (residue 18 and name HB) (residue 18 and name HD1#) 3.09 0.93 0.93 
 assign (residue 18 and name HB) (residue 18 and name HG1#) 2.88 0.86 0.86 
 assign (residue 18 and name HB) (residue 18 and name HG2#) 2.39 0.72 0.72 
 assign (residue 18 and name HD1#) (residue 17 and name HB#) 5.59 1.68 1.68 
 assign (residue 18 and name HD1#) (residue 17 and name HG#) 5.37 1.61 1.61 
 assign (residue 18 and name HD1#) (residue 18 and name HG1#) 2.27 0.68 0.68 
 assign (residue 18 and name HD1#) (residue 18 and name HG2#) 2.23 0.67 0.67 
 assign (residue 18 and name HG2#) (residue 17 and name HE#) 3.77 1.13 1.13 
 assign (residue 18 and name HG2#) (residue 19 and name HB#) 5.80 1.74 1.74 
 assign (residue 5 and name HB#) (residue 6 and name HD1#) 5.48 1.64 1.64 
 assign (residue 6 and name HB) (residue 7 and name HB#) 5.37 1.61 1.61 
 assign ((residue 6 and name HG2#) or (residue 10 and name HD1#)) (residue 11 and name HG#) 4.00 1.20 1.20 
        
        
# Aromatic-Backbone       
 assign (residue 3 and (name HD# or name HE# or name HZ)) ((residue 2 and name HA) or (residue 3 and name HA)) 2.93 0.88 0.88 
 assign (residue 3 and (name HD# or name HE# or name HZ)) (residue 4 and name HA#) 5.14 1.54 1.54 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 9 and name HA) 3.30 0.99 0.99 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 10 and name HA) 4.03 1.21 1.21 
 assign (residue 14 and name HD1) (residue 14 and name HA) 4.29 1.29 1.29 
 assign (residue 14 and name HE3) (residue 14 and name HA) 3.07 0.92 0.92 
 assign (residue 14 and name HZ3) (residue 14 and name HA) 4.78 1.43 1.43 
 assign (residue 14 and name HD1) (residue 15 and name HA) 3.39 1.02 1.02 
 assign (residue 14 and name HE3) (residue 15 and name HA) 5.88 1.76 1.76 
 assign (residue 21 and name HD1) (residue 21 and name HA) 4.70 1.41 1.41 
 assign (residue 21 and name HE3) (residue 21 and name HA) 2.91 0.87 0.87 
 assign (residue 21 and name HZ3) (residue 21 and name HA) 4.33 1.30 1.30 
 assign (residue 22 and name HD#) (residue 21 and name HA) 6.10 1.83 1.83 
 assign (residue 21 and name HD1) (residue 22 and name HA) 4.49 1.35 1.35 
 assign (residue 22 and name HA) (residue 22 and name HD#) 2.78 0.83 0.83 
 assign (residue 22 and name HA) ((residue 21 and name HH2) or (residue 22 and name HE#)) 4.00 1.20 1.20 
 assign (residue 21 and name HA) (residue 22 and name HD#) 6.10 1.83 1.83 
        
        
# Aromatic-Sidechain       
 assign (residue 3 and (name HD# or name HE# or name HZ)) (residue 2 and name HB#) 4.70 1.65 1.65 
 assign (residue 3 and (name HD# or name HE# or name HZ)) (residue 2 and (name HD1# or name HD2#)) 2.81 0.98 0.98 
 assign (residue 3 and (name HD# or name HE# or name HZ)) (residue 2 and name HG) 4.21 1.47 1.47 
 assign (residue 3 and (name HD# or name HE# or name HZ)) (residue 3 and name HB#) 2.88 1.01 1.01 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 9 and name HB#) 2.86 1.00 1.00 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 10 and name HG1#) 3.88 1.36 1.36 
 assign (residue 14 and name HD1) (residue 14 and name HB#) 2.88 1.01 1.01 
 assign (residue 14 and name HE3) (residue 14 and name HB#) 3.15 1.10 1.10 
 assign (residue 14 and name HD1) (residue 15 and name HG2#) 3.38 1.18 1.18 
 assign (residue 14 and name HD1) (residue 15 and name HB) 5.21 1.82 1.82 
 assign (residue 15 and name HG2#) (residue 14 and name HE3) 6.78 2.37 2.37 
 assign (residue 21 and name HD1) (residue 21 and name HB#) 3.21 1.12 1.12 
 assign (residue 21 and name HE3) (residue 21 and name HB#) 3.34 1.17 1.17 
 assign (residue 22 and name HD#) (residue 21 and name HB#) 4.13 1.45 1.45 
 assign (residue 21 and name HD1) (residue 22 and name HD#) 3.70 1.30 1.30 
 assign (residue 21 and name HD1) ((residue 21 and name HH2) or (residue 22 and name HE#)) 3.51 1.23 1.23 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 10 and name HB) 4.87 1.70 1.70 
 assign (residue 14 and name HZ3) (residue 14 and name HB#) 5.01 1.75 1.75 
 assign (residue 14 and name HE3) (residue 15 and name HA) 6.56 2.30 2.30 
        
# Backbone-Backbone       
 assign ((residue 2 and name HA) or (residue 3 and name HA)) (residue 5 and name HN) 3.11 0.62 0.62 
 assign ((residue 2 and name HA) or (residue 3 and name HA)) (residue 6 and name HN) 3.15 0.63 0.63 
 assign ((residue 2 and name HA) or (residue 3 and name HA)) (residue 7 and name HN) 3.66 0.73 0.73 
 assign (residue 3 and name HN) (residue 5 and name HN) 4.41 0.88 0.88 
 assign (residue 4 and name HA#) (residue 6 and name HN) 4.15 0.83 0.83 
 assign (residue 4 and name HA#) (residue 7 and name HN) 3.26 0.65 0.65 
 assign (residue 4 and name HN) (residue 6 and name HN) 4.89 0.98 0.98 
 assign (residue 6 and name HA) (residue 9 and name HN) 3.09 0.62 0.62 
 assign (residue 6 and name HA) (residue 10 and name HN) 4.24 0.85 0.85 
 assign (residue 6 and name HN) (residue 8 and name HN) 4.41 0.88 0.88 
 assign (residue 7 and name HA) (residue 9 and name HN) 4.59 0.92 0.92 
 assign (residue 7 and name HA) (residue 10 and name HN) 3.62 0.72 0.72 
 assign (residue 7 and name HA) (residue 11 and name HN) 4.19 0.84 0.84 
 assign ((residue 8 and name HN) or (residue 9 and name HN)) (residue 11 and name HN) 4.08 0.82 0.82 
 assign (residue 8 and name HA#) (residue 10 and name HN) 4.72 1.89 0.94 
 assign (residue 8 and name HA#) (residue 11 and name HN) 3.83 0.77 0.77 
 assign (residue 8 and name HA#) (residue 12 and name HN) 4.00 0.80 0.80 
 assign (residue 9 and name HA) (residue 13 and name HN) 3.25 0.65 1.3 
 assign (residue 10 and name HA) (residue 12 and name HN) 4.86 0.97 0.97 
 assign (residue 10 and name HA) (residue 13 and name HN) 4.66 0.93 0.93 
 assign (residue 10 and name HN) (residue 8 and name HN) 4.60 0.92 0.92 
 assign (residue 10 and name HN) (residue 12 and name HN) 4.42 0.88 0.88 
 assign (residue 11 and name HA) (residue 13 and name HN) 4.63 0.93 0.93 
 assign (residue 11 and name HN) (residue 13 and name HN) 3.83 0.77 0.77 
 assign (residue 12 and name HA2) (residue 16 and name HN) 4.35 0.87 0.87 
 assign (residue 13 and name HA1) (residue 15 and name HN) 4.10 0.82 0.82 
 assign (residue 13 and name HA2) (residue 15 and name HN) 5.01 1.00 1.00 
 assign (residue 14 and name HA) (residue 17 and name HN) 3.63 0.73 0.73 
 assign (residue 14 and name HA) (residue 18 and name HN) 4.40 0.88 0.88 
 assign (residue 15 and name HA) (residue 17 and name HN) 4.43 1.77 0.89 
 assign (residue 15 and name HA) (residue 18 and name HN) 3.35 0.67 0.67 
 assign (residue 15 and name HA) (residue 19 and name HN) 3.70 0.74 0.74 
 assign (residue 16 and name HN) (residue 14 and name HN) 4.18 1.67 0.84 
 assign (residue 16 and name HN) (residue 18 and name HN) 4.74 0.95 0.95 
 assign (residue 16 and name HA2) (residue 19 and name HN) 3.75 0.75 0.75 
 assign ((residue 17 and name HA) or (residue 19 and name HA)) (residue 21 and name HN) 3.80 0.76 0.76 
 assign ((residue 17 and name HA) or (residue 19 and name HA)) (residue 22 and name HN) 3.96 0.79 0.79 
 assign ((residue 17 and name HA) or (residue 19 and name HA)) (residue 23 and name HN) 4.34 0.87 0.87 
 assign (residue 17 and name HN) (residue 19 and name HN) 4.45 0.89 0.89 
 assign ((residue 18 and name HA) or (residue 20 and name HA#)) (residue 22 and name HN) 3.70 0.74 0.74 
 assign (residue 18 and name HN) (residue 20 and name HN) 4.59 0.92 0.92 
 assign (residue 20 and name HA#) (residue 23 and name HN) 3.65 0.73 0.73 
 assign (residue 21 and name HA) (residue 23 and name HN) 4.53 0.91 0.91 
 assign (residue 21 and name HN) (residue 19 and name HN) 4.18 0.84 0.84 
 assign (residue 21 and name HN) (residue 23 and name HN) 4.43 0.89 0.89 
 assign (residue 22 and name HN) (residue 20 and name HN) 4.87 0.97 0.97 
        
        
# Backbone-Sidechain       
 assign (residue 3 and name HB#) (residue 5 and name HN) 4.04 1.01 1.01 
 assign (residue 3 and name HB#) (residue 6 and name HN) 4.64 1.16 1.16 
 assign (residue 5 and name HB#) (residue 7 and name HN) 4.72 1.18 1.18 
 assign (residue 6 and name HG2#) (residue 8 and name HN) 4.89 1.22 1.22 
 assign ((residue 6 and name HG2#) or (residue 10 and name HD1#)) (residue 9 and name HN) 4.32 1.08 1.08 
 assign (residue 7 and name HB#) (residue 10 and name HN) 5.23 1.31 1.31 
 assign ((residue 10 and name HB) or (residue 11 and name HB#)) (residue 13 and name HN) 4.32 1.08 1.08 
 assign (residue 15 and name HG2#) (residue 19 and name HN) 5.14 1.29 1.29 
 assign (residue 18 and name HG2#) (residue 22 and name HN) 5.13 1.28 1.28 
        
        
# Backbone-Aromatic       
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 13 and name HN) 4.32 1.08 1.08 

        
# Backbone-Backbone       
 assign (residue 6 and name HA) ((residue 2 and name HA) or (residue 3 and name HA)) 5.02 1.00 1.00 
 assign (residue 7 and name HA) (residue 10 and name HA) 4.86 0.97 0.97 
 assign (residue 18 and name HA) (residue 21 and name HA) 4.85 0.97 0.97 
 assign (residue 17 and name HA) (residue 14 and name HA) 5.23 1.05 1.05 
 assign (residue 13 and name HA1) (residue 9 and name HA) 5.22 2.09 1.04 
 assign (residue 13 and name HA2) (residue 9 and name HA) 4.95 1.98 0.99 
 assign (residue 2 and name HA) (residue 4 and name HA#) 5.06 1.01 1.01 
 assign ((residue 9 and name HA) or (residue 17 and name HA)) (residue 6 and name HA) 4.60 0.92 0.92 
 assign (residue 16 and name HA2) ((residue 12 and name HA2) or (residue 17 and name HA)) 4.75 0.95 0.95 
 assign (residue 21 and name HA) (residue 18 and name HA) 4.87 0.97 0.97 
        
        
# Backbone-Sidechain       
 assign ((residue 2 and name HA) or (residue 3 and name HA)) (residue 5 and name HB#) 2.88 0.72 0.72 
 assign ((residue 2 and name HA) or (residue 3 and name HA)) (residue 6 and name HB) 3.18 0.80 0.80 
 assign ((residue 2 and name HA) or (residue 3 and name HA)) (residue 6 and name HD1#) 2.75 0.69 0.69 
 assign (residue 4 and name HA#) (residue 7 and name HB#) 2.83 0.71 0.71 
 assign (residue 7 and name HA) (residue 10 and name HG1#) 3.74 0.94 0.94 
 assign (residue 7 and name HA) (residue 10 and name HG2#) 3.34 0.84 0.84 
 assign (residue 11 and name HG#) (residue 7 and name HA) 5.86 1.47 1.47 
 assign (residue 17 and name HB#) (residue 14 and name HA) 3.74 0.94 0.94 
 assign (residue 17 and name HE#) (residue 14 and name HA) 3.44 0.86 0.86 
 assign (residue 17 and name HG#) (residue 14 and name HA) 4.36 1.09 1.09 
 assign (residue 18 and name HD1#) (residue 14 and name HA) 5.86 1.47 1.47 
 assign (residue 15 and name HA) (residue 18 and name HB) 2.72 0.68 0.68 
 assign (residue 18 and name HD1#) (residue 15 and name HA) 3.20 0.80 0.80 
 assign (residue 18 and name HG1#) (residue 15 and name HA) 3.62 0.91 0.91 
 assign (residue 18 and name HG2#) (residue 15 and name HA) 3.66 0.92 0.92 
 assign (residue 16 and name HA#) (residue 19 and name HB#) 3.58 0.90 0.90 
 assign (residue 18 and name HG2#) (residue 21 and name HA) 6.61 1.65 1.65 
 assign (residue 18 and name HG2#) (residue 22 and name HA) 5.80 1.45 1.45 
 assign (residue 4 and name HA#) (residue 6 and name HG2#) 5.66 1.42 1.42 
 assign (residue 5 and name HB#) (residue 1 and name HA#) 4.00 1.00 1.00 
 assign (residue 5 and name HB#) (residue 9 and name HA) 5.03 1.26 1.26 
 assign (residue 6 and name HA) (residue 9 and name HB#) 3.34 0.84 0.84 
 assign (residue 8 and name HA#) (residue 11 and name HB#) 3.39 0.85 0.85 
 assign ((residue 6 and name HG2#) or (residue 10 and name HD1#)) (residue 11 and name HA) 5.30 1.33 1.33 
 assign (residue 18 and name HA) (residue 21 and name HB#) 3.20 0.80 0.80 
 assign (residue 19 and name HB#) (residue 16 and name HA1) 4.17 1.04 1.04 
 assign (residue 19 and name HB#) (residue 16 and name HA2) 3.92 0.98 0.98 
        
# Sidechain-Sidechain       
 assign (residue 2 and (name HD1# or name HD2#)) (residue 5 and name HB#) 2.52 0.76 0.76 
 assign (residue 3 and name HB#) (residue 6 and name HB) 4.71 1.41 1.41 
 assign (residue 3 and name HB#) (residue 6 and name HD1#) 4.50 1.35 1.35 
 assign (residue 6 and name HD1#) (residue 2 and name HG) 3.36 1.01 1.01 
 assign (residue 7 and name HB#) (residue 3 and name HB#) 5.27 1.58 1.58 
 assign (residue 7 and name HB#) (residue 10 and name HB) 4.00 1.20 1.20 
 assign (residue 17 and name HE#) (residue 14 and name HB#) 4.85 1.51 1.26 
 assign (residue 18 and name HD1#) (residue 14 and name HB#) 5.53 1.66 1.66 
 assign (residue 18 and name HD1#) (residue 15 and name HB) 6.16 1.85 1.85 
 assign (residue 15 and name HG2#) (residue 18 and name HD1#) 4.41 1.32 1.32 
 assign (residue 18 and name HG1#) (residue 15 and name HB) 5.77 1.73 1.73 
 assign (residue 18 and name HG2#) (residue 15 and name HB) 6.91 2.07 2.07 
 assign (residue 18 and name HD1#) (residue 21 and name HB#) 5.88 1.76 1.76 
 assign (residue 18 and name HG2#) (residue 21 and name HB#) 4.64 1.39 1.39 
 assign (residue 18 and name HG2#) (residue 22 and name HB#) 4.80 1.44 1.44 
 assign (residue 3 and name HB#) (residue 7 and name HB#) 5.86 1.76 1.76 
        
        
# Aromatic-Backbone       
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 14 and name HA) 3.63 1.09 1.09 
 assign ((residue 21 and name HH2) or (residue 22 and name HE#)) ((residue 17 and name HA) or (residue 19 and name HA)) 4.63 1.39 1.39 
 assign (residue 18 and name HA) (residue 21 and name HD1) 4.93 1.48 1.48 
 assign (residue 18 and name HA) (residue 21 and name HE3) 5.56 1.67 1.67 
 assign (residue 18 and name HA) ((residue 21 and name HH2) or (residue 22 and name HE#)) 4.49 1.35 1.35 
 assign (residue 18 and name HA) (residue 22 and name HD#) 4.56 1.37 1.37 
 assign (residue 22 and name HD#) (residue 19 and name HA) 4.31 1.29 1.29 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 7 and name HA) 5.95 1.79 1.79 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 13 and name HA#) 4.01 1.20 1.20 
        
        
        
# Aromatic-Sidechain       
 assign (residue 3 and (name HD# or name HE# or name HZ)) (residue 6 and name HB) 5.12 1.79 1.79 
 assign (residue 3 and (name HD# or name HE# or name HZ)) (residue 6 and name HD1#) 3.57 1.25 1.25 
 assign (residue 3 and (name HD# or name HE# or name HZ)) (residue 7 and name HB#) 4.22 1.48 1.48 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 6 and name HG2#) 3.93 1.38 1.38 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 14 and name HE3) 4.23 1.48 1.48 
 assign (residue 14 and name HD1) (residue 17 and name HE#) 5.52 1.93 1.93 
 assign (residue 14 and name HE3) (residue 17 and name HE#) 3.32 1.16 1.16 
 assign (residue 14 and name HZ2) (residue 17 and name HE#) 5.37 1.88 1.88 
 assign (residue 14 and name HZ3) (residue 17 and name HE#) 3.74 1.31 1.31 
 assign (residue 14 and name HD1) (residue 18 and name HD1#) 4.21 1.47 1.47 
 assign (residue 14 and name HD1) (residue 18 and name HB) 5.86 2.05 2.05 
 assign (residue 14 and name HE3) (residue 18 and name HD1#) 5.34 1.87 1.87 
 assign (residue 14 and name HZ2) (residue 18 and name HD1#) 4.47 1.56 1.56 
 assign (residue 14 and name HZ3) (residue 18 and name HD1#) 5.83 2.04 2.04 
 assign (residue 14 and name HD1) (residue 18 and name HG1#) 4.61 1.61 1.61 
 assign (residue 17 and name HE#) (residue 21 and name HE3) 7.17 2.51 2.51 
 assign (residue 18 and name HB) (residue 22 and name HD#) 5.39 1.89 1.89 
 assign (residue 18 and name HD1#) (residue 21 and name HD1) 6.43 2.25 2.25 
 assign (residue 22 and name HD#) (residue 18 and name HD1#) 5.37 1.88 1.88 
 assign ((residue 21 and name HH2) or (residue 22 and name HE#)) (residue 18 and name HD1#) 4.23 1.48 1.48 
 assign (residue 22 and name HD#) (residue 18 and name HG2#) 2.85 1.00 1.00 
 assign ((residue 21 and name HH2) or (residue 22 and name HE#)) (residue 18 and name HG2#) 2.82 0.99 0.99 
 assign (residue 14 and name HD1) (residue 18 and name HG2#) 5.57 1.95 1.95 
 assign (residue 14 and name HE3) (residue 18 and name HG2#) 7.28 2.55 2.55 
 assign (residue 18 and name HG2#) (residue 21 and name HD1) 4.90 1.72 1.72 
 assign (residue 21 and name HD1) (residue 22 and name HB#) 5.02 1.76 1.76 
       
# Backbone-Backbone      
 assign (residue 5 and name HA) (residue 20 and name HN) 4.64 2.78 0.93 
 assign (residue 5 and name HA) (residue 21 and name HN) 4.50 2.70 0.90 
 assign ((residue 8 and name HN) or (residue 9 and name HN)) (residue 17 and name HN) 3.95 0.79 0.79 
 assign (residue 9 and name HA) (residue 17 and name HN) 3.70 1.48 1.48 
 assign (residue 17 and name HA) (residue 5 and name HN) 5.00 1.00 1.00 
 assign (residue 17 and name HA) (residue 8 and name HN) 4.42 0.88 0.88 
 assign (residue 17 and name HA) (residue 9 and name HN) 3.43 0.69 0.69 
 assign (residue 21 and name HA) (residue 5 and name HN) 3.63 0.73 0.73 
       
       
# Backbone-Sidechain      
 assign (residue 5 and name HB#) (residue 20 and name HN) 4.84 1.21 1.21 
 assign (residue 5 and name HB#) (residue 21 and name HN) 3.08 0.77 0.77 
 assign (residue 5 and name HB#) (residue 22 and name HN) 4.89 1.22 1.22 
 assign (residue 9 and name HB#) (residue 17 and name HN) 4.18 2.09 1.05 
 assign (residue 17 and (name HB# or name HG#)) (residue 9 and name HN) 3.32 0.83 0.83 
       
       
# Backbone-Aromatic      
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 17 and name HN) 4.08 2.04 1.02 
 assign (residue 21 and name HE3) (residue 5 and name HN) 3.99 1.00 1.00 
 assign (residue 21 and name HZ3) (residue 5 and name HN) 5.14 1.29 1.29 

       
# Backbone-Backbone      
 assign ((residue 2 and name HA) or (residue 3 and name HA)) (residue 21 and name HA) 4.61 0.92 0.92 
 assign (residue 5 and name HA) (residue 21 and name HA) 5.58 1.12 1.12 
 assign (residue 9 and name HA) (residue 14 and name HA) 5.48 1.10 1.10 
 assign (residue 5 and name HA) (residue 17 and name HA) 3.62 0.72 2.90 
 assign (residue 1 and name HA2) (residue 21 and name HA) 4.08 0.82 0.82 
 assign (residue 1 and name HA1) (residue 21 and name HA) 4.65 0.93 0.93 
 assign (residue 5 and name HA) (residue 20 and name HA#) 2.79 0.56 0.56 
 assign (residue 8 and name HA#) (residue 17 and name HA) 3.57 0.71 0.71 
       
       
# Backbone-Sidechain      
 assign (residue 2 and (name HD1# or name HD2#)) (residue 21 and name HA) 4.83 1.21 1.21 
 assign (residue 5 and name HB#) (residue 21 and name HA) 2.80 0.70 0.70 
 assign (residue 5 and name HB#) (residue 17 and name HA) 3.73 0.93 0.93 
 assign (residue 5 and name HB#) (residue 20 and name HA#) 3.45 0.86 0.86 
 assign (residue 9 and name HA) (residue 17 and name HB#) 3.75 0.94 0.94 
 assign (residue 17 and name HE#) (residue 9 and name HA) 5.57 1.39 1.39 
 assign (residue 9 and name HA) (residue 17 and name HG#) 4.34 1.09 1.09 
 assign (residue 17 and name HG#) (residue 9 and name HA) 4.02 1.01 1.01 
 assign (residue 21 and name HA) (residue 5 and name HB#) 2.90 0.73 0.73 
 assign (residue 5 and name HA) (residue 17 and name HG#) 4.28 1.07 1.07 
 assign (residue 17 and name HB#) (residue 5 and name HA) 4.41 1.10 1.10 
       
       
# Sidechain-Sidechain      
 assign (residue 21 and name HB#) (residue 5 and name HB#) 2.77 0.83 0.83 
 assign (residue 5 and name HB#) (residue 17 and name HG#) 3.01 0.90 0.90 
 assign (residue 9 and name HB#) (residue 17 and name HB#) 3.37 1.01 1.01 
 assign (residue 9 and name HB#) (residue 17 and name HG#) 3.53 1.06 1.06 
 assign (residue 5 and name HB#) (residue 17 and name HB#) 4.42 1.33 1.33 
       
       
# Aromatic-Backbone      
 assign ((residue 2 and name HA) or (residue 3 and name HA)) (residue 21 and name HE3) 3.18 0.95 0.95 
 assign ((residue 2 and name HA) or (residue 3 and name HA)) ((residue 21 and name HH2) or (residue 22 and name HE#)) 4.68 1.40 1.40 
 assign ((residue 2 and name HA) or (residue 3 and name HA)) (residue 21 and name HZ3) 3.15 0.95 0.95 
 assign (residue 21 and name HE3) (residue 5 and name HA) 6.35 1.91 1.91 
 assign (residue 21 and name HZ3) (residue 1 and name HA1) 5.74 1.72 1.72 
 assign (residue 21 and name HZ3) (residue 1 and name HA2) 5.24 1.57 1.57 
 assign (residue 21 and name HZ2) ((residue 2 and name HA) or (residue 3 and name HA)) 6.27 1.88 1.88 
 assign (residue 21 and name HE3) (residue 1 and name HA1) 5.10 1.53 1.53 
 assign (residue 21 and name HZ3) (residue 1 and name HA1) 5.67 1.70 1.70 
 assign (residue 21 and name HZ3) (residue 1 and name HA2) 5.16 1.55 1.55 
       
       
# Aromatic-Sidechain      
 assign (residue 21 and name HZ3) (residue 2 and name HB#) 3.41 1.19 1.19 
 assign (residue 21 and name HZ3) (residue 2 and (name HD1# or name HD2#)) 2.84 0.99 0.99 
 assign (residue 21 and name HZ3) (residue 2 and name HG) 5.21 1.82 1.82 
 assign (residue 21 and name HZ3) (residue 2 and name HB#) 3.20 1.12 1.12 
 assign (residue 21 and name HE3) (residue 2 and (name HD1# or name HD2#)) 3.29 1.15 1.15 
 assign (residue 21 and name HZ2) (residue 2 and (name HD1# or name HD2#)) 5.49 1.92 1.92 
 assign (residue 21 and name HZ3) (residue 2 and (name HD1# or name HD2#)) 2.56 0.90 0.90 
 assign (residue 21 and name HE3) (residue 2 and name HG) 5.41 1.89 1.89 
 assign (residue 21 and name HZ3) (residue 2 and name HG) 4.72 1.65 1.65 
 assign (residue 21 and name HE3) (residue 5 and name HB#) 2.69 0.94 0.94 
 assign ((residue 21 and name HH2) or (residue 22 and name HE#)) (residue 5 and name HB#) 5.13 1.80 1.80 
 assign (residue 21 and name HZ3) (residue 5 and name HB#) 3.71 1.30 1.30 
 assign (residue 21 and name HD1) (residue 5 and name HB#) 5.11 1.79 1.79 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 17 and name HB#) 3.46 1.21 1.21 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 17 and name HE#) 4.05 1.42 1.42 
 assign (residue 9 and (name HD# or name HE# or name HZ)) (residue 17 and name HG#) 3.92 1.37 1.37 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           HT1      GLY   1  18.554  -3.530   5.011
    2    H2   GLY   1           HT2      GLY   1  19.406  -4.761   4.209
    3    H3   GLY   1           HT3      GLY   1  19.691  -4.463   5.857
    4    HA2  GLY   1           HA2      GLY   1  18.210  -6.450   5.187
    5    HA3  GLY   1           HA1      GLY   1  17.710  -5.413   6.531
    6    H    LEU   2           HN       LEU   2  15.680  -6.645   5.574
    7    HA   LEU   2           HA       LEU   2  14.472  -5.738   3.209
    8    HB2  LEU   2           HB2      LEU   2  13.773  -7.739   4.596
    9    HB3  LEU   2           HB1      LEU   2  13.013  -6.605   5.706
   10    HG   LEU   2           HG       LEU   2  11.696  -5.688   3.743
   11   HD11  LEU   2          HD11      LEU   2  11.464  -7.533   1.861
   12   HD12  LEU   2          HD12      LEU   2  13.099  -7.962   2.353
   13   HD13  LEU   2          HD13      LEU   2  12.752  -6.338   1.765
   14   HD21  LEU   2          HD21      LEU   2  11.313  -8.611   4.474
   15   HD22  LEU   2          HD22      LEU   2  10.081  -7.573   3.756
   16   HD23  LEU   2          HD23      LEU   2  10.697  -7.221   5.369
   17    H    PHE   3           HN       PHE   3  14.148  -4.579   6.549
   18    HA   PHE   3           HA       PHE   3  12.221  -2.585   5.990
   19    HB2  PHE   3           HB2      PHE   3  14.261  -2.754   8.226
   20    HB3  PHE   3           HB1      PHE   3  12.887  -1.653   8.190
   21    HD1  PHE   3           HD2      PHE   3  10.550  -2.841   7.648
   22    HD2  PHE   3           HD1      PHE   3  13.966  -4.812   9.370
   23    HE1  PHE   3           HE2      PHE   3   9.075  -4.610   8.560
   24    HE2  PHE   3           HE1      PHE   3  12.482  -6.583  10.272
   25    HZ   PHE   3           HZ       PHE   3  10.039  -6.481   9.869
   26    H    GLY   4           HN       GLY   4  15.761  -2.415   6.330
   27    HA2  GLY   4           HA2      GLY   4  16.040   0.333   5.926
   28    HA3  GLY   4           HA1      GLY   4  17.271  -0.868   5.546
   29    H    ALA   5           HN       ALA   5  15.562  -2.276   3.620
   30    HA   ALA   5           HA       ALA   5  16.228  -0.811   1.267
   31    HB1  ALA   5           HB1      ALA   5  14.450  -3.231   1.671
   32    HB2  ALA   5           HB2      ALA   5  16.164  -3.247   1.255
   33    HB3  ALA   5           HB3      ALA   5  14.984  -2.625   0.102
   34    H    ILE   6           HN       ILE   6  13.147  -1.481   2.925
   35    HA   ILE   6           HA       ILE   6  11.486  -0.186   1.053
   36    HB   ILE   6           HB       ILE   6  11.099  -0.572   4.033
   37   HG12  ILE   6          HG12      ILE   6   9.953  -2.148   1.710
   38   HG13  ILE   6          HG11      ILE   6  11.423  -2.624   2.562
   39   HG21  ILE   6          HG21      ILE   6   9.198   0.282   1.830
   40   HG22  ILE   6          HG22      ILE   6   9.574   1.147   3.320
   41   HG23  ILE   6          HG23      ILE   6   8.645  -0.347   3.381
   42   HD11  ILE   6          HD11      ILE   6  10.214  -2.804   4.661
   43   HD12  ILE   6          HD12      ILE   6   9.364  -3.753   3.440
   44   HD13  ILE   6          HD13      ILE   6   8.748  -2.169   3.912
   45    H    ALA   7           HN       ALA   7  12.897   1.036   4.108
   46    HA   ALA   7           HA       ALA   7  11.893   3.677   3.811
   47    HB1  ALA   7           HB1      ALA   7  13.608   4.229   5.543
   48    HB2  ALA   7           HB2      ALA   7  14.224   2.582   5.398
   49    HB3  ALA   7           HB3      ALA   7  12.583   2.861   5.980
   50    H    GLY   8           HN       GLY   8  14.999   2.153   2.988
   51    HA2  GLY   8           HA2      GLY   8  16.318   4.497   2.128
   52    HA3  GLY   8           HA1      GLY   8  16.732   2.850   1.646
   53    H    PHE   9           HN       PHE   9  14.128   2.248   0.536
   54    HA   PHE   9           HA       PHE   9  14.541   3.145  -2.109
   55    HB2  PHE   9           HB2      PHE   9  13.464   1.041  -1.798
   56    HB3  PHE   9           HB1      PHE   9  12.241   1.746  -0.749
   57    HD1  PHE   9           HD2      PHE   9  13.620   2.170  -4.221
   58    HD2  PHE   9           HD1      PHE   9  10.140   2.267  -1.703
   59    HE1  PHE   9           HE2      PHE   9  12.204   2.629  -6.198
   60    HE2  PHE   9           HE1      PHE   9   8.726   2.738  -3.687
   61    HZ   PHE   9           HZ       PHE   9   9.759   2.917  -5.933
   62    H    ILE  10           HN       ILE  10  12.225   4.073   0.396
   63    HA   ILE  10           HA       ILE  10  10.765   5.911  -1.202
   64    HB   ILE  10           HB       ILE  10  11.146   5.787   1.786
   65   HG12  ILE  10          HG12      ILE  10   8.800   4.875   0.095
   66   HG13  ILE  10          HG11      ILE  10  10.112   3.793   0.555
   67   HG21  ILE  10          HG21      ILE  10   8.941   7.074   1.740
   68   HG22  ILE  10          HG22      ILE  10   9.253   7.377   0.031
   69   HG23  ILE  10          HG23      ILE  10  10.364   7.994   1.255
   70   HD11  ILE  10          HD11      ILE  10   9.658   4.100   2.893
   71   HD12  ILE  10          HD12      ILE  10   8.116   3.754   2.110
   72   HD13  ILE  10          HD13      ILE  10   8.525   5.410   2.558
   73    H    GLU  11           HN       GLU  11  13.781   6.181   0.587
   74    HA   GLU  11           HA       GLU  11  13.815   9.101   0.355
   75    HB2  GLU  11           HB2      GLU  11  15.679   7.066   1.580
   76    HB3  GLU  11           HB1      GLU  11  16.038   8.794   1.535
   77    HG2  GLU  11           HG2      GLU  11  13.971   9.274   2.758
   78    HG3  GLU  11           HG1      GLU  11  13.566   7.560   2.772
   79    H    GLY  12           HN       GLY  12  15.780   6.343  -0.802
   80    HA2  GLY  12           HA2      GLY  12  17.115   8.153  -2.745
   81    HA3  GLY  12           HA1      GLY  12  17.824   6.690  -2.078
   82    H    GLY  13           HN       GLY  13  14.460   6.752  -3.104
   83    HA2  GLY  13           HA2      GLY  13  13.391   5.429  -4.690
   84    HA3  GLY  13           HA1      GLY  13  14.573   6.167  -5.765
   85    H    TRP  14           HN       TRP  14  14.838   4.365  -7.053
   86    HA   TRP  14           HA       TRP  14  15.163   1.729  -6.321
   87    HB2  TRP  14           HB2      TRP  14  14.997   2.505  -8.649
   88    HB3  TRP  14           HB1      TRP  14  16.616   3.193  -8.534
   89    HD1  TRP  14           HD1      TRP  14  18.642   1.432  -8.064
   90    HE1  TRP  14           HE1      TRP  14  18.899  -1.023  -8.797
   91    HE3  TRP  14           HE3      TRP  14  13.786   0.348  -9.190
   92    HZ2  TRP  14           HZ2      TRP  14  17.253  -3.169  -9.754
   93    HZ3  TRP  14           HZ3      TRP  14  13.155  -1.904 -10.010
   94    HH2  TRP  14           HH2      TRP  14  14.881  -3.663 -10.293
   95    H    THR  15           HN       THR  15  17.890   3.964  -6.991
   96    HA   THR  15           HA       THR  15  19.975   2.357  -6.164
   97    HB   THR  15           HB       THR  15  19.812   5.331  -5.644
   98    HG1  THR  15           HG1      THR  15  19.329   5.261  -7.721
   99   HG21  THR  15          HG21      THR  15  21.785   4.187  -4.744
  100   HG22  THR  15          HG22      THR  15  22.237   5.202  -6.113
  101   HG23  THR  15          HG23      THR  15  22.093   3.455  -6.318
  102    H    GLY  16           HN       GLY  16  17.712   4.184  -4.222
  103    HA2  GLY  16           HA2      GLY  16  19.119   4.001  -1.759
  104    HA3  GLY  16           HA1      GLY  16  17.413   4.362  -1.963
  105    H    MET  17           HN       MET  17  16.707   1.995  -3.371
  106    HA   MET  17           HA       MET  17  16.056   0.276  -1.264
  107    HB2  MET  17           HB2      MET  17  14.940   0.387  -3.523
  108    HB3  MET  17           HB1      MET  17  16.294  -0.528  -4.165
  109    HG2  MET  17           HG2      MET  17  15.825  -2.339  -2.533
  110    HG3  MET  17           HG1      MET  17  14.445  -1.421  -1.931
  111    HE1  MET  17           HE1      MET  17  15.036  -3.551  -5.902
  112    HE2  MET  17           HE2      MET  17  16.245  -2.900  -4.799
  113    HE3  MET  17           HE3      MET  17  15.467  -1.837  -5.968
  114    H    ILE  18           HN       ILE  18  18.612   0.027  -3.724
  115    HA   ILE  18           HA       ILE  18  19.643  -2.467  -2.871
  116    HB   ILE  18           HB       ILE  18  21.070  -0.184  -4.256
  117   HG12  ILE  18          HG12      ILE  18  19.821  -2.683  -5.433
  118   HG13  ILE  18          HG11      ILE  18  18.979  -1.136  -5.353
  119   HG21  ILE  18          HG21      ILE  18  22.529  -2.091  -5.078
  120   HG22  ILE  18          HG22      ILE  18  21.747  -3.114  -3.874
  121   HG23  ILE  18          HG23      ILE  18  22.703  -1.724  -3.363
  122   HD11  ILE  18          HD11      ILE  18  20.654  -0.076  -6.731
  123   HD12  ILE  18          HD12      ILE  18  20.145  -1.557  -7.544
  124   HD13  ILE  18          HD13      ILE  18  21.678  -1.511  -6.674
  125    H    ASP  19           HN       ASP  19  20.677   0.866  -2.096
  126    HA   ASP  19           HA       ASP  19  22.828   0.246  -0.438
  127    HB2  ASP  19           HB2      ASP  19  22.144   2.531  -1.249
  128    HB3  ASP  19           HB1      ASP  19  20.895   2.527  -0.007
  129    H    GLY  20           HN       GLY  20  19.379   0.624   0.402
  130    HA2  GLY  20           HA2      GLY  20  19.708   0.198   3.184
  131    HA3  GLY  20           HA1      GLY  20  18.202   0.036   2.282
  132    H    TRP  21           HN       TRP  21  19.207  -1.985   0.457
  133    HA   TRP  21           HA       TRP  21  18.583  -4.320   1.927
  134    HB2  TRP  21           HB2      TRP  21  18.231  -4.164  -0.494
  135    HB3  TRP  21           HB1      TRP  21  19.969  -4.024  -0.752
  136    HD1  TRP  21           HD1      TRP  21  21.329  -6.193  -0.904
  137    HE1  TRP  21           HE1      TRP  21  20.791  -8.698  -0.619
  138    HE3  TRP  21           HE3      TRP  21  16.586  -5.868   0.952
  139    HZ2  TRP  21           HZ2      TRP  21  18.634 -10.346   0.282
  140    HZ3  TRP  21           HZ3      TRP  21  15.315  -7.917   1.516
  141    HH2  TRP  21           HH2      TRP  21  16.330 -10.154   1.184
  142    H    TYR  22           HN       TYR  22  21.699  -3.077   0.702
  143    HA   TYR  22           HA       TYR  22  23.203  -5.215   1.937
  144    HB2  TYR  22           HB2      TYR  22  23.928  -2.678   0.467
  145    HB3  TYR  22           HB1      TYR  22  25.166  -3.629   1.286
  146    HD1  TYR  22           HD1      TYR  22  25.386  -6.096   0.721
  147    HD2  TYR  22           HD2      TYR  22  23.101  -3.360  -1.674
  148    HE1  TYR  22           HE1      TYR  22  25.472  -7.687  -1.177
  149    HE2  TYR  22           HE2      TYR  22  23.190  -4.954  -3.574
  150    HH   TYR  22           HH       TYR  22  24.496  -8.190  -3.196
  151    H    GLY  23           HN       GLY  23  22.318  -1.917   2.754
  152    HA2  GLY  23           HA2      GLY  23  22.357  -0.844   4.799
  153    HA3  GLY  23           HA1      GLY  23  22.942  -2.340   5.519
  154    H    SER  24           HN       SER  24  25.194  -2.769   5.538
  155    HA   SER  24           HA       SER  24  26.851  -0.586   6.077
  156    HB2  SER  24           HB2      SER  24  27.643  -3.380   5.229
  157    HB3  SER  24           HB1      SER  24  28.709  -2.202   5.988
  158    HG   SER  24           HG       SER  24  26.287  -2.683   7.253
  Start of MODEL    2
    1    H1   GLY   1           HT1      GLY   1  18.648  -3.287   5.214
    2    H2   GLY   1           HT2      GLY   1  19.423  -4.123   6.474
    3    H3   GLY   1           HT3      GLY   1  17.826  -3.580   6.669
    4    HA2  GLY   1           HA2      GLY   1  18.732  -5.664   4.755
    5    HA3  GLY   1           HA1      GLY   1  17.841  -5.952   6.253
    6    H    LEU   2           HN       LEU   2  15.787  -6.385   5.852
    7    HA   LEU   2           HA       LEU   2  14.471  -5.769   3.427
    8    HB2  LEU   2           HB2      LEU   2  13.811  -7.650   4.897
    9    HB3  LEU   2           HB1      LEU   2  13.255  -6.496   6.105
   10    HG   LEU   2           HG       LEU   2  11.628  -5.580   4.441
   11   HD11  LEU   2          HD11      LEU   2  12.909  -7.670   2.693
   12   HD12  LEU   2          HD12      LEU   2  12.430  -6.019   2.297
   13   HD13  LEU   2          HD13      LEU   2  11.206  -7.272   2.456
   14   HD21  LEU   2          HD21      LEU   2  11.372  -8.576   4.840
   15   HD22  LEU   2          HD22      LEU   2  10.055  -7.424   4.612
   16   HD23  LEU   2          HD23      LEU   2  11.030  -7.370   6.081
   17    H    PHE   3           HN       PHE   3  14.091  -4.387   6.693
   18    HA   PHE   3           HA       PHE   3  12.221  -2.413   5.909
   19    HB2  PHE   3           HB2      PHE   3  14.073  -2.629   8.295
   20    HB3  PHE   3           HB1      PHE   3  12.914  -1.317   8.103
   21    HD1  PHE   3           HD1      PHE   3  10.445  -2.129   7.428
   22    HD2  PHE   3           HD2      PHE   3  13.347  -4.527   9.516
   23    HE1  PHE   3           HE1      PHE   3   8.632  -3.568   8.309
   24    HE2  PHE   3           HE2      PHE   3  11.524  -5.963  10.391
   25    HZ   PHE   3           HZ       PHE   3   9.168  -5.484   9.787
   26    H    GLY   4           HN       GLY   4  15.739  -2.312   6.360
   27    HA2  GLY   4           HA2      GLY   4  16.137   0.400   5.891
   28    HA3  GLY   4           HA1      GLY   4  17.314  -0.859   5.531
   29    H    ALA   5           HN       ALA   5  15.545  -2.231   3.641
   30    HA   ALA   5           HA       ALA   5  16.233  -0.796   1.261
   31    HB1  ALA   5           HB1      ALA   5  14.440  -3.207   1.646
   32    HB2  ALA   5           HB2      ALA   5  16.176  -3.251   1.331
   33    HB3  ALA   5           HB3      ALA   5  15.071  -2.631   0.103
   34    H    ILE   6           HN       ILE   6  13.147  -1.516   2.897
   35    HA   ILE   6           HA       ILE   6  11.475  -0.239   1.031
   36    HB   ILE   6           HB       ILE   6  11.093  -0.604   4.014
   37   HG12  ILE   6          HG12      ILE   6   9.993  -2.240   1.710
   38   HG13  ILE   6          HG11      ILE   6  11.473  -2.668   2.570
   39   HG21  ILE   6          HG21      ILE   6   8.640  -0.446   3.352
   40   HG22  ILE   6          HG22      ILE   6   9.182   0.166   1.791
   41   HG23  ILE   6          HG23      ILE   6   9.536   1.069   3.263
   42   HD11  ILE   6          HD11      ILE   6   9.588  -3.881   3.544
   43   HD12  ILE   6          HD12      ILE   6   8.716  -2.371   3.795
   44   HD13  ILE   6          HD13      ILE   6  10.191  -2.699   4.704
   45    H    ALA   7           HN       ALA   7  12.816   1.017   4.104
   46    HA   ALA   7           HA       ALA   7  11.810   3.660   3.774
   47    HB1  ALA   7           HB1      ALA   7  13.425   4.232   5.554
   48    HB2  ALA   7           HB2      ALA   7  14.164   2.640   5.386
   49    HB3  ALA   7           HB3      ALA   7  12.500   2.785   5.954
   50    H    GLY   8           HN       GLY   8  14.929   2.133   3.013
   51    HA2  GLY   8           HA2      GLY   8  16.245   4.484   2.156
   52    HA3  GLY   8           HA1      GLY   8  16.685   2.836   1.701
   53    H    PHE   9           HN       PHE   9  14.112   2.189   0.553
   54    HA   PHE   9           HA       PHE   9  14.555   3.028  -2.100
   55    HB2  PHE   9           HB2      PHE   9  13.464   0.942  -1.780
   56    HB3  PHE   9           HB1      PHE   9  12.252   1.654  -0.724
   57    HD1  PHE   9           HD2      PHE   9  13.612   2.228  -4.185
   58    HD2  PHE   9           HD1      PHE   9  10.122   1.987  -1.688
   59    HE1  PHE   9           HE2      PHE   9  12.176   2.691  -6.147
   60    HE2  PHE   9           HE1      PHE   9   8.686   2.458  -3.657
   61    HZ   PHE   9           HZ       PHE   9   9.716   2.810  -5.884
   62    H    ILE  10           HN       ILE  10  12.174   4.009   0.325
   63    HA   ILE  10           HA       ILE  10  10.796   5.835  -1.368
   64    HB   ILE  10           HB       ILE  10  10.993   5.742   1.638
   65   HG12  ILE  10          HG12      ILE  10   8.768   4.713  -0.151
   66   HG13  ILE  10          HG11      ILE  10  10.104   3.684   0.363
   67   HG21  ILE  10          HG21      ILE  10   9.106   7.181  -0.254
   68   HG22  ILE  10          HG22      ILE  10  10.174   7.912   0.947
   69   HG23  ILE  10          HG23      ILE  10   8.787   6.960   1.466
   70   HD11  ILE  10          HD11      ILE  10   8.151   3.487   1.876
   71   HD12  ILE  10          HD12      ILE  10   8.281   5.209   2.234
   72   HD13  ILE  10          HD13      ILE  10   9.577   4.112   2.708
   73    H    GLU  11           HN       GLU  11  13.709   6.092   0.579
   74    HA   GLU  11           HA       GLU  11  13.743   9.007   0.431
   75    HB2  GLU  11           HB2      GLU  11  15.430   6.867   1.717
   76    HB3  GLU  11           HB1      GLU  11  16.074   8.499   1.559
   77    HG2  GLU  11           HG2      GLU  11  14.974   8.205   3.731
   78    HG3  GLU  11           HG1      GLU  11  14.114   9.393   2.758
   79    H    GLY  12           HN       GLY  12  15.716   6.300  -0.823
   80    HA2  GLY  12           HA2      GLY  12  17.022   8.188  -2.717
   81    HA3  GLY  12           HA1      GLY  12  17.777   6.741  -2.063
   82    H    GLY  13           HN       GLY  13  14.420   6.738  -3.120
   83    HA2  GLY  13           HA2      GLY  13  13.398   5.409  -4.729
   84    HA3  GLY  13           HA1      GLY  13  14.592   6.153  -5.782
   85    H    TRP  14           HN       TRP  14  14.911   4.358  -7.058
   86    HA   TRP  14           HA       TRP  14  15.262   1.725  -6.310
   87    HB2  TRP  14           HB2      TRP  14  15.112   2.470  -8.643
   88    HB3  TRP  14           HB1      TRP  14  16.704   3.219  -8.509
   89    HD1  TRP  14           HD1      TRP  14  18.805   1.580  -8.152
   90    HE1  TRP  14           HE1      TRP  14  19.156  -0.879  -8.814
   91    HE3  TRP  14           HE3      TRP  14  13.966   0.205  -8.992
   92    HZ2  TRP  14           HZ2      TRP  14  17.587  -3.142  -9.617
   93    HZ3  TRP  14           HZ3      TRP  14  13.419  -2.105  -9.704
   94    HH2  TRP  14           HH2      TRP  14  15.222  -3.779 -10.017
   95    H    THR  15           HN       THR  15  17.955   4.022  -6.933
   96    HA   THR  15           HA       THR  15  20.059   2.456  -6.091
   97    HB   THR  15           HB       THR  15  19.823   5.420  -5.542
   98    HG1  THR  15           HG1      THR  15  19.214   5.033  -7.664
   99   HG21  THR  15          HG21      THR  15  22.162   3.629  -6.252
  100   HG22  THR  15          HG22      THR  15  21.816   4.273  -4.647
  101   HG23  THR  15          HG23      THR  15  22.246   5.367  -5.962
  102    H    GLY  16           HN       GLY  16  17.751   4.250  -4.164
  103    HA2  GLY  16           HA2      GLY  16  19.125   4.047  -1.683
  104    HA3  GLY  16           HA1      GLY  16  17.420   4.407  -1.909
  105    H    MET  17           HN       MET  17  16.744   2.052  -3.358
  106    HA   MET  17           HA       MET  17  16.064   0.303  -1.281
  107    HB2  MET  17           HB2      MET  17  14.959   0.416  -3.534
  108    HB3  MET  17           HB1      MET  17  16.349  -0.429  -4.200
  109    HG2  MET  17           HG2      MET  17  15.930  -2.303  -2.591
  110    HG3  MET  17           HG1      MET  17  14.479  -1.465  -2.044
  111    HE1  MET  17           HE1      MET  17  15.676  -4.208  -4.584
  112    HE2  MET  17           HE2      MET  17  16.505  -2.683  -4.894
  113    HE3  MET  17           HE3      MET  17  15.394  -3.335  -6.096
  114    H    ILE  18           HN       ILE  18  18.661   0.084  -3.707
  115    HA   ILE  18           HA       ILE  18  19.685  -2.410  -2.863
  116    HB   ILE  18           HB       ILE  18  21.126  -0.103  -4.187
  117   HG12  ILE  18          HG12      ILE  18  19.921  -2.593  -5.428
  118   HG13  ILE  18          HG11      ILE  18  19.059  -1.056  -5.335
  119   HG21  ILE  18          HG21      ILE  18  21.822  -3.034  -3.841
  120   HG22  ILE  18          HG22      ILE  18  22.756  -1.642  -3.292
  121   HG23  ILE  18          HG23      ILE  18  22.614  -1.983  -5.014
  122   HD11  ILE  18          HD11      ILE  18  20.249  -1.391  -7.506
  123   HD12  ILE  18          HD12      ILE  18  21.774  -1.406  -6.627
  124   HD13  ILE  18          HD13      ILE  18  20.779   0.050  -6.640
  125    H    ASP  19           HN       ASP  19  20.730   0.906  -2.045
  126    HA   ASP  19           HA       ASP  19  22.844   0.281  -0.356
  127    HB2  ASP  19           HB2      ASP  19  22.154   2.572  -1.126
  128    HB3  ASP  19           HB1      ASP  19  20.878   2.528   0.089
  129    H    GLY  20           HN       GLY  20  19.374   0.520   0.419
  130    HA2  GLY  20           HA2      GLY  20  19.716   0.031   3.209
  131    HA3  GLY  20           HA1      GLY  20  18.207  -0.071   2.314
  132    H    TRP  21           HN       TRP  21  19.198  -2.032   0.394
  133    HA   TRP  21           HA       TRP  21  18.563  -4.413   1.805
  134    HB2  TRP  21           HB2      TRP  21  18.107  -4.132  -0.596
  135    HB3  TRP  21           HB1      TRP  21  19.840  -4.064  -0.920
  136    HD1  TRP  21           HD1      TRP  21  21.167  -6.293  -0.981
  137    HE1  TRP  21           HE1      TRP  21  20.493  -8.776  -0.831
  138    HE3  TRP  21           HE3      TRP  21  16.328  -5.800   0.572
  139    HZ2  TRP  21           HZ2      TRP  21  18.203 -10.346  -0.141
  140    HZ3  TRP  21           HZ3      TRP  21  14.924  -7.804   0.967
  141    HH2  TRP  21           HH2      TRP  21  15.855 -10.074   0.613
  142    H    TYR  22           HN       TYR  22  21.613  -3.074   0.585
  143    HA   TYR  22           HA       TYR  22  23.206  -5.291   1.492
  144    HB2  TYR  22           HB2      TYR  22  23.739  -2.584   0.301
  145    HB3  TYR  22           HB1      TYR  22  25.071  -3.402   1.118
  146    HD1  TYR  22           HD2      TYR  22  22.469  -3.861  -1.526
  147    HD2  TYR  22           HD1      TYR  22  26.260  -5.150   0.030
  148    HE1  TYR  22           HE2      TYR  22  22.804  -5.288  -3.523
  149    HE2  TYR  22           HE1      TYR  22  26.593  -6.577  -1.970
  150    HH   TYR  22           HH       TYR  22  25.611  -6.429  -4.509
  151    H    GLY  23           HN       GLY  23  21.995  -2.375   2.929
  152    HA2  GLY  23           HA2      GLY  23  23.869  -1.993   4.974
  153    HA3  GLY  23           HA1      GLY  23  22.171  -1.539   5.065
  154    H    SER  24           HN       SER  24  24.407  -4.258   5.482
  155    HA   SER  24           HA       SER  24  22.606  -6.081   6.630
  156    HB2  SER  24           HB2      SER  24  24.893  -6.665   5.860
  157    HB3  SER  24           HB1      SER  24  25.561  -5.772   7.222
  158    HG   SER  24           HG       SER  24  24.597  -7.211   8.612
  Start of MODEL    3
    1    H1   GLY   1           HT1      GLY   1  18.558  -3.254   5.344
    2    H2   GLY   1           HT2      GLY   1  19.434  -4.117   6.515
    3    H3   GLY   1           HT3      GLY   1  17.825  -3.662   6.818
    4    HA2  GLY   1           HA2      GLY   1  18.772  -5.639   4.815
    5    HA3  GLY   1           HA1      GLY   1  17.847  -5.979   6.282
    6    H    LEU   2           HN       LEU   2  15.771  -6.369   5.866
    7    HA   LEU   2           HA       LEU   2  14.533  -5.710   3.399
    8    HB2  LEU   2           HB2      LEU   2  13.910  -7.640   4.927
    9    HB3  LEU   2           HB1      LEU   2  13.135  -6.457   5.974
   10    HG   LEU   2           HG       LEU   2  11.796  -5.709   3.913
   11   HD11  LEU   2          HD11      LEU   2  12.908  -6.644   2.054
   12   HD12  LEU   2          HD12      LEU   2  11.522  -7.706   2.258
   13   HD13  LEU   2          HD13      LEU   2  13.107  -8.212   2.834
   14   HD21  LEU   2          HD21      LEU   2  11.456  -8.486   5.084
   15   HD22  LEU   2          HD22      LEU   2  10.216  -7.661   4.140
   16   HD23  LEU   2          HD23      LEU   2  10.745  -6.987   5.680
   17    H    PHE   3           HN       PHE   3  14.108  -4.423   6.694
   18    HA   PHE   3           HA       PHE   3  12.200  -2.457   5.983
   19    HB2  PHE   3           HB2      PHE   3  14.128  -2.165   8.292
   20    HB3  PHE   3           HB1      PHE   3  12.448  -1.635   8.187
   21    HD1  PHE   3           HD2      PHE   3  10.788  -3.700   7.492
   22    HD2  PHE   3           HD1      PHE   3  14.482  -4.052   9.667
   23    HE1  PHE   3           HE2      PHE   3  10.020  -5.851   8.452
   24    HE2  PHE   3           HE1      PHE   3  13.709  -6.205  10.623
   25    HZ   PHE   3           HZ       PHE   3  11.479  -7.104  10.018
   26    H    GLY   4           HN       GLY   4  15.724  -2.279   6.410
   27    HA2  GLY   4           HA2      GLY   4  16.039   0.457   5.937
   28    HA3  GLY   4           HA1      GLY   4  17.263  -0.768   5.612
   29    H    ALA   5           HN       ALA   5  15.567  -2.213   3.709
   30    HA   ALA   5           HA       ALA   5  16.286  -0.834   1.312
   31    HB1  ALA   5           HB1      ALA   5  14.431  -3.200   1.690
   32    HB2  ALA   5           HB2      ALA   5  16.184  -3.307   1.517
   33    HB3  ALA   5           HB3      ALA   5  15.201  -2.705   0.185
   34    H    ILE   6           HN       ILE   6  13.155  -1.524   2.876
   35    HA   ILE   6           HA       ILE   6  11.540  -0.259   0.948
   36    HB   ILE   6           HB       ILE   6  11.041  -0.589   3.916
   37   HG12  ILE   6          HG12      ILE   6  10.060  -2.324   1.628
   38   HG13  ILE   6          HG11      ILE   6  11.542  -2.680   2.515
   39   HG21  ILE   6          HG21      ILE   6   8.624  -0.509   3.133
   40   HG22  ILE   6          HG22      ILE   6   9.228   0.061   1.577
   41   HG23  ILE   6          HG23      ILE   6   9.491   1.024   3.031
   42   HD11  ILE   6          HD11      ILE   6   8.848  -2.302   3.847
   43   HD12  ILE   6          HD12      ILE   6  10.334  -2.888   4.594
   44   HD13  ILE   6          HD13      ILE   6   9.501  -3.876   3.395
   45    H    ALA   7           HN       ALA   7  12.779   0.995   4.064
   46    HA   ALA   7           HA       ALA   7  11.736   3.610   3.732
   47    HB1  ALA   7           HB1      ALA   7  13.324   4.216   5.528
   48    HB2  ALA   7           HB2      ALA   7  14.085   2.632   5.372
   49    HB3  ALA   7           HB3      ALA   7  12.413   2.758   5.916
   50    H    GLY   8           HN       GLY   8  14.883   2.146   2.975
   51    HA2  GLY   8           HA2      GLY   8  16.192   4.514   2.167
   52    HA3  GLY   8           HA1      GLY   8  16.634   2.876   1.679
   53    H    PHE   9           HN       PHE   9  14.089   2.238   0.493
   54    HA   PHE   9           HA       PHE   9  14.537   3.164  -2.128
   55    HB2  PHE   9           HB2      PHE   9  13.474   1.045  -1.857
   56    HB3  PHE   9           HB1      PHE   9  12.217   1.734  -0.835
   57    HD1  PHE   9           HD2      PHE   9  13.687   2.153  -4.269
   58    HD2  PHE   9           HD1      PHE   9  10.149   2.276  -1.835
   59    HE1  PHE   9           HE2      PHE   9  12.318   2.613  -6.283
   60    HE2  PHE   9           HE1      PHE   9   8.781   2.741  -3.849
   61    HZ   PHE   9           HZ       PHE   9   9.865   2.910  -6.073
   62    H    ILE  10           HN       ILE  10  12.151   4.043   0.327
   63    HA   ILE  10           HA       ILE  10  10.704   5.869  -1.281
   64    HB   ILE  10           HB       ILE  10  11.043   5.741   1.719
   65   HG12  ILE  10          HG12      ILE  10   8.739   4.781  -0.011
   66   HG13  ILE  10          HG11      ILE  10  10.070   3.726   0.465
   67   HG21  ILE  10          HG21      ILE  10  10.223   7.926   1.183
   68   HG22  ILE  10          HG22      ILE  10   8.809   6.975   1.636
   69   HG23  ILE  10          HG23      ILE  10   9.150   7.293  -0.065
   70   HD11  ILE  10          HD11      ILE  10   8.445   5.300   2.472
   71   HD12  ILE  10          HD12      ILE  10   9.566   3.976   2.786
   72   HD13  ILE  10          HD13      ILE  10   8.029   3.658   1.982
   73    H    GLU  11           HN       GLU  11  13.677   6.183   0.574
   74    HA   GLU  11           HA       GLU  11  13.685   9.097   0.340
   75    HB2  GLU  11           HB2      GLU  11  15.561   7.096   1.616
   76    HB3  GLU  11           HB1      GLU  11  15.858   8.833   1.605
   77    HG2  GLU  11           HG2      GLU  11  13.310   7.602   2.674
   78    HG3  GLU  11           HG1      GLU  11  14.709   7.950   3.690
   79    H    GLY  12           HN       GLY  12  15.693   6.363  -0.767
   80    HA2  GLY  12           HA2      GLY  12  17.074   8.190  -2.657
   81    HA3  GLY  12           HA1      GLY  12  17.763   6.722  -1.976
   82    H    GLY  13           HN       GLY  13  14.447   6.791  -3.104
   83    HA2  GLY  13           HA2      GLY  13  13.420   5.470  -4.714
   84    HA3  GLY  13           HA1      GLY  13  14.614   6.220  -5.764
   85    H    TRP  14           HN       TRP  14  14.940   4.429  -7.058
   86    HA   TRP  14           HA       TRP  14  15.263   1.793  -6.330
   87    HB2  TRP  14           HB2      TRP  14  15.138   2.563  -8.655
   88    HB3  TRP  14           HB1      TRP  14  16.737   3.295  -8.502
   89    HD1  TRP  14           HD1      TRP  14  18.802   1.602  -8.032
   90    HE1  TRP  14           HE1      TRP  14  19.138  -0.842  -8.756
   91    HE3  TRP  14           HE3      TRP  14  13.989   0.364  -9.177
   92    HZ2  TRP  14           HZ2      TRP  14  17.569  -3.044  -9.709
   93    HZ3  TRP  14           HZ3      TRP  14  13.433  -1.911  -9.990
   94    HH2  TRP  14           HH2      TRP  14  15.216  -3.614 -10.257
   95    H    THR  15           HN       THR  15  17.968   4.078  -6.893
   96    HA   THR  15           HA       THR  15  20.068   2.495  -6.057
   97    HB   THR  15           HB       THR  15  19.803   5.452  -5.479
   98    HG1  THR  15           HG1      THR  15  19.305   5.075  -7.624
   99   HG21  THR  15          HG21      THR  15  22.170   3.638  -6.023
  100   HG22  THR  15          HG22      THR  15  21.763   4.386  -4.477
  101   HG23  THR  15          HG23      THR  15  22.262   5.390  -5.839
  102    H    GLY  16           HN       GLY  16  17.707   4.198  -4.128
  103    HA2  GLY  16           HA2      GLY  16  19.053   3.975  -1.629
  104    HA3  GLY  16           HA1      GLY  16  17.346   4.315  -1.874
  105    H    MET  17           HN       MET  17  16.722   1.971  -3.376
  106    HA   MET  17           HA       MET  17  16.047   0.171  -1.343
  107    HB2  MET  17           HB2      MET  17  14.916   0.277  -3.555
  108    HB3  MET  17           HB1      MET  17  16.348  -0.419  -4.303
  109    HG2  MET  17           HG2      MET  17  15.027  -1.855  -2.002
  110    HG3  MET  17           HG1      MET  17  14.364  -2.004  -3.628
  111    HE1  MET  17           HE1      MET  17  15.247  -4.002  -5.230
  112    HE2  MET  17           HE2      MET  17  16.896  -3.662  -5.747
  113    HE3  MET  17           HE3      MET  17  15.730  -2.346  -5.628
  114    H    ILE  18           HN       ILE  18  18.655  -0.001  -3.767
  115    HA   ILE  18           HA       ILE  18  19.699  -2.487  -2.927
  116    HB   ILE  18           HB       ILE  18  21.115  -0.170  -4.267
  117   HG12  ILE  18          HG12      ILE  18  19.928  -2.682  -5.483
  118   HG13  ILE  18          HG11      ILE  18  19.061  -1.148  -5.408
  119   HG21  ILE  18          HG21      ILE  18  22.767  -1.673  -3.369
  120   HG22  ILE  18          HG22      ILE  18  22.618  -2.052  -5.084
  121   HG23  ILE  18          HG23      ILE  18  21.844  -3.085  -3.884
  122   HD11  ILE  18          HD11      ILE  18  21.796  -1.447  -6.671
  123   HD12  ILE  18          HD12      ILE  18  20.721  -0.055  -6.764
  124   HD13  ILE  18          HD13      ILE  18  20.291  -1.558  -7.579
  125    H    ASP  19           HN       ASP  19  20.808   0.819  -2.169
  126    HA   ASP  19           HA       ASP  19  22.905   0.210  -0.473
  127    HB2  ASP  19           HB2      ASP  19  20.925   2.471  -0.152
  128    HB3  ASP  19           HB1      ASP  19  22.545   2.408   0.536
  129    H    GLY  20           HN       GLY  20  19.448   0.511   0.353
  130    HA2  GLY  20           HA2      GLY  20  19.822   0.033   3.136
  131    HA3  GLY  20           HA1      GLY  20  18.298  -0.068   2.262
  132    H    TRP  21           HN       TRP  21  19.290  -2.061   0.355
  133    HA   TRP  21           HA       TRP  21  18.603  -4.422   1.756
  134    HB2  TRP  21           HB2      TRP  21  18.324  -4.087  -0.702
  135    HB3  TRP  21           HB1      TRP  21  20.076  -4.190  -0.881
  136    HD1  TRP  21           HD1      TRP  21  21.191  -6.533  -0.761
  137    HE1  TRP  21           HE1      TRP  21  20.269  -8.938  -0.628
  138    HE3  TRP  21           HE3      TRP  21  16.298  -5.545   0.310
  139    HZ2  TRP  21           HZ2      TRP  21  17.785 -10.266  -0.132
  140    HZ3  TRP  21           HZ3      TRP  21  14.675  -7.395   0.607
  141    HH2  TRP  21           HH2      TRP  21  15.413  -9.753   0.388
  142    H    TYR  22           HN       TYR  22  21.747  -3.277   0.509
  143    HA   TYR  22           HA       TYR  22  23.200  -5.455   1.713
  144    HB2  TYR  22           HB2      TYR  22  23.987  -2.899   0.304
  145    HB3  TYR  22           HB1      TYR  22  25.201  -3.901   1.099
  146    HD1  TYR  22           HD1      TYR  22  25.614  -6.219   0.356
  147    HD2  TYR  22           HD2      TYR  22  22.890  -3.641  -1.738
  148    HE1  TYR  22           HE1      TYR  22  25.657  -7.757  -1.588
  149    HE2  TYR  22           HE2      TYR  22  22.934  -5.181  -3.685
  150    HH   TYR  22           HH       TYR  22  24.375  -8.323  -3.507
  151    H    GLY  23           HN       GLY  23  22.252  -2.236   2.675
  152    HA2  GLY  23           HA2      GLY  23  24.081  -1.663   4.676
  153    HA3  GLY  23           HA1      GLY  23  22.394  -1.166   4.711
  154    H    SER  24           HN       SER  24  24.443  -2.385   6.707
  155    HA   SER  24           HA       SER  24  23.596  -4.902   7.551
  156    HB2  SER  24           HB2      SER  24  24.694  -4.438   9.597
  157    HB3  SER  24           HB1      SER  24  25.568  -3.491   8.395
  158    HG   SER  24           HG       SER  24  23.582  -2.623  10.224
  Start of MODEL    4
    1    H1   GLY   1           HT1      GLY   1  18.610  -3.346   5.380
    2    H2   GLY   1           HT2      GLY   1  19.162  -4.256   4.056
    3    H3   GLY   1           HT3      GLY   1  19.875  -4.457   5.585
    4    HA2  GLY   1           HA2      GLY   1  18.370  -6.294   5.069
    5    HA3  GLY   1           HA1      GLY   1  17.817  -5.360   6.466
    6    H    LEU   2           HN       LEU   2  15.806  -6.586   5.608
    7    HA   LEU   2           HA       LEU   2  14.505  -5.767   3.276
    8    HB2  LEU   2           HB2      LEU   2  13.890  -7.745   4.706
    9    HB3  LEU   2           HB1      LEU   2  13.188  -6.616   5.862
   10    HG   LEU   2           HG       LEU   2  11.776  -5.714   3.885
   11   HD11  LEU   2          HD11      LEU   2  11.389  -7.575   2.140
   12   HD12  LEU   2          HD12      LEU   2  12.935  -8.230   2.662
   13   HD13  LEU   2          HD13      LEU   2  12.849  -6.612   1.970
   14   HD21  LEU   2          HD21      LEU   2  10.732  -7.007   5.621
   15   HD22  LEU   2          HD22      LEU   2  11.402  -8.510   4.976
   16   HD23  LEU   2          HD23      LEU   2  10.163  -7.638   4.072
   17    H    PHE   3           HN       PHE   3  14.102  -4.594   6.617
   18    HA   PHE   3           HA       PHE   3  12.185  -2.629   5.975
   19    HB2  PHE   3           HB2      PHE   3  12.990  -3.632   8.301
   20    HB3  PHE   3           HB1      PHE   3  14.094  -2.259   8.283
   21    HD1  PHE   3           HD2      PHE   3  10.515  -3.251   8.114
   22    HD2  PHE   3           HD1      PHE   3  13.303  -0.030   8.674
   23    HE1  PHE   3           HE2      PHE   3   8.661  -1.769   8.839
   24    HE2  PHE   3           HE1      PHE   3  11.452   1.452   9.392
   25    HZ   PHE   3           HZ       PHE   3   9.131   0.582   9.478
   26    H    GLY   4           HN       GLY   4  15.714  -2.438   6.346
   27    HA2  GLY   4           HA2      GLY   4  16.000   0.317   5.981
   28    HA3  GLY   4           HA1      GLY   4  17.227  -0.886   5.592
   29    H    ALA   5           HN       ALA   5  15.570  -2.286   3.652
   30    HA   ALA   5           HA       ALA   5  16.236  -0.814   1.312
   31    HB1  ALA   5           HB1      ALA   5  15.227  -2.627   0.102
   32    HB2  ALA   5           HB2      ALA   5  14.310  -3.140   1.519
   33    HB3  ALA   5           HB3      ALA   5  16.065  -3.323   1.489
   34    H    ILE   6           HN       ILE   6  13.144  -1.461   2.952
   35    HA   ILE   6           HA       ILE   6  11.474  -0.183   1.084
   36    HB   ILE   6           HB       ILE   6  11.125  -0.455   4.078
   37   HG12  ILE   6          HG12      ILE   6   9.997  -2.166   1.840
   38   HG13  ILE   6          HG11      ILE   6  11.471  -2.579   2.715
   39   HG21  ILE   6          HG21      ILE   6   9.576   1.199   3.274
   40   HG22  ILE   6          HG22      ILE   6   8.666  -0.301   3.424
   41   HG23  ILE   6          HG23      ILE   6   9.208   0.246   1.839
   42   HD11  ILE   6          HD11      ILE   6   8.683  -2.281   3.859
   43   HD12  ILE   6          HD12      ILE   6  10.125  -2.430   4.860
   44   HD13  ILE   6          HD13      ILE   6   9.656  -3.748   3.789
   45    H    ALA   7           HN       ALA   7  12.878   1.095   4.120
   46    HA   ALA   7           HA       ALA   7  11.900   3.732   3.784
   47    HB1  ALA   7           HB1      ALA   7  14.384   2.870   5.286
   48    HB2  ALA   7           HB2      ALA   7  12.748   2.748   5.930
   49    HB3  ALA   7           HB3      ALA   7  13.430   4.329   5.552
   50    H    GLY   8           HN       GLY   8  14.970   2.171   2.889
   51    HA2  GLY   8           HA2      GLY   8  16.301   4.485   1.979
   52    HA3  GLY   8           HA1      GLY   8  16.661   2.832   1.482
   53    H    PHE   9           HN       PHE   9  14.033   2.270   0.433
   54    HA   PHE   9           HA       PHE   9  14.366   3.168  -2.207
   55    HB2  PHE   9           HB2      PHE   9  13.248   1.087  -1.845
   56    HB3  PHE   9           HB1      PHE   9  12.061   1.846  -0.784
   57    HD1  PHE   9           HD2      PHE   9  13.387   2.060  -4.291
   58    HD2  PHE   9           HD1      PHE   9   9.999   2.548  -1.695
   59    HE1  PHE   9           HE2      PHE   9  11.954   2.537  -6.252
   60    HE2  PHE   9           HE1      PHE   9   8.568   3.030  -3.654
   61    HZ   PHE   9           HZ       PHE   9   9.543   3.024  -5.935
   62    H    ILE  10           HN       ILE  10  12.166   4.155   0.366
   63    HA   ILE  10           HA       ILE  10  10.687   6.014  -1.183
   64    HB   ILE  10           HB       ILE  10  11.168   5.912   1.802
   65   HG12  ILE  10          HG12      ILE  10   8.769   4.964   0.202
   66   HG13  ILE  10          HG11      ILE  10  10.097   3.893   0.649
   67   HG21  ILE  10          HG21      ILE  10   8.969   7.193   1.820
   68   HG22  ILE  10          HG22      ILE  10   9.200   7.455   0.091
   69   HG23  ILE  10          HG23      ILE  10  10.363   8.107   1.247
   70   HD11  ILE  10          HD11      ILE  10   8.449   5.509   2.612
   71   HD12  ILE  10          HD12      ILE  10   9.722   4.359   3.019
   72   HD13  ILE  10          HD13      ILE  10   8.225   3.791   2.281
   73    H    GLU  11           HN       GLU  11  13.734   6.217   0.546
   74    HA   GLU  11           HA       GLU  11  13.813   9.123   0.297
   75    HB2  GLU  11           HB2      GLU  11  15.630   7.054   1.552
   76    HB3  GLU  11           HB1      GLU  11  16.073   8.759   1.447
   77    HG2  GLU  11           HG2      GLU  11  13.469   7.832   2.678
   78    HG3  GLU  11           HG1      GLU  11  14.946   8.029   3.618
   79    H    GLY  12           HN       GLY  12  15.783   6.363  -0.780
   80    HA2  GLY  12           HA2      GLY  12  17.070   8.134  -2.788
   81    HA3  GLY  12           HA1      GLY  12  17.802   6.706  -2.078
   82    H    GLY  13           HN       GLY  13  14.458   6.720  -3.099
   83    HA2  GLY  13           HA2      GLY  13  13.395   5.319  -4.630
   84    HA3  GLY  13           HA1      GLY  13  14.538   6.069  -5.728
   85    H    TRP  14           HN       TRP  14  14.907   4.306  -7.009
   86    HA   TRP  14           HA       TRP  14  15.282   1.675  -6.255
   87    HB2  TRP  14           HB2      TRP  14  15.101   2.360  -8.592
   88    HB3  TRP  14           HB1      TRP  14  16.659   3.178  -8.491
   89    HD1  TRP  14           HD1      TRP  14  18.839   1.636  -8.173
   90    HE1  TRP  14           HE1      TRP  14  19.282  -0.816  -8.817
   91    HE3  TRP  14           HE3      TRP  14  14.044   0.034  -8.864
   92    HZ2  TRP  14           HZ2      TRP  14  17.795  -3.155  -9.543
   93    HZ3  TRP  14           HZ3      TRP  14  13.584  -2.309  -9.532
   94    HH2  TRP  14           HH2      TRP  14  15.452  -3.903  -9.871
   95    H    THR  15           HN       THR  15  17.923   4.023  -6.881
   96    HA   THR  15           HA       THR  15  20.052   2.472  -6.074
   97    HB   THR  15           HB       THR  15  19.793   5.430  -5.493
   98    HG1  THR  15           HG1      THR  15  20.368   4.059  -7.905
   99   HG21  THR  15          HG21      THR  15  21.810   4.189  -4.656
  100   HG22  THR  15          HG22      THR  15  22.194   5.437  -5.843
  101   HG23  THR  15          HG23      THR  15  22.167   3.740  -6.324
  102    H    GLY  16           HN       GLY  16  17.741   4.226  -4.095
  103    HA2  GLY  16           HA2      GLY  16  19.167   3.974  -1.642
  104    HA3  GLY  16           HA1      GLY  16  17.469   4.379  -1.830
  105    H    MET  17           HN       MET  17  16.702   2.056  -3.288
  106    HA   MET  17           HA       MET  17  16.032   0.294  -1.223
  107    HB2  MET  17           HB2      MET  17  14.909   0.466  -3.468
  108    HB3  MET  17           HB1      MET  17  16.266  -0.428  -4.148
  109    HG2  MET  17           HG2      MET  17  15.787  -2.243  -2.428
  110    HG3  MET  17           HG1      MET  17  14.304  -1.373  -2.044
  111    HE1  MET  17           HE1      MET  17  16.041  -3.899  -4.094
  112    HE2  MET  17           HE2      MET  17  16.416  -2.550  -5.163
  113    HE3  MET  17           HE3      MET  17  15.355  -3.840  -5.722
  114    H    ILE  18           HN       ILE  18  18.602   0.070  -3.669
  115    HA   ILE  18           HA       ILE  18  19.600  -2.442  -2.840
  116    HB   ILE  18           HB       ILE  18  21.008  -0.162  -4.246
  117   HG12  ILE  18          HG12      ILE  18  19.825  -2.707  -5.399
  118   HG13  ILE  18          HG11      ILE  18  18.934  -1.187  -5.329
  119   HG21  ILE  18          HG21      ILE  18  21.758  -3.061  -3.789
  120   HG22  ILE  18          HG22      ILE  18  22.694  -1.629  -3.363
  121   HG23  ILE  18          HG23      ILE  18  22.492  -2.078  -5.056
  122   HD11  ILE  18          HD11      ILE  18  20.493  -0.090  -6.763
  123   HD12  ILE  18          HD12      ILE  18  20.175  -1.653  -7.511
  124   HD13  ILE  18          HD13      ILE  18  21.668  -1.397  -6.613
  125    H    ASP  19           HN       ASP  19  20.711   0.866  -2.092
  126    HA   ASP  19           HA       ASP  19  22.862   0.223  -0.462
  127    HB2  ASP  19           HB2      ASP  19  20.978   2.526   0.042
  128    HB3  ASP  19           HB1      ASP  19  22.699   2.440   0.407
  129    H    GLY  20           HN       GLY  20  19.425   0.501   0.372
  130    HA2  GLY  20           HA2      GLY  20  19.795   0.098   3.172
  131    HA3  GLY  20           HA1      GLY  20  18.275  -0.030   2.290
  132    H    TRP  21           HN       TRP  21  19.249  -2.038   0.428
  133    HA   TRP  21           HA       TRP  21  18.582  -4.379   1.861
  134    HB2  TRP  21           HB2      TRP  21  18.226  -4.208  -0.550
  135    HB3  TRP  21           HB1      TRP  21  19.961  -4.049  -0.820
  136    HD1  TRP  21           HD1      TRP  21  21.334  -6.203  -1.031
  137    HE1  TRP  21           HE1      TRP  21  20.825  -8.717  -0.785
  138    HE3  TRP  21           HE3      TRP  21  16.613  -5.961   0.898
  139    HZ2  TRP  21           HZ2      TRP  21  18.700 -10.402   0.115
  140    HZ3  TRP  21           HZ3      TRP  21  15.370  -8.034   1.440
  141    HH2  TRP  21           HH2      TRP  21  16.407 -10.254   1.052
  142    H    TYR  22           HN       TYR  22  21.718  -3.219   0.614
  143    HA   TYR  22           HA       TYR  22  23.152  -5.383   1.906
  144    HB2  TYR  22           HB2      TYR  22  24.005  -2.933   0.350
  145    HB3  TYR  22           HB1      TYR  22  25.171  -4.016   1.111
  146    HD1  TYR  22           HD2      TYR  22  24.864  -6.576   0.626
  147    HD2  TYR  22           HD1      TYR  22  23.248  -3.445  -1.834
  148    HE1  TYR  22           HE2      TYR  22  24.688  -8.157  -1.276
  149    HE2  TYR  22           HE1      TYR  22  23.073  -5.026  -3.730
  150    HH   TYR  22           HH       TYR  22  23.669  -8.454  -3.327
  151    H    GLY  23           HN       GLY  23  22.451  -2.000   2.541
  152    HA2  GLY  23           HA2      GLY  23  22.608  -0.800   4.503
  153    HA3  GLY  23           HA1      GLY  23  23.094  -2.286   5.312
  154    H    SER  24           HN       SER  24  24.214   0.361   5.676
  155    HA   SER  24           HA       SER  24  26.978  -0.306   5.609
  156    HB2  SER  24           HB2      SER  24  26.935   0.210   3.279
  157    HB3  SER  24           HB1      SER  24  25.967   1.657   3.550
  158    HG   SER  24           HG       SER  24  27.903   2.204   4.986
  Start of MODEL    5
    1    H1   GLY   1           HT1      GLY   1  19.099  -3.608   5.061
    2    H2   GLY   1           HT2      GLY   1  19.230  -4.288   6.614
    3    H3   GLY   1           HT3      GLY   1  17.817  -3.459   6.162
    4    HA2  GLY   1           HA2      GLY   1  18.675  -5.812   4.614
    5    HA3  GLY   1           HA1      GLY   1  17.821  -6.030   6.142
    6    H    LEU   2           HN       LEU   2  15.754  -6.442   5.752
    7    HA   LEU   2           HA       LEU   2  14.417  -5.713   3.383
    8    HB2  LEU   2           HB2      LEU   2  13.748  -7.649   4.771
    9    HB3  LEU   2           HB1      LEU   2  13.238  -6.547   6.050
   10    HG   LEU   2           HG       LEU   2  11.581  -5.527   4.491
   11   HD11  LEU   2          HD11      LEU   2  12.873  -7.461   2.573
   12   HD12  LEU   2          HD12      LEU   2  12.355  -5.796   2.312
   13   HD13  LEU   2          HD13      LEU   2  11.159  -7.084   2.377
   14   HD21  LEU   2          HD21      LEU   2  11.446  -8.532   4.835
   15   HD22  LEU   2          HD22      LEU   2  10.083  -7.533   4.335
   16   HD23  LEU   2          HD23      LEU   2  10.804  -7.304   5.929
   17    H    PHE   3           HN       PHE   3  14.120  -4.458   6.703
   18    HA   PHE   3           HA       PHE   3  12.233  -2.445   6.092
   19    HB2  PHE   3           HB2      PHE   3  14.285  -2.300   8.308
   20    HB3  PHE   3           HB1      PHE   3  12.666  -1.600   8.282
   21    HD1  PHE   3           HD1      PHE   3  10.778  -3.499   7.619
   22    HD2  PHE   3           HD2      PHE   3  14.495  -4.210   9.673
   23    HE1  PHE   3           HE1      PHE   3   9.848  -5.575   8.596
   24    HE2  PHE   3           HE2      PHE   3  13.557  -6.281  10.641
   25    HZ   PHE   3           HZ       PHE   3  11.237  -6.965  10.107
   26    H    GLY   4           HN       GLY   4  15.778  -2.321   6.400
   27    HA2  GLY   4           HA2      GLY   4  16.108   0.415   5.933
   28    HA3  GLY   4           HA1      GLY   4  17.310  -0.821   5.572
   29    H    ALA   5           HN       ALA   5  15.630  -2.258   3.682
   30    HA   ALA   5           HA       ALA   5  16.265  -0.841   1.289
   31    HB1  ALA   5           HB1      ALA   5  15.183  -2.689   0.158
   32    HB2  ALA   5           HB2      ALA   5  14.399  -3.196   1.650
   33    HB3  ALA   5           HB3      ALA   5  16.149  -3.326   1.485
   34    H    ILE   6           HN       ILE   6  13.173  -1.539   2.920
   35    HA   ILE   6           HA       ILE   6  11.507  -0.269   1.049
   36    HB   ILE   6           HB       ILE   6  11.138  -0.602   4.036
   37   HG12  ILE   6          HG12      ILE   6   9.988  -2.237   1.755
   38   HG13  ILE   6          HG11      ILE   6  11.476  -2.681   2.592
   39   HG21  ILE   6          HG21      ILE   6   9.239   0.211   1.818
   40   HG22  ILE   6          HG22      ILE   6   9.588   1.076   3.313
   41   HG23  ILE   6          HG23      ILE   6   8.672  -0.429   3.361
   42   HD11  ILE   6          HD11      ILE   6  10.318  -2.880   4.700
   43   HD12  ILE   6          HD12      ILE   6   9.400  -3.796   3.504
   44   HD13  ILE   6          HD13      ILE   6   8.843  -2.200   4.012
   45    H    ALA   7           HN       ALA   7  12.842   1.019   4.110
   46    HA   ALA   7           HA       ALA   7  11.827   3.643   3.754
   47    HB1  ALA   7           HB1      ALA   7  14.156   2.619   5.394
   48    HB2  ALA   7           HB2      ALA   7  12.499   2.860   5.945
   49    HB3  ALA   7           HB3      ALA   7  13.491   4.248   5.504
   50    H    GLY   8           HN       GLY   8  14.942   2.128   2.960
   51    HA2  GLY   8           HA2      GLY   8  16.272   4.463   2.103
   52    HA3  GLY   8           HA1      GLY   8  16.677   2.815   1.620
   53    H    PHE   9           HN       PHE   9  14.092   2.219   0.480
   54    HA   PHE   9           HA       PHE   9  14.521   3.136  -2.150
   55    HB2  PHE   9           HB2      PHE   9  13.450   1.025  -1.859
   56    HB3  PHE   9           HB1      PHE   9  12.213   1.721  -0.818
   57    HD1  PHE   9           HD1      PHE   9  13.632   2.181  -4.272
   58    HD2  PHE   9           HD2      PHE   9  10.128   2.228  -1.791
   59    HE1  PHE   9           HE1      PHE   9  12.239   2.653  -6.258
   60    HE2  PHE   9           HE2      PHE   9   8.733   2.696  -3.779
   61    HZ   PHE   9           HZ       PHE   9   9.785   2.908  -6.014
   62    H    ILE  10           HN       ILE  10  12.205   4.044   0.355
   63    HA   ILE  10           HA       ILE  10  10.729   5.877  -1.237
   64    HB   ILE  10           HB       ILE  10  11.087   5.696   1.759
   65   HG12  ILE  10          HG12      ILE  10   8.722   4.861   0.048
   66   HG13  ILE  10          HG11      ILE  10  10.029   3.748   0.449
   67   HG21  ILE  10          HG21      ILE  10   8.880   7.001   1.718
   68   HG22  ILE  10          HG22      ILE  10   9.240   7.364   0.031
   69   HG23  ILE  10          HG23      ILE  10  10.328   7.919   1.303
   70   HD11  ILE  10          HD11      ILE  10   9.630   4.168   2.859
   71   HD12  ILE  10          HD12      ILE  10   8.199   3.513   2.062
   72   HD13  ILE  10          HD13      ILE  10   8.288   5.233   2.436
   73    H    GLU  11           HN       GLU  11  13.738   6.117   0.532
   74    HA   GLU  11           HA       GLU  11  13.744   9.029   0.384
   75    HB2  GLU  11           HB2      GLU  11  15.608   6.971   1.575
   76    HB3  GLU  11           HB1      GLU  11  15.999   8.690   1.534
   77    HG2  GLU  11           HG2      GLU  11  14.109   9.247   2.885
   78    HG3  GLU  11           HG1      GLU  11  13.426   7.632   2.720
   79    H    GLY  12           HN       GLY  12  15.739   6.331  -0.807
   80    HA2  GLY  12           HA2      GLY  12  16.991   8.189  -2.759
   81    HA3  GLY  12           HA1      GLY  12  17.767   6.765  -2.079
   82    H    GLY  13           HN       GLY  13  14.415   6.772  -3.135
   83    HA2  GLY  13           HA2      GLY  13  13.379   5.379  -4.683
   84    HA3  GLY  13           HA1      GLY  13  14.528   6.149  -5.766
   85    H    TRP  14           HN       TRP  14  14.933   4.404  -7.063
   86    HA   TRP  14           HA       TRP  14  15.301   1.766  -6.339
   87    HB2  TRP  14           HB2      TRP  14  15.165   2.552  -8.671
   88    HB3  TRP  14           HB1      TRP  14  16.774   3.259  -8.520
   89    HD1  TRP  14           HD1      TRP  14  18.821   1.523  -8.053
   90    HE1  TRP  14           HE1      TRP  14  19.115  -0.926  -8.793
   91    HE3  TRP  14           HE3      TRP  14  13.983   0.366  -9.204
   92    HZ2  TRP  14           HZ2      TRP  14  17.509  -3.092  -9.758
   93    HZ3  TRP  14           HZ3      TRP  14  13.393  -1.895 -10.030
   94    HH2  TRP  14           HH2      TRP  14  15.148  -3.623 -10.308
   95    H    THR  15           HN       THR  15  17.998   4.042  -6.983
   96    HA   THR  15           HA       THR  15  20.085   2.482  -6.122
   97    HB   THR  15           HB       THR  15  19.895   5.441  -5.522
   98    HG1  THR  15           HG1      THR  15  20.626   5.676  -7.692
   99   HG21  THR  15          HG21      THR  15  21.900   4.216  -4.735
  100   HG22  THR  15          HG22      THR  15  22.301   5.364  -6.011
  101   HG23  THR  15          HG23      THR  15  22.181   3.643  -6.377
  102    H    GLY  16           HN       GLY  16  17.757   4.234  -4.174
  103    HA2  GLY  16           HA2      GLY  16  19.147   3.997  -1.700
  104    HA3  GLY  16           HA1      GLY  16  17.443   4.375  -1.913
  105    H    MET  17           HN       MET  17  16.745   2.044  -3.398
  106    HA   MET  17           HA       MET  17  16.055   0.279  -1.348
  107    HB2  MET  17           HB2      MET  17  14.932   0.381  -3.565
  108    HB3  MET  17           HB1      MET  17  16.349  -0.364  -4.295
  109    HG2  MET  17           HG2      MET  17  14.998  -1.728  -1.968
  110    HG3  MET  17           HG1      MET  17  14.319  -1.887  -3.586
  111    HE1  MET  17           HE1      MET  17  15.667  -2.237  -5.575
  112    HE2  MET  17           HE2      MET  17  15.179  -3.889  -5.206
  113    HE3  MET  17           HE3      MET  17  16.835  -3.560  -5.711
  114    H    ILE  18           HN       ILE  18  18.673   0.065  -3.748
  115    HA   ILE  18           HA       ILE  18  19.697  -2.430  -2.895
  116    HB   ILE  18           HB       ILE  18  21.111  -0.104  -4.221
  117   HG12  ILE  18          HG12      ILE  18  20.021  -2.661  -5.430
  118   HG13  ILE  18          HG11      ILE  18  19.114  -1.148  -5.399
  119   HG21  ILE  18          HG21      ILE  18  22.665  -1.995  -4.988
  120   HG22  ILE  18          HG22      ILE  18  21.915  -2.980  -3.735
  121   HG23  ILE  18          HG23      ILE  18  22.800  -1.522  -3.295
  122   HD11  ILE  18          HD11      ILE  18  20.823  -0.027  -6.701
  123   HD12  ILE  18          HD12      ILE  18  20.385  -1.517  -7.537
  124   HD13  ILE  18          HD13      ILE  18  21.879  -1.436  -6.605
  125    H    ASP  19           HN       ASP  19  20.762   0.883  -2.108
  126    HA   ASP  19           HA       ASP  19  22.852   0.302  -0.399
  127    HB2  ASP  19           HB2      ASP  19  22.069   2.589  -1.162
  128    HB3  ASP  19           HB1      ASP  19  20.851   2.507   0.110
  129    H    GLY  20           HN       GLY  20  19.392   0.578   0.427
  130    HA2  GLY  20           HA2      GLY  20  19.732   0.048   3.195
  131    HA3  GLY  20           HA1      GLY  20  18.228  -0.069   2.294
  132    H    TRP  21           HN       TRP  21  19.225  -2.012   0.380
  133    HA   TRP  21           HA       TRP  21  18.563  -4.406   1.715
  134    HB2  TRP  21           HB2      TRP  21  18.344  -4.052  -0.737
  135    HB3  TRP  21           HB1      TRP  21  20.100  -4.083  -0.875
  136    HD1  TRP  21           HD1      TRP  21  21.292  -6.377  -0.851
  137    HE1  TRP  21           HE1      TRP  21  20.470  -8.820  -0.768
  138    HE3  TRP  21           HE3      TRP  21  16.373  -5.620   0.302
  139    HZ2  TRP  21           HZ2      TRP  21  18.054 -10.262  -0.268
  140    HZ3  TRP  21           HZ3      TRP  21  14.836  -7.545   0.576
  141    HH2  TRP  21           HH2      TRP  21  15.670  -9.862   0.292
  142    H    TYR  22           HN       TYR  22  21.729  -3.264   0.523
  143    HA   TYR  22           HA       TYR  22  23.147  -5.418   1.814
  144    HB2  TYR  22           HB2      TYR  22  23.997  -2.893   0.386
  145    HB3  TYR  22           HB1      TYR  22  25.170  -3.943   1.180
  146    HD1  TYR  22           HD1      TYR  22  25.224  -6.413   0.547
  147    HD2  TYR  22           HD2      TYR  22  23.148  -3.451  -1.768
  148    HE1  TYR  22           HE1      TYR  22  25.209  -7.946  -1.402
  149    HE2  TYR  22           HE2      TYR  22  23.137  -4.986  -3.716
  150    HH   TYR  22           HH       TYR  22  23.247  -7.595  -3.994
  151    H    GLY  23           HN       GLY  23  22.322  -2.102   2.602
  152    HA2  GLY  23           HA2      GLY  23  22.359  -1.023   4.646
  153    HA3  GLY  23           HA1      GLY  23  22.932  -2.522   5.376
  154    H    SER  24           HN       SER  24  25.247  -3.081   4.943
  155    HA   SER  24           HA       SER  24  27.064  -1.022   4.118
  156    HB2  SER  24           HB2      SER  24  27.057  -1.677   7.068
  157    HB3  SER  24           HB1      SER  24  28.068  -0.502   6.233
  158    HG   SER  24           HG       SER  24  25.243  -0.444   6.543
  Start of MODEL    6
    1    H1   GLY   1           HT1      GLY   1  19.292  -3.663   5.046
    2    H2   GLY   1           HT2      GLY   1  19.260  -4.107   6.686
    3    H3   GLY   1           HT3      GLY   1  17.941  -3.285   5.999
    4    HA2  GLY   1           HA2      GLY   1  18.726  -5.848   4.814
    5    HA3  GLY   1           HA1      GLY   1  17.859  -5.864   6.352
    6    H    LEU   2           HN       LEU   2  15.833  -6.411   5.845
    7    HA   LEU   2           HA       LEU   2  14.541  -5.746   3.423
    8    HB2  LEU   2           HB2      LEU   2  13.951  -7.649   4.977
    9    HB3  LEU   2           HB1      LEU   2  13.214  -6.450   6.040
   10    HG   LEU   2           HG       LEU   2  11.878  -5.705   3.896
   11   HD11  LEU   2          HD11      LEU   2  11.417  -7.702   2.394
   12   HD12  LEU   2          HD12      LEU   2  12.847  -8.462   3.092
   13   HD13  LEU   2          HD13      LEU   2  13.000  -6.955   2.189
   14   HD21  LEU   2          HD21      LEU   2  11.356  -8.286   5.392
   15   HD22  LEU   2          HD22      LEU   2  10.171  -7.515   4.337
   16   HD23  LEU   2          HD23      LEU   2  10.745  -6.676   5.779
   17    H    PHE   3           HN       PHE   3  14.129  -4.443   6.717
   18    HA   PHE   3           HA       PHE   3  12.224  -2.498   5.988
   19    HB2  PHE   3           HB2      PHE   3  12.926  -3.395   8.345
   20    HB3  PHE   3           HB1      PHE   3  14.150  -2.127   8.287
   21    HD1  PHE   3           HD1      PHE   3  10.486  -2.712   7.822
   22    HD2  PHE   3           HD2      PHE   3  13.564   0.093   8.899
   23    HE1  PHE   3           HE1      PHE   3   8.755  -1.050   8.462
   24    HE2  PHE   3           HE2      PHE   3  11.834   1.747   9.540
   25    HZ   PHE   3           HZ       PHE   3   9.431   1.177   9.321
   26    H    GLY   4           HN       GLY   4  15.751  -2.325   6.331
   27    HA2  GLY   4           HA2      GLY   4  16.060   0.416   5.877
   28    HA3  GLY   4           HA1      GLY   4  17.275  -0.808   5.523
   29    H    ALA   5           HN       ALA   5  15.525  -2.242   3.648
   30    HA   ALA   5           HA       ALA   5  16.207  -0.839   1.255
   31    HB1  ALA   5           HB1      ALA   5  14.376  -3.228   1.647
   32    HB2  ALA   5           HB2      ALA   5  16.119  -3.306   1.389
   33    HB3  ALA   5           HB3      ALA   5  15.067  -2.688   0.115
   34    H    ILE   6           HN       ILE   6  13.114  -1.523   2.890
   35    HA   ILE   6           HA       ILE   6  11.447  -0.258   1.010
   36    HB   ILE   6           HB       ILE   6  11.055  -0.567   3.995
   37   HG12  ILE   6          HG12      ILE   6   9.972  -2.288   1.744
   38   HG13  ILE   6          HG11      ILE   6  11.471  -2.670   2.594
   39   HG21  ILE   6          HG21      ILE   6   9.166   0.132   1.732
   40   HG22  ILE   6          HG22      ILE   6   9.484   1.060   3.198
   41   HG23  ILE   6          HG23      ILE   6   8.603  -0.466   3.292
   42   HD11  ILE   6          HD11      ILE   6  10.209  -2.648   4.748
   43   HD12  ILE   6          HD12      ILE   6   9.627  -3.884   3.634
   44   HD13  ILE   6          HD13      ILE   6   8.719  -2.386   3.840
   45    H    ALA   7           HN       ALA   7  12.809   1.011   4.066
   46    HA   ALA   7           HA       ALA   7  11.789   3.642   3.730
   47    HB1  ALA   7           HB1      ALA   7  12.495   2.761   5.909
   48    HB2  ALA   7           HB2      ALA   7  13.371   4.238   5.512
   49    HB3  ALA   7           HB3      ALA   7  14.163   2.672   5.342
   50    H    GLY   8           HN       GLY   8  14.920   2.129   2.959
   51    HA2  GLY   8           HA2      GLY   8  16.245   4.473   2.110
   52    HA3  GLY   8           HA1      GLY   8  16.668   2.824   1.636
   53    H    PHE   9           HN       PHE   9  14.059   2.235   0.506
   54    HA   PHE   9           HA       PHE   9  14.510   3.123  -2.137
   55    HB2  PHE   9           HB2      PHE   9  13.427   1.023  -1.839
   56    HB3  PHE   9           HB1      PHE   9  12.196   1.733  -0.797
   57    HD1  PHE   9           HD1      PHE   9  13.612   2.261  -4.244
   58    HD2  PHE   9           HD2      PHE   9  10.093   2.155  -1.783
   59    HE1  PHE   9           HE1      PHE   9  12.214   2.735  -6.228
   60    HE2  PHE   9           HE2      PHE   9   8.696   2.627  -3.772
   61    HZ   PHE   9           HZ       PHE   9   9.755   2.919  -5.994
   62    H    ILE  10           HN       ILE  10  12.181   4.060   0.345
   63    HA   ILE  10           HA       ILE  10  10.740   5.900  -1.280
   64    HB   ILE  10           HB       ILE  10  11.042   5.754   1.717
   65   HG12  ILE  10          HG12      ILE  10   8.740   4.822  -0.027
   66   HG13  ILE  10          HG11      ILE  10  10.065   3.751   0.434
   67   HG21  ILE  10          HG21      ILE  10   9.159   7.313  -0.075
   68   HG22  ILE  10          HG22      ILE  10  10.245   7.956   1.158
   69   HG23  ILE  10          HG23      ILE  10   8.834   7.012   1.631
   70   HD11  ILE  10          HD11      ILE  10   8.164   3.540   1.992
   71   HD12  ILE  10          HD12      ILE  10   8.282   5.260   2.362
   72   HD13  ILE  10          HD13      ILE  10   9.594   4.170   2.808
   73    H    GLU  11           HN       GLU  11  13.716   6.143   0.560
   74    HA   GLU  11           HA       GLU  11  13.741   9.061   0.390
   75    HB2  GLU  11           HB2      GLU  11  15.537   6.994   1.641
   76    HB3  GLU  11           HB1      GLU  11  15.976   8.700   1.579
   77    HG2  GLU  11           HG2      GLU  11  13.347   7.734   2.723
   78    HG3  GLU  11           HG1      GLU  11  14.798   7.935   3.704
   79    H    GLY  12           HN       GLY  12  15.749   6.342  -0.743
   80    HA2  GLY  12           HA2      GLY  12  17.078   8.179  -2.662
   81    HA3  GLY  12           HA1      GLY  12  17.801   6.725  -1.991
   82    H    GLY  13           HN       GLY  13  14.460   6.759  -3.061
   83    HA2  GLY  13           HA2      GLY  13  13.428   5.438  -4.669
   84    HA3  GLY  13           HA1      GLY  13  14.616   6.195  -5.720
   85    H    TRP  14           HN       TRP  14  14.919   4.409  -7.022
   86    HA   TRP  14           HA       TRP  14  15.264   1.771  -6.281
   87    HB2  TRP  14           HB2      TRP  14  15.089   2.505  -8.611
   88    HB3  TRP  14           HB1      TRP  14  16.682   3.253  -8.504
   89    HD1  TRP  14           HD1      TRP  14  18.786   1.593  -8.119
   90    HE1  TRP  14           HE1      TRP  14  19.127  -0.863  -8.805
   91    HE3  TRP  14           HE3      TRP  14  13.943   0.260  -9.014
   92    HZ2  TRP  14           HZ2      TRP  14  17.547  -3.103  -9.650
   93    HZ3  TRP  14           HZ3      TRP  14  13.386  -2.036  -9.761
   94    HH2  TRP  14           HH2      TRP  14  15.180  -3.718 -10.078
   95    H    THR  15           HN       THR  15  17.967   4.040  -6.947
   96    HA   THR  15           HA       THR  15  20.067   2.463  -6.124
   97    HB   THR  15           HB       THR  15  19.831   5.433  -5.594
   98    HG1  THR  15           HG1      THR  15  20.141   3.936  -7.934
   99   HG21  THR  15          HG21      THR  15  22.280   5.344  -6.011
  100   HG22  THR  15          HG22      THR  15  22.168   3.591  -6.157
  101   HG23  THR  15          HG23      THR  15  21.801   4.372  -4.620
  102    H    GLY  16           HN       GLY  16  17.777   4.249  -4.159
  103    HA2  GLY  16           HA2      GLY  16  19.191   3.999  -1.698
  104    HA3  GLY  16           HA1      GLY  16  17.488   4.395  -1.895
  105    H    MET  17           HN       MET  17  16.738   2.077  -3.357
  106    HA   MET  17           HA       MET  17  16.043   0.321  -1.298
  107    HB2  MET  17           HB2      MET  17  14.949   0.476  -3.555
  108    HB3  MET  17           HB1      MET  17  16.317  -0.411  -4.218
  109    HG2  MET  17           HG2      MET  17  15.840  -2.258  -2.583
  110    HG3  MET  17           HG1      MET  17  14.396  -1.381  -2.081
  111    HE1  MET  17           HE1      MET  17  15.347  -3.349  -6.076
  112    HE2  MET  17           HE2      MET  17  15.603  -4.174  -4.541
  113    HE3  MET  17           HE3      MET  17  16.455  -2.669  -4.877
  114    H    ILE  18           HN       ILE  18  18.599   0.009  -3.771
  115    HA   ILE  18           HA       ILE  18  19.586  -2.486  -2.896
  116    HB   ILE  18           HB       ILE  18  21.013  -0.215  -4.297
  117   HG12  ILE  18          HG12      ILE  18  19.873  -2.776  -5.454
  118   HG13  ILE  18          HG11      ILE  18  18.951  -1.274  -5.389
  119   HG21  ILE  18          HG21      ILE  18  22.694  -1.672  -3.377
  120   HG22  ILE  18          HG22      ILE  18  22.520  -2.114  -5.075
  121   HG23  ILE  18          HG23      ILE  18  21.775  -3.109  -3.825
  122   HD11  ILE  18          HD11      ILE  18  21.689  -1.464  -6.663
  123   HD12  ILE  18          HD12      ILE  18  20.529  -0.142  -6.791
  124   HD13  ILE  18          HD13      ILE  18  20.191  -1.690  -7.565
  125    H    ASP  19           HN       ASP  19  20.711   0.819  -2.147
  126    HA   ASP  19           HA       ASP  19  22.841   0.186  -0.494
  127    HB2  ASP  19           HB2      ASP  19  20.947   2.474   0.026
  128    HB3  ASP  19           HB1      ASP  19  22.674   2.399   0.359
  129    H    GLY  20           HN       GLY  20  19.396   0.482   0.334
  130    HA2  GLY  20           HA2      GLY  20  19.746   0.059   3.127
  131    HA3  GLY  20           HA1      GLY  20  18.235  -0.082   2.231
  132    H    TRP  21           HN       TRP  21  19.204  -2.084   0.380
  133    HA   TRP  21           HA       TRP  21  18.564  -4.433   1.812
  134    HB2  TRP  21           HB2      TRP  21  18.222  -4.230  -0.610
  135    HB3  TRP  21           HB1      TRP  21  19.965  -4.125  -0.855
  136    HD1  TRP  21           HD1      TRP  21  21.262  -6.321  -1.061
  137    HE1  TRP  21           HE1      TRP  21  20.680  -8.816  -0.789
  138    HE3  TRP  21           HE3      TRP  21  16.550  -5.919   0.864
  139    HZ2  TRP  21           HZ2      TRP  21  18.499 -10.431   0.120
  140    HZ3  TRP  21           HZ3      TRP  21  15.244  -7.951   1.424
  141    HH2  TRP  21           HH2      TRP  21  16.211 -10.202   1.055
  142    H    TYR  22           HN       TYR  22  21.687  -3.213   0.599
  143    HA   TYR  22           HA       TYR  22  23.165  -5.373   1.832
  144    HB2  TYR  22           HB2      TYR  22  23.924  -2.846   0.360
  145    HB3  TYR  22           HB1      TYR  22  25.149  -3.823   1.168
  146    HD1  TYR  22           HD2      TYR  22  25.529  -6.177   0.494
  147    HD2  TYR  22           HD1      TYR  22  22.852  -3.610  -1.671
  148    HE1  TYR  22           HE2      TYR  22  25.564  -7.756  -1.416
  149    HE2  TYR  22           HE1      TYR  22  22.886  -5.190  -3.582
  150    HH   TYR  22           HH       TYR  22  24.266  -8.344  -3.334
  151    H    GLY  23           HN       GLY  23  22.269  -2.092   2.667
  152    HA2  GLY  23           HA2      GLY  23  22.357  -0.995   4.685
  153    HA3  GLY  23           HA1      GLY  23  22.886  -2.505   5.420
  154    H    SER  24           HN       SER  24  24.932  -2.080   2.921
  155    HA   SER  24           HA       SER  24  26.684  -0.048   3.911
  156    HB2  SER  24           HB2      SER  24  28.475  -1.454   4.740
  157    HB3  SER  24           HB1      SER  24  27.007  -1.819   5.642
  158    HG   SER  24           HG       SER  24  26.804  -3.442   3.741
  Start of MODEL    7
    1    H1   GLY   1           HT1      GLY   1  18.906  -3.599   5.339
    2    H2   GLY   1           HT2      GLY   1  19.008  -4.532   3.922
    3    H3   GLY   1           HT3      GLY   1  19.949  -4.936   5.279
    4    HA2  GLY   1           HA2      GLY   1  18.188  -6.474   5.280
    5    HA3  GLY   1           HA1      GLY   1  17.784  -5.276   6.515
    6    H    LEU   2           HN       LEU   2  15.693  -6.580   5.686
    7    HA   LEU   2           HA       LEU   2  14.466  -5.771   3.290
    8    HB2  LEU   2           HB2      LEU   2  13.759  -7.720   4.693
    9    HB3  LEU   2           HB1      LEU   2  13.082  -6.578   5.856
   10    HG   LEU   2           HG       LEU   2  11.653  -5.632   4.004
   11   HD11  LEU   2          HD11      LEU   2  12.626  -6.187   1.958
   12   HD12  LEU   2          HD12      LEU   2  11.368  -7.413   2.058
   13   HD13  LEU   2          HD13      LEU   2  13.035  -7.826   2.467
   14   HD21  LEU   2          HD21      LEU   2  11.363  -8.569   4.690
   15   HD22  LEU   2          HD22      LEU   2  10.093  -7.594   3.954
   16   HD23  LEU   2          HD23      LEU   2  10.680  -7.199   5.570
   17    H    PHE   3           HN       PHE   3  14.125  -4.511   6.596
   18    HA   PHE   3           HA       PHE   3  12.232  -2.508   5.943
   19    HB2  PHE   3           HB2      PHE   3  14.218  -2.366   8.217
   20    HB3  PHE   3           HB1      PHE   3  12.599  -1.670   8.141
   21    HD1  PHE   3           HD2      PHE   3  10.720  -3.535   7.457
   22    HD2  PHE   3           HD1      PHE   3  14.409  -4.314   9.535
   23    HE1  PHE   3           HE2      PHE   3   9.758  -5.618   8.398
   24    HE2  PHE   3           HE1      PHE   3  13.441  -6.393  10.465
   25    HZ   PHE   3           HZ       PHE   3  11.118  -7.045   9.899
   26    H    GLY   4           HN       GLY   4  15.768  -2.388   6.339
   27    HA2  GLY   4           HA2      GLY   4  16.135   0.337   5.930
   28    HA3  GLY   4           HA1      GLY   4  17.321  -0.900   5.530
   29    H    ALA   5           HN       ALA   5  15.571  -2.239   3.615
   30    HA   ALA   5           HA       ALA   5  16.252  -0.749   1.276
   31    HB1  ALA   5           HB1      ALA   5  14.539  -3.206   1.685
   32    HB2  ALA   5           HB2      ALA   5  16.222  -3.150   1.164
   33    HB3  ALA   5           HB3      ALA   5  14.950  -2.548   0.102
   34    H    ILE   6           HN       ILE   6  13.166  -1.464   2.898
   35    HA   ILE   6           HA       ILE   6  11.483  -0.181   1.054
   36    HB   ILE   6           HB       ILE   6  11.143  -0.522   4.046
   37   HG12  ILE   6          HG12      ILE   6   9.996  -2.146   1.757
   38   HG13  ILE   6          HG11      ILE   6  11.465  -2.599   2.624
   39   HG21  ILE   6          HG21      ILE   6   9.205   0.263   1.850
   40   HG22  ILE   6          HG22      ILE   6   9.598   1.175   3.307
   41   HG23  ILE   6          HG23      ILE   6   8.680  -0.324   3.427
   42   HD11  ILE   6          HD11      ILE   6   8.720  -2.217   3.855
   43   HD12  ILE   6          HD12      ILE   6  10.186  -2.609   4.752
   44   HD13  ILE   6          HD13      ILE   6   9.530  -3.761   3.588
   45    H    ALA   7           HN       ALA   7  12.856   1.087   4.111
   46    HA   ALA   7           HA       ALA   7  11.848   3.714   3.786
   47    HB1  ALA   7           HB1      ALA   7  14.318   2.875   5.317
   48    HB2  ALA   7           HB2      ALA   7  12.674   2.708   5.932
   49    HB3  ALA   7           HB3      ALA   7  13.330   4.308   5.589
   50    H    GLY   8           HN       GLY   8  14.964   2.209   2.951
   51    HA2  GLY   8           HA2      GLY   8  16.249   4.567   2.062
   52    HA3  GLY   8           HA1      GLY   8  16.688   2.921   1.605
   53    H    PHE   9           HN       PHE   9  14.087   2.261   0.507
   54    HA   PHE   9           HA       PHE   9  14.482   3.115  -2.147
   55    HB2  PHE   9           HB2      PHE   9  13.402   1.020  -1.789
   56    HB3  PHE   9           HB1      PHE   9  12.183   1.755  -0.751
   57    HD1  PHE   9           HD2      PHE   9  13.569   2.196  -4.222
   58    HD2  PHE   9           HD1      PHE   9  10.076   2.169  -1.716
   59    HE1  PHE   9           HE2      PHE   9  12.143   2.621  -6.202
   60    HE2  PHE   9           HE1      PHE   9   8.657   2.603  -3.698
   61    HZ   PHE   9           HZ       PHE   9   9.687   2.828  -5.940
   62    H    ILE  10           HN       ILE  10  12.192   4.095   0.357
   63    HA   ILE  10           HA       ILE  10  10.743   5.919  -1.284
   64    HB   ILE  10           HB       ILE  10  11.052   5.810   1.714
   65   HG12  ILE  10          HG12      ILE  10   8.763   4.827  -0.016
   66   HG13  ILE  10          HG11      ILE  10  10.092   3.778   0.475
   67   HG21  ILE  10          HG21      ILE  10   8.825   7.045   1.603
   68   HG22  ILE  10          HG22      ILE  10   9.168   7.334  -0.104
   69   HG23  ILE  10          HG23      ILE  10  10.237   7.990   1.137
   70   HD11  ILE  10          HD11      ILE  10   9.601   4.205   2.830
   71   HD12  ILE  10          HD12      ILE  10   8.153   3.613   2.017
   72   HD13  ILE  10          HD13      ILE  10   8.320   5.330   2.380
   73    H    GLU  11           HN       GLU  11  13.725   6.166   0.533
   74    HA   GLU  11           HA       GLU  11  13.758   9.083   0.357
   75    HB2  GLU  11           HB2      GLU  11  15.562   7.017   1.600
   76    HB3  GLU  11           HB1      GLU  11  16.008   8.721   1.521
   77    HG2  GLU  11           HG2      GLU  11  13.384   7.781   2.699
   78    HG3  GLU  11           HG1      GLU  11  14.847   7.970   3.666
   79    H    GLY  12           HN       GLY  12  15.727   6.350  -0.793
   80    HA2  GLY  12           HA2      GLY  12  17.041   8.167  -2.742
   81    HA3  GLY  12           HA1      GLY  12  17.779   6.725  -2.054
   82    H    GLY  13           HN       GLY  13  14.428   6.735  -3.100
   83    HA2  GLY  13           HA2      GLY  13  13.386   5.374  -4.673
   84    HA3  GLY  13           HA1      GLY  13  14.560   6.123  -5.747
   85    H    TRP  14           HN       TRP  14  14.886   4.339  -7.025
   86    HA   TRP  14           HA       TRP  14  15.237   1.705  -6.271
   87    HB2  TRP  14           HB2      TRP  14  15.074   2.398  -8.606
   88    HB3  TRP  14           HB1      TRP  14  16.641   3.201  -8.497
   89    HD1  TRP  14           HD1      TRP  14  18.801   1.618  -8.104
   90    HE1  TRP  14           HE1      TRP  14  19.224  -0.826  -8.777
   91    HE3  TRP  14           HE3      TRP  14  14.007   0.107  -8.981
   92    HZ2  TRP  14           HZ2      TRP  14  17.728  -3.131  -9.588
   93    HZ3  TRP  14           HZ3      TRP  14  13.533  -2.216  -9.703
   94    HH2  TRP  14           HH2      TRP  14  15.385  -3.836 -10.006
   95    H    THR  15           HN       THR  15  17.919   4.008  -6.898
   96    HA   THR  15           HA       THR  15  20.025   2.427  -6.079
   97    HB   THR  15           HB       THR  15  19.721   5.411  -5.656
   98    HG1  THR  15           HG1      THR  15  19.393   4.846  -7.801
   99   HG21  THR  15          HG21      THR  15  21.621   4.597  -4.434
  100   HG22  THR  15          HG22      THR  15  22.240   5.301  -5.928
  101   HG23  THR  15          HG23      THR  15  22.105   3.550  -5.770
  102    H    GLY  16           HN       GLY  16  17.738   4.221  -4.118
  103    HA2  GLY  16           HA2      GLY  16  19.156   3.985  -1.662
  104    HA3  GLY  16           HA1      GLY  16  17.451   4.377  -1.854
  105    H    MET  17           HN       MET  17  16.734   2.027  -3.319
  106    HA   MET  17           HA       MET  17  16.053   0.284  -1.238
  107    HB2  MET  17           HB2      MET  17  14.929   0.425  -3.480
  108    HB3  MET  17           HB1      MET  17  16.297  -0.450  -4.159
  109    HG2  MET  17           HG2      MET  17  15.868  -2.318  -2.573
  110    HG3  MET  17           HG1      MET  17  14.463  -1.447  -1.958
  111    HE1  MET  17           HE1      MET  17  15.868  -3.875  -4.359
  112    HE2  MET  17           HE2      MET  17  16.148  -2.466  -5.379
  113    HE3  MET  17           HE3      MET  17  14.990  -3.696  -5.882
  114    H    ILE  18           HN       ILE  18  18.600  -0.007  -3.718
  115    HA   ILE  18           HA       ILE  18  19.604  -2.500  -2.850
  116    HB   ILE  18           HB       ILE  18  21.032  -0.232  -4.255
  117   HG12  ILE  18          HG12      ILE  18  19.804  -2.754  -5.406
  118   HG13  ILE  18          HG11      ILE  18  18.950  -1.211  -5.344
  119   HG21  ILE  18          HG21      ILE  18  22.684  -1.741  -3.354
  120   HG22  ILE  18          HG22      ILE  18  22.503  -2.143  -5.059
  121   HG23  ILE  18          HG23      ILE  18  21.738  -3.150  -3.831
  122   HD11  ILE  18          HD11      ILE  18  20.143  -1.675  -7.523
  123   HD12  ILE  18          HD12      ILE  18  21.664  -1.554  -6.642
  124   HD13  ILE  18          HD13      ILE  18  20.593  -0.157  -6.748
  125    H    ASP  19           HN       ASP  19  20.722   0.816  -2.124
  126    HA   ASP  19           HA       ASP  19  22.859   0.179  -0.470
  127    HB2  ASP  19           HB2      ASP  19  20.973   2.494  -0.037
  128    HB3  ASP  19           HB1      ASP  19  22.678   2.407   0.396
  129    H    GLY  20           HN       GLY  20  19.422   0.572   0.374
  130    HA2  GLY  20           HA2      GLY  20  19.768   0.170   3.165
  131    HA3  GLY  20           HA1      GLY  20  18.255   0.027   2.274
  132    H    TRP  21           HN       TRP  21  19.230  -2.005   0.445
  133    HA   TRP  21           HA       TRP  21  18.567  -4.332   1.905
  134    HB2  TRP  21           HB2      TRP  21  18.312  -4.028  -0.578
  135    HB3  TRP  21           HB1      TRP  21  20.061  -4.200  -0.722
  136    HD1  TRP  21           HD1      TRP  21  21.093  -6.579  -0.499
  137    HE1  TRP  21           HE1      TRP  21  20.078  -8.945  -0.318
  138    HE3  TRP  21           HE3      TRP  21  16.213  -5.388   0.429
  139    HZ2  TRP  21           HZ2      TRP  21  17.542 -10.166   0.170
  140    HZ3  TRP  21           HZ3      TRP  21  14.524  -7.169   0.748
  141    HH2  TRP  21           HH2      TRP  21  15.180  -9.555   0.620
  142    H    TYR  22           HN       TYR  22  21.712  -3.222   0.610
  143    HA   TYR  22           HA       TYR  22  23.150  -5.353   1.922
  144    HB2  TYR  22           HB2      TYR  22  23.961  -2.891   0.368
  145    HB3  TYR  22           HB1      TYR  22  25.160  -3.897   1.179
  146    HD1  TYR  22           HD1      TYR  22  25.308  -6.348   0.614
  147    HD2  TYR  22           HD2      TYR  22  22.960  -3.590  -1.693
  148    HE1  TYR  22           HE1      TYR  22  25.250  -7.969  -1.262
  149    HE2  TYR  22           HE2      TYR  22  22.904  -5.208  -3.570
  150    HH   TYR  22           HH       TYR  22  23.185  -8.027  -3.572
  151    H    GLY  23           HN       GLY  23  22.431  -1.977   2.582
  152    HA2  GLY  23           HA2      GLY  23  22.564  -0.783   4.541
  153    HA3  GLY  23           HA1      GLY  23  22.986  -2.281   5.365
  154    H    SER  24           HN       SER  24  24.714  -0.858   2.635
  155    HA   SER  24           HA       SER  24  26.807   0.278   4.259
  156    HB2  SER  24           HB2      SER  24  27.448  -2.218   2.670
  157    HB3  SER  24           HB1      SER  24  28.586  -1.240   3.593
  158    HG   SER  24           HG       SER  24  26.737  -3.107   4.430
  Start of MODEL    8
    1    H1   GLY   1           HT1      GLY   1  19.089  -3.336   5.444
    2    H2   GLY   1           HT2      GLY   1  19.067  -4.093   6.966
    3    H3   GLY   1           HT3      GLY   1  17.662  -3.351   6.361
    4    HA2  GLY   1           HA2      GLY   1  18.866  -5.464   4.747
    5    HA3  GLY   1           HA1      GLY   1  18.009  -5.942   6.215
    6    H    LEU   2           HN       LEU   2  15.901  -6.267   6.021
    7    HA   LEU   2           HA       LEU   2  14.530  -5.795   3.583
    8    HB2  LEU   2           HB2      LEU   2  14.116  -7.514   5.600
    9    HB3  LEU   2           HB1      LEU   2  13.002  -6.265   6.132
   10    HG   LEU   2           HG       LEU   2  11.773  -7.837   4.768
   11   HD11  LEU   2          HD11      LEU   2  10.767  -6.326   3.239
   12   HD12  LEU   2          HD12      LEU   2  12.273  -5.445   2.987
   13   HD13  LEU   2          HD13      LEU   2  11.418  -5.309   4.524
   14   HD21  LEU   2          HD21      LEU   2  13.246  -7.314   2.230
   15   HD22  LEU   2          HD22      LEU   2  12.531  -8.802   2.839
   16   HD23  LEU   2          HD23      LEU   2  14.119  -8.303   3.402
   17    H    PHE   3           HN       PHE   3  14.051  -4.360   6.818
   18    HA   PHE   3           HA       PHE   3  12.175  -2.425   5.963
   19    HB2  PHE   3           HB2      PHE   3  14.061  -2.113   8.307
   20    HB3  PHE   3           HB1      PHE   3  12.442  -1.438   8.117
   21    HD1  PHE   3           HD1      PHE   3  10.592  -3.325   7.502
   22    HD2  PHE   3           HD2      PHE   3  14.212  -4.001   9.727
   23    HE1  PHE   3           HE1      PHE   3   9.586  -5.342   8.533
   24    HE2  PHE   3           HE2      PHE   3  13.201  -6.019  10.750
   25    HZ   PHE   3           HZ       PHE   3  10.888  -6.690  10.155
   26    H    GLY   4           HN       GLY   4  15.693  -2.302   6.354
   27    HA2  GLY   4           HA2      GLY   4  16.073   0.416   5.832
   28    HA3  GLY   4           HA1      GLY   4  17.256  -0.846   5.506
   29    H    ALA   5           HN       ALA   5  15.524  -2.283   3.635
   30    HA   ALA   5           HA       ALA   5  16.222  -0.911   1.226
   31    HB1  ALA   5           HB1      ALA   5  16.165  -3.337   1.285
   32    HB2  ALA   5           HB2      ALA   5  14.956  -2.767   0.134
   33    HB3  ALA   5           HB3      ALA   5  14.460  -3.321   1.732
   34    H    ILE   6           HN       ILE   6  13.116  -1.559   2.858
   35    HA   ILE   6           HA       ILE   6  11.487  -0.275   0.946
   36    HB   ILE   6           HB       ILE   6  11.016  -0.625   3.915
   37   HG12  ILE   6          HG12      ILE   6  10.014  -2.341   1.622
   38   HG13  ILE   6          HG11      ILE   6  11.495  -2.713   2.508
   39   HG21  ILE   6          HG21      ILE   6   9.466   0.999   3.055
   40   HG22  ILE   6          HG22      ILE   6   8.593  -0.529   3.152
   41   HG23  ILE   6          HG23      ILE   6   9.188   0.049   1.595
   42   HD11  ILE   6          HD11      ILE   6  10.222  -2.786   4.619
   43   HD12  ILE   6          HD12      ILE   6   9.573  -3.939   3.453
   44   HD13  ILE   6          HD13      ILE   6   8.739  -2.413   3.740
   45    H    ALA   7           HN       ALA   7  12.803   0.942   4.044
   46    HA   ALA   7           HA       ALA   7  11.781   3.575   3.750
   47    HB1  ALA   7           HB1      ALA   7  12.492   2.649   5.913
   48    HB2  ALA   7           HB2      ALA   7  13.352   4.145   5.547
   49    HB3  ALA   7           HB3      ALA   7  14.160   2.591   5.343
   50    H    GLY   8           HN       GLY   8  14.908   2.077   2.965
   51    HA2  GLY   8           HA2      GLY   8  16.237   4.432   2.153
   52    HA3  GLY   8           HA1      GLY   8  16.657   2.790   1.655
   53    H    PHE   9           HN       PHE   9  14.066   2.209   0.506
   54    HA   PHE   9           HA       PHE   9  14.510   3.116  -2.128
   55    HB2  PHE   9           HB2      PHE   9  13.413   1.014  -1.832
   56    HB3  PHE   9           HB1      PHE   9  12.178   1.729  -0.804
   57    HD1  PHE   9           HD2      PHE   9  13.643   2.280  -4.224
   58    HD2  PHE   9           HD1      PHE   9  10.087   2.124  -1.820
   59    HE1  PHE   9           HE2      PHE   9  12.268   2.760  -6.227
   60    HE2  PHE   9           HE1      PHE   9   8.712   2.608  -3.826
   61    HZ   PHE   9           HZ       PHE   9   9.804   2.928  -6.030
   62    H    ILE  10           HN       ILE  10  12.157   4.033   0.349
   63    HA   ILE  10           HA       ILE  10  10.751   5.900  -1.262
   64    HB   ILE  10           HB       ILE  10  11.028   5.661   1.735
   65   HG12  ILE  10          HG12      ILE  10   8.700   4.935  -0.076
   66   HG13  ILE  10          HG11      ILE  10   9.956   3.776   0.367
   67   HG21  ILE  10          HG21      ILE  10   9.299   7.444   0.001
   68   HG22  ILE  10          HG22      ILE  10  10.347   7.909   1.341
   69   HG23  ILE  10          HG23      ILE  10   8.852   7.030   1.659
   70   HD11  ILE  10          HD11      ILE  10   9.430   3.942   2.689
   71   HD12  ILE  10          HD12      ILE  10   7.890   3.759   1.848
   72   HD13  ILE  10          HD13      ILE  10   8.394   5.347   2.424
   73    H    GLU  11           HN       GLU  11  13.724   6.136   0.613
   74    HA   GLU  11           HA       GLU  11  13.768   9.048   0.449
   75    HB2  GLU  11           HB2      GLU  11  15.566   6.953   1.683
   76    HB3  GLU  11           HB1      GLU  11  16.010   8.659   1.646
   77    HG2  GLU  11           HG2      GLU  11  13.386   7.664   2.782
   78    HG3  GLU  11           HG1      GLU  11  14.834   7.887   3.764
   79    H    GLY  12           HN       GLY  12  15.761   6.328  -0.737
   80    HA2  GLY  12           HA2      GLY  12  17.115   8.193  -2.611
   81    HA3  GLY  12           HA1      GLY  12  17.813   6.713  -1.968
   82    H    GLY  13           HN       GLY  13  14.481   6.794  -3.046
   83    HA2  GLY  13           HA2      GLY  13  13.433   5.520  -4.681
   84    HA3  GLY  13           HA1      GLY  13  14.636   6.266  -5.724
   85    H    TRP  14           HN       TRP  14  14.906   4.474  -7.035
   86    HA   TRP  14           HA       TRP  14  15.213   1.830  -6.322
   87    HB2  TRP  14           HB2      TRP  14  15.041   2.600  -8.641
   88    HB3  TRP  14           HB1      TRP  14  16.643   3.331  -8.526
   89    HD1  TRP  14           HD1      TRP  14  18.708   1.609  -8.038
   90    HE1  TRP  14           HE1      TRP  14  19.031  -0.824  -8.809
   91    HE3  TRP  14           HE3      TRP  14  13.896   0.436  -9.243
   92    HZ2  TRP  14           HZ2      TRP  14  17.448  -2.991  -9.816
   93    HZ3  TRP  14           HZ3      TRP  14  13.325  -1.816 -10.108
   94    HH2  TRP  14           HH2      TRP  14  15.094  -3.530 -10.393
   95    H    THR  15           HN       THR  15  17.921   4.103  -6.928
   96    HA   THR  15           HA       THR  15  20.016   2.474  -6.146
   97    HB   THR  15           HB       THR  15  19.891   5.433  -5.528
   98    HG1  THR  15           HG1      THR  15  20.744   4.442  -7.994
   99   HG21  THR  15          HG21      THR  15  22.276   5.327  -6.081
  100   HG22  THR  15          HG22      THR  15  22.128   3.614  -6.470
  101   HG23  THR  15          HG23      THR  15  21.898   4.165  -4.810
  102    H    GLY  16           HN       GLY  16  17.729   4.238  -4.180
  103    HA2  GLY  16           HA2      GLY  16  19.136   4.002  -1.709
  104    HA3  GLY  16           HA1      GLY  16  17.429   4.384  -1.912
  105    H    MET  17           HN       MET  17  16.749   2.038  -3.407
  106    HA   MET  17           HA       MET  17  16.062   0.271  -1.346
  107    HB2  MET  17           HB2      MET  17  14.901   0.414  -3.549
  108    HB3  MET  17           HB1      MET  17  16.293  -0.353  -4.303
  109    HG2  MET  17           HG2      MET  17  14.929  -1.696  -1.970
  110    HG3  MET  17           HG1      MET  17  14.256  -1.844  -3.591
  111    HE1  MET  17           HE1      MET  17  14.888  -3.540  -5.196
  112    HE2  MET  17           HE2      MET  17  16.560  -3.914  -5.604
  113    HE3  MET  17           HE3      MET  17  15.992  -2.250  -5.689
  114    H    ILE  18           HN       ILE  18  18.625   0.040  -3.812
  115    HA   ILE  18           HA       ILE  18  19.628  -2.471  -2.982
  116    HB   ILE  18           HB       ILE  18  21.057  -0.187  -4.366
  117   HG12  ILE  18          HG12      ILE  18  19.838  -2.705  -5.539
  118   HG13  ILE  18          HG11      ILE  18  18.976  -1.168  -5.463
  119   HG21  ILE  18          HG21      ILE  18  22.530  -2.096  -5.184
  120   HG22  ILE  18          HG22      ILE  18  21.773  -3.102  -3.949
  121   HG23  ILE  18          HG23      ILE  18  22.715  -1.686  -3.480
  122   HD11  ILE  18          HD11      ILE  18  20.596  -0.092  -6.866
  123   HD12  ILE  18          HD12      ILE  18  20.183  -1.615  -7.650
  124   HD13  ILE  18          HD13      ILE  18  21.695  -1.464  -6.759
  125    H    ASP  19           HN       ASP  19  20.733   0.833  -2.204
  126    HA   ASP  19           HA       ASP  19  22.867   0.173  -0.547
  127    HB2  ASP  19           HB2      ASP  19  22.217   2.472  -1.348
  128    HB3  ASP  19           HB1      ASP  19  20.975   2.483  -0.098
  129    H    GLY  20           HN       GLY  20  19.414   0.475   0.246
  130    HA2  GLY  20           HA2      GLY  20  19.739   0.076   3.046
  131    HA3  GLY  20           HA1      GLY  20  18.235  -0.076   2.142
  132    H    TRP  21           HN       TRP  21  19.276  -2.099   0.312
  133    HA   TRP  21           HA       TRP  21  18.605  -4.436   1.745
  134    HB2  TRP  21           HB2      TRP  21  18.363  -4.264  -0.692
  135    HB3  TRP  21           HB1      TRP  21  20.113  -4.154  -0.868
  136    HD1  TRP  21           HD1      TRP  21  21.396  -6.352  -1.075
  137    HE1  TRP  21           HE1      TRP  21  20.818  -8.844  -0.764
  138    HE3  TRP  21           HE3      TRP  21  16.684  -5.928   0.837
  139    HZ2  TRP  21           HZ2      TRP  21  18.641 -10.449   0.173
  140    HZ3  TRP  21           HZ3      TRP  21  15.382  -7.951   1.429
  141    HH2  TRP  21           HH2      TRP  21  16.352 -10.208   1.099
  142    H    TYR  22           HN       TYR  22  21.764  -3.203   0.646
  143    HA   TYR  22           HA       TYR  22  23.260  -5.336   1.833
  144    HB2  TYR  22           HB2      TYR  22  23.970  -2.642   0.666
  145    HB3  TYR  22           HB1      TYR  22  25.195  -3.600   1.497
  146    HD1  TYR  22           HD2      TYR  22  25.572  -6.009   0.749
  147    HD2  TYR  22           HD1      TYR  22  23.378  -3.152  -1.593
  148    HE1  TYR  22           HE2      TYR  22  25.898  -7.411  -1.266
  149    HE2  TYR  22           HE1      TYR  22  23.706  -4.558  -3.612
  150    HH   TYR  22           HH       TYR  22  24.146  -6.987  -4.104
  151    H    GLY  23           HN       GLY  23  22.129  -2.213   2.942
  152    HA2  GLY  23           HA2      GLY  23  21.997  -1.371   5.089
  153    HA3  GLY  23           HA1      GLY  23  22.646  -2.901   5.678
  154    H    SER  24           HN       SER  24  23.255   0.253   5.734
  155    HA   SER  24           HA       SER  24  26.025   0.375   4.997
  156    HB2  SER  24           HB2      SER  24  25.975   2.578   6.084
  157    HB3  SER  24           HB1      SER  24  24.596   2.375   5.007
  158    HG   SER  24           HG       SER  24  23.296   2.387   6.675
  Start of MODEL    9
    1    H1   GLY   1           HT1      GLY   1  18.867  -3.664   4.930
    2    H2   GLY   1           HT2      GLY   1  19.389  -4.393   6.373
    3    H3   GLY   1           HT3      GLY   1  17.878  -3.618   6.307
    4    HA2  GLY   1           HA2      GLY   1  18.573  -5.997   4.671
    5    HA3  GLY   1           HA1      GLY   1  17.731  -6.082   6.223
    6    H    LEU   2           HN       LEU   2  15.673  -6.552   5.768
    7    HA   LEU   2           HA       LEU   2  14.351  -5.834   3.396
    8    HB2  LEU   2           HB2      LEU   2  13.605  -7.726   4.758
    9    HB3  LEU   2           HB1      LEU   2  13.209  -6.644   6.091
   10    HG   LEU   2           HG       LEU   2  11.493  -5.533   4.685
   11   HD11  LEU   2          HD11      LEU   2  12.216  -5.677   2.461
   12   HD12  LEU   2          HD12      LEU   2  10.946  -6.893   2.484
   13   HD13  LEU   2          HD13      LEU   2  12.637  -7.384   2.588
   14   HD21  LEU   2          HD21      LEU   2   9.951  -7.484   4.460
   15   HD22  LEU   2          HD22      LEU   2  10.748  -7.388   6.031
   16   HD23  LEU   2          HD23      LEU   2  11.309  -8.548   4.824
   17    H    PHE   3           HN       PHE   3  14.095  -4.493   6.680
   18    HA   PHE   3           HA       PHE   3  12.239  -2.464   6.023
   19    HB2  PHE   3           HB2      PHE   3  14.264  -2.610   8.269
   20    HB3  PHE   3           HB1      PHE   3  12.948  -1.442   8.181
   21    HD1  PHE   3           HD2      PHE   3  10.547  -2.563   7.643
   22    HD2  PHE   3           HD1      PHE   3  13.855  -4.559   9.547
   23    HE1  PHE   3           HE2      PHE   3   8.993  -4.214   8.626
   24    HE2  PHE   3           HE1      PHE   3  12.292  -6.203  10.525
   25    HZ   PHE   3           HZ       PHE   3   9.863  -6.033  10.068
   26    H    GLY   4           HN       GLY   4  15.776  -2.404   6.327
   27    HA2  GLY   4           HA2      GLY   4  16.178   0.312   5.837
   28    HA3  GLY   4           HA1      GLY   4  17.335  -0.958   5.452
   29    H    ALA   5           HN       ALA   5  15.550  -2.336   3.604
   30    HA   ALA   5           HA       ALA   5  16.202  -0.938   1.209
   31    HB1  ALA   5           HB1      ALA   5  14.275  -3.242   1.569
   32    HB2  ALA   5           HB2      ALA   5  16.021  -3.419   1.401
   33    HB3  ALA   5           HB3      ALA   5  15.070  -2.751   0.074
   34    H    ILE   6           HN       ILE   6  13.132  -1.520   2.918
   35    HA   ILE   6           HA       ILE   6  11.467  -0.211   1.062
   36    HB   ILE   6           HB       ILE   6  11.114  -0.537   4.051
   37   HG12  ILE   6          HG12      ILE   6   9.957  -2.196   1.789
   38   HG13  ILE   6          HG11      ILE   6  11.442  -2.635   2.632
   39   HG21  ILE   6          HG21      ILE   6   9.212   0.245   1.824
   40   HG22  ILE   6          HG22      ILE   6   9.575   1.142   3.298
   41   HG23  ILE   6          HG23      ILE   6   8.651  -0.356   3.385
   42   HD11  ILE   6          HD11      ILE   6  10.293  -2.835   4.733
   43   HD12  ILE   6          HD12      ILE   6   9.336  -3.719   3.545
   44   HD13  ILE   6          HD13      ILE   6   8.827  -2.115   4.069
   45    H    ALA   7           HN       ALA   7  12.910   1.004   4.104
   46    HA   ALA   7           HA       ALA   7  11.938   3.652   3.822
   47    HB1  ALA   7           HB1      ALA   7  12.663   2.883   5.981
   48    HB2  ALA   7           HB2      ALA   7  13.748   4.185   5.493
   49    HB3  ALA   7           HB3      ALA   7  14.274   2.505   5.371
   50    H    GLY   8           HN       GLY   8  15.013   2.100   2.917
   51    HA2  GLY   8           HA2      GLY   8  16.340   4.426   2.026
   52    HA3  GLY   8           HA1      GLY   8  16.712   2.776   1.524
   53    H    PHE   9           HN       PHE   9  14.108   2.190   0.453
   54    HA   PHE   9           HA       PHE   9  14.446   3.085  -2.176
   55    HB2  PHE   9           HB2      PHE   9  13.297   1.014  -1.776
   56    HB3  PHE   9           HB1      PHE   9  12.105   1.816  -0.764
   57    HD1  PHE   9           HD2      PHE   9  13.551   2.229  -4.215
   58    HD2  PHE   9           HD1      PHE   9  10.017   2.218  -1.778
   59    HE1  PHE   9           HE2      PHE   9  12.173   2.689  -6.216
   60    HE2  PHE   9           HE1      PHE   9   8.641   2.678  -3.776
   61    HZ   PHE   9           HZ       PHE   9   9.714   2.913  -5.998
   62    H    ILE  10           HN       ILE  10  12.238   4.097   0.378
   63    HA   ILE  10           HA       ILE  10  10.804   5.986  -1.195
   64    HB   ILE  10           HB       ILE  10  11.185   5.822   1.798
   65   HG12  ILE  10          HG12      ILE  10   8.822   4.941   0.108
   66   HG13  ILE  10          HG11      ILE  10  10.124   3.841   0.560
   67   HG21  ILE  10          HG21      ILE  10   9.298   7.428   0.055
   68   HG22  ILE  10          HG22      ILE  10  10.424   8.038   1.268
   69   HG23  ILE  10          HG23      ILE  10   8.999   7.129   1.768
   70   HD11  ILE  10          HD11      ILE  10   9.695   4.251   2.931
   71   HD12  ILE  10          HD12      ILE  10   8.211   3.722   2.139
   72   HD13  ILE  10          HD13      ILE  10   8.448   5.427   2.521
   73    H    GLU  11           HN       GLU  11  13.824   6.126   0.583
   74    HA   GLU  11           HA       GLU  11  13.917   9.027   0.462
   75    HB2  GLU  11           HB2      GLU  11  15.765   6.881   1.531
   76    HB3  GLU  11           HB1      GLU  11  16.218   8.585   1.513
   77    HG2  GLU  11           HG2      GLU  11  13.655   7.593   2.778
   78    HG3  GLU  11           HG1      GLU  11  15.164   7.745   3.676
   79    H    GLY  12           HN       GLY  12  15.832   6.328  -0.852
   80    HA2  GLY  12           HA2      GLY  12  17.008   8.209  -2.837
   81    HA3  GLY  12           HA1      GLY  12  17.814   6.791  -2.191
   82    H    GLY  13           HN       GLY  13  14.428   6.794  -3.142
   83    HA2  GLY  13           HA2      GLY  13  13.346   5.426  -4.674
   84    HA3  GLY  13           HA1      GLY  13  14.501   6.150  -5.777
   85    H    TRP  14           HN       TRP  14  14.791   4.351  -7.049
   86    HA   TRP  14           HA       TRP  14  15.128   1.724  -6.278
   87    HB2  TRP  14           HB2      TRP  14  14.944   2.417  -8.619
   88    HB3  TRP  14           HB1      TRP  14  16.538   3.166  -8.535
   89    HD1  TRP  14           HD1      TRP  14  18.645   1.505  -8.144
   90    HE1  TRP  14           HE1      TRP  14  18.976  -0.959  -8.803
   91    HE3  TRP  14           HE3      TRP  14  13.790   0.165  -8.977
   92    HZ2  TRP  14           HZ2      TRP  14  17.387  -3.208  -9.593
   93    HZ3  TRP  14           HZ3      TRP  14  13.227  -2.142  -9.682
   94    HH2  TRP  14           HH2      TRP  14  15.018  -3.830  -9.991
   95    H    THR  15           HN       THR  15  17.851   3.948  -7.006
   96    HA   THR  15           HA       THR  15  19.914   2.335  -6.159
   97    HB   THR  15           HB       THR  15  19.795   5.326  -5.684
   98    HG1  THR  15           HG1      THR  15  19.224   5.175  -7.754
   99   HG21  THR  15          HG21      THR  15  22.069   3.483  -6.470
  100   HG22  THR  15          HG22      THR  15  21.769   4.055  -4.831
  101   HG23  THR  15          HG23      THR  15  22.192   5.203  -6.101
  102    H    GLY  16           HN       GLY  16  17.738   4.304  -4.223
  103    HA2  GLY  16           HA2      GLY  16  19.145   4.135  -1.768
  104    HA3  GLY  16           HA1      GLY  16  17.431   4.484  -1.966
  105    H    MET  17           HN       MET  17  16.725   2.090  -3.328
  106    HA   MET  17           HA       MET  17  16.180   0.391  -1.152
  107    HB2  MET  17           HB2      MET  17  14.931   0.534  -3.375
  108    HB3  MET  17           HB1      MET  17  16.201  -0.475  -4.048
  109    HG2  MET  17           HG2      MET  17  15.726  -2.221  -2.384
  110    HG3  MET  17           HG1      MET  17  14.482  -1.205  -1.657
  111    HE1  MET  17           HE1      MET  17  15.813  -2.632  -4.906
  112    HE2  MET  17           HE2      MET  17  14.430  -3.456  -5.620
  113    HE3  MET  17           HE3      MET  17  15.109  -4.041  -4.104
  114    H    ILE  18           HN       ILE  18  18.643   0.281  -3.681
  115    HA   ILE  18           HA       ILE  18  19.708  -2.251  -3.061
  116    HB   ILE  18           HB       ILE  18  21.154   0.157  -4.191
  117   HG12  ILE  18          HG12      ILE  18  18.940  -0.763  -5.356
  118   HG13  ILE  18          HG11      ILE  18  20.363  -0.425  -6.333
  119   HG21  ILE  18          HG21      ILE  18  22.494  -1.751  -5.325
  120   HG22  ILE  18          HG22      ILE  18  21.793  -2.804  -4.097
  121   HG23  ILE  18          HG23      ILE  18  22.815  -1.449  -3.617
  122   HD11  ILE  18          HD11      ILE  18  20.937  -2.704  -6.525
  123   HD12  ILE  18          HD12      ILE  18  19.187  -2.690  -6.711
  124   HD13  ILE  18          HD13      ILE  18  19.904  -3.178  -5.181
  125    H    ASP  19           HN       ASP  19  20.696   0.977  -1.992
  126    HA   ASP  19           HA       ASP  19  22.850   0.154  -0.384
  127    HB2  ASP  19           HB2      ASP  19  22.401   2.505  -1.056
  128    HB3  ASP  19           HB1      ASP  19  21.035   2.534   0.057
  129    H    GLY  20           HN       GLY  20  19.401   0.590   0.394
  130    HA2  GLY  20           HA2      GLY  20  19.610   0.126   3.166
  131    HA3  GLY  20           HA1      GLY  20  18.160  -0.075   2.186
  132    H    TRP  21           HN       TRP  21  19.223  -2.067   0.422
  133    HA   TRP  21           HA       TRP  21  18.635  -4.415   1.883
  134    HB2  TRP  21           HB2      TRP  21  18.317  -4.288  -0.537
  135    HB3  TRP  21           HB1      TRP  21  20.049  -4.072  -0.774
  136    HD1  TRP  21           HD1      TRP  21  21.379  -6.196  -1.191
  137    HE1  TRP  21           HE1      TRP  21  21.003  -8.715  -0.805
  138    HE3  TRP  21           HE3      TRP  21  16.908  -6.052   1.274
  139    HZ2  TRP  21           HZ2      TRP  21  19.056 -10.443   0.385
  140    HZ3  TRP  21           HZ3      TRP  21  15.817  -8.148   2.022
  141    HH2  TRP  21           HH2      TRP  21  16.885 -10.340   1.581
  142    H    TYR  22           HN       TYR  22  21.732  -3.046   0.764
  143    HA   TYR  22           HA       TYR  22  23.291  -5.169   1.921
  144    HB2  TYR  22           HB2      TYR  22  23.927  -2.473   0.713
  145    HB3  TYR  22           HB1      TYR  22  25.188  -3.420   1.498
  146    HD1  TYR  22           HD1      TYR  22  25.380  -5.927   0.791
  147    HD2  TYR  22           HD2      TYR  22  23.430  -2.908  -1.566
  148    HE1  TYR  22           HE1      TYR  22  25.634  -7.339  -1.231
  149    HE2  TYR  22           HE2      TYR  22  23.686  -4.316  -3.581
  150    HH   TYR  22           HH       TYR  22  24.125  -7.365  -3.652
  151    H    GLY  23           HN       GLY  23  22.222  -1.990   2.960
  152    HA2  GLY  23           HA2      GLY  23  22.151  -1.060   5.061
  153    HA3  GLY  23           HA1      GLY  23  22.694  -2.607   5.706
  154    H    SER  24           HN       SER  24  24.820  -1.814   3.325
  155    HA   SER  24           HA       SER  24  26.470   0.097   4.703
  156    HB2  SER  24           HB2      SER  24  28.350  -1.463   5.132
  157    HB3  SER  24           HB1      SER  24  26.936  -1.833   6.114
  158    HG   SER  24           HG       SER  24  26.998  -3.053   3.643
  Start of MODEL   10
    1    H1   GLY   1           HT1      GLY   1  18.330  -3.373   4.897
    2    H2   GLY   1           HT2      GLY   1  19.734  -4.282   5.195
    3    H3   GLY   1           HT3      GLY   1  18.709  -3.848   6.479
    4    HA2  GLY   1           HA2      GLY   1  18.542  -6.080   4.686
    5    HA3  GLY   1           HA1      GLY   1  17.748  -5.831   6.244
    6    H    LEU   2           HN       LEU   2  15.737  -6.530   5.578
    7    HA   LEU   2           HA       LEU   2  14.452  -5.689   3.215
    8    HB2  LEU   2           HB2      LEU   2  13.856  -7.684   4.665
    9    HB3  LEU   2           HB1      LEU   2  13.091  -6.541   5.771
   10    HG   LEU   2           HG       LEU   2  11.831  -5.693   3.590
   11   HD11  LEU   2          HD11      LEU   2  12.707  -8.488   2.800
   12   HD12  LEU   2          HD12      LEU   2  13.020  -6.985   1.931
   13   HD13  LEU   2          HD13      LEU   2  11.379  -7.619   2.032
   14   HD21  LEU   2          HD21      LEU   2  11.216  -8.277   5.046
   15   HD22  LEU   2          HD22      LEU   2  10.075  -7.476   3.965
   16   HD23  LEU   2          HD23      LEU   2  10.625  -6.660   5.431
   17    H    PHE   3           HN       PHE   3  14.112  -4.568   6.583
   18    HA   PHE   3           HA       PHE   3  12.190  -2.582   6.015
   19    HB2  PHE   3           HB2      PHE   3  12.984  -3.610   8.303
   20    HB3  PHE   3           HB1      PHE   3  14.190  -2.324   8.269
   21    HD1  PHE   3           HD2      PHE   3  10.525  -2.970   7.989
   22    HD2  PHE   3           HD1      PHE   3  13.601  -0.113   8.919
   23    HE1  PHE   3           HE2      PHE   3   8.802  -1.365   8.777
   24    HE2  PHE   3           HE1      PHE   3  11.880   1.489   9.701
   25    HZ   PHE   3           HZ       PHE   3   9.481   0.863   9.634
   26    H    GLY   4           HN       GLY   4  15.730  -2.394   6.357
   27    HA2  GLY   4           HA2      GLY   4  16.003   0.360   5.969
   28    HA3  GLY   4           HA1      GLY   4  17.239  -0.837   5.591
   29    H    ALA   5           HN       ALA   5  15.552  -2.261   3.671
   30    HA   ALA   5           HA       ALA   5  16.224  -0.823   1.310
   31    HB1  ALA   5           HB1      ALA   5  14.359  -3.189   1.656
   32    HB2  ALA   5           HB2      ALA   5  16.102  -3.290   1.407
   33    HB3  ALA   5           HB3      ALA   5  15.067  -2.636   0.137
   34    H    ILE   6           HN       ILE   6  13.124  -1.476   2.936
   35    HA   ILE   6           HA       ILE   6  11.472  -0.184   1.063
   36    HB   ILE   6           HB       ILE   6  11.083  -0.518   4.049
   37   HG12  ILE   6          HG12      ILE   6   9.955  -2.163   1.763
   38   HG13  ILE   6          HG11      ILE   6  11.434  -2.602   2.618
   39   HG21  ILE   6          HG21      ILE   6   9.549   1.169   3.273
   40   HG22  ILE   6          HG22      ILE   6   8.632  -0.334   3.377
   41   HG23  ILE   6          HG23      ILE   6   9.188   0.251   1.810
   42   HD11  ILE   6          HD11      ILE   6   8.692  -2.244   3.864
   43   HD12  ILE   6          HD12      ILE   6  10.169  -2.602   4.759
   44   HD13  ILE   6          HD13      ILE   6   9.528  -3.776   3.610
   45    H    ALA   7           HN       ALA   7  12.886   1.059   4.103
   46    HA   ALA   7           HA       ALA   7  11.886   3.701   3.797
   47    HB1  ALA   7           HB1      ALA   7  13.632   4.261   5.506
   48    HB2  ALA   7           HB2      ALA   7  14.209   2.598   5.391
   49    HB3  ALA   7           HB3      ALA   7  12.578   2.927   5.973
   50    H    GLY   8           HN       GLY   8  14.987   2.166   2.962
   51    HA2  GLY   8           HA2      GLY   8  16.298   4.509   2.077
   52    HA3  GLY   8           HA1      GLY   8  16.717   2.859   1.614
   53    H    PHE   9           HN       PHE   9  14.103   2.244   0.516
   54    HA   PHE   9           HA       PHE   9  14.516   3.101  -2.136
   55    HB2  PHE   9           HB2      PHE   9  13.420   1.011  -1.791
   56    HB3  PHE   9           HB1      PHE   9  12.207   1.746  -0.747
   57    HD1  PHE   9           HD1      PHE   9  13.589   2.221  -4.216
   58    HD2  PHE   9           HD2      PHE   9  10.099   2.155  -1.714
   59    HE1  PHE   9           HE1      PHE   9  12.167   2.679  -6.190
   60    HE2  PHE   9           HE2      PHE   9   8.680   2.606  -3.688
   61    HZ   PHE   9           HZ       PHE   9   9.711   2.870  -5.927
   62    H    ILE  10           HN       ILE  10  12.208   4.073   0.351
   63    HA   ILE  10           HA       ILE  10  10.769   5.912  -1.274
   64    HB   ILE  10           HB       ILE  10  11.086   5.779   1.725
   65   HG12  ILE  10          HG12      ILE  10   8.771   4.860  -0.009
   66   HG13  ILE  10          HG11      ILE  10  10.081   3.778   0.469
   67   HG21  ILE  10          HG21      ILE  10   9.231   7.366  -0.069
   68   HG22  ILE  10          HG22      ILE  10  10.308   7.981   1.184
   69   HG23  ILE  10          HG23      ILE  10   8.875   7.054   1.630
   70   HD11  ILE  10          HD11      ILE  10   8.110   3.667   2.004
   71   HD12  ILE  10          HD12      ILE  10   8.383   5.361   2.415
   72   HD13  ILE  10          HD13      ILE  10   9.597   4.147   2.820
   73    H    GLU  11           HN       GLU  11  13.750   6.140   0.551
   74    HA   GLU  11           HA       GLU  11  13.794   9.053   0.387
   75    HB2  GLU  11           HB2      GLU  11  15.632   6.978   1.578
   76    HB3  GLU  11           HB1      GLU  11  16.034   8.695   1.543
   77    HG2  GLU  11           HG2      GLU  11  14.158   9.265   2.896
   78    HG3  GLU  11           HG1      GLU  11  13.442   7.665   2.711
   79    H    GLY  12           HN       GLY  12  15.761   6.331  -0.802
   80    HA2  GLY  12           HA2      GLY  12  17.050   8.169  -2.747
   81    HA3  GLY  12           HA1      GLY  12  17.796   6.728  -2.076
   82    H    GLY  13           HN       GLY  13  14.441   6.776  -3.118
   83    HA2  GLY  13           HA2      GLY  13  13.382   5.430  -4.691
   84    HA3  GLY  13           HA1      GLY  13  14.566   6.163  -5.763
   85    H    TRP  14           HN       TRP  14  14.849   4.360  -7.042
   86    HA   TRP  14           HA       TRP  14  15.182   1.728  -6.267
   87    HB2  TRP  14           HB2      TRP  14  14.996   2.381  -8.606
   88    HB3  TRP  14           HB1      TRP  14  16.556   3.198  -8.528
   89    HD1  TRP  14           HD1      TRP  14  18.737   1.634  -8.146
   90    HE1  TRP  14           HE1      TRP  14  19.174  -0.814  -8.790
   91    HE3  TRP  14           HE3      TRP  14  13.944   0.078  -8.945
   92    HZ2  TRP  14           HZ2      TRP  14  17.685  -3.136  -9.563
   93    HZ3  TRP  14           HZ3      TRP  14  13.480  -2.257  -9.635
   94    HH2  TRP  14           HH2      TRP  14  15.344  -3.864  -9.944
   95    H    THR  15           HN       THR  15  17.896   3.969  -6.979
   96    HA   THR  15           HA       THR  15  19.977   2.372  -6.154
   97    HB   THR  15           HB       THR  15  19.788   5.357  -5.686
   98    HG1  THR  15           HG1      THR  15  19.565   5.415  -7.763
   99   HG21  THR  15          HG21      THR  15  21.754   4.377  -4.682
  100   HG22  THR  15          HG22      THR  15  22.251   5.192  -6.164
  101   HG23  THR  15          HG23      THR  15  22.086   3.436  -6.137
  102    H    GLY  16           HN       GLY  16  17.722   4.196  -4.196
  103    HA2  GLY  16           HA2      GLY  16  19.162   3.992  -1.747
  104    HA3  GLY  16           HA1      GLY  16  17.459   4.389  -1.935
  105    H    MET  17           HN       MET  17  16.730   2.017  -3.365
  106    HA   MET  17           HA       MET  17  16.052   0.309  -1.249
  107    HB2  MET  17           HB2      MET  17  14.917   0.428  -3.490
  108    HB3  MET  17           HB1      MET  17  16.276  -0.467  -4.160
  109    HG2  MET  17           HG2      MET  17  15.834  -2.303  -2.529
  110    HG3  MET  17           HG1      MET  17  14.428  -1.413  -1.948
  111    HE1  MET  17           HE1      MET  17  14.996  -3.729  -5.828
  112    HE2  MET  17           HE2      MET  17  15.859  -3.888  -4.302
  113    HE3  MET  17           HE3      MET  17  16.148  -2.484  -5.326
  114    H    ILE  18           HN       ILE  18  18.625   0.061  -3.689
  115    HA   ILE  18           HA       ILE  18  19.629  -2.451  -2.835
  116    HB   ILE  18           HB       ILE  18  21.082  -0.182  -4.210
  117   HG12  ILE  18          HG12      ILE  18  19.818  -2.655  -5.424
  118   HG13  ILE  18          HG11      ILE  18  18.972  -1.113  -5.314
  119   HG21  ILE  18          HG21      ILE  18  21.728  -3.112  -3.801
  120   HG22  ILE  18          HG22      ILE  18  22.710  -1.718  -3.354
  121   HG23  ILE  18          HG23      ILE  18  22.494  -2.136  -5.053
  122   HD11  ILE  18          HD11      ILE  18  21.701  -1.350  -6.596
  123   HD12  ILE  18          HD12      ILE  18  20.539  -0.030  -6.735
  124   HD13  ILE  18          HD13      ILE  18  20.208  -1.579  -7.508
  125    H    ASP  19           HN       ASP  19  20.746   0.864  -2.111
  126    HA   ASP  19           HA       ASP  19  22.873   0.244  -0.443
  127    HB2  ASP  19           HB2      ASP  19  22.157   2.536  -1.254
  128    HB3  ASP  19           HB1      ASP  19  20.958   2.529   0.038
  129    H    GLY  20           HN       GLY  20  19.421   0.511   0.358
  130    HA2  GLY  20           HA2      GLY  20  19.753   0.116   3.158
  131    HA3  GLY  20           HA1      GLY  20  18.252  -0.046   2.253
  132    H    TRP  21           HN       TRP  21  19.269  -2.055   0.426
  133    HA   TRP  21           HA       TRP  21  18.642  -4.392   1.890
  134    HB2  TRP  21           HB2      TRP  21  18.239  -4.328  -0.490
  135    HB3  TRP  21           HB1      TRP  21  19.942  -4.014  -0.820
  136    HD1  TRP  21           HD1      TRP  21  21.437  -6.041  -1.203
  137    HE1  TRP  21           HE1      TRP  21  21.198  -8.586  -0.882
  138    HE3  TRP  21           HE3      TRP  21  16.931  -6.203   1.189
  139    HZ2  TRP  21           HZ2      TRP  21  19.334 -10.447   0.237
  140    HZ3  TRP  21           HZ3      TRP  21  15.947  -8.373   1.873
  141    HH2  TRP  21           HH2      TRP  21  17.144 -10.493   1.400
  142    H    TYR  22           HN       TYR  22  21.757  -3.168   0.645
  143    HA   TYR  22           HA       TYR  22  23.260  -5.313   1.828
  144    HB2  TYR  22           HB2      TYR  22  23.953  -2.714   0.463
  145    HB3  TYR  22           HB1      TYR  22  25.211  -3.643   1.277
  146    HD1  TYR  22           HD1      TYR  22  25.842  -5.872   0.493
  147    HD2  TYR  22           HD2      TYR  22  22.854  -3.560  -1.546
  148    HE1  TYR  22           HE1      TYR  22  26.001  -7.393  -1.457
  149    HE2  TYR  22           HE2      TYR  22  23.013  -5.080  -3.498
  150    HH   TYR  22           HH       TYR  22  24.678  -6.636  -4.480
  151    H    GLY  23           HN       GLY  23  22.284  -2.102   2.814
  152    HA2  GLY  23           HA2      GLY  23  22.309  -1.123   4.899
  153    HA3  GLY  23           HA1      GLY  23  22.909  -2.645   5.550
  154    H    SER  24           HN       SER  24  25.260  -3.135   4.817
  155    HA   SER  24           HA       SER  24  27.475  -2.584   5.107
  156    HB2  SER  24           HB2      SER  24  27.376  -1.670   2.920
  157    HB3  SER  24           HB1      SER  24  26.443  -0.277   3.459
  158    HG   SER  24           HG       SER  24  29.074  -0.532   3.287