*HEADER    LIPID BINDING PROTEIN                   18-JAN-01   1HY8              
*TITLE     SOLUTION STRUCTURE OF B. SUBTILIS ACYL CARRIER PROTEIN                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACYL CARRIER PROTEIN;                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ACP;                                                        
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS;                              
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21DE3;                                   
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PGEX-6P-1                                 
*KEYWDS    APO-ACP, HOLO-ACP, ACPS, FATTY ACID BIOSYNTHESIS, 4'                  
*KEYWDS   2 PHOSPHOPANTETHEINE PROSTHETIC GROUP                                  
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    G.-Y.XU, A.TAM, L.LIN, J.HIXON, C.C.FRITZ, R.POWER                    
*REVDAT   1   23-JAN-02 1HY8    0                                                

! distance.tbl
!intra 
assign (resid    6 and   name HA   )(resid    6 and   name HN   )   2.5  0.7 0.2      
assign (resid    6 and   name HA   )(resid    6 and   name HN   )   4.0  2.2 1.0      
assign (resid    6 and   name HA   )(resid    6 and   name HB#  )   2.5  0.7 1.7    
assign (resid    6 and   name HB#  )(resid    6 and   name HA   )   2.5  0.7 1.7    
assign (resid    7 and   name HA   )(resid    7 and   name HN   )   2.5  0.7 0.4      
assign (resid    8 and   name HA   )(resid    8 and   name HB   )   3.0  1.2 0.3       
assign (resid    8 and   name HA   )(resid    8 and   name HN   )   3.0  1.2 0.3      
assign (resid    8 and   name HA   )(resid    8 and   name HG2# )   2.5  0.7 1.7    
assign (resid    8 and   name HB   )(resid    8 and   name HN   )   2.5  0.7 0.4       
assign (resid    8 and   name HN   )(resid    8 and   name HG2# )   3.0  1.2 1.8     
assign (resid    9 and   name HA   )(resid    9 and   name HG   )   4.0  2.2 1.0       
assign (resid    9 and   name HA   )(resid    9 and   name HN   )   3.0  1.2 0.3      
assign (resid    9 and   name HG   )(resid    9 and   name HN   )   4.0  2.2 1.0       
assign (resid    9 and   name HB#  )(resid    9 and   name HN   )   3.0  1.2 0.9    
assign (resid    9 and   name HB#  )(resid    9 and   name HD1# )   3.0  1.2 2.8    
assign (resid    9 and   name HB#  )(resid    9 and   name HD2# )   3.0  1.2 2.8    
assign (resid   10 and   name HA   )(resid   10 and   name HN   )   2.5  0.7 0.2      
assign (resid   10 and   name HA   )(resid   10 and   name HG#  )   2.5  0.7 1.2    
assign (resid   10 and   name HN   )(resid   10 and   name HG#  )   3.0  1.2 1.3    
assign (resid   11 and   name HA   )(resid   11 and   name HN   )   2.5  0.7 0.4      
assign (resid   11 and   name HA   )(resid   11 and   name HD#  )   4.0  2.2 2.0    
assign (resid   11 and   name HB#  )(resid   11 and   name HD#  )   4.0  2.2 3.0    
assign (resid   11 and   name HG#  )(resid   11 and   name HA   )   3.0  1.2 1.3    
assign (resid   11 and   name HG#  )(resid   11 and   name HN   )   3.0  1.2 2.0     
assign (resid   12 and   name HA   )(resid   12 and   name HN   )   2.5  0.7 0.2      
assign (resid   12 and   name HA   )(resid   12 and   name HG#  )   2.5  0.7 1.9    
assign (resid   12 and   name HB   )(resid   12 and   name HN   )   2.5  0.7 0.2      
assign (resid   12 and   name HG#  )(resid   12 and   name HN   )   3.0  1.2 2.0    
assign (resid   13 and   name HA   )(resid   13 and   name HN   )   3.0  1.2 0.3      
assign (resid   13 and   name HA   )(resid   13 and   name HG#  )   2.5  0.7 1.2    
assign (resid   13 and   name HB   )(resid   13 and   name HN   )   3.0  1.2 0.3      
assign (resid   14 and   name HA   )(resid   14 and   name HN   )   3.0  1.2 0.3      
assign (resid   14 and   name HA   )(resid   14 and   name HG#  )   3.0  1.2 1.3    
assign (resid   14 and   name HN   )(resid   14 and   name HG#  )   4.0  2.2 2.0    
assign (resid   14 and   name HG#  )(resid   14 and   name HN   )   4.0  2.2 2.0    
assign (resid   15 and   name HA   )(resid   15 and   name HN   )   3.0  1.2 0.3      
assign (resid   15 and   name HA   )(resid   15 and   name HD#  )   3.0  1.2 1.8    
assign (resid   15 and   name HA   )(resid   15 and   name HG1# )   2.5  0.7 1.2    
assign (resid   15 and   name HB   )(resid   15 and   name HN   )   2.5  0.7 0.2      
assign (resid   15 and   name HB   )(resid   15 and   name HG1# )   2.5  0.7 1.2    
assign (resid   15 and   name HN   )(resid   15 and   name HG2# )   2.5  0.7 1.7    
assign (resid   15 and   name HD#  )(resid   15 and   name HA   )   4.0  2.2 2.5    
assign (resid   15 and   name HD#  )(resid   15 and   name HB   )   2.5  0.7 1.7    
assign (resid   15 and   name HD#  )(resid   15 and   name HN   )   3.0  1.2 1.8    
assign (resid   15 and   name HG#  )(resid   15 and   name HN   )   4.0  2.2 2.0    
assign (resid   15 and   name HG1# )(resid   15 and   name HA   )   3.0  1.2 1.3    
assign (resid   15 and   name HG1# )(resid   15 and   name HN   )   3.0  1.2 1.3    
assign (resid   15 and   name HG2# )(resid   15 and   name HA   )   3.0  1.2 1.8    
assign (resid   15 and   name HG2# )(resid   15 and   name HN   )   4.0  2.2 2.5    
assign (resid   16 and   name HA   )(resid   16 and   name HN   )   3.0  1.2 0.3      
assign (resid   16 and   name HA   )(resid   16 and   name HD#  )   3.0  1.2 1.8    
assign (resid   16 and   name HA   )(resid   16 and   name HG1# )   3.0  1.2 1.3    
assign (resid   16 and   name HA   )(resid   16 and   name HG2# )   2.5  0.7 1.7    
assign (resid   16 and   name HB   )(resid   16 and   name HA   )   3.0  1.2 0.3      
assign (resid   16 and   name HB   )(resid   16 and   name HN   )   2.5  0.7 0.2      
assign (resid   16 and   name HB   )(resid   16 and   name HG2# )   3.0  1.2 1.8    
assign (resid   16 and   name HN   )(resid   16 and   name HD#  )   3.0  1.2 1.8    
assign (resid   16 and   name HD#  )(resid   16 and   name HA   )   4.0  2.2 2.5    
assign (resid   16 and   name HD#  )(resid   16 and   name HB   )   3.0  1.2 1.8    
assign (resid   17 and   name HA   )(resid   17 and   name HB   )   3.0  1.2 0.3       
assign (resid   17 and   name HA   )(resid   17 and   name HN   )   3.0  1.2 0.5      
assign (resid   17 and   name HA   )(resid   17 and   name HG#  )   2.5  0.7 1.9    
assign (resid   17 and   name HB   )(resid   17 and   name HN   )   3.0  1.2 0.3      
assign (resid   17 and   name HN   )(resid   17 and   name HG#  )   2.5  0.7 1.9    
assign (resid   18 and   name HA   )(resid   18 and   name HN   )   3.0  1.2 0.3      
assign (resid   18 and   name HA   )(resid   18 and   name HB#  )   2.5  0.7 1.2    
assign (resid   18 and   name HN   )(resid   18 and   name HB#  )   3.0  1.2 0.9    
assign (resid   19 and   name HA   )(resid   19 and   name HN   )   3.0  1.2 0.3      
assign (resid   19 and   name HN   )(resid   19 and   name HG#  )   3.0  1.2 1.3    
assign (resid   19 and   name HE#  )(resid   19 and   name HA   )   3.0  1.2 1.3    
assign (resid   19 and   name HG#  )(resid   19 and   name HA   )   4.0  2.2 2.0    
assign (resid   20 and   name HA   )(resid   20 and   name HN   )   3.0  1.2 0.3      
assign (resid   20 and   name HA   )(resid   20 and   name HB#  )   2.5  0.7 1.2    
assign (resid   20 and   name HN   )(resid   20 and   name HD2# )   3.0  1.2 1.8    
assign (resid   20 and   name HB#  )(resid   20 and   name HN   )   4.0  2.2 1.6    
assign (resid   20 and   name HD#  )(resid   20 and   name HA   )   2.5  0.7 1.9    
assign (resid   20 and   name HD1# )(resid   20 and   name HN   )   3.0  1.2 1.8    
assign (resid   22 and   name HA   )(resid   22 and   name HB   )   3.0  1.2 0.3       
assign (resid   22 and   name HA   )(resid   22 and   name HN   )   3.0  1.2 0.3      
assign (resid   22 and   name HA   )(resid   22 and   name HG#  )   3.0  1.2 2.0    
assign (resid   22 and   name HB   )(resid   22 and   name HN   )   3.0  1.2 0.5       
assign (resid   22 and   name HG#  )(resid   22 and   name HB   )   2.5  0.7 1.9    
assign (resid   23 and   name HA   )(resid   23 and   name HN   )   3.0  1.2 0.3      
assign (resid   23 and   name HA   )(resid   23 and   name HB#  )   2.5  0.7 1.2    
assign (resid   24 and   name HA   )(resid   24 and   name HN   )   3.0  1.2 0.3      
assign (resid   24 and   name HA   )(resid   24 and   name HB#  )   2.5  0.7 1.2    
assign (resid   24 and   name HA   )(resid   24 and   name HG#  )   2.5  0.7 1.2    
assign (resid   24 and   name HN   )(resid   24 and   name HG#  )   2.5  0.7 1.2    
assign (resid   24 and   name HB#  )(resid   24 and   name HN   )   3.0  1.2 0.9    
assign (resid   24 and   name HG#  )(resid   24 and   name HA   )   4.0  2.2 2.0    
assign (resid   25 and   name HA   )(resid   25 and   name HN   )   3.0  1.2 0.3      
assign (resid   25 and   name HA   )(resid   25 and   name HB#  )   2.5  0.7 1.7    
assign (resid   26 and   name HA   )(resid   26 and   name HN   )   2.5  0.7 0.2      
assign (resid   26 and   name HA   )(resid   26 and   name HB#  )   2.5  0.7 1.2    
assign (resid   27 and   name HA   )(resid   27 and   name HB   )   3.0  1.2 0.3      
assign (resid   27 and   name HA   )(resid   27 and   name HN   )   3.0  1.2 0.3      
assign (resid   27 and   name HA   )(resid   27 and   name HG#  )   2.5  0.7 1.9    
assign (resid   27 and   name HB   )(resid   27 and   name HN   )   2.5  0.7 0.2      
assign (resid   27 and   name HN   )(resid   27 and   name HG#  )   2.5  0.7 1.9    
assign (resid   28 and   name HA   )(resid   28 and   name HN   )   3.0  1.2 0.3      
assign (resid   28 and   name HN   )(resid   28 and   name HB#  )   3.0  1.2 0.9    
assign (resid   28 and   name HN   )(resid   28 and   name HG#  )   2.5  0.7 1.2    
assign (resid   28 and   name HD#  )(resid   28 and   name HN   )   4.0  2.2 2.0    
assign (resid   29 and   name HA   )(resid   29 and   name HN   )   3.0  1.2 0.3      
assign (resid   29 and   name HA   )(resid   29 and   name HB#  )   3.0  1.2 1.3    
assign (resid   29 and   name HA   )(resid   29 and   name HD1# )   3.0  1.2 1.8    
assign (resid   29 and   name HA   )(resid   29 and   name HD2# )   3.0  1.2 1.8    
assign (resid   29 and   name HG   )(resid   29 and   name HA   )   4.0  2.2 1.0      
assign (resid   29 and   name HG   )(resid   29 and   name HN   )   3.0  1.2 0.3      
assign (resid   29 and   name HB#  )(resid   29 and   name HN   )   3.0  1.2 0.9    
assign (resid   29 and   name HD1# )(resid   29 and   name HN   )   4.0  2.2 2.5     
assign (resid   29 and   name HD2# )(resid   29 and   name HN   )   3.0  1.2 1.8    
assign (resid   30 and   name HA   )(resid   30 and   name HN   )   3.0  1.2 0.3      
assign (resid   30 and   name HA   )(resid   30 and   name HG#  )   2.5  0.7 1.2    
assign (resid   30 and   name HN   )(resid   30 and   name HG#  )   2.5  0.7 1.2    
assign (resid   31 and   name HA   )(resid   31 and   name HN   )   3.0  1.2 0.3      
assign (resid   31 and   name HA   )(resid   31 and   name HB#  )   2.5  0.7 1.7    
assign (resid   32 and   name HB#  )(resid   32 and   name HA   )   2.5  0.7 1.2    
assign (resid   32 and   name HN   )(resid   32 and   name HA   )   3.0  1.2 0.3      
assign (resid   33 and   name HA   )(resid   33 and   name HN   )   3.0  1.2 0.3      
assign (resid   33 and   name HA   )(resid   33 and   name HB#  )   2.5  0.7 1.2    
assign (resid   33 and   name HA   )(resid   33 and   name HD#  )   3.0  1.2 2.3    
assign (resid   33 and   name HD#  )(resid   33 and   name HN   )   4.0  2.2 3.0    
assign (resid   34 and   name HA   )(resid   34 and   name HN   )   3.0  1.2 0.3      
assign (resid   34 and   name HA   )(resid   34 and   name HB#  )   2.5  0.7 1.2    
assign (resid   34 and   name HA   )(resid   34 and   name HG#  )   3.0  1.2 1.3    
assign (resid   34 and   name HN   )(resid   34 and   name HG#  )   3.0  1.2 1.3    
assign (resid   34 and   name HG#  )(resid   34 and   name HA   )   4.0  2.2 2.0    
assign (resid   35 and   name HA   )(resid   35 and   name HN   )   3.0  1.2 0.3      
assign (resid   35 and   name HA   )(resid   35 and   name HB#  )   2.5  0.7 1.2    
assign (resid   35 and   name HA   )(resid   35 and   name HG#  )   2.5  0.7 1.2    
assign (resid   35 and   name HN   )(resid   35 and   name HG#  )   3.0  1.2 1.3    
assign (resid   35 and   name HG#  )(resid   35 and   name HA   )   3.0  1.2 1.3    
assign (resid   36 and   name HA   )(resid   36 and   name HN   )   3.0  1.2 0.3      
assign (resid   36 and   name HA   )(resid   36 and   name HB#  )   2.5  0.7 1.2    
assign (resid   37 and   name HA   )(resid   37 and   name HN   )   3.0  1.2 0.3      
assign (resid   37 and   name HA   )(resid   37 and   name HG   )   4.0  1.2 1.0      
assign (resid   37 and   name HA   )(resid   37 and   name HD1# )   3.0  1.2 1.8    
assign (resid   37 and   name HA   )(resid   37 and   name HD2# )   3.0  1.2 1.8    
assign (resid   37 and   name HD1# )(resid   37 and   name HN   )   3.0  1.2 1.8    
assign (resid   37 and   name HD2# )(resid   37 and   name HN   )   3.0  1.2 1.8    
assign (resid   37 and   name HD1# )(resid   37 and   name HB#  )   3.0  1.2 2.8    
assign (resid   39 and   name HA   )(resid   39 and   name HN   )   3.0  1.2 0.3      
assign (resid   39 and   name HA   )(resid   39 and   name HB#  )   2.5  0.7 1.7    
assign (resid   40 and   name HA   )(resid   40 and   name HN   )   3.0  1.2 0.3      
assign (resid   40 and   name HA   )(resid   40 and   name HB#  )   2.5  0.7 1.2    
assign (resid   40 and   name HN   )(resid   40 and   name HB#  )   3.0  1.2 0.9    
assign (resid   41 and   name HA   )(resid   41 and   name HN   )   3.0  1.2 0.3      
assign (resid   41 and   name HB#  )(resid   41 and   name HN   )   3.0  1.2 0.9    
assign (resid   42 and   name HA   )(resid   42 and   name HG   )   3.0  1.2 0.3      
assign (resid   42 and   name HA   )(resid   42 and   name HN   )   3.0  1.2 0.3      
assign (resid   42 and   name HA   )(resid   42 and   name HB#  )   2.5  0.7 1.2    
assign (resid   42 and   name HA   )(resid   42 and   name HD#  )   2.5  0.7 1.9    
assign (resid   42 and   name HG   )(resid   42 and   name HN   )   4.0  2.2 1.0      
assign (resid   42 and   name HN   )(resid   42 and   name HD#  )   4.0  2.2 2.7    
assign (resid   42 and   name HB#  )(resid   42 and   name HA   )   2.5  0.7 1.2    
assign (resid   43 and   name HA   )(resid   43 and   name HN   )   3.0  1.2 0.3      
assign (resid   43 and   name HA   )(resid   43 and   name HB#  )   2.5  0.7 1.2    
assign (resid   43 and   name HA   )(resid   43 and   name HB#  )   3.0  1.2 1.3    
assign (resid   43 and   name HB#  )(resid   43 and   name HN   )   3.0  1.2 0.9    
assign (resid   44 and   name HA   )(resid   44 and   name HB   )   3.0  1.2 0.3      
assign (resid   44 and   name HA   )(resid   44 and   name HN   )   3.0  1.2 0.3      
assign (resid   44 and   name HB   )(resid   44 and   name HN   )   3.0  1.2 0.3      
assign (resid   44 and   name HN   )(resid   44 and   name HG#  )   3.0  1.2 2.0    
assign (resid   45 and   name HA   )(resid   45 and   name HB   )   3.0  1.2 0.3       
assign (resid   45 and   name HA   )(resid   45 and   name HG1# )       2.5  0.2 1.7 
assign (resid   45 and   name HA   )(resid   45 and   name HG1# )       2.5  0.2 1.7 
assign (resid   45 and   name HA   )(resid   45 and   name HN   )   3.0  1.2 0.5      
assign (resid   46 and   name HA   )(resid   46 and   name HN   )   3.0  1.2 0.3      
assign (resid   46 and   name HB#  )(resid   46 and   name HA   )   2.5  0.7 1.2    
assign (resid   46 and   name HG#  )(resid   46 and   name HA   )   3.0  1.2 1.3    
assign (resid   46 and   name HG#  )(resid   46 and   name HN   )   3.0  1.2 1.3    
assign (resid   47 and   name HA   )(resid   47 and   name HN   )   3.0  1.2 0.3      
assign (resid   47 and   name HA   )(resid   47 and   name HB#  )   2.5  0.7 1.2    
assign (resid   47 and   name HA   )(resid   47 and   name HD#  )   2.5  0.7 1.9    
assign (resid   47 and   name HG   )(resid   47 and   name HA   )   4.0  2.2 1.0      
assign (resid   47 and   name HB#  )(resid   47 and   name HN   )   3.0  1.2 0.9    
assign (resid   47 and   name HD1# )(resid   47 and   name HA   )   3.0  1.2 1.8    
assign (resid   47 and   name HD2# )(resid   47 and   name HA   )   3.0  1.2 1.8    
assign (resid   48 and   name HA   )(resid   48 and   name HB   )   3.0  1.2 0.3      
assign (resid   48 and   name HA   )(resid   48 and   name HN   )   3.0  1.2 0.3      
assign (resid   48 and   name HA   )(resid   48 and   name HG#  )   2.5  0.7 1.9    
assign (resid   48 and   name HB   )(resid   48 and   name HN   )   2.5  0.7 0.2      
assign (resid   48 and   name HB   )(resid   48 and   name HG#  )   2.5  0.7 1.9    
assign (resid   48 and   name HN   )(resid   48 and   name HG#  )   2.5  0.7 1.9    
assign (resid   49 and   name HA   )(resid   49 and   name HN   )   3.0  1.2 0.3      
assign (resid   49 and   name HA   )(resid   49 and   name HE#  )   3.0  1.2 1.8    
assign (resid   49 and   name HN   )(resid   49 and   name HG#  )   2.5  0.7 1.2    
assign (resid   49 and   name HB#  )(resid   49 and   name HA   )   3.0  1.2 1.3    
assign (resid   49 and   name HB#  )(resid   49 and   name HG#  )   2.5  0.7 2.2    
assign (resid   49 and   name HG#  )(resid   49 and   name HA   )   4.0  2.2 2.0    
assign (resid   49 and   name HG#  )(resid   49 and   name HN   )   3.0  1.2 1.3    
assign (resid   50 and   name HA   )(resid   50 and   name HN   )   3.0  1.2 0.3      
assign (resid   50 and   name HA   )(resid   50 and   name HB#  )   2.5  0.7 1.2    
assign (resid   50 and   name HA   )(resid   50 and   name HG#  )   2.5  0.7 1.2    
assign (resid   50 and   name HN   )(resid   50 and   name HG#  )   3.0  1.2 1.3    
assign (resid   50 and   name HB#  )(resid   50 and   name HN   )   3.0  1.2 0.9    
assign (resid   50 and   name HG#  )(resid   50 and   name HN   )   4.0  2.2 2.0    
assign (resid   51 and   name HA   )(resid   51 and   name HN   )   3.0  1.2 0.3      
assign (resid   51 and   name HA   )(resid   51 and   name HB#  )   2.5  0.7 1.2    
assign (resid   51 and   name HA   )(resid   51 and   name HD1# )   3.0  1.2 1.8    
assign (resid   51 and   name HA   )(resid   51 and   name HD2# )   3.0  1.2 1.8    
assign (resid   51 and   name HG   )(resid   51 and   name HN   )   4.0  2.2 1.0      
assign (resid   51 and   name HN   )(resid   51 and   name HB#  )   3.0  1.2 0.9    
assign (resid   52 and   name HA   )(resid   52 and   name HN   )   3.0  1.2 0.3      
assign (resid   52 and   name HA   )(resid   52 and   name HB#  )   2.5  0.7 1.2    
assign (resid   52 and   name HA   )(resid   52 and   name HG#  )   2.5  0.7 1.2    
assign (resid   52 and   name HN   )(resid   52 and   name HG#  )   2.5  0.7 1.2    
assign (resid   52 and   name HG#  )(resid   52 and   name HN   )   3.0  1.2 1.3    
assign (resid   53 and   name HA   )(resid   53 and   name HN   )   3.0  1.2 0.3      
assign (resid   53 and   name HA   )(resid   53 and   name HB#  )   2.5  0.7 1.2    
assign (resid   54 and   name HA   )(resid   54 and   name HN   )   3.0  1.2 0.3      
assign (resid   54 and   name HB#  )(resid   54 and   name HA   )   2.5  0.7 1.2    
assign (resid   54 and   name HB#  )(resid   54 and   name HN   )   3.0  1.2 0.9    
assign (resid   54 and   name HG#  )(resid   54 and   name HA   )   4.0  2.2 2.0    
assign (resid   54 and   name HG#  )(resid   54 and   name HN   )   4.0  2.2 2.0    
assign (resid   55 and   name HA   )(resid   55 and   name HN   )   3.0  1.2 0.3      
assign (resid   55 and   name HA   )(resid   55 and   name HB#  )   2.5  0.7 1.2    
assign (resid   55 and   name HA   )(resid   55 and   name HD#  )   2.5  0.7 2.2    
assign (resid   55 and   name HB#  )(resid   55 and   name HN   )   3.0  1.2 0.9    
assign (resid   55 and   name HB#  )(resid   55 and   name HE#  )   4.0  2.2 4.0    
assign (resid   55 and   name HD#  )(resid   55 and   name HA   )   4.0  2.2 3.0    
assign (resid   55 and   name HD#  )(resid   55 and   name HN   )   3.0  1.2 2.3    
assign (resid   55 and   name HD#  )(resid   55 and   name HB#  )   3.0  1.2 3.3    
assign (resid   56 and   name HA   )(resid   56 and   name HN   )   3.0  1.2 0.3      
assign (resid   56 and   name HA   )(resid   56 and   name HB#  )   2.5  0.7 1.2    
assign (resid   57 and   name HA   )(resid   57 and   name HN   )   3.0  1.2 0.3      
assign (resid   57 and   name HN   )(resid   57 and   name HB#  )   3.0  1.2 0.9    
assign (resid   57 and   name HB#  )(resid   57 and   name HA   )   3.0  1.2 1.3    
assign (resid   57 and   name HG#  )(resid   57 and   name HN   )   3.0  1.2 1.3    
assign (resid   58 and   name HA   )(resid   58 and   name HN   )   3.0  1.2 0.3      
assign (resid   58 and   name HN   )(resid   58 and   name HG#  )   2.5  0.7 1.2    
assign (resid   59 and   name HA   )(resid   59 and   name HB   )   3.0  1.2 0.3       
assign (resid   59 and   name HA   )(resid   59 and   name HN   )   3.0  1.2 0.5      
assign (resid   59 and   name HA   )(resid   59 and   name HG2# )   2.5  0.7 1.7    
assign (resid   59 and   name HA   )(resid   59 and   name HG1# )   2.5  0.7 1.2    
assign (resid   59 and   name HB   )(resid   59 and   name HN   )   3.0  1.2 0.3      
assign (resid   59 and   name HB   )(resid   59 and   name HD#  )   2.5  0.7 1.7    
assign (resid   59 and   name HD#  )(resid   59 and   name HN   )   4.0  2.2 2.5    
assign (resid   60 and   name HA   )(resid   60 and   name HN   )   3.0  1.2 0.3      
assign (resid   60 and   name HA   )(resid   60 and   name HB#  )   2.5  0.7 1.2    
assign (resid   61 and   name HA   )(resid   61 and   name HN   )   3.0  1.2 0.3      
assign (resid   61 and   name HA   )(resid   61 and   name HB#  )   2.5  0.7 1.2    
assign (resid   62 and   name HA   )(resid   62 and   name HN   )   3.0  1.2 0.3      
assign (resid   62 and   name HA   )(resid   62 and   name HG#  )   2.5  0.7 1.2    
assign (resid   62 and   name HN   )(resid   62 and   name HG#  )   3.0  1.2 1.3    
assign (resid   62 and   name HB#  )(resid   62 and   name HA   )   2.5  0.7 1.2    
assign (resid   62 and   name HG#  )(resid   62 and   name HA   )   3.0  1.2 1.3    
assign (resid   63 and   name HA   )(resid   63 and   name HN   )   3.0  1.2 0.3      
assign (resid   63 and   name HA   )(resid   63 and   name HB#  )   3.0  1.2 1.3    
assign (resid   63 and   name HB#  )(resid   63 and   name HN   )   3.0  1.2 0.9    
assign (resid   64 and   name HA   )(resid   64 and   name HN   )   3.0  1.2 0.3      
assign (resid   64 and   name HA   )(resid   64 and   name HB#  )   2.5  0.7 1.7    
assign (resid   65 and   name HA   )(resid   65 and   name HN   )   3.0  1.2 0.3      
assign (resid   65 and   name HN   )(resid   65 and   name HG#  )   3.0  1.2 1.3    
assign (resid   65 and   name HB#  )(resid   65 and   name HA   )   2.5  0.7 1.2    
assign (resid   65 and   name HG#  )(resid   65 and   name HA   )   3.0  1.2 1.3    
assign (resid   66 and   name HA   )(resid   66 and   name HN   )   3.0  1.2 0.3      
assign (resid   66 and   name HA   )(resid   66 and   name HB#  )   2.5  0.7 1.2    
assign (resid   66 and   name HA   )(resid   66 and   name HG#  )   2.5  0.7 1.2    
assign (resid   66 and   name HB#  )(resid   66 and   name HN   )   3.0  1.2 0.9    
assign (resid   66 and   name HG#  )(resid   66 and   name HN   )   4.0  2.2 2.0    
assign (resid   67 and   name HA   )(resid   67 and   name HB   )   3.0  1.2 0.3      
assign (resid   67 and   name HA   )(resid   67 and   name HN   )   3.0  1.2 0.3      
assign (resid   67 and   name HA   )(resid   67 and   name HD#  )   3.0  1.2 1.8    
assign (resid   67 and   name HA   )(resid   67 and   name HG1# )   3.0  1.2 1.3    
assign (resid   67 and   name HA   )(resid   67 and   name HG2# )   2.5  0.7 1.7    
assign (resid   67 and   name HB   )(resid   67 and   name HN   )   3.0  1.2 0.3      
assign (resid   67 and   name HB   )(resid   67 and   name HD#  )   3.0  1.2 1.8    
assign (resid   67 and   name HB   )(resid   67 and   name HG1# )   4.0  2.2 2.0    
assign (resid   67 and   name HB   )(resid   67 and   name HG2# )   3.0  1.2 1.8    
assign (resid   67 and   name HG1# )(resid   67 and   name HN   )   3.0  1.2 1.3    
assign (resid   67 and   name HG2# )(resid   67 and   name HN   )   4.0  2.2 2.5    
assign (resid   68 and   name HB#  )(resid   68 and   name HA   )   2.5  0.7 1.7    
assign (resid   68 and   name HN   )(resid   68 and   name HA   )   3.0  1.2 0.3      
assign (resid   69 and   name HA   )(resid   69 and   name HB   )   2.5  0.7 0.2      
assign (resid   69 and   name HA   )(resid   69 and   name HN   )   3.0  1.2 0.3      
assign (resid   69 and   name HA   )(resid   69 and   name HG2# )   2.5  0.7 1.9     
assign (resid   69 and   name HB   )(resid   69 and   name HN   )   4.0  2.2 1.0      
assign (resid   69 and   name HG2# )(resid   69 and   name HN   )   2.5  0.7 1.9    
assign (resid   70 and   name HA   )(resid   70 and   name HB   )   3.0  1.2 0.3      
assign (resid   70 and   name HA   )(resid   70 and   name HN   )   3.0  1.2 0.3      
assign (resid   70 and   name HA   )(resid   70 and   name HG#  )   2.5  0.7 1.9    
assign (resid   70 and   name HB   )(resid   70 and   name HN   )   3.0  1.2 0.3      
assign (resid   70 and   name HG#  )(resid   70 and   name HA   )   2.5  0.7 1.9    
assign (resid   70 and   name HG#  )(resid   70 and   name HB   )   2.5  0.7 1.9    
assign (resid   70 and   name HG#  )(resid   70 and   name HN   )   2.5  0.7 1.9    
assign (resid   70 and   name HG#  )(resid   70 and   name HN   )   4.0  2.2 2.7    
assign (resid   72 and   name HA   )(resid   72 and   name HN   )   3.0  1.2 0.3      
assign (resid   72 and   name HA   )(resid   72 and   name HB#  )   2.5  0.7 1.2    
assign (resid   73 and   name HA   )(resid   73 and   name HN   )   3.0  1.2 0.3      
assign (resid   73 and   name HA   )(resid   73 and   name HB#  )   2.5  0.7 1.7    
assign (resid   73 and   name HB#  )(resid   73 and   name HA   )   2.5  0.7 1.7    
assign (resid   74 and   name HA   )(resid   74 and   name HB   )   3.0  1.2 0.3      
assign (resid   74 and   name HA   )(resid   74 and   name HN   )   3.0  1.2 0.3      
assign (resid   74 and   name HB   )(resid   74 and   name HA   )   4.0  2.2 1.0      
assign (resid   74 and   name HB   )(resid   74 and   name HN   )   2.5  0.7 0.2      
assign (resid   74 and   name HN   )(resid   74 and   name HG#  )   2.5  0.7 1.9    
assign (resid   74 and   name HG#  )(resid   74 and   name HA   )   2.5  0.7 1.9    
assign (resid   75 and   name HA   )(resid   75 and   name HN   )   3.0  1.2 0.3      
assign (resid   75 and   name HA   )(resid   75 and   name HB#  )   2.5  0.7 1.2    
assign (resid   75 and   name HB#  )(resid   75 and   name HA   )   2.5  0.7 1.2    
assign (resid   75 and   name HB#  )(resid   75 and   name HD21 )   3.0  1.2 2.3    
assign (resid   75 and   name HB#  )(resid   75 and   name HD21 )   4.0  2.2 3.0    
assign (resid   75 and   name HB#  )(resid   75 and   name HD22 )   4.0  2.2 3.0    
assign (resid   76 and   name HA   )(resid   76 and   name HN   )   3.0  1.2 0.3      
assign (resid   76 and   name HA   )(resid   76 and   name HB#  )   2.5  0.7 1.2    
assign (resid   76 and   name HA   )(resid   76 and   name HD#  )   2.5  0.7 2.2    
assign (resid   77 and   name HA   )(resid   77 and   name HN   )   3.0  1.2 0.3      
assign (resid   77 and   name HA   )(resid   77 and   name HG1# )   2.5  0.7 1.2    
assign (resid   77 and   name HA   )(resid   77 and   name HG2# )   2.5  0.7 1.7    
assign (resid   77 and   name HB   )(resid   77 and   name HA   )   3.0  1.2 0.3      
assign (resid   77 and   name HB   )(resid   77 and   name HN   )   3.0  1.2 0.3      
assign (resid   77 and   name HB   )(resid   77 and   name HG2# )   2.5  0.7 1.7    
assign (resid   77 and   name HD#  )(resid   77 and   name HA   )   3.0  1.2 1.8    
assign (resid   77 and   name HD#  )(resid   77 and   name HN   )   4.0  2.2 2.5    
assign (resid   77 and   name HG1# )(resid   77 and   name HB   )   2.5  0.7 1.2    
assign (resid   78 and   name HA   )(resid   78 and   name HN   )   3.0  1.2 0.3      
assign (resid   78 and   name HG#  )(resid   78 and   name HA   )   3.0  1.2 1.3    
assign (resid   78 and   name HG#  )(resid   78 and   name HN   )   3.0  1.2 1.3    
assign (resid   78 and   name HE21 )(resid   78 and   name HB#  )   4.0  2.2 3.0    
assign (resid   78 and   name HE21 )(resid   78 and   name HG#  )   4.0  2.2 3.0    
assign (resid   79 and   name HA   )(resid   79 and   name HN   )   3.0  1.2 0.3      
assign (resid   79 and   name HA   )(resid   79 and   name HB#  )   2.5  0.7 1.2    
assign (resid   79 and   name HB#  )(resid   79 and   name HD22 )   4.0  2.2 3.0    
assign (resid   80 and   name HA   )(resid   80 and   name HN   )   3.0  1.2 0.3      
assign (resid   80 and   name HN   )(resid   80 and   name HG#  )   2.5  0.7 1.2    
assign (resid   80 and   name HB#  )(resid   80 and   name HA   )   3.0  1.2 1.3    
assign (resid   80 and   name HG#  )(resid   80 and   name HN   )   4.0  2.2 2.0    
assign (resid   80 and   name HG#  )(resid   80 and   name HE21 )   4.0  2.2 3.0    
assign (resid   80 and   name HG#  )(resid   80 and   name HE22 )   4.0  2.2 3.0    
assign (resid   81 and   name HA   )(resid   81 and   name HN   )   3.0  1.2 0.3      
assign (resid   81 and   name HA   )(resid   81 and   name HB#  )   2.5  0.7 1.2    
assign (resid   81 and   name HA   )(resid   81 and   name HB#  )   3.0  1.2 1.3    
assign (resid   81 and   name HN   )(resid   81 and   name HB#  )   3.0  1.2 0.9    
assign (resid   81 and   name HN   )(resid   81 and   name HG#  )   2.5  0.7 1.2    
assign (resid   81 and   name HG#  )(resid   81 and   name HE21 )   4.0  2.2 2.0    
! sequential
assign (resid    5 and   name HA   )(resid    6 and   name HN   )   4.0  2.2 1.0      
assign (resid    5 and   name HB#  )(resid    6 and   name HN   )   4.0  2.2 2.0    
assign (resid    6 and   name HA   )(resid    7 and   name HN   )   3.0  1.2 0.5      
assign (resid    6 and   name HN   )(resid    7 and   name HN   )   3.0  1.2 0.3      
assign (resid    6 and   name HB#  )(resid    7 and   name HN   )   3.0  1.2 1.8    
assign (resid    7 and   name HA   )(resid    8 and   name HN   )   3.0  1.2 0.5      
assign (resid    7 and   name HB#  )(resid    8 and   name HN   )   2.5  0.7 1.2    
assign (resid    8 and   name HA   )(resid    9 and   name HN   )   3.0  1.2 0.5      
assign (resid    8 and   name HB   )(resid    9 and   name HN   )   3.0  1.2 0.5      
assign (resid    8 and   name HN   )(resid    9 and   name HN   )   3.0  1.2 0.3      
assign (resid    8 and   name HG#  )(resid    9 and   name HN   )   4.0  2.2 2.0    
assign (resid    9 and   name HA   )(resid   10 and   name HN   )   3.0  1.2 0.5      
assign (resid    9 and   name HN   )(resid   10 and   name HN   )   3.0  1.2 0.3      
assign (resid    9 and   name HB#  )(resid   10 and   name HN   )   2.5  0.7 1.2    
assign (resid   10 and   name HA   )(resid   11 and   name HN   )   3.0  1.2 0.5      
assign (resid   10 and   name HN   )(resid   11 and   name HN   )   3.0  1.2 0.3      
assign (resid   11 and   name HA   )(resid   12 and   name HN   )   3.0  1.2 0.5      
assign (resid   11 and   name HN   )(resid   12 and   name HN   )   3.0  1.2 0.3      
assign (resid   11 and   name HG#  )(resid   12 and   name HN   )   3.0  1.2 1.3    
assign (resid   12 and   name HA   )(resid   13 and   name HN   )   3.0  1.2 0.5      
assign (resid   12 and   name HB   )(resid   13 and   name HN   )   3.0  1.2 0.5      
assign (resid   12 and   name HN   )(resid   13 and   name HB   )   4.0  2.2 1.0      
assign (resid   12 and   name HN   )(resid   13 and   name HN   )   3.0  1.2 0.5      
assign (resid   13 and   name HA   )(resid   14 and   name HN   )   3.0  1.2 0.5      
assign (resid   13 and   name HB   )(resid   14 and   name HN   )   3.0  1.2 0.5      
assign (resid   13 and   name HN   )(resid   14 and   name HN   )   3.0  1.2 0.3      
assign (resid   13 and   name HG2# )(resid   14 and   name HN   )   3.0  1.2 1.8    
assign (resid   14 and   name HA   )(resid   15 and   name HN   )   3.0  1.2 0.5      
assign (resid   14 and   name HN   )(resid   15 and   name HN   )   3.0  1.2 0.5      
assign (resid   14 and   name HB#  )(resid   15 and   name HN   )   3.0  1.2 1.3    
assign (resid   15 and   name HA   )(resid   16 and   name HN   )   3.0  1.2 0.5      
assign (resid   15 and   name HN   )(resid   16 and   name HN   )   3.0  1.2 0.3      
assign (resid   15 and   name HG2# )(resid   16 and   name HN   )   4.0  2.2 2.5    
assign (resid   16 and   name HA   )(resid   17 and   name HN   )   3.0  1.2 0.5      
assign (resid   16 and   name HB   )(resid   17 and   name HN   )   3.0  1.2 0.5      
assign (resid   16 and   name HG#  )(resid   17 and   name HN   )   4.0  2.2 2.0    
assign (resid   17 and   name HA   )(resid   18 and   name HN   )   3.0  1.2 0.5      
assign (resid   17 and   name HB   )(resid   18 and   name HN   )   3.0  1.2 0.5      
assign (resid   17 and   name HN   )(resid   18 and   name HN   )   3.0  1.2 0.3      
assign (resid   18 and   name HA   )(resid   19 and   name HN   )   4.0  2.2 1.5      
assign (resid   18 and   name HA   )(resid   19 and   name HD#  )   3.0  1.2 1.3    
assign (resid   18 and   name HN   )(resid   19 and   name HN   )   3.0  1.2 0.3      
assign (resid   18 and   name HB#  )(resid   19 and   name HN   )   4.0  2.2 2.0    
assign (resid   19 and   name HA   )(resid   20 and   name HN   )   4.0  2.2 1.0      
assign (resid   19 and   name HN   )(resid   20 and   name HN   )   3.0  1.2 0.3      
assign (resid   19 and   name HB#  )(resid   20 and   name HN   )   4.0  2.2 2.0    
assign (resid   20 and   name HA   )(resid   21 and   name HN   )   3.0  1.2 0.5      
assign (resid   20 and   name HN   )(resid   21 and   name HN   )   3.0  1.2 0.3      
assign (resid   20 and   name HB#  )(resid   21 and   name HN   )   4.0  2.2 2.0    
assign (resid   21 and   name HN   )(resid   22 and   name HN   )   3.0  1.2 0.3      
assign (resid   21 and   name HN   )(resid   22 and   name HG#  )   4.0  2.2 3.4    
assign (resid   21 and   name HA#  )(resid   22 and   name HN   )   2.5  0.7 1.2    
assign (resid   22 and   name HA   )(resid   23 and   name HN   )   3.0  1.2 0.5      
assign (resid   22 and   name HB   )(resid   23 and   name HN   )   3.0  1.2 0.5      
assign (resid   23 and   name HA   )(resid   24 and   name HN   )   3.0  1.2 0.5      
assign (resid   23 and   name HB#  )(resid   24 and   name HN   )   4.0  2.2 2.0    
assign (resid   24 and   name HA   )(resid   25 and   name HN   )   4.0  2.2 1.0      
assign (resid   24 and   name HN   )(resid   25 and   name HN   )   3.0  1.2 0.3      
assign (resid   24 and   name HB#  )(resid   25 and   name HN   )   3.0  1.2 1.3    
assign (resid   25 and   name HA   )(resid   26 and   name HN   )   3.0  1.2 0.5      
assign (resid   25 and   name HN   )(resid   26 and   name HN   )   3.0  1.2 0.3      
assign (resid   25 and   name HB#  )(resid   26 and   name HN   )   3.0  1.2 1.8    
assign (resid   26 and   name HA   )(resid   27 and   name HN   )   3.0  1.2 0.5      
assign (resid   26 and   name HN   )(resid   27 and   name HN   )   3.0  1.2 0.3      
assign (resid   26 and   name HB#  )(resid   27 and   name HN   )   3.0  1.2 1.3    
assign (resid   27 and   name HA   )(resid   28 and   name HN   )   3.0  1.2 0.5      
assign (resid   27 and   name HB   )(resid   28 and   name HN   )   4.0  2.2 1.0      
assign (resid   27 and   name HN   )(resid   28 and   name HN   )   4.0  2.2 1.0      
assign (resid   28 and   name HA   )(resid   29 and   name HN   )   3.0  1.2 0.5      
assign (resid   28 and   name HB#  )(resid   29 and   name HN   )   2.5  0.7 1.2    
assign (resid   29 and   name HA   )(resid   30 and   name HN   )   4.0  2.2 1.0      
assign (resid   29 and   name HN   )(resid   30 and   name HN   )   4.0  2.2 1.0      
assign (resid   29 and   name HB#  )(resid   30 and   name HN   )   3.0  1.2 1.3    
assign (resid   30 and   name HA   )(resid   31 and   name HN   )   3.0  1.2 0.5      
assign (resid   30 and   name HA   )(resid   31 and   name HN   )   3.0  1.2 0.5      
assign (resid   30 and   name HN   )(resid   31 and   name HN   )   3.0  1.2 0.3      
assign (resid   30 and   name HB#  )(resid   31 and   name HN   )   3.0  1.2 1.3    
assign (resid   30 and   name HG#  )(resid   31 and   name HN   )   4.0  2.2 2.0    
assign (resid   31 and   name HA   )(resid   32 and   name HN   )   3.0  1.2 0.5      
assign (resid   31 and   name HA   )(resid   32 and   name HB#  )   4.0  2.2 2.0    
assign (resid   31 and   name HB#  )(resid   32 and   name HN   )   3.0  1.2 1.8    
assign (resid   32 and   name HA   )(resid   33 and   name HN   )   3.0  1.2 0.5      
assign (resid   32 and   name HN   )(resid   33 and   name HA   )   4.0  2.2 1.0      
assign (resid   32 and   name HB#  )(resid   33 and   name HN   )   3.0  1.2 1.3    
assign (resid   33 and   name HA   )(resid   34 and   name HN   )   4.0  2.2 1.0      
assign (resid   33 and   name HN   )(resid   34 and   name HN   )   3.0  1.2 0.3      
assign (resid   33 and   name HB#  )(resid   34 and   name HN   )   3.0  1.2 1.3    
assign (resid   34 and   name HN   )(resid   35 and   name HN   )   3.0  1.2 0.3      
assign (resid   34 and   name HB#  )(resid   35 and   name HN   )   2.5  0.7 1.2    
assign (resid   35 and   name HA   )(resid   36 and   name HN   )   4.0  2.2 1.0      
assign (resid   35 and   name HN   )(resid   36 and   name HN   )   3.0  1.2 0.3      
assign (resid   35 and   name HB#  )(resid   36 and   name HN   )   4.0  2.2 2.0    
assign (resid   35 and   name HG#  )(resid   36 and   name HN   )   3.0  1.2 1.3    
assign (resid   36 and   name HA   )(resid   37 and   name HN   )   4.0  2.2 1.0      
assign (resid   36 and   name HN   )(resid   37 and   name HN   )   3.0  1.2 0.3      
assign (resid   36 and   name HB#  )(resid   37 and   name HN   )   3.0  1.2 1.3    
assign (resid   37 and   name HA   )(resid   38 and   name HN   )   3.0  1.2 0.5      
assign (resid   37 and   name HG   )(resid   38 and   name HN   )   4.0  2.2 1.0      
assign (resid   37 and   name HB#  )(resid   38 and   name HN   )   4.0  2.2 2.0    
assign (resid   37 and   name HD#  )(resid   38 and   name HN   )   4.0  2.2 3.4    
assign (resid   38 and   name HN   )(resid   39 and   name HN   )   4.0  2.2 1.0       
assign (resid   38 and   name HN   )(resid   39 and   name HB#  )   4.0  2.2 2.5    
assign (resid   38 and   name HA#  )(resid   39 and   name HN   )   3.0  1.2 1.3    
assign (resid   39 and   name HA   )(resid   40 and   name HN   )   3.0  1.2 0.5      
assign (resid   39 and   name HB#  )(resid   40 and   name HN   )   3.0  1.2 1.8    
assign (resid   40 and   name HA   )(resid   41 and   name HN   )   3.0  1.2 0.5      
assign (resid   40 and   name HB#  )(resid   41 and   name HN   )   3.0  1.2 1.3    
assign (resid   41 and   name HA   )(resid   42 and   name HN   )   4.0  2.2 1.0      
assign (resid   41 and   name HN   )(resid   42 and   name HN   )   3.0  1.2 0.3      
assign (resid   41 and   name HB#  )(resid   42 and   name HN   )   4.0  2.2 2.0    
assign (resid   41 and   name HB#  )(resid   42 and   name HD#  )   4.0  2.2 4.4    
assign (resid   42 and   name HA   )(resid   43 and   name HN   )   3.0  1.2 0.5      
assign (resid   42 and   name HN   )(resid   43 and   name HN   )   3.0  1.2 0.3      
assign (resid   42 and   name HB#  )(resid   43 and   name HN   )   4.0  2.2 2.0    
assign (resid   43 and   name HA   )(resid   44 and   name HN   )   3.0  1.2 0.5      
assign (resid   43 and   name HN   )(resid   44 and   name HN   )   3.0  1.2 0.3      
assign (resid   43 and   name HB#  )(resid   44 and   name HN   )   3.0  1.2 1.3    
assign (resid   44 and   name HA   )(resid   45 and   name HN   )   3.0  1.2 0.5      
assign (resid   44 and   name HB   )(resid   45 and   name HN   )   2.5  0.7 0.4      
assign (resid   44 and   name HN   )(resid   45 and   name HN   )   3.0  1.2 0.3      
assign (resid   45 and   name HA   )(resid   46 and   name HN   )   3.0  1.2 0.5      
assign (resid   45 and   name HB   )(resid   46 and   name HN   )   3.0  1.2 0.5      
assign (resid   45 and   name HN   )(resid   46 and   name HN   )   3.0  1.2 0.3      
assign (resid   45 and   name HG#  )(resid   46 and   name HN   )   4.0  2.2 3.4    
assign (resid   46 and   name HA   )(resid   47 and   name HN   )   3.0  1.2 0.5      
assign (resid   46 and   name HN   )(resid   47 and   name HN   )   3.0  1.2 0.3      
assign (resid   46 and   name HB#  )(resid   47 and   name HN   )   3.0  1.2 1.3    
assign (resid   46 and   name HG#  )(resid   47 and   name HN   )   4.0  2.2 2.0    
assign (resid   47 and   name HA   )(resid   48 and   name HN   )   3.0  1.2 0.5      
assign (resid   48 and   name HB   )(resid   49 and   name HN   )   3.0  1.2 0.5      
assign (resid   48 and   name HN   )(resid   49 and   name HN   )   3.0  1.2 0.3      
assign (resid   48 and   name HG#  )(resid   49 and   name HN   )   4.0  2.2 3.4    
assign (resid   49 and   name HA   )(resid   50 and   name HN   )   3.0  1.2 0.5      
assign (resid   49 and   name HN   )(resid   50 and   name HN   )   3.0  1.2 0.3      
assign (resid   49 and   name HB#  )(resid   50 and   name HN   )   4.0  2.2 2.0    
assign (resid   50 and   name HA   )(resid   51 and   name HN   )   3.0  1.2 0.5      
assign (resid   50 and   name HN   )(resid   51 and   name HA   )   4.0  2.2 1.0      
assign (resid   50 and   name HN   )(resid   51 and   name HN   )   3.0  1.2 0.3      
assign (resid   50 and   name HB#  )(resid   51 and   name HN   )   3.0  1.2 1.3    
assign (resid   51 and   name HA   )(resid   52 and   name HN   )   3.0  1.2 0.5      
assign (resid   51 and   name HN   )(resid   52 and   name HN   )   3.0  1.2 0.3      
assign (resid   51 and   name HB#  )(resid   52 and   name HN   )   4.0  2.2 2.0    
assign (resid   52 and   name HA   )(resid   53 and   name HN   )   3.0  1.2 0.5      
assign (resid   52 and   name HN   )(resid   53 and   name HN   )   3.0  1.2 0.3      
assign (resid   52 and   name HB#  )(resid   53 and   name HN   )   3.0  1.2 1.3    
assign (resid   53 and   name HA   )(resid   54 and   name HN   )   3.0  1.2 0.5      
assign (resid   53 and   name HN   )(resid   54 and   name HN   )   3.0  1.2 0.3      
assign (resid   53 and   name HB#  )(resid   54 and   name HN   )   2.5  0.7 1.2    
assign (resid   54 and   name HA   )(resid   55 and   name HN   )   3.0  1.2 0.5      
assign (resid   54 and   name HN   )(resid   55 and   name HN   )   3.0  1.2 0.3      
assign (resid   54 and   name HB#  )(resid   55 and   name HN   )   3.0  1.2 1.3    
assign (resid   54 and   name HG#  )(resid   55 and   name HN   )   4.0  2.2 2.0    
assign (resid   55 and   name HA   )(resid   56 and   name HN   )   3.0  1.2 0.5      
assign (resid   55 and   name HN   )(resid   56 and   name HN   )   3.0  1.2 0.3      
assign (resid   55 and   name HB#  )(resid   56 and   name HN   )   3.0  1.2 1.3    
assign (resid   56 and   name HA   )(resid   57 and   name HN   )   3.0  1.2 0.5      
assign (resid   56 and   name HN   )(resid   57 and   name HN   )   3.0  1.2 0.3      
assign (resid   57 and   name HA   )(resid   58 and   name HN   )   3.0  1.2 0.5      
assign (resid   58 and   name HA   )(resid   59 and   name HN   )   3.0  1.2 0.5      
assign (resid   58 and   name HB#  )(resid   59 and   name HN   )   4.0  2.2 2.0    
assign (resid   59 and   name HA   )(resid   60 and   name HN   )   3.0  1.2 0.5      
assign (resid   59 and   name HB   )(resid   60 and   name HN   )   4.0  2.2 1.0      
assign (resid   59 and   name HD#  )(resid   60 and   name HN   )   4.0  2.2 2.5     
assign (resid   59 and   name HG#  )(resid   60 and   name HN   )   3.0  1.2 1.3    
assign (resid   60 and   name HA   )(resid   61 and   name HN   )   3.0  1.2 0.5      
assign (resid   60 and   name HB#  )(resid   61 and   name HN   )   3.0  1.2 1.3    
assign (resid   61 and   name HA   )(resid   62 and   name HN   )   3.0  1.2 0.5      
assign (resid   61 and   name HN   )(resid   62 and   name HN   )   3.0  1.2 0.3      
assign (resid   61 and   name HB#  )(resid   62 and   name HN   )   3.0  1.2 1.3    
assign (resid   62 and   name HA   )(resid   63 and   name HN   )   3.0  1.2 0.5      
assign (resid   62 and   name HN   )(resid   63 and   name HN   )   3.0  1.2 0.3      
assign (resid   62 and   name HB#  )(resid   63 and   name HN   )   4.0  2.2 2.0    
assign (resid   63 and   name HA   )(resid   64 and   name HN   )   3.0  1.2 0.5      
assign (resid   63 and   name HN   )(resid   64 and   name HN   )   3.0  1.2 0.3      
assign (resid   63 and   name HN   )(resid   64 and   name HB#  )   4.0  2.2 2.5    
assign (resid   63 and   name HB#  )(resid   64 and   name HN   )   3.0  1.2 1.3    
assign (resid   64 and   name HA   )(resid   65 and   name HN   )   3.0  1.2 0.5      
assign (resid   64 and   name HN   )(resid   65 and   name HN   )   3.0  1.2 0.3      
assign (resid   64 and   name HB#  )(resid   65 and   name HN   )   2.5  0.7 1.7    
assign (resid   65 and   name HA   )(resid   66 and   name HN   )   3.0  1.2 0.5      
assign (resid   65 and   name HN   )(resid   66 and   name HN   )   3.0  1.2 0.3      
assign (resid   65 and   name HB#  )(resid   66 and   name HN   )   2.5  0.7 1.2    
assign (resid   66 and   name HA   )(resid   67 and   name HN   )   3.0  1.2 0.5      
assign (resid   66 and   name HN   )(resid   67 and   name HN   )   3.0  1.2 0.3      
assign (resid   67 and   name HA   )(resid   68 and   name HN   )   3.0  1.2 0.5      
assign (resid   67 and   name HA   )(resid   68 and   name HB#  )   4.0  2.2 2.5    
assign (resid   67 and   name HG#  )(resid   68 and   name HN   )   4.0  2.2 2.0    
assign (resid   67 and   name HG#  )(resid   68 and   name HB#  )   3.0  1.2 2.8    
assign (resid   68 and   name HA   )(resid   69 and   name HN   )   3.0  1.2 0.5      
assign (resid   68 and   name HN   )(resid   69 and   name HN   )   4.0  2.2 1.0       
assign (resid   68 and   name HB#  )(resid   69 and   name HN   )   3.0  1.2 1.8    
assign (resid   68 and   name HB#  )(resid   69 and   name HG#  )   2.5  0.7 2.7    
assign (resid   69 and   name HA   )(resid   70 and   name HN   )   3.0  1.2 0.5      
assign (resid   69 and   name HA   )(resid   70 and   name HG#  )   4.0  2.2 3.4    
assign (resid   69 and   name HB   )(resid   70 and   name HN   )   3.0  1.2 0.5      
assign (resid   69 and   name HG#  )(resid   70 and   name HN   )   3.0  1.2 1.3    
assign (resid   70 and   name HA   )(resid   71 and   name HN   )   3.0  1.2 0.5      
assign (resid   70 and   name HB   )(resid   71 and   name HN   )   3.0  1.2 0.5      
assign (resid   70 and   name HN   )(resid   71 and   name HN   )   3.0  1.2 0.3      
assign (resid   70 and   name HG#  )(resid   71 and   name HN   )   4.0  2.2 3.4    
assign (resid   70 and   name HG#  )(resid   71 and   name HA#  )   4.0  2.2 4.4    
assign (resid   71 and   name HN   )(resid   72 and   name HN   )   3.0  1.2 0.3      
assign (resid   71 and   name HA#  )(resid   72 and   name HN   )   2.5  0.7 1.2    
assign (resid   72 and   name HA   )(resid   73 and   name HN   )   3.0  1.2 0.5      
assign (resid   72 and   name HN   )(resid   73 and   name HN   )   3.0  1.2 0.3      
assign (resid   72 and   name HB#  )(resid   73 and   name HN   )   3.0  1.2 1.3    
assign (resid   73 and   name HA   )(resid   74 and   name HN   )   3.0  1.2 0.5      
assign (resid   73 and   name HN   )(resid   74 and   name HN   )   3.0  1.2 0.3      
assign (resid   73 and   name HB#  )(resid   74 and   name HN   )   2.5  0.7 1.7    
assign (resid   74 and   name HA   )(resid   75 and   name HN   )   3.0  1.2 0.5      
assign (resid   74 and   name HB   )(resid   75 and   name HN   )   3.0  1.2 0.5      
assign (resid   74 and   name HN   )(resid   75 and   name HN   )   3.0  1.2 0.3      
assign (resid   75 and   name HA   )(resid   76 and   name HN   )   3.0  1.2 0.5      
assign (resid   75 and   name HN   )(resid   76 and   name HN   )   3.0  1.2 0.3      
assign (resid   75 and   name HB#  )(resid   76 and   name HN   )   3.0  1.2 1.3    
assign (resid   76 and   name HA   )(resid   77 and   name HN   )   3.0  1.2 0.5      
assign (resid   76 and   name HB#  )(resid   77 and   name HN   )   3.0  1.2 1.3    
assign (resid   76 and   name HD#  )(resid   77 and   name HA   )   3.0  1.2 2.3    
assign (resid   76 and   name HD#  )(resid   77 and   name HG1# )   4.0  2.2 4.5    
assign (resid   76 and   name HD#  )(resid   77 and   name HG2# )   4.0  2.2 4.5    
assign (resid   77 and   name HA   )(resid   78 and   name HN   )   3.0  1.2 0.5      
assign (resid   77 and   name HB   )(resid   78 and   name HN   )   3.0  1.2 0.3      
assign (resid   77 and   name HN   )(resid   78 and   name HN   )   3.0  1.2 0.3      
assign (resid   77 and   name HD#  )(resid   78 and   name HN   )   3.0  1.2 1.8    
assign (resid   77 and   name HG2# )(resid   78 and   name HA   )   4.0  2.2 2.5    
assign (resid   77 and   name HG2# )(resid   78 and   name HN   )   4.0  2.2 2.5    
assign (resid   78 and   name HA   )(resid   79 and   name HN   )   3.0  1.2 0.5      
assign (resid   78 and   name HN   )(resid   79 and   name HN   )   3.0  1.2 0.3      
assign (resid   78 and   name HB#  )(resid   79 and   name HN   )   2.5  0.7 1.2    
assign (resid   79 and   name HA   )(resid   80 and   name HN   )   3.0  1.2 0.5      
assign (resid   79 and   name HN   )(resid   80 and   name HN   )   3.0  1.2 0.3      
assign (resid   79 and   name HB#  )(resid   80 and   name HN   )   3.0  1.2 1.3    
assign (resid   80 and   name HA   )(resid   81 and   name HN   )   3.0  1.2 0.5      
! short 
assign (resid    9 and   name HA   )(resid   11 and   name HN   )   4.0  2.2 1.0      
assign (resid   11 and   name HG#  )(resid   13 and   name HN   )   4.0  2.2 2.0    
assign (resid   12 and   name HA   )(resid   14 and   name HN   )   4.0  2.2 1.0      
assign (resid   14 and   name HA   )(resid   16 and   name HN   )   4.0  2.2 1.0      
assign (resid   16 and   name HB   )(resid   18 and   name HN   )   4.0  2.2 1.0       
assign (resid   19 and   name HA   )(resid   21 and   name HN   )   4.0  2.2 1.0      
assign (resid   20 and   name HN   )(resid   22 and   name HN   )   4.0  2.2 1.0      
assign (resid   20 and   name HB#  )(resid   22 and   name HN   )   4.0  2.2 2.0    
assign (resid   23 and   name HB#  )(resid   25 and   name HN   )   4.0  2.2 2.0    
assign (resid   24 and   name HA   )(resid   26 and   name HN   )   4.0  2.2 1.0      
assign (resid   25 and   name HA   )(resid   27 and   name HN   )   4.0  2.2 1.0      
assign (resid   25 and   name HB#  )(resid   27 and   name HN   )   4.0  2.2 2.5    
assign (resid   26 and   name HA   )(resid   28 and   name HE#  )   4.0  2.2 2.0    
assign (resid   26 and   name HA   )(resid   28 and   name HG#  )   3.0  1.2 1.3    
assign (resid   28 and   name HB#  )(resid   30 and   name HN   )   4.0  2.2 2.0    
assign (resid   29 and   name HA   )(resid   31 and   name HN   )   4.0  2.2 1.0      
assign (resid   29 and   name HD#  )(resid   31 and   name HB#  )   4.0  2.2 4.9      
assign (resid   33 and   name HA   )(resid   35 and   name HN   )   4.0  2.2 1.0      
assign (resid   34 and   name HB#  )(resid   36 and   name HN   )   4.0  2.2 2.0     
assign (resid   34 and   name HG#  )(resid   36 and   name HN   )   3.0  1.2 1.3    
assign (resid   35 and   name HN   )(resid   37 and   name HN   )   4.0  2.2 1.0      
assign (resid   36 and   name HN   )(resid   38 and   name HN   )   4.0  2.2 1.0      
assign (resid   37 and   name HN   )(resid   39 and   name HN   )   4.0  2.2 1.0      
assign (resid   37 and   name HD#  )(resid   39 and   name HA   )   3.0  1.2 2.7     
assign (resid   46 and   name HN   )(resid   48 and   name HN   )   4.0  2.2 1.0      
assign (resid   54 and   name HA   )(resid   56 and   name HN   )   4.0  2.2 1.0      
assign (resid   60 and   name HB#  )(resid   62 and   name HN   )   3.0  1.2 1.3    
assign (resid   61 and   name HA   )(resid   63 and   name HN   )   4.0  2.2 1.0      
assign (resid   64 and   name HA   )(resid   66 and   name HN   )   4.0  2.2 1.0      
assign (resid   64 and   name HB#  )(resid   66 and   name HN   )   4.0  2.2 2.5    
assign (resid   65 and   name HA   )(resid   67 and   name HN   )   4.0  2.2 1.0      
assign (resid   67 and   name HA   )(resid   69 and   name HN   )   4.0  2.2 1.0      
assign (resid   69 and   name HA   )(resid   71 and   name HN   )   4.0  2.2 1.0      
assign (resid   69 and   name HB   )(resid   71 and   name HN   )   3.0  1.2 0.3      
assign (resid   72 and   name HN   )(resid   74 and   name HG#  )   4.0  2.2 3.4    
assign (resid   78 and   name HA   )(resid   80 and   name HN   )   4.0  2.2 1.0      
assign (resid    5 and   name HA   )(resid    8 and   name HN   )   4.0  2.2 1.0      
assign (resid    6 and   name HA   )(resid    9 and   name HB#  )   3.0  1.2 1.3    
assign (resid    6 and   name HA   )(resid    9 and   name HD# )   4.0  2.2 3.4     
assign (resid    7 and   name HA   )(resid   10 and   name HN   )   4.0  2.2 1.0      
assign (resid    8 and   name HA   )(resid   11 and   name HB#  )   3.0  1.2 1.3    
assign (resid    8 and   name HA   )(resid   11 and   name HD#  )   4.0  2.2 2.0      
assign (resid    9 and   name HA   )(resid   12 and   name HB   )   3.0  1.2 0.3      
assign (resid    9 and   name HA   )(resid   12 and   name HN   )   4.0  2.2 1.0      
assign (resid    9 and   name HN   )(resid   12 and   name HN   )   4.0  2.2 1.0      
assign (resid   10 and   name HA   )(resid   13 and   name HA   )   4.0  2.2 1.0      
assign (resid   10 and   name HA   )(resid   13 and   name HB   )   3.0  1.2 0.3      
assign (resid   10 and   name HA   )(resid   13 and   name HN   )   4.0  2.2 1.0      
assign (resid   10 and   name HA   )(resid   13 and   name HG2# )   4.0  2.2 2.5    
assign (resid   11 and   name HA   )(resid   14 and   name HN   )   4.0  2.2 1.0      
assign (resid   11 and   name HA   )(resid   14 and   name HB#  )   3.0  1.2 1.3    
assign (resid   11 and   name HA   )(resid   14 and   name HE#  )   4.0  2.2 2.0    
assign (resid   11 and   name HD1  )(resid   14 and   name HN   )   4.0  2.2 1.0      
assign (resid   11 and   name HD2  )(resid   14 and   name HN   )   4.0  2.2 1.0      
assign (resid   11 and   name HG#  )(resid   14 and   name HN   )   4.0  2.2 2.0    
assign (resid   12 and   name HA   )(resid   15 and   name HB   )   3.0  1.2 0.3        
assign (resid   12 and   name HA   )(resid   15 and   name HN   )   4.0  2.2 1.0      
assign (resid   12 and   name HA   )(resid   15 and   name HD#  )   3.0  1.2 1.8    
assign (resid   13 and   name HA   )(resid   16 and   name HB   )   3.0  1.2 0.3      
assign (resid   13 and   name HA   )(resid   16 and   name HN   )   4.0  2.2 1.0      
assign (resid   13 and   name HA   )(resid   16 and   name HD#  )   3.0  1.2 1.8    
assign (resid   14 and   name HA   )(resid   17 and   name HB   )   3.0  1.2 0.3      
assign (resid   14 and   name HA   )(resid   17 and   name HN   )   4.0  2.2 1.0      
assign (resid   15 and   name HA   )(resid   18 and   name HN   )   4.0  2.2 1.0      
assign (resid   15 and   name HA   )(resid   18 and   name HB#  )   3.0  1.2 1.3    
assign (resid   16 and   name HA   )(resid   19 and   name HN   )   4.0  2.2 1.0      
assign (resid   16 and   name HA   )(resid   19 and   name HB#  )   3.0  1.2 1.3    
assign (resid   16 and   name HG2# )(resid   19 and   name HB#  )   3.0  2.2 2.8   
assign (resid   17 and   name HA   )(resid   20 and   name HN   )   4.0  2.2 1.0      
assign (resid   17 and   name HA   )(resid   20 and   name HB#  )   4.0  2.2 2.0    
assign (resid   23 and   name HB#  )(resid   26 and   name HN   )   4.0  2.2 2.0    
assign (resid   24 and   name HA   )(resid   27 and   name HB   )   4.0  2.2 1.0      
assign (resid   24 and   name HA   )(resid   27 and   name HN   )   4.0  2.2 1.0      
assign (resid   28 and   name HN   )(resid   31 and   name HN   )   4.0  2.2 1.0      
assign (resid   32 and   name HB#  )(resid   35 and   name HN   )   3.0  1.2 1.3    
assign (resid   32 and   name HB#  )(resid   35 and   name HB#  )   3.0  1.2 2.3    
assign (resid   32 and   name HB#  )(resid   35 and   name HG#  )   4.0  2.2 3.0    
assign (resid   33 and   name HA   )(resid   36 and   name HN   )   4.0  2.2 1.0      
assign (resid   40 and   name HA   )(resid   43 and   name HN   )   4.0  2.2 1.0      
assign (resid   40 and   name HN   )(resid   43 and   name HB#  )   4.0  2.2 2.0    
assign (resid   41 and   name HA   )(resid   44 and   name HB   )   3.0  1.2 0.3      
assign (resid   41 and   name HA   )(resid   44 and   name HN   )   4.0  2.2 1.0      
assign (resid   41 and   name HB#  )(resid   44 and   name HB   )   4.0  2.2 2.0    
assign (resid   42 and   name HA   )(resid   45 and   name HB   )   4.0  2.2 1.0 
assign (resid   42 and   name HA   )(resid   45 and   name HN   )   4.0  2.2 1.0      
assign (resid   43 and   name HA   )(resid   46 and   name HN   )   4.0  2.2 1.0      
assign (resid   43 and   name HA   )(resid   46 and   name HB#  )   2.5  0.7 1.2    
assign (resid   44 and   name HA   )(resid   47 and   name HN   )   4.0  2.2 1.0      
assign (resid   44 and   name HA   )(resid   47 and   name HB#  )   3.0  1.2 1.3    
assign (resid   45 and   name HA   )(resid   48 and   name HB   )   3.0  1.2 0.3      
assign (resid   45 and   name HA   )(resid   48 and   name HN   )   4.0  2.2 1.0      
assign (resid   45 and   name HA   )(resid   48 and   name HG#  )       3.0  1.2 2.7 
assign (resid   46 and   name HA   )(resid   49 and   name HN   )   4.0  2.2 1.0      
assign (resid   46 and   name HA   )(resid   49 and   name HB#  )   3.0  1.2 1.3    
assign (resid   47 and   name HA   )(resid   50 and   name HN   )   4.0  2.2 1.0      
assign (resid   47 and   name HA   )(resid   50 and   name HB#  )   3.0  1.2 1.3    
assign (resid   47 and   name HA   )(resid   50 and   name HG#  )   4.0  2.2 2.0    
assign (resid   48 and   name HA   )(resid   51 and   name HN   )   4.0  2.2 1.0      
assign (resid   48 and   name HA   )(resid   51 and   name HB#  )   2.5  0.7 1.2    
assign (resid   48 and   name HA   )(resid   51 and   name HD2# )   2.5  0.7 1.7    
assign (resid   48 and   name HG#   )(resid   51 and   name HD2# )   3.0  1.2 4.2     
assign (resid   49 and   name HA   )(resid   52 and   name HB#  )   2.5  0.7 1.2    
assign (resid   49 and   name HA   )(resid   52 and   name HN   )   4.0  2.2 1.0      
assign (resid   49 and   name HA   )(resid   52 and   name HB#  )   2.5  0.7 1.2    
assign (resid   49 and   name HA   )(resid   52 and   name HG#  )   3.0  1.2 1.3    
assign (resid   50 and   name HA   )(resid   53 and   name HN   )   4.0  2.2 1.0      
assign (resid   50 and   name HA   )(resid   53 and   name HB#  )   3.0  1.2 1.3     
assign (resid   51 and   name HA   )(resid   54 and   name HN   )   4.0  2.2 1.0      
assign (resid   51 and   name HA   )(resid   54 and   name HB#  )   3.0  1.2 1.3    
assign (resid   53 and   name HA   )(resid   56 and   name HN   )   4.0  2.2 1.0      
assign (resid   59 and   name HA   )(resid   62 and   name HG#  )   4.0  2.2 2.0    
assign (resid   60 and   name HA   )(resid   63 and   name HB#  )   4.0  2.2 2.0     
assign (resid   60 and   name HB#  )(resid   63 and   name HN   )   4.0  2.2 2.0    
assign (resid   61 and   name HA   )(resid   64 and   name HN   )   4.0  2.2 1.0      
assign (resid   61 and   name HA   )(resid   64 and   name HB#  )   3.0  1.2 1.8    
assign (resid   62 and   name HA   )(resid   65 and   name HN   )   4.0  2.2 1.0      
assign (resid   63 and   name HA   )(resid   66 and   name HN   )   4.0  2.2 1.0      
assign (resid   63 and   name HA   )(resid   66 and   name HE#  )   4.0  2.2 2.0    
assign (resid   64 and   name HA   )(resid   67 and   name HB   )   4.0  1.2 1.0      
assign (resid   64 and   name HA   )(resid   67 and   name HN   )   4.0  2.2 1.0      
assign (resid   64 and   name HA   )(resid   67 and   name HD#  )   3.0  1.2 1.8     
assign (resid   64 and   name HB#  )(resid   67 and   name HD#  )   3.0  1.2 3.3    
assign (resid   69 and   name HA   )(resid   72 and   name HN   )   4.0  2.2 1.0      
assign (resid   69 and   name HB   )(resid   72 and   name HN   )   4.0  2.2 1.0      
assign (resid   69 and   name HN   )(resid   72 and   name HN   )   4.0  2.2 1.0      
assign (resid   69 and   name HN   )(resid   72 and   name HB#  )   3.0  1.2 1.3    
assign (resid   70 and   name HA   )(resid   73 and   name HB#  )   2.5  0.7 1.7    
assign (resid   70 and   name HG#  )(resid   73 and   name HB#  )   4.0  2.2 4.9    
assign (resid   71 and   name HA#  )(resid   74 and   name HB   )   2.5  0.7 1.2    
assign (resid   72 and   name HA   )(resid   75 and   name HN   )   4.0  2.2 1.0      
assign (resid   72 and   name HA   )(resid   75 and   name HB#  )   3.0  1.2 1.3    
assign (resid   72 and   name HA   )(resid   75 and   name HD21 )   4.0  2.2 2.0    
assign (resid   73 and   name HA   )(resid   76 and   name HN   )   4.0  2.2 1.0      
assign (resid   73 and   name HA   )(resid   76 and   name HB#  )   3.0  1.2 1.3    
assign (resid   73 and   name HA   )(resid   76 and   name HD#  )   3.0  1.2 2.3    
assign (resid   73 and   name HA   )(resid   76 and   name HD#  )   4.0  2.2 3.0    
assign (resid   73 and   name HB#  )(resid   76 and   name HD#  )   4.0  2.2 4.5    
assign (resid   74 and   name HA   )(resid   77 and   name HB   )   4.0  2.2 1.0       
assign (resid   74 and   name HA   )(resid   77 and   name HN   )   4.0  2.2 1.0      
assign (resid   74 and   name HA   )(resid   77 and   name HD#  )   3.0  1.2 1.8    
assign (resid   74 and   name HA   )(resid   77 and   name HG1#  )      3.0  1.2 1.3 
assign (resid   74 and   name HG#  )(resid   77 and   name HG1#  )   4.0  2.2 4.4    
assign (resid   75 and   name HA   )(resid   78 and   name HN   )   4.0  2.2 1.0      
assign (resid   75 and   name HA   )(resid   78 and   name HB#  )   3.0  1.2 1.3    
assign (resid   75 and   name HA   )(resid   78 and   name HG#  )   3.0  1.2 1.3    
assign (resid   75 and   name HD2# )(resid   78 and   name HB#  )       3.0  1.2 2.3 
assign (resid   76 and   name HA   )(resid   79 and   name HN   )   4.0  2.2 1.0      
assign (resid   76 and   name HA   )(resid   79 and   name HB#  )   3.0  1.2 1.3    
assign (resid   78 and   name HA   )(resid   81 and   name HG#  )   4.0  2.2 2.0    
assign (resid   10 and   name HA   )(resid   14 and   name HN   )   4.0  2.2 1.0      
assign (resid   11 and   name HD1  )(resid   15 and   name HN   )   4.0  2.2 1.0      
assign (resid   11 and   name HD2  )(resid   15 and   name HN   )   4.0  2.2 1.0      
assign (resid   12 and   name HA   )(resid   16 and   name HN   )   4.0  2.2 1.0      
assign (resid   13 and   name HG2# )(resid   17 and   name HG#  )       3.0  1.2 4.2 
assign (resid   15 and   name HA   )(resid   19 and   name HN   )   4.0  2.2 1.0      
assign (resid   16 and   name HA   )(resid   20 and   name HN   )   4.0  2.2 1.0      
assign (resid   17 and   name HA   )(resid   21 and   name HN   )   4.0  2.2 1.0    
assign (resid   17 and   name HA   )(resid   21 and   name HA#  )       3.0  2.2 1.3   
assign (resid   21 and   name HA1  )(resid   25 and   name HN   )   4.0  2.2 1.0      
assign (resid   21 and   name HA2  )(resid   25 and   name HN   )   4.0  2.2 1.0      
assign (resid   27 and   name HA   )(resid   31 and   name HB#  )   4.0  2.2 2.5    
assign (resid   32 and   name HN   )(resid   36 and   name HN   )   4.0  2.2 1.0      
assign (resid   32 and   name HN   )(resid   36 and   name HB#  )   3.0  1.2 1.3    
assign (resid   32 and   name HB#  )(resid   36 and   name HN   )   3.0  1.2 1.3    
assign (resid   33 and   name HA   )(resid   37 and   name HG   )   4.0  2.2 1.0      
assign (resid   33 and   name HA   )(resid   37 and   name HN   )   4.0  2.2 1.0      
assign (resid   33 and   name HA   )(resid   37 and   name HB#  )   4.0  2.2 2.0    
assign (resid   33 and   name HA   )(resid   37 and   name HD1# )   3.0  1.2 1.8    
assign (resid   33 and   name HA   )(resid   37 and   name HD2# )   3.0  1.2 1.8    
assign (resid   33 and   name HD#  )(resid   37 and   name HD2# )   3.0  1.2 3.8    
assign (resid   39 and   name HA   )(resid   43 and   name HB#  )   4.0  2.2 2.0    
assign (resid   39 and   name HB#  )(resid   43 and   name HB#  )   3.0  1.2 2.8    
assign (resid   48 and   name HG#  )(resid   52 and   name HG#  )   4.0  2.2 4.4    
assign (resid   50 and   name HA   )(resid   54 and   name HN   )   4.0  2.2 1.0      
assign (resid   51 and   name HA   )(resid   55 and   name HN   )   4.0  2.2 1.0      
assign (resid   51 and   name HA   )(resid   55 and   name HD#  )   4.0  2.2 3.0    
assign (resid   51 and   name HA   )(resid   55 and   name HE#  )   4.0  2.2 3.0    
assign (resid   51 and   name HB#  )(resid   55 and   name HD#  )   4.0  2.2 4.0    
assign (resid   51 and   name HD1# )(resid   55 and   name HD#  )   3.0  1.2 3.8    
assign (resid   51 and   name HD2# )(resid   55 and   name HD#  )   3.0  1.2 3.8    
assign (resid   59 and   name HA   )(resid   63 and   name HB#  )   4.0  2.2 2.0    
assign (resid   59 and   name HD#  )(resid   63 and   name HB#  )   3.0  1.2 2.8    
assign (resid   59 and   name HG2# )(resid   63 and   name HB#  )   3.0  1.2 2.8    
assign (resid   68 and   name HN   )(resid   72 and   name HB#  )   4.0  2.2 2.0    
assign (resid   70 and   name HG#  )(resid   74 and   name HB   )   4.0  2.2 3.4    
assign (resid   71 and   name HA#  )(resid   75 and   name HN   )   4.0  2.2 2.0      
assign (resid   73 and   name HA   )(resid   77 and   name HD#  )   4.0  2.2 2.5    
assign (resid   59 and   name HG2# )(resid   63 and   name HB#  )   3.0  1.2 2.8    
! long
assign (resid    5 and   name HA   )(resid   74 and   name HG1# )       4.0  2.2 2.5  
assign (resid    5 and   name HA   )(resid   74 and   name HG2# )  4.0  2.2 2.5 
assign (resid    5 and   name HA   )(resid   78 and   name HE#  )   4.0  2.2 2.0 
assign (resid    5 and   name HB#  )(resid   77 and   name HG1# )  4.0  2.2 3.5 
assign (resid    5 and   name HB#  )(resid   77 and   name HG2# )  4.0  2.2 3.5 
assign (resid    8 and   name HA   )(resid   55 and   name HD#  )  4.0  2.2 3.0  
assign (resid    8 and   name HA   )(resid   55 and   name HZ   )   3.0  1.2 0.3      
assign (resid    8 and   name HA   )(resid   55 and   name HE#  )   3.0  1.2 2.3    
assign (resid    8 and   name HG2# )(resid   55 and   name HE#  )   3.0  1.2 3.8    
assign (resid    8 and   name HA   )(resid   74 and   name HG#  )   4.0  2.2 3.4 
assign (resid    8 and   name HG2# )(resid   74 and   name HA   )   3.0  1.2 1.8
assign (resid    8 and   name HA   )(resid   77 and   name HB   ) 4.0  2.2 1.0   
assign (resid    8 and   name HA   )(resid   77 and   name HG2# )   3.0  1.2 1.8  
assign (resid    8 and   name HG2# )(resid   77 and   name HB   ) 4.0  2.2 1.0   
assign (resid    8 and   name HB   )(resid   77 and   name HD#  )   3.0  1.2 1.8    
assign (resid    8 and   name HG2# )(resid   77 and   name HG2# )   2.5  0.7 3.2
assign (resid    8 and   name HG2# )(resid   77 and   name HD#  )  2.5  0.7 3.7     
assign (resid    8 and   name HG2# )(resid   78 and   name HG#  )   4.0  2.2 3.5    
assign (resid    8 and   name HG2# )(resid   78 and   name HN   ) 3.0  1.2 1.3 
assign (resid    8 and   name HG2# )(resid   78 and   name HE2# )   3.0  1.2 2.8 
assign (resid    8 and   name HB   )(resid   78 and   name HE2# ) 3.0  1.2 1.3 
assign (resid    8 and   name HB   )(resid   74 and   name HG#  ) 3.0  1.2 2.8
assign (resid    8 and   name HG2# )(resid   81 and   name HG#  )  3.0  1.2 2.8      
assign (resid    9 and   name HA   )(resid   74 and   name HG#  )  2.5  0.7 2.7 
assign (resid    9 and   name HD#  )(resid   74 and   name HG#  )  2.5  0.7 5.1 
assign (resid    9 and   name HD#  )(resid   78 and   name HE2# )  2.5  0.7 2.7 
assign (resid   11 and   name HB#  )(resid   51 and   name HD#  )   4.0  2.2 4.4
assign (resid   11 and   name HB#  )(resid   54 and   name HB#  )  3.0  1.2 2.3 
assign (resid   11 and   name HB#  )(resid   54 and   name HG#  )  3.0  1.2 2.3 
assign (resid   11 and   name HG#  )(resid   54 and   name HB#  )  3.0  1.2 2.3 
assign (resid   11 and   name HG#  )(resid   54 and   name HG#  )  3.0  1.2 2.3 
assign (resid   11 and   name HB#  )(resid   55 and   name HE#  )   3.0  1.2 3.3 
assign (resid   11 and   name HG#  )(resid   55 and   name HE#  )   3.0  1.2 3.3 
assign (resid   11 and   name HB#  )(resid   55 and   name HZ   )   3.0  1.2 1.3     
assign (resid   11 and   name HB#  )(resid   78 and   name HE2# )   4.0  2.2 3.5 
assign (resid   12 and   name HA   )(resid   55 and   name HE#  )  3.0  1.2 2.3 
assign (resid   12 and   name HA   )(resid   55 and   name HZ   )  4.0  2.2 1.5 
assign (resid   12 and   name HA   )(resid   51 and   name HD1# )  4.0  2.2 2.5 
assign (resid   12 and   name HA   )(resid   51 and   name HD2# )  4.0  2.2 2.5 
assign (resid   12 and   name HG1# )(resid   51 and   name HD1# )  3.0  1.2 3.3 
assign (resid   12 and   name HB   )(resid   74 and   name HG#  )  3.0  1.2 2.7 
assign (resid   12 and   name HG1# )(resid   51 and   name HD2# )  4.0  2.2 4.0
assign (resid   12 and   name HG2# )(resid   51 and   name HD1# )  3.0  1.2 3.3 
assign (resid   12 and   name HG1# )(resid   55 and   name HZ   )  2.5  0.7 2.2   
assign (resid   12 and   name HG1# )(resid   55 and   name HE#  )  2.5  0.7 3.7
assign (resid   12 and   name HG2# )(resid   51 and   name HD2# )  4.0  2.2 4.0
assign (resid   12 and   name HG#  )(resid   55 and   name HZ   )  2.5  0.7 2.6  
assign (resid   12 and   name HG2# )(resid   55 and   name HE#  )  2.5  0.7 3.7
assign (resid   12 and   name HN   )(resid   55 and   name HE#  ) 3.0  1.2 2.3  
assign (resid   12 and   name HG1# )(resid   74 and   name HG#  )  3.0  1.2 4.2 
assign (resid   12 and   name HG2# )(resid   74 and   name HG#  )  3.0  1.2 4.2   
assign (resid   12 and   name HG#  )(resid   77 and   name HG2# )  3.0  1.2 4.2  
assign (resid   12 and   name HG#  )(resid   77 and   name HD#  )  3.0  1.2 4.2       
assign (resid   12 and   name HG#  )(resid   78 and   name HE2# )   4.0  2.2 4.4    
assign (resid   13 and   name HA   )(resid   47 and   name HD#  )   4.0  2.2 3.4    
assign (resid   15 and   name HG2# )(resid   47 and   name HB#  )  2.5  0.7 2.7 
assign (resid   15 and   name HG2# )(resid   47 and   name HD#  )  2.5  0.7 4.2   
assign (resid   15 and   name HD#  )(resid   51 and   name HA   )   3.0  1.2 1.8  
assign (resid   15 and   name HD#  )(resid   51 and   name HB#  )   3.0  1.2 2.8     
assign (resid   15 and   name HD#  )(resid   55 and   name HE#  )   4.0  2.2 4.5    
assign (resid   16 and   name HG2# )(resid   27 and   name HA   )  3.0  1.2 1.8 
assign (resid   16 and   name HG2# )(resid   27 and   name HG#  )  3.0  1.2 4.2 
assign (resid   16 and   name HD#  )(resid   33 and   name HD#  )   3.0  1.2 3.8    
assign (resid   16 and   name HD#  )(resid   33 and   name HE#  )   4.0  2.2 4.5    
assign (resid   16 and   name HG2# )(resid   33 and   name HD#  )   4.0  2.2 4.5    
assign (resid   16 and   name HD#  )(resid   33 and   name HZ   )  3.0  1.2 1.8 
assign (resid   16 and   name HA   )(resid   47 and   name HD1# )   3.0  1.2 1.7 
assign (resid   16 and   name HA   )(resid   47 and   name HD2# )   3.0  1.2 1.7     
assign (resid   16 and   name HG1# )(resid   47 and   name HD1# )   4.0  2.2 3.5    
assign (resid   16 and   name HG1# )(resid   47 and   name HD2# )   4.0  2.2 3.5    
assign (resid   16 and   name HG2# )(resid   47 and   name HD1# )   4.0  2.2 4.0     
assign (resid   16 and   name HG2# )(resid   47 and   name HD2# )   4.0  2.2 4.0    
assign (resid   16 and   name HG1# )(resid   70 and   name HG#  )   4.0  2.2 4.9 
assign (resid   16 and   name HD#  )(resid   70 and   name HG#  )   3.0  1.2 4.2     
assign (resid   16 and   name HG2# )(resid   74 and   name HG#  )   4.0  2.2 4.9    
assign (resid   16 and   name HD#  )(resid   47 and   name HD#  )   4.0  2.2 4.9
assign (resid   16 and   name HD#  )(resid   51 and   name HD1# )   4.0  2.2 4.0 
assign (resid   16 and   name HD#  )(resid   51 and   name HD2# )   4.0  2.2 4.0     
assign (resid   16 and   name HD#  )(resid   74 and   name HA   )   4.0  2.2 2.5    
assign (resid   16 and   name HD#  )(resid   74 and   name HG#  )   4.0  2.2 4.9    
assign (resid   17 and   name HG#  )(resid   24 and   name HA   )  3.0  1.2 2.7 
assign (resid   17 and   name HA   )(resid   37 and   name HD#  )   4.0  2.2 3.4     
assign (resid   19 and   name HB#  )(resid   44 and   name HG#  )  4.0  2.2 4.4    
assign (resid   19 and   name HB#  )(resid   47 and   name HD1# )   4.0  2.2 3.5 
assign (resid   19 and   name HB#  )(resid   47 and   name HD2# )       4.0  2.2 3.5 
assign (resid   19 and   name HB#  )(resid   47 and   name HB#  )  3.0  1.2 2.3 
assign (resid   19 and   name HG#  )(resid   47 and   name HB#  )  3.0  1.2 2.3    
assign (resid   19 and   name HG#  )(resid   47 and   name HD#  )   4.0  2.2 4.4    
assign (resid   19 and   name HD#  )(resid   47 and   name HD1# )   4.0  2.2 3.5 
assign (resid   19 and   name HD#  )(resid   47 and   name HD2# )       4.0  2.2 3.5     
assign (resid   20 and   name HD1# )(resid   39 and   name HA   )   4.0  2.2 2.5    
assign (resid   20 and   name HD2# )(resid   39 and   name HA   )   4.0  2.2 2.5
assign (resid   20 and   name HD#  )(resid   39 and   name HB#  )  3.0  1.2 3.4
assign (resid   20 and   name HD1# )(resid   43 and   name HA   )   3.0  1.2 2.5 
assign (resid   20 and   name HD2# )(resid   43 and   name HA   )   3.0  1.2 2.5 
assign (resid   20 and   name HD#  )(resid   43 and   name HB#  )   3.0  1.2 3.7 
assign (resid   20 and   name HG   )(resid   44 and   name HA   )   2.5  0.7 0.2 
assign (resid   20 and   name HG   )(resid   44 and   name HG#  )  3.0  1.2 2.7 
assign (resid   20 and   name HD#  )(resid   44 and   name HG#  )  3.0  1.2 5.1 
assign (resid   20 and   name HD#  )(resid   44 and   name HA   )   3.0  1.2 2.7  
assign (resid   20 and   name HG   )(resid   47 and   name HD1# )   3.0  1.2 2.5 
assign (resid   20 and   name HG   )(resid   47 and   name HD2# )   3.0  1.2 2.5 
assign (resid   20 and   name HG   )(resid   47 and   name HG   )   4.0  2.2 2.0 
assign (resid   20 and   name HD2# )(resid   43 and   name HA   )   3.0  1.2 2.5 
assign (resid   20 and   name HA   )(resid   43 and   name HB#  )   4.0  2.2 2.0    
assign (resid   20 and   name HG   )(resid   33 and   name HD#  )   3.0  1.2 2.3 
assign (resid   20 and   name HG   )(resid   33 and   name HE#  )   3.0  1.2 2.3 
assign (resid   20 and   name HB#  )(resid   33 and   name HE#  )  3.0  1.2 3.3 
assign (resid   22 and   name HG#  )(resid   37 and   name HA   )  4.0  2.2 5.4  
assign (resid   26 and   name HB#  )(resid   37 and   name HD1# )   3.0  1.2 2.8    
assign (resid   26 and   name HB#  )(resid   37 and   name HD2# )   3.0  1.2 2.8    
assign (resid   26 and   name HB#  )(resid   37 and   name HB#  )  2.5  0.7 2.2     
assign (resid   27 and   name HA   )(resid   37 and   name HD1# )   4.0  2.2 2.5    
assign (resid   27 and   name HA   )(resid   37 and   name HD2# )   4.0  2.2 2.5
assign (resid   27 and   name HG#  )(resid   71 and   name HA#  )  4.0  2.2 4.4 
assign (resid   28 and   name HD#  )(resid   37 and   name HD#  )  2.5  0.7 3.6 
assign (resid   28 and   name HN   )(resid   33 and   name HE#  )  3.0  1.2 3.3 
assign (resid   28 and   name HN   )(resid   33 and   name HZ   )  3.0  1.2 0.3   
assign (resid   29 and   name HA   )(resid   69 and   name HB   )  3.0  1.2 0.3 
assign (resid   29 and   name HB#  )(resid   69 and   name HB   )  3.0  1.2 1.3 
assign (resid   29 and   name HA   )(resid   70 and   name HB   )   3.0  1.2 0.3       
assign (resid   29 and   name HA   )(resid   70 and   name HN   )   4.0  2.2 1.0      
assign (resid   29 and   name HA   )(resid   70 and   name HG1# )   3.0  1.2 1.8    
assign (resid   29 and   name HA   )(resid   70 and   name HG2# )   4.0  2.2 2.5     
assign (resid   29 and   name HA   )(resid   71 and   name HN   )   3.0  1.2 0.3       
assign (resid   29 and   name HB#  )(resid   71 and   name HN   )       3.0  1.2 1.3 
assign (resid   29 and   name HB#  )(resid   71 and   name HA#  )   3.0  1.2 2.3
assign (resid   29 and   name HD#  )(resid   71 and   name HA#  )  4.0  2.2 4.4 
assign (resid   30 and   name HA   )(resid   69 and   name HG2# )   4.0  2.2 2.5 
assign (resid   31 and   name HA   )(resid   36 and   name HB#  )   3.0  1.2 1.3    
assign (resid   31 and   name HB#  )(resid   36 and   name HB#  )   3.0  1.2 2.8    
assign (resid   31 and   name HB#  )(resid   37 and   name HD#  )   3.0  1.2 3.3 
assign (resid   31 and   name HN   )(resid   70 and   name HG#  )   4.0  2.2 3.4    
assign (resid   31 and   name HB#  )(resid   70 and   name HB   )   4.0  2.2 2.5    
assign (resid   31 and   name HB#  )(resid   70 and   name HG#  )   4.0  2.2 4.9    
assign (resid   32 and   name HA   )(resid   69 and   name HA   )   4.0  2.2 1.0 
assign (resid   32 and   name HA   )(resid   69 and   name HB   )   4.0  2.2 1.0      
assign (resid   32 and   name HA   )(resid   69 and   name HG2# )   3.0  1.2 1.8    
assign (resid   32 and   name HB#  )(resid   69 and   name HG2# )   4.0  2.2 3.5    
assign (resid   33 and   name HA   )(resid   70 and   name HG#  )   4.0  2.2 3.4    
assign (resid   33 and   name HB#  )(resid   44 and   name HG#  )  2.5  0.7 3.6 
assign (resid   33 and   name HD#  )(resid   47 and   name HD1# )   4.0  2.2 3.5 
assign (resid   33 and   name HD#  )(resid   47 and   name HD2# )   4.0  2.2 3.5 
assign (resid   33 and   name HE#  )(resid   47 and   name HD1# )   4.0  2.2 3.5 
assign (resid   33 and   name HE#  )(resid   47 and   name HD2# )   4.0  2.2 3.5   
assign (resid   33 and   name HD#  )(resid   44 and   name HA   )   4.0  2.2 3.0
assign (resid   33 and   name HE#  )(resid   44 and   name HA   )   3.0  1.2 2.3 
assign (resid   33 and   name HB#  )(resid   44 and   name HG#  )   3.0  1.2 3.7 
assign (resid   33 and   name HD#  )(resid   44 and   name HG#  )   2.5  0.7 4.6    
assign (resid   33 and   name HD#  )(resid   67 and   name HG2# )   4.0  2.2 4.5 
assign (resid   33 and   name HN   )(resid   69 and   name HG2# )   4.0  2.2 2.5    
assign (resid   33 and   name HD#  )(resid   70 and   name HA   )   3.0  1.2 2.8    
assign (resid   33 and   name HD#  )(resid   70 and   name HG1# )   3.0  1.2 3.8
assign (resid   33 and   name HD#  )(resid   70 and   name HG2# )   3.0  1.2 3.8    
assign (resid   33 and   name HE#  )(resid   67 and   name HG2# )   4.0  2.2 4.5    
assign (resid   33 and   name HE#  )(resid   70 and   name HA   )   3.0  1.2 2.3   
assign (resid   33 and   name HE#  )(resid   70 and   name HB   )   3.0  1.2 2.3  
assign (resid   33 and   name HE#  )(resid   70 and   name HG#  )   3.0  1.2 4.7     
assign (resid   33 and   name HD#  )(resid   73 and   name HB#  )   4.0  2.2 4.5    
assign (resid   33 and   name HE#  )(resid   73 and   name HB#  )   4.0  1.2 3.8    
assign (resid   34 and   name HA   )(resid   39 and   name HN   )   3.0  1.2 0.3 
assign (resid   34 and   name HA   )(resid   39 and   name HB#  )   3.0  1.2 1.8 
assign (resid   37 and   name HD#  )(resid   70 and   name HB   )   4.0  2.2 3.4  
assign (resid   39 and   name HA   )(resid   44 and   name HG#  )  4.0  2.2 3.4 
assign (resid   39 and   name HB#  )(resid   44 and   name HG#  )  3.0  1.2 4.2  
assign (resid   44 and   name HA   )(resid   70 and   name HG2# )   3.0  1.2 1.8
assign (resid   44 and   name HG#  )(resid   70 and   name HG2# )   3.0  1.2 4.2   
assign (resid   45 and   name HG#  )(resid   70 and   name HA   )  4.0  2.2 3.4  
assign (resid   48 and   name HA   )(resid   59 and   name HD#  )  4.0  2.2 2.5  
assign (resid   48 and   name HG1# )(resid   59 and   name HG2# )  3.0  1.2 3.3  
assign (resid   48 and   name HG2# )(resid   59 and   name HG2# )  3.0  1.2 3.3 
assign (resid   48 and   name HG#  )(resid   59 and   name HD#  )  3.0  1.2 4.2 
assign (resid   48 and  name HG#   )(resid   59 and   name HB   )  4.0  2.2 3.4      
assign (resid   48 and   name HG1# )(resid   70 and   name HA   )  3.0  1.2 1.8 
assign (resid   48 and   name HG2# )(resid   70 and   name HA   )  3.0  1.2 1.8    
assign (resid   51 and   name HB#  )(resid   59 and   name HD#  )   3.0  1.2 2.8
assign (resid   51 and   name HD#  )(resid   59 and   name HD#  )   3.0  1.2 4.2  
assign (resid   51 and   name HD#  )(resid   73 and   name HA   )  3.0  1.2 2.7 
assign (resid   51 and   name HD#  )(resid   57 and   name HE#  )  3.0  1.2 4.2  
assign (resid   51 and   name HD#  )(resid   73 and   name HB#  )  3.0  1.2 4.2     
assign (resid   51 and   name HD1# )(resid   77 and   name HD#  )   3.0  1.2 3.3    
assign (resid   51 and   name HD2# )(resid   77 and   name HD#  )   3.0  1.2 3.3    
assign (resid   52 and   name HA   )(resid   57 and   name HN   )   4.0  2.2 1.0
assign (resid   52 and   name HA   )(resid   57 and   name HB#  )  3.0  1.2 1.3 
assign (resid   52 and   name HA   )(resid   57 and   name HG#  )  3.0  1.2 1.3 
assign (resid   52 and   name HA   )(resid   57 and   name HE#  )  3.0  1.2 1.8 
assign (resid   52 and   name HA   )(resid   59 and   name HD#  )   3.0  1.2 1.8    
assign (resid   52 and   name HA   )(resid   59 and   name HG1# )   4.0  2.2 2.0      
assign (resid   52 and   name HG#  )(resid   59 and   name HD#  )   3.0  1.2 2.8    
assign (resid   52 and   name HG#  )(resid   59 and   name HD#  )   4.0  2.2 3.5
assign (resid   52 and   name HB#  )(resid   59 and   name HB   )  3.0  1.2 1.3 
assign (resid   52 and   name HB#  )(resid   59 and   name HG1# )  3.0  1.2 2.3   
assign (resid   55 and   name HB#  )(resid   77 and   name HD#  )   4.0  2.2 3.5    
assign (resid   55 and   name HB#  )(resid   77 and   name HG2# )   4.0  2.2 3.5    
assign (resid   55 and   name HD#  )(resid   77 and   name HD#  )   4.0  2.2 4.5    
assign (resid   55 and   name HD#  )(resid   77 and   name HG2# )   3.0  1.2 3.8    
assign (resid   55 and   name HE#  )(resid   77 and   name HD#  )   3.0  1.2 3.8 
assign (resid   55 and   name HZ   )(resid   77 and   name HG1# )   4.0  2.2 2.0 
assign (resid   57 and   name HE#  )(resid   76 and   name HB#  )   2.5  0.7 2.7 
assign (resid   57 and   name HE#  )(resid   76 and   name HD#  )   3.0  1.2 3.8
assign (resid   57 and   name HE#  )(resid   76 and   name HE#  )   3.0  1.2 3.8
assign (resid   57 and   name HG#  )(resid   76 and   name HD#  )   3.0  1.2 3.3   
assign (resid   55 and   name HE#  )(resid   77 and   name HG2# )   3.0  1.2 3.8    
assign (resid   57 and   name HE#  )(resid   77 and   name HA   )   4.0  2.2 2.5    
assign (resid   57 and   name HE#  )(resid   77 and   name HD#  )   2.5  0.7 3.2    
assign (resid   57 and   name HG#  )(resid   77 and   name HG2# )   3.0  1.2 2.8 
assign (resid   57 and   name HE#  )(resid   77 and   name HG1# )  2.5  0.7 2.7  
assign (resid   57 and   name HE#  )(resid   77 and   name HG2# )   4.0  2.2 4.0
assign (resid   57 and   name HE#  )(resid   80 and   name HN   )   4.0  2.2 2.5 
assign (resid   57 and   name HG#  )(resid   80 and   name HG#  )  3.0  1.2 2.3    
assign (resid   59 and   name HG2# )(resid   64 and   name HA   )   4.0  2.2 2.5    
assign (resid   59 and   name HG2# )(resid   64 and   name HN   )   4.0  2.2 2.5    
assign (resid   59 and   name HG2# )(resid   64 and   name HB#  )   3.0  1.2 2.8  
assign (resid   59 and   name HD#  )(resid   67 and   name HD#  )   3.0  1.2 3.3 
assign (resid   59 and   name HG2# )(resid   67 and   name HD#  )   3.0  1.2 3.3 
assign (resid   59 and   name HG2# )(resid   73 and   name HB#  )       3.0  1.2 3.3 
assign (resid   59 and   name HD#  )(resid   73 and   name HB#  )       3.0  1.2 3.3 
assign (resid   59 and   name HA   )(resid   76 and   name HD#  )   4.0  2.2 3.0    
assign (resid   59 and   name HA   )(resid   76 and   name HE#  )   4.0  2.2 3.0    
assign (resid   59 and   name HD#  )(resid   73 and   name HA   )   4.0  2.2 2.5    
assign (resid   59 and   name HD#  )(resid   76 and   name HD#  )   4.0  2.2 4.5    
assign (resid   59 and   name HD#  )(resid   76 and   name HE#  )   4.0  2.2 4.5    
assign (resid   59 and   name HG1# )(resid   76 and   name HE#  )   4.0  2.2 4.0    
assign (resid   59 and   name HG2# )(resid   76 and   name HE#  )   4.0  2.2 4.5    
assign (resid   63 and   name HB#  )(resid   76 and   name HE#  )   3.0  1.2 3.3
assign (resid   63 and   name HB#  )(resid   76 and   name HD#  )   3.0  1.2 3.3    
assign (resid   64 and   name HA   )(resid   70 and   name HG#  )  3.0  1.2 2.7  
assign (resid   64 and   name HB#  )(resid   70 and   name HG#  )  3.0  1.2 4.3 
assign (resid   67 and   name HA   )(resid   72 and   name HB#  )   4.0  2.2 2.0
assign (resid   67 and   name HG1# )(resid   72 and   name HB#  )   3.0  1.2 2.3 
assign (resid   67 and   name HG2# )(resid   72 and   name HB#  )   3.0  1.2 2.8    
assign (resid   67 and   name HG2# )(resid   73 and   name HN   )   4.0  2.2 2.0 
assign (resid   67 and   name HG2# )(resid   73 and   name HN   )    3.0  1.2 1.8 
assign (resid   67 and   name HD#  )(resid   73 and   name HB#  )   3.0  1.2 2.8 
assign (resid   67 and   name HG2# )(resid   73 and   name HB#  )   3.0  1.2 2.8
assign (resid   67 and   name HD#  )(resid   73 and   name HN   )   3.0  1.2 1.8    
assign (resid   67 and   name HD#  )(resid   73 and   name HA   )   3.0  1.2 1.8    
assign (resid   67 and   name HD#  )(resid   76 and   name HB#  )   3.0  1.2 2.8    
assign (resid   67 and   name HD#  )(resid   76 and   name HD#  )   4.0  2.2 4.5 
assign (resid   67 and   name HG1# )(resid  76 and    name HD#  )    2.5 0.7 3.2    
! H-bond
assign (resid   7 and name O ) (resid  11 and name HN )  1.8 0.3 0.5 
assign (resid   7 and name O ) (resid  11 and name N  )  2.8 0.4 0.5 
assign (resid   8 and name O ) (resid  12 and name HN )  1.8 0.3 0.5 
assign (resid   8 and name O ) (resid  12 and name N  )  2.8 0.4 0.5 
assign (resid   9 and name O ) (resid  13 and name HN )  1.8 0.3 0.5 
assign (resid   9 and name O ) (resid  13 and name N  )  2.8 0.4 0.5 
assign (resid  10 and name O ) (resid  14 and name HN )  1.8 0.3 0.5 
assign (resid  10 and name O ) (resid  14 and name N  )  2.8 0.4 0.5 
assign (resid  11 and name O ) (resid  15 and name HN )  1.8 0.3 0.5 
assign (resid  11 and name O ) (resid  15 and name N  )  2.8 0.4 0.5 
assign (resid  12 and name O ) (resid  16 and name HN )  1.8 0.3 0.5 
assign (resid  12 and name O ) (resid  16 and name N  )  2.8 0.4 0.5 
assign (resid  13 and name O ) (resid  17 and name HN )  1.8 0.3 0.5 
assign (resid  13 and name O ) (resid  17 and name N  )  2.8 0.4 0.5 
assign (resid  14 and name O ) (resid  18 and name HN )  1.8 0.3 0.5 
assign (resid  14 and name O ) (resid  18 and name N  )  2.8 0.4 0.5 
assign (resid  15 and name O ) (resid  19 and name HN )  1.8 0.3 0.5 
assign (resid  15 and name O ) (resid  19 and name N  )  2.8 0.4 0.5 
assign (resid  19 and name O ) (resid  22 and name HN )  1.8 0.3 0.5  
assign (resid  19 and name O ) (resid  22 and name N  )  2.8 0.4 0.5   
assign (resid  41 and name O ) (resid  45 and name HN )  1.8 0.3 0.5 
assign (resid  41 and name O ) (resid  45 and name N  )  2.8 0.4 0.5 
assign (resid  42 and name O ) (resid  46 and name HN )  1.8 0.3 0.5 
assign (resid  42 and name O ) (resid  46 and name N  )  2.8 0.4 0.5 
assign (resid  43 and name O ) (resid  47 and name HN )  1.8 0.3 0.5 
assign (resid  43 and name O ) (resid  47 and name N  )  2.8 0.4 0.5 
assign (resid  44 and name O ) (resid  48 and name HN )  1.8 0.3 0.5 
assign (resid  44 and name O ) (resid  48 and name N  )  2.8 0.4 0.5 
assign (resid  45 and name O ) (resid  49 and name HN )  1.8 0.3 0.5 
assign (resid  45 and name O ) (resid  49 and name N  )  2.8 0.4 0.5 
assign (resid  47 and name O ) (resid  51 and name HN )  1.8 0.3 0.5 
assign (resid  47 and name O ) (resid  51 and name N  )  2.8 0.4 0.5 
assign (resid  48 and name O ) (resid  52 and name HN )  1.8 0.3 0.5 
assign (resid  48 and name O ) (resid  52 and name N  )  2.8 0.4 0.5 
assign (resid  49 and name O ) (resid  53 and name HN )  1.8 0.3 0.5 
assign (resid  49 and name O ) (resid  53 and name N  )  2.8 0.4 0.5 
assign (resid  50 and name O ) (resid  54 and name HN )  1.8 0.3 0.5 
assign (resid  50 and name O ) (resid  54 and name N  )  2.8 0.4 0.5 
assign (resid  51 and name O ) (resid  55 and name HN )  1.8 0.3 0.5 
assign (resid  51 and name O ) (resid  55 and name N  )  2.8 0.4 0.5 
assign (resid  69 and name O ) (resid  73 and name HN )  1.8 0.3 0.5 
assign (resid  69 and name O ) (resid  73 and name N  )  2.8 0.4 0.5 
assign (resid  70 and name O ) (resid  74 and name HN )  1.8 0.3 0.5 
assign (resid  70 and name O ) (resid  74 and name N  )  2.8 0.4 0.5 
assign (resid  71 and name O ) (resid  75 and name HN )  1.8 0.3 0.5 
assign (resid  71 and name O ) (resid  75 and name N  )  2.8 0.4 0.5 
assign (resid  72 and name O ) (resid  76 and name HN )  1.8 0.3 0.5 
assign (resid  72 and name O ) (resid  76 and name N  )  2.8 0.4 0.5 
assign (resid  73 and name O ) (resid  77 and name HN )  1.8 0.3 0.5 
assign (resid  73 and name O ) (resid  77 and name N  )  2.8 0.4 0.5 
assign (resid  74 and name O ) (resid  78 and name HN )  1.8 0.3 0.5 
assign (resid  74 and name O ) (resid  78 and name N  )  2.8 0.4 0.5 
assign (resid  77 and name O ) (resid  81 and name HN )  1.8 0.3 0.5 
assign (resid  77 and name O ) (resid  81 and name N  )  2.8 0.4 0.5 
! dihedral.tbl
!phi.tbl 
assign (resid  6 and name C) (resid  7 and name N) (resid  7 and name CA) (resid  7 and name C) 1.0 -60.0 30.0 2
assign (resid  7 and name C) (resid  8 and name N) (resid  8 and name CA) (resid  8 and name C) 1.0 -60.0 30.0 2
assign (resid  8 and name C) (resid  9 and name N) (resid  9 and name CA) (resid  9 and name C) 1.0 -60.0 30.0 2
assign (resid  9 and name C) (resid 10 and name N) (resid 10 and name CA) (resid 10 and name C) 1.0 -60.0 30.0 2
assign (resid 10 and name C) (resid 11 and name N) (resid 11 and name CA) (resid 11 and name C) 1.0 -60.0 30.0 2
assign (resid 11 and name C) (resid 12 and name N) (resid 12 and name CA) (resid 12 and name C) 1.0 -60.0 30.0 2
assign (resid 12 and name C) (resid 13 and name N) (resid 13 and name CA) (resid 13 and name C) 1.0 -60.0 30.0 2
assign (resid 13 and name C) (resid 14 and name N) (resid 14 and name CA) (resid 14 and name C) 1.0 -60.0 30.0 2
assign (resid 14 and name C) (resid 15 and name N) (resid 15 and name CA) (resid 15 and name C) 1.0 -60.0 30.0 2
assign (resid 15 and name C) (resid 16 and name N) (resid 16 and name CA) (resid 16 and name C) 1.0 -60.0 30.0 2
assign (resid 16 and name C) (resid 17 and name N) (resid 17 and name CA) (resid 17 and name C) 1.0 -60.0 30.0 2
assign (resid 17 and name C) (resid 18 and name N) (resid 18 and name CA) (resid 18 and name C) 1.0 -60.0 40.0 2
assign (resid 18 and name C) (resid 19 and name N) (resid 19 and name CA) (resid 19 and name C) 1.0 -60.0 40.0 2
assign (resid 19 and name C) (resid 20 and name N) (resid 20 and name CA) (resid 20 and name C) 1.0 -60.0 40.0 2
assign (resid 20 and name C) (resid 21 and name N) (resid 21 and name CA) (resid 21 and name C) 1.0 -90.0 50.0 2
assign (resid 25 and name C) (resid 26 and name N) (resid 26 and name CA) (resid 26 and name C) 1.0 -60.0 50.0 2
assign (resid 26 and name C) (resid 27 and name N) (resid 27 and name CA) (resid 27 and name C) 1.0 -60.0 50.0 2
assign (resid 30 and name C) (resid 31 and name N) (resid 31 and name CA) (resid 31 and name C) 1.0 -60.0 50.0 2
assign (resid 34 and name C) (resid 35 and name N) (resid 35 and name CA) (resid 35 and name C) 1.0 -60.0 50.0 2
assign (resid 36 and name C) (resid 37 and name N) (resid 37 and name CA) (resid 37 and name C) 1.0 -60.0 50.0 2
assign (resid 42 and name C) (resid 43 and name N) (resid 43 and name CA) (resid 43 and name C) 1.0 -60.0 30.0 2
assign (resid 43 and name C) (resid 44 and name N) (resid 44 and name CA) (resid 44 and name C) 1.0 -60.0 30.0 2
assign (resid 44 and name C) (resid 45 and name N) (resid 45 and name CA) (resid 45 and name C) 1.0 -60.0 30.0 2
assign (resid 45 and name C) (resid 46 and name N) (resid 46 and name CA) (resid 46 and name C) 1.0 -60.0 30.0 2
assign (resid 46 and name C) (resid 47 and name N) (resid 47 and name CA) (resid 47 and name C) 1.0 -60.0 30.0 2
assign (resid 47 and name C) (resid 48 and name N) (resid 48 and name CA) (resid 48 and name C) 1.0 -60.0 30.0 2
assign (resid 48 and name C) (resid 49 and name N) (resid 49 and name CA) (resid 49 and name C) 1.0 -60.0 30.0 2
assign (resid 49 and name C) (resid 50 and name N) (resid 50 and name CA) (resid 50 and name C) 1.0 -60.0 30.0 2
assign (resid 50 and name C) (resid 51 and name N) (resid 51 and name CA) (resid 51 and name C) 1.0 -60.0 30.0 2
assign (resid 51 and name C) (resid 52 and name N) (resid 52 and name CA) (resid 52 and name C) 1.0 -60.0 30.0 2
assign (resid 52 and name C) (resid 53 and name N) (resid 53 and name CA) (resid 53 and name C) 1.0 -60.0 30.0 2
assign (resid 53 and name C) (resid 54 and name N) (resid 54 and name CA) (resid 54 and name C) 1.0 -60.0 40.0 2
assign (resid 54 and name C) (resid 55 and name N) (resid 55 and name CA) (resid 55 and name C) 1.0 -60.0 40.0 2
assign (resid 62 and name C) (resid 63 and name N) (resid 63 and name CA) (resid 63 and name C) 1.0 -60.0 30.0 2
assign (resid 63 and name C) (resid 64 and name N) (resid 64 and name CA) (resid 64 and name C) 1.0 -60.0 30.0 2
assign (resid 64 and name C) (resid 65 and name N) (resid 65 and name CA) (resid 65 and name C) 1.0 -60.0 30.0 2
assign (resid 65 and name C) (resid 66 and name N) (resid 66 and name CA) (resid 66 and name C) 1.0 -60.0 30.0 2
assign (resid 71 and name C) (resid 72 and name N) (resid 72 and name CA) (resid 72 and name C) 1.0 -60.0 30.0 2
assign (resid 72 and name C) (resid 73 and name N) (resid 73 and name CA) (resid 73 and name C) 1.0 -60.0 30.0 2
assign (resid 73 and name C) (resid 74 and name N) (resid 74 and name CA) (resid 74 and name C) 1.0 -60.0 30.0 2
assign (resid 74 and name C) (resid 75 and name N) (resid 75 and name CA) (resid 75 and name C) 1.0 -60.0 30.0 2
assign (resid 75 and name C) (resid 76 and name N) (resid 76 and name CA) (resid 76 and name C) 1.0 -60.0 30.0 2
assign (resid 76 and name C) (resid 77 and name N) (resid 77 and name CA) (resid 77 and name C) 1.0 -60.0 30.0 2
assign (resid 77 and name C) (resid 78 and name N) (resid 78 and name CA) (resid 78 and name C) 1.0 -60.0 30.0 2
assign (resid 78 and name C) (resid 79 and name N) (resid 79 and name CA) (resid 79 and name C) 1.0 -60.0 30.0 2
assign (resid 79 and name C) (resid 80 and name N) (resid 80 and name CA) (resid 80 and name C) 1.0 -60.0 30.0 2
! psi.tbl
assign (resid  6 and name N) (resid  6 and name CA) (resid  6 and name C) (resid  7 and name N) 1.0 -40.0 35.0 2
assign (resid  7 and name N) (resid  7 and name CA) (resid  7 and name C) (resid  8 and name N) 1.0 -40.0 35.0 2
assign (resid  8 and name N) (resid  8 and name CA) (resid  8 and name C) (resid  9 and name N) 1.0 -40.0 35.0 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 35.0 2
assign (resid 10 and name N) (resid 10 and name CA) (resid 10 and name C) (resid 11 and name N) 1.0 -40.0 35.0 2
assign (resid 11 and name N) (resid 11 and name CA) (resid 11 and name C) (resid 12 and name N) 1.0 -40.0 35.0 2
assign (resid 12 and name N) (resid 12 and name CA) (resid 12 and name C) (resid 13 and name N) 1.0 -40.0 35.0 2
assign (resid 13 and name N) (resid 13 and name CA) (resid 13 and name C) (resid 14 and name N) 1.0 -40.0 35.0 2
assign (resid 14 and name N) (resid 14 and name CA) (resid 14 and name C) (resid 15 and name N) 1.0 -40.0 35.0 2
assign (resid 15 and name N) (resid 15 and name CA) (resid 15 and name C) (resid 16 and name N) 1.0 -40.0 35.0 2
assign (resid 16 and name N) (resid 16 and name CA) (resid 16 and name C) (resid 17 and name N) 1.0 -40.0 35.0 2
assign (resid 17 and name N) (resid 17 and name CA) (resid 17 and name C) (resid 18 and name N) 1.0 -40.0 35.0 2
assign (resid 18 and name N) (resid 18 and name CA) (resid 18 and name C) (resid 19 and name N) 1.0 -40.0 35.0 2
assign (resid 19 and name N) (resid 19 and name CA) (resid 19 and name C) (resid 20 and name N) 1.0 -50.0 40.0 2
assign (resid 20 and name N) (resid 20 and name CA) (resid 20 and name C) (resid 21 and name N) 1.0 -50.0 40.0 2
assign (resid 25 and name N) (resid 25 and name CA) (resid 25 and name C) (resid 26 and name N) 1.0 -40.0 40.0 2
assign (resid 26 and name N) (resid 26 and name CA) (resid 26 and name C) (resid 27 and name N) 1.0 -40.0 40.0 2
assign (resid 30 and name N) (resid 30 and name CA) (resid 30 and name C) (resid 31 and name N) 1.0 -40.0 40.0 2
assign (resid 34 and name N) (resid 34 and name CA) (resid 34 and name C) (resid 35 and name N) 1.0 -40.0 40.0 2
assign (resid 36 and name N) (resid 36 and name CA) (resid 36 and name C) (resid 37 and name N) 1.0 -40.0 40.0 2
assign (resid 42 and name N) (resid 42 and name CA) (resid 42 and name C) (resid 43 and name N) 1.0 -40.0 35.0 2
assign (resid 43 and name N) (resid 43 and name CA) (resid 43 and name C) (resid 44 and name N) 1.0 -40.0 35.0 2
assign (resid 44 and name N) (resid 44 and name CA) (resid 44 and name C) (resid 45 and name N) 1.0 -40.0 35.0 2
assign (resid 45 and name N) (resid 45 and name CA) (resid 45 and name C) (resid 46 and name N) 1.0 -40.0 35.0 2
assign (resid 46 and name N) (resid 46 and name CA) (resid 46 and name C) (resid 47 and name N) 1.0 -40.0 35.0 2
assign (resid 47 and name N) (resid 47 and name CA) (resid 47 and name C) (resid 48 and name N) 1.0 -40.0 35.0 2
assign (resid 48 and name N) (resid 48 and name CA) (resid 48 and name C) (resid 49 and name N) 1.0 -40.0 35.0 2
assign (resid 49 and name N) (resid 49 and name CA) (resid 49 and name C) (resid 50 and name N) 1.0 -40.0 35.0 2
assign (resid 50 and name N) (resid 50 and name CA) (resid 50 and name C) (resid 51 and name N) 1.0 -40.0 35.0 2
assign (resid 51 and name N) (resid 51 and name CA) (resid 51 and name C) (resid 52 and name N) 1.0 -40.0 35.0 2
assign (resid 52 and name N) (resid 52 and name CA) (resid 52 and name C) (resid 53 and name N) 1.0 -40.0 35.0 2
assign (resid 53 and name N) (resid 53 and name CA) (resid 53 and name C) (resid 54 and name N) 1.0 -40.0 40.0 2
assign (resid 54 and name N) (resid 54 and name CA) (resid 54 and name C) (resid 55 and name N) 1.0 -40.0 40.0 2
assign (resid 62 and name N) (resid 62 and name CA) (resid 62 and name C) (resid 63 and name N) 1.0 -40.0 35.0 2
assign (resid 63 and name N) (resid 63 and name CA) (resid 63 and name C) (resid 64 and name N) 1.0 -50.0 35.0 2
assign (resid 64 and name N) (resid 64 and name CA) (resid 64 and name C) (resid 65 and name N) 1.0 -40.0 35.0 2
assign (resid 65 and name N) (resid 65 and name CA) (resid 65 and name C) (resid 66 and name N) 1.0 -40.0 35.0 2
assign (resid 71 and name N) (resid 71 and name CA) (resid 71 and name C) (resid 72 and name N) 1.0 -40.0 35.0 2
assign (resid 72 and name N) (resid 72 and name CA) (resid 72 and name C) (resid 73 and name N) 1.0 -40.0 35.0 2
assign (resid 73 and name N) (resid 73 and name CA) (resid 73 and name C) (resid 74 and name N) 1.0 -40.0 35.0 2
assign (resid 74 and name N) (resid 74 and name CA) (resid 74 and name C) (resid 75 and name N) 1.0 -40.0 35.0 2
assign (resid 75 and name N) (resid 75 and name CA) (resid 75 and name C) (resid 76 and name N) 1.0 -40.0 35.0 2
assign (resid 76 and name N) (resid 76 and name CA) (resid 76 and name C) (resid 77 and name N) 1.0 -40.0 35.0 2
assign (resid 77 and name N) (resid 77 and name CA) (resid 77 and name C) (resid 78 and name N) 1.0 -40.0 35.0 2
assign (resid 78 and name N) (resid 78 and name CA) (resid 78 and name C) (resid 79 and name N) 1.0 -40.0 35.0 2
assign (resid 79 and name N) (resid 79 and name CA) (resid 79 and name C) (resid 80 and name N) 1.0 -40.0 35.0 2


loop_
     _Atom_shift_assign_ID
     _Residue_seq_code
     _Residue_label
     _Atom_name
     _Atom_type
     _Chem_shift_value
     _Chem_shift_value_error
     _Chem_shift_ambiguity_code

1 -5 GLY CA C 43.5300  . . 
2 -5 GLY HA1|2 H 4.0400  . . 
3 -4 PRO CA C 63.2000  . . 
4 -4 PRO CB C 32.3700  . . 
5 -4 PRO CG C 27.0500  . . 
6 -4 PRO CD C 49.6300  . . 
7 -4 PRO HA H 4.5300  . . 
8 -4 PRO HB1|2 H 2.3178  . . 
9 -4 PRO HG1|2 H 2.0400  . . 
10 -4 PRO HD1|2 H 3.6200  . . 
11 -3 LEU HN H 8.6200  . . 
12 -3 LEU N N 122.6100 . . 
13 -3 LEU CA C 55.2500  . . 
14 -3 LEU CB C 42.3400  . . 
15 -3 LEU CG C 27.0700  . . 
16 -3 LEU CD1|2 C 25.0500  . . 
17 -3 LEU CD1|2 C 23.5000  . . 
18 -3 LEU HA H 4.4363  . . 
19 -3 LEU HB1|2 H 1.7309  . . 
20 -3 LEU HG H 1.6317  . . 
21 -3 LEU HD1#|2# H 0.9565  . . 
22 -2 GLY HN H 8.5200  . . 
23 -2 GLY N N 110.2000 . . 
24 -2 GLY CA C 45.2500  . . 
25 -2 GLY HA1|2 H 4.0770  . . 
26 -1 SER HN H 8.4000  . . 
27 -1 SER N N 116.8400 . . 
28 -1 SER CA C 59.4000  . . 
29 -1 SER CB C 63.3460  . . 
30 -1 SER HA H 4.3522  . . 
31 -1 SER HB1|2 H 3.9247  . . 
32 1 ALA HN H 8.4600  . . 
33 1 ALA N N 126.0900 . . 
34 1 ALA CA C 53.7885  . . 
35 1 ALA CB C 18.8033  . . 
36 1 ALA HA H 4.3491  . . 
37 1 ALA HB# H 1.4860  . . 
38 2 ASP HN H 8.2500  . . 
39 2 ASP N N 119.9000 . . 
40 2 ASP CA C 55.4285  . . 
41 2 ASP CB C 41.4332  . . 
42 2 ASP HA H 4.6202  . . 
43 2 ASP HB1|2 H 2.8817  . . 
44 2 ASP HB1|2 H 2.7724  . . 
45 3 THR HN H 8.1500  . . 
46 3 THR N N 117.0800 . . 
47 3 THR CA C 67.7352  . . 
48 3 THR CB C 68.2100  . . 
49 3 THR 2 2 23.3870  . . 
50 3 THR HA H 3.9529  . . 
51 3 THR HB H 4.1633  . . 
52 3 THR 2# 2 1.1180  . . 
53 4 LEU HN H 8.5374  . . 
54 4 LEU N N 121.3981 . . 
55 4 LEU CA C 58.4930  . . 
56 4 LEU CB C 40.7890  . . 
57 4 LEU CG C 27.2552  . . 
58 4 LEU CD1|2 C 22.6690  . . 
59 4 LEU CD1|2 C 25.5125  . . 
60 4 LEU HA H 3.9866  . . 
61 4 LEU HB1|2 H 1.9854  . . 
62 4 LEU 2|HB1 2 1.5600  . . 
63 4 LEU HG H 1.5509  . . 
64 4 LEU HD1#|2# H 0.7700  . . 
65 4 LEU HD1#|2# H 0.9600  . . 
66 5 GLU HN H 8.7000  . . 
67 5 GLU N N 124.1800 . . 
68 5 GLU CA C 60.2906  . . 
69 5 GLU CB C 29.3541  . . 
70 5 GLU CG C 36.2910  . . 
71 5 GLU HA H 4.0247  . . 
72 5 GLU HB1|2 H 2.1800  . . 
73 5 GLU HB1|2 H 2.2300  . . 
74 5 GLU HG1|2 H 2.3100  . . 
75 5 GLU HG1|2 H 2.4200  . . 
76 6 ARG HN H 8.1200  . . 
77 6 ARG N N 119.7400 . . 
78 6 ARG CA C 59.7246  . . 
79 6 ARG CB C 32.5726  . . 
80 6 ARG CG C 27.2190  . . 
81 6 ARG CD C 44.6792  . . 
82 6 ARG HA H 4.0843  . . 
83 6 ARG HB1|2 H 2.0789  . . 
84 6 ARG HB1|2 H 1.9608  . . 
85 6 ARG HG1|2 H 1.7141  . . 
86 6 ARG HG1|2 H 1.9800  . . 
87 6 ARG HD1|2 H 3.3015  . . 
88 6 ARG HD1|2 H 3.0257  . . 
89 7 VAL HN H 8.7900  . . 
90 7 VAL N N 119.2200 . . 
91 7 VAL CA C 66.9383  . . 
92 7 VAL CB C 31.9191  . . 
93 7 VAL CG1|2 C 24.3348  . . 
94 7 VAL CG1|2 C 21.4790  . . 
95 7 VAL HA H 3.6607  . . 
96 7 VAL HB H 2.1885  . . 
97 7 VAL HG1#|2# H 1.1000  . . 
98 7 VAL HG1#|2# H 0.9500  . . 
99 8 THR HN H 8.6500  . . 
100 8 THR N N 116.8600 . . 
101 8 THR CA C 68.4050  . . 
102 8 THR CB C 68.5100  . . 
103 8 THR 2 2 20.4200  . . 
104 8 THR HA H 3.7100  . . 
105 8 THR HB H 4.4300  . . 
106 8 THR 2# 2 1.2508  . . 
107 9 LYS HN H 7.6039  . . 
108 9 LYS N N 120.3407 . . 
109 9 LYS CA C 59.6130  . . 
110 9 LYS CB C 32.1445  . . 
111 9 LYS CG C 24.7739  . . 
112 9 LYS CD C 28.9239  . . 
113 9 LYS CE C 42.2060  . . 
114 9 LYS HA H 3.9581  . . 
115 9 LYS HB1|2 H 1.9560  . . 
116 9 LYS HG1|2 H 1.4525  . . 
117 9 LYS HG1|2 H 1.5800  . . 
118 9 LYS HD1|2 H 1.6565  . . 
119 9 LYS HE1|2 H 3.0046  . . 
120 10 ILE HN H 7.1800  . . 
121 10 ILE N N 118.4300 . . 
122 10 ILE CA C 64.5400  . . 
123 10 ILE CB C 38.4500  . . 
124 10 ILE CG1 C 29.5214  . . 
125 10 ILE CG2 C 17.1736  . . 
126 10 ILE CD C 14.1182  . . 
127 10 ILE HA H 3.8757  . . 
128 10 ILE HB H 2.0135  . . 
129 10 ILE HG11|12 H 1.8000  . . 
130 10 ILE HG11|12 H 1.3100  . . 
131 10 ILE HG2# H 0.8900  . . 
132 10 ILE HD# H 0.8800  . . 
133 11 ILE HN H 8.1627  . . 
134 11 ILE N N 120.1274 . . 
135 11 ILE CA C 66.1900  . . 
136 11 ILE CB C 38.0900  . . 
137 11 ILE CG1 C 30.0393  . . 
138 11 ILE CG2 C 18.6231  . . 
139 11 ILE CD C 16.6970  . . 
140 11 ILE HA H 3.4970  . . 
141 11 ILE HB H 2.0413  . . 
142 11 ILE HG11|12 H 2.0900  . . 
143 11 ILE HG11|12 H 1.0400  . . 
144 11 ILE HG2# H 0.9100  . . 
145 11 ILE HD# H 0.9155  . . 
146 12 VAL HN H 8.7870  . . 
147 12 VAL N N 120.9983 . . 
148 12 VAL CA C 66.8968  . . 
149 12 VAL CB C 32.0926  . . 
150 12 VAL CG1|2 C 20.5609  . . 
151 12 VAL CG1|2 C 22.5660  . . 
152 12 VAL HA H 3.5299  . . 
153 12 VAL HB H 2.1953  . . 
154 12 VAL HG1#|2# H 1.0865  . . 
155 12 VAL HG1#|2# H 0.9876  . . 
156 13 ASP HN H 8.1600  . . 
157 13 ASP N N 119.4400 . . 
158 13 ASP CA C 57.1600  . . 
159 13 ASP CB C 40.8400  . . 
160 13 ASP HA H 4.4033  . . 
161 13 ASP HB1|2 H 2.8353  . . 
162 13 ASP HB1|2 H 2.6861  . . 
163 14 ARG HN H 8.3200  . . 
164 14 ARG N N 116.4000 . . 
165 14 ARG CA C 57.4000  . . 
166 14 ARG CB C 30.4258  . . 
167 14 ARG CG C 26.6580  . . 
168 14 ARG CD C 42.0691  . . 
169 14 ARG HA H 4.3434  . . 
170 14 ARG HB1|2 H 2.0615  . . 
171 14 ARG HB1|2 H 1.8969  . . 
172 14 ARG HG1|2 H 1.5687  . . 
173 14 ARG HG1|2 H 1.6605  . . 
174 14 ARG HD1|2 H 3.2000  . . 
175 14 ARG HD1|2 H 3.3000  . . 
176 15 LEU HN H 8.7400  . . 
177 15 LEU N N 114.5500 . . 
178 15 LEU CA C 54.6100  . . 
179 15 LEU CB C 42.3000  . . 
180 15 LEU CG C 26.7210  . . 
181 15 LEU CD1|2 C 22.2021  . . 
182 15 LEU HA H 4.6180  . . 
183 15 LEU HB1|2 H 1.9902  . . 
184 15 LEU 2|HB1 2 1.7580  . . 
185 15 LEU HD1#|2# H 0.8227  . . 
186 15 LEU HD1#|2# H 0.9935  . . 
187 16 GLY HN H 8.0400  . . 
188 16 GLY N N 108.9600 . . 
189 16 GLY CA C 47.0084  . . 
190 16 GLY HA1|2 H 4.0624  . . 
191 16 GLY HA1|2 H 3.9487  . . 
192 17 VAL HN H 6.4000  . . 
193 17 VAL N N 109.4500 . . 
194 17 VAL CA C 58.8975  . . 
195 17 VAL CB C 32.6744  . . 
196 17 VAL CG1|2 C 19.4285  . . 
197 17 VAL CG1|2 C 22.4646  . . 
198 17 VAL HA H 4.4320  . . 
199 17 VAL HB H 2.4872  . . 
200 17 VAL HG1#|2# H 0.6950  . . 
201 17 VAL HG1#|2# H 0.9700  . . 
202 18 ASP HN H 8.5635  . . 
203 18 ASP N N 121.1378 . . 
204 18 ASP CA C 53.9500  . . 
205 18 ASP CB C 42.5500  . . 
206 18 ASP HA H 4.5844  . . 
207 18 ASP HB1|2 H 2.5682  . . 
208 18 ASP HB1|2 H 2.6697  . . 
209 19 GLU HN H 8.9600  . . 
210 19 GLU N N 125.6200 . . 
211 19 GLU CA C 60.2381  . . 
212 19 GLU CB C 29.2443  . . 
213 19 GLU CG C 36.2356  . . 
214 19 GLU HA H 3.6353  . . 
215 19 GLU HB1|2 H 2.0245  . . 
216 19 GLU HB1|2 H 1.9800  . . 
217 19 GLU HG1|2 H 2.2585  . . 
218 20 ALA HN H 8.7104  . . 
219 20 ALA N N 120.2743 . . 
220 20 ALA CA C 53.9615  . . 
221 20 ALA CB C 18.5750  . . 
222 20 ALA HA H 4.0690  . . 
223 20 ALA HB# H 1.3773  . . 
224 21 ASP HN H 7.7552  . . 
225 21 ASP N N 114.9379 . . 
226 21 ASP CA C 54.8256  . . 
227 21 ASP CB C 40.9824  . . 
228 21 ASP HA H 4.5786  . . 
229 21 ASP HB1|2 H 2.6869  . . 
230 22 VAL HN H 7.6000  . . 
231 22 VAL N N 121.5400 . . 
232 22 VAL CA C 63.8477  . . 
233 22 VAL CB C 29.2863  . . 
234 22 VAL CG1|2 C 24.0204  . . 
235 22 VAL CG1|2 C 22.3278  . . 
236 22 VAL HA H 3.5340  . . 
237 22 VAL HB H 2.3698  . . 
238 22 VAL HG1#|2# H 0.9300  . . 
239 22 VAL HG1#|2# H 0.8800  . . 
240 23 LYS HN H 6.7100  . . 
241 23 LYS N N 125.2300 . . 
242 23 LYS CA C 53.4424  . . 
243 23 LYS CB C 35.2857  . . 
244 23 LYS CG C 24.5975  . . 
245 23 LYS CD C 29.0238  . . 
246 23 LYS CE C 42.2352  . . 
247 23 LYS HA H 4.6457  . . 
248 23 LYS HB1|2 H 2.1148  . . 
249 23 LYS HB1|2 H 1.4828  . . 
250 23 LYS HG1 H 1.3000  . . 
251 23 LYS 2 2 1.3800  . . 
252 23 LYS HD1|2 H 1.7100  . . 
253 23 LYS HE1|2 H 3.0251  . . 
254 24 LEU HN H 8.8133  . . 
255 24 LEU N N 121.3330 . . 
256 24 LEU CA C 58.0785  . . 
257 24 LEU CB C 41.2714  . . 
258 24 LEU CG C 26.9730  . . 
259 24 LEU CD1|2 C 23.0091  . . 
260 24 LEU CD1|2 C 25.2563  . . 
261 24 LEU HA H 3.6800  . . 
262 24 LEU HB1|2 H 1.8000  . . 
263 24 LEU HB1|2 H 1.4200  . . 
264 24 LEU HG H 1.8300  . . 
265 24 LEU HD1#|2# H 0.8500  . . 
266 24 LEU HD1#|2# H 0.9600  . . 
267 25 GLU HN H 9.0400  . . 
268 25 GLU N N 114.2600 . . 
269 25 GLU CA C 56.7800  . . 
270 25 GLU CB C 28.8120  . . 
271 25 GLU CG C 36.0469  . . 
272 25 GLU HA H 4.1964  . . 
273 25 GLU HB1|2 H 2.0000  . . 
274 25 GLU HB1|2 H 2.0800  . . 
275 25 GLU HG1|2 H 2.2500  . . 
276 26 ALA HN H 7.6900  . . 
277 26 ALA N N 123.1000 . . 
278 26 ALA CA C 52.2181  . . 
279 26 ALA CB C 18.7904  . . 
280 26 ALA HA H 4.3491  . . 
281 26 ALA HB# H 1.4044  . . 
282 27 SER HN H 10.0100  . . 
283 27 SER N N 118.5700 . . 
284 27 SER CA C 55.9287  . . 
285 27 SER CB C 63.5943  . . 
286 27 SER HA H 4.7630  . . 
287 27 SER HB1|2 H 3.9156  . . 
288 27 SER HB1|2 H 4.0782  . . 
289 28 PHE HN H 8.2233  . . 
290 28 PHE N N 125.9693 . . 
291 28 PHE CA C 61.9737  . . 
292 28 PHE CB C 38.2329  . . 
293 28 PHE CD C 130.7500 . . 
294 28 PHE CE C 127.7200 . . 
295 28 PHE HA H 4.1367  . . 
296 28 PHE HB1|2 H 2.8759  . . 
297 28 PHE HB1|2 H 2.9881  . . 
298 28 PHE HD1|2 H 6.9700  . . 
299 28 PHE HE1|2 H 6.7800  . . 
300 29 LYS HN H 8.7200  . . 
301 29 LYS N N 115.8600 . . 
302 29 LYS CA C 58.4806  . . 
303 29 LYS CB C 33.0113  . . 
304 29 LYS CG C 25.1185  . . 
305 29 LYS CD C 29.4451  . . 
306 29 LYS CE C 41.9547  . . 
307 29 LYS HA H 4.7572  . . 
308 29 LYS HB1|2 H 1.8320  . . 
309 29 LYS HG1|2 H 1.5489  . . 
310 29 LYS HG1|2 H 1.3000  . . 
311 29 LYS HD1|2 H 1.7400  . . 
312 29 LYS HE1|2 H 2.9542  . . 
313 30 GLU HN H 8.1800  . . 
314 30 GLU N N 115.5900 . . 
315 30 GLU CA C 59.3800  . . 
316 30 GLU CB C 29.7610  . . 
317 30 GLU CG C 36.8294  . . 
318 30 GLU HA H 4.2049  . . 
319 30 GLU HB1|2 H 2.0786  . . 
320 30 GLU HB1|2 H 1.9079  . . 
321 30 GLU HG1|2 H 2.3278  . . 
322 31 ASP HN H 7.8700  . . 
323 31 ASP N N 114.8400 . . 
324 31 ASP CA C 56.2510  . . 
325 31 ASP CB C 42.0997  . . 
326 31 ASP HA H 4.9900  . . 
327 31 ASP HB1|2 H 2.7740  . . 
328 31 ASP HB1|2 H 3.1416  . . 
329 32 LEU HN H 7.3700  . . 
330 32 LEU N N 115.5900 . . 
331 32 LEU CA C 54.3359  . . 
332 32 LEU CB C 41.4647  . . 
333 32 LEU CG C 26.4600  . . 
334 32 LEU CD1|2 C 22.4000  . . 
335 32 LEU CD1|2 C 26.2900  . . 
336 32 LEU HA H 4.5850  . . 
337 32 LEU HB1|2 H 2.3229  . . 
338 32 LEU HB1|2 H 1.7106  . . 
339 32 LEU HG H 1.5200  . . 
340 32 LEU HD1#|2# H 0.7450  . . 
341 32 LEU HD1#|2# H 0.6900  . . 
342 33 GLY HN H 7.2600  . . 
343 33 GLY N N 105.8600 . . 
344 33 GLY CA C 46.4980  . . 
345 33 GLY HA1|2 H 3.8674  . . 
346 33 GLY HA1|2 H 3.9528  . . 
347 34 ALA HN H 8.4600  . . 
348 34 ALA N N 123.3500 . . 
349 34 ALA CA C 51.4851  . . 
350 34 ALA CB C 20.5511  . . 
351 34 ALA HA H 4.5962  . . 
352 34 ALA HB# H 1.2508  . . 
353 35 ASP HN H 9.2400  . . 
354 35 ASP N N 122.5100 . . 
355 35 ASP CA C 52.1307  . . 
356 35 ASP CB C 41.8246  . . 
357 35 ASP HA H 4.9020  . . 
358 35 ASP HB1|2 H 3.1981  . . 
359 35 ASP HB1|2 H 2.8247  . . 
360 36 SER HN H 8.7600  . . 
361 36 SER N N 112.7300 . . 
362 36 SER CA C 60.9389  . . 
363 36 SER CB C 65.5145  . . 
364 36 SER HA H 4.1796  . . 
365 36 SER HB1|2 H 4.1280  . . 
366 37 LEU HN H 7.9900  . . 
367 37 LEU N N 124.4100 . . 
368 37 LEU CA C 57.6143  . . 
369 37 LEU CB C 40.8533  . . 
370 37 LEU CG C 27.1738  . . 
371 37 LEU CD1|2 C 24.1673  . . 
372 37 LEU CD1|2 C 24.3700  . . 
373 37 LEU HA H 4.1987  . . 
374 37 LEU HB1|2 H 1.7690  . . 
375 37 LEU HG H 1.6600  . . 
376 37 LEU HD1#|2# H 0.9407  . . 
377 37 LEU HD1#|2# H 0.9000  . . 
378 38 ASP HN H 8.3455  . . 
379 38 ASP N N 119.9904 . . 
380 38 ASP CA C 57.4600  . . 
381 38 ASP CB C 41.6700  . . 
382 38 ASP HA H 4.3200  . . 
383 38 ASP HB1|2 H 2.3300  . . 
384 38 ASP HB1|2 H 3.1500  . . 
385 39 VAL HN H 7.8100  . . 
386 39 VAL N N 117.5100 . . 
387 39 VAL CA C 67.3524  . . 
388 39 VAL CB C 31.1756  . . 
389 39 VAL CG1|2 C 23.1085  . . 
390 39 VAL CG1|2 C 21.4147  . . 
391 39 VAL HA H 3.3027  . . 
392 39 VAL HB H 2.1159  . . 
393 39 VAL HG1#|2# H 0.8653  . . 
394 39 VAL HG1#|2# H 0.8100  . . 
395 40 VAL HN H 7.4000  . . 
396 40 VAL N N 119.8000 . . 
397 40 VAL CA C 66.5814  . . 
398 40 VAL CB C 31.7889  . . 
399 40 VAL CG1|2 C 22.9102  . . 
400 40 VAL CG1|2 C 21.1243  . . 
401 40 VAL HA H 3.5869  . . 
402 40 VAL HB H 2.2681  . . 
403 40 VAL HG1#|2# H 1.1219  . . 
404 40 VAL HG1#|2# H 1.0167  . . 
405 41 GLU HN H 7.9600  . . 
406 41 GLU N N 118.7100 . . 
407 41 GLU CA C 59.3822  . . 
408 41 GLU CB C 28.8964  . . 
409 41 GLU CG C 36.3286  . . 
410 41 GLU HA H 4.0812  . . 
411 41 GLU HB1|2 H 2.0800  . . 
412 41 GLU HG1|2 H 2.5189  . . 
413 41 GLU HG1|2 H 2.2700  . . 
414 42 LEU HN H 8.5000  . . 
415 42 LEU N N 121.9700 . . 
416 42 LEU CA C 58.3224  . . 
417 42 LEU CB C 41.9720  . . 
418 42 LEU CG C 27.0072  . . 
419 42 LEU CD1|2 C 25.3810  . . 
420 42 LEU HA H 3.8922  . . 
421 42 LEU HB1|2 H 1.6805  . . 
422 42 LEU HB1|2 H 1.5149  . . 
423 42 LEU HG H 1.5600  . . 
424 42 LEU HD1#|2# H 0.5404  . . 
425 42 LEU HD1#|2# H 0.4900  . . 
426 43 VAL HN H 8.4621  . . 
427 43 VAL N N 119.9763 . . 
428 43 VAL CA C 67.7089  . . 
429 43 VAL CB C 30.9822  . . 
430 43 VAL CG1|2 C 23.1656  . . 
431 43 VAL CG1|2 C 21.7771  . . 
432 43 VAL HA H 3.3715  . . 
433 43 VAL HB H 2.2236  . . 
434 43 VAL HG1#|2# H 0.9200  . . 
435 43 VAL HG1#|2# H 0.8200  . . 
436 44 MET HN H 7.7613  . . 
437 44 MET N N 118.3709 . . 
438 44 MET CA C 59.2503  . . 
439 44 MET CB C 32.8491  . . 
440 44 MET CG C 32.3337  . . 
441 44 MET CE C 16.9800  . . 
442 44 MET HA H 4.4569  . . 
443 44 MET HB1|2 H 2.2610  . . 
444 44 MET HG1|2 H 2.8200  . . 
445 44 MET HG1|2 H 2.6100  . . 
446 44 MET HE# H 2.1200  . . 
447 45 GLU HN H 8.0700  . . 
448 45 GLU N N 120.0500 . . 
449 45 GLU CA C 59.6273  . . 
450 45 GLU CB C 29.1870  . . 
451 45 GLU CG C 35.9909  . . 
452 45 GLU HA H 4.2785  . . 
453 45 GLU HB1|2 H 2.2545  . . 
454 45 GLU HB1|2 H 2.1605  . . 
455 45 GLU HG1|2 H 2.4245  . . 
456 45 GLU HG1|2 H 2.5200  . . 
457 46 LEU HN H 8.6500  . . 
458 46 LEU N N 121.3800 . . 
459 46 LEU CA C 58.4227  . . 
460 46 LEU CB C 41.3227  . . 
461 46 LEU CG C 26.2046  . . 
462 46 LEU CD1|2 C 24.1527  . . 
463 46 LEU CD1|2 C 24.9277  . . 
464 46 LEU HA H 4.2027  . . 
465 46 LEU HB1|2 H 2.3200  . . 
466 46 LEU HB1|2 H 1.3600  . . 
467 46 LEU HG H 0.9800  . . 
468 46 LEU HD1#|2# H 1.0264  . . 
469 46 LEU HD1#|2# H 0.7700  . . 
470 47 GLU HN H 8.5500  . . 
471 47 GLU N N 119.0600 . . 
472 47 GLU CA C 60.1410  . . 
473 47 GLU CB C 30.1427  . . 
474 47 GLU CG C 37.1136  . . 
475 47 GLU HA H 3.9667  . . 
476 47 GLU HB1|2 H 2.2300  . . 
477 47 GLU HB1|2 H 2.5800  . . 
478 47 GLU HG1|2 H 2.8000  . . 
479 47 GLU HG1|2 H 2.2100  . . 
480 48 ASP HN H 7.6284  . . 
481 48 ASP N N 117.4887 . . 
482 48 ASP CA C 56.5762  . . 
483 48 ASP CB C 41.2471  . . 
484 48 ASP HA H 4.5681  . . 
485 48 ASP HB1|2 H 2.8267  . . 
486 49 GLU HN H 8.4700  . . 
487 49 GLU N N 120.4500 . . 
488 49 GLU CA C 58.1193  . . 
489 49 GLU CB C 29.4366  . . 
490 49 GLU CG C 34.6928  . . 
491 49 GLU HA H 4.0107  . . 
492 49 GLU HB1|2 H 2.1200  . . 
493 49 GLU HB1|2 H 1.7049  . . 
494 49 GLU HG1|2 H 1.8900  . . 
495 49 GLU HG1|2 H 0.9928  . . 
496 50 PHE HN H 8.0600  . . 
497 50 PHE N N 112.7100 . . 
498 50 PHE CA C 58.4982  . . 
499 50 PHE CB C 38.7773  . . 
500 50 PHE CD C 132.4400 . . 
501 50 PHE CE C 130.1300 . . 
502 50 PHE HA H 4.4932  . . 
503 50 PHE HB1|2 H 3.4188  . . 
504 50 PHE HB1|2 H 2.7690  . . 
505 50 PHE HD1|2 H 7.5800  . . 
506 50 PHE HE1|2 H 7.1800  . . 
507 51 ASP HN H 7.7864  . . 
508 51 ASP N N 121.7356 . . 
509 51 ASP CA C 54.8934  . . 
510 51 ASP CB C 38.9500  . . 
511 51 ASP HA H 4.4690  . . 
512 51 ASP HB1|2 H 3.1510  . . 
513 51 ASP HB1|2 H 2.5310  . . 
514 52 MET HN H 8.4500  . . 
515 52 MET N N 115.6500 . . 
516 52 MET CA C 54.0768  . . 
517 52 MET CB C 36.3670  . . 
518 52 MET CG C 31.2293  . . 
519 52 MET CE C 17.4600  . . 
520 52 MET HA H 4.8938  . . 
521 52 MET HB1|2 H 2.0900  . . 
522 52 MET HB1|2 H 1.9500  . . 
523 52 MET HG1|2 H 2.4842  . . 
524 52 MET HG1|2 H 2.3380  . . 
525 52 MET HE# H 2.0000  . . 
526 53 GLU HN H 8.3645  . . 
527 53 GLU N N 120.2770 . . 
528 53 GLU CA C 55.1955  . . 
529 53 GLU CB C 31.5860  . . 
530 53 GLU CG C 36.1564  . . 
531 53 GLU HA H 4.6500  . . 
532 53 GLU HB1|2 H 2.1193  . . 
533 53 GLU HB1|2 H 2.2074  . . 
534 53 GLU HG1|2 H 1.9013  . . 
535 54 ILE HN H 9.5600  . . 
536 54 ILE N N 127.8600 . . 
537 54 ILE CA C 60.7349  . . 
538 54 ILE CB C 38.5086  . . 
539 54 ILE CG1 C 27.4838  . . 
540 54 ILE CG2 C 16.0969  . . 
541 54 ILE CD C 12.5051  . . 
542 54 ILE HA H 4.2891  . . 
543 54 ILE HB H 1.5583  . . 
544 54 ILE HG11|12 H 1.5000  . . 
545 54 ILE HG11|12 H 0.9600  . . 
546 54 ILE HG2# H 0.5700  . . 
547 54 ILE HD# H 0.5830  . . 
548 55 SER HN H 9.0500  . . 
549 55 SER N N 125.4900 . . 
550 55 SER CA C 57.9456  . . 
551 55 SER CB C 64.4839  . . 
552 55 SER HA H 4.4000  . . 
553 55 SER HB1|2 H 4.3000  . . 
554 55 SER HB1|2 H 4.0900  . . 
555 56 ASP HN H 8.8600  . . 
556 56 ASP N N 122.7500 . . 
557 56 ASP CA C 57.7270  . . 
558 56 ASP CB C 39.7000  . . 
559 56 ASP HA H 4.3084  . . 
560 56 ASP HB1|2 H 2.7206  . . 
561 56 ASP HB1|2 H 2.6110  . . 
562 57 GLU HN H 8.5800  . . 
563 57 GLU N N 118.5700 . . 
564 57 GLU CA C 59.3360  . . 
565 57 GLU CB C 29.2075  . . 
566 57 GLU CG C 36.5248  . . 
567 57 GLU HA H 4.0198  . . 
568 57 GLU HB1|2 H 1.9606  . . 
569 57 GLU HG1|2 H 2.3009  . . 
570 58 ASP HN H 7.6649  . . 
571 58 ASP N N 120.2465 . . 
572 58 ASP CA C 56.6600  . . 
573 58 ASP CB C 40.0926  . . 
574 58 ASP HA H 4.4435  . . 
575 58 ASP HB1|2 H 2.7022  . . 
576 58 ASP HB1|2 H 2.2713  . . 
577 59 ALA HN H 8.6172  . . 
578 59 ALA N N 123.3045 . . 
579 59 ALA CA C 54.9506  . . 
580 59 ALA CB C 18.2274  . . 
581 59 ALA HA H 3.6719  . . 
582 59 ALA HB# H 1.3933  . . 
583 60 GLU HN H 7.4900  . . 
584 60 GLU N N 115.3200 . . 
585 60 GLU CA C 57.9956  . . 
586 60 GLU CB C 29.6806  . . 
587 60 GLU CG C 36.0403  . . 
588 60 GLU HA H 4.0250  . . 
589 60 GLU HB1|2 H 2.0862  . . 
590 60 GLU HG1|2 H 2.3482  . . 
591 60 GLU HG1|2 H 2.4254  . . 
592 61 LYS HN H 7.1900  . . 
593 61 LYS N N 115.6200 . . 
594 61 LYS CA C 55.8446  . . 
595 61 LYS CB C 32.7785  . . 
596 61 LYS CG C 25.1594  . . 
597 61 LYS CD C 29.3103  . . 
598 61 LYS CE C 42.2884  . . 
599 61 LYS HA H 4.3166  . . 
600 61 LYS HB1|2 H 2.1055  . . 
601 61 LYS HB1|2 H 1.8855  . . 
602 61 LYS HG1|2 H 1.6802  . . 
603 61 LYS HG1|2 H 1.7000  . . 
604 61 LYS HD1|2 H 1.4872  . . 
605 61 LYS HE1|2 H 3.0407  . . 
606 62 ILE HN H 7.3100  . . 
607 62 ILE N N 121.6100 . . 
608 62 ILE CA C 61.8550  . . 
609 62 ILE CB C 36.7340  . . 
610 62 ILE CG1 C 27.5037  . . 
611 62 ILE CG2 C 17.3997  . . 
612 62 ILE CD C 12.2600  . . 
613 62 ILE HA H 3.9587  . . 
614 62 ILE HB H 1.9630  . . 
615 62 ILE HG11|12 H 1.6966  . . 
616 62 ILE HG11|12 H 0.7500  . . 
617 62 ILE HG2# H 0.8826  . . 
618 62 ILE HD# H 0.4184  . . 
619 63 ALA HN H 9.0700  . . 
620 63 ALA N N 130.8100 . . 
621 63 ALA CA C 52.8011  . . 
622 63 ALA CB C 21.5856  . . 
623 63 ALA HA H 4.8220  . . 
624 63 ALA HB# H 1.6000  . . 
625 64 THR HN H 8.4300  . . 
626 64 THR N N 110.2500 . . 
627 64 THR CA C 58.1844  . . 
628 64 THR CB C 73.5000  . . 
629 64 THR 2 2 21.2065  . . 
630 64 THR HA H 5.0110  . . 
631 64 THR HB H 4.2780  . . 
632 64 THR 2# 2 1.0070  . . 
633 65 VAL HN H 7.9468  . . 
634 65 VAL N N 120.6196 . . 
635 65 VAL CA C 66.6823  . . 
636 65 VAL CB C 31.4222  . . 
637 65 VAL CG1|2 C 23.1125  . . 
638 65 VAL CG1|2 C 20.3657  . . 
639 65 VAL HA H 3.2987  . . 
640 65 VAL HB H 2.4422  . . 
641 65 VAL HG1#|2# H 0.7921  . . 
642 65 VAL HG1#|2# H 0.5854  . . 
643 66 GLY HN H 9.3800  . . 
644 66 GLY N N 107.7600 . . 
645 66 GLY CA C 47.4230  . . 
646 66 GLY HA1|2 H 3.6930  . . 
647 66 GLY HA1|2 H 3.8946  . . 
648 67 ASP HN H 8.2200  . . 
649 67 ASP N N 122.1100 . . 
650 67 ASP CA C 57.2803  . . 
651 67 ASP CB C 41.8680  . . 
652 67 ASP HA H 4.5089  . . 
653 67 ASP HB1|2 H 2.8687  . . 
654 67 ASP HB1|2 H 3.2668  . . 
655 68 ALA HN H 7.7817  . . 
656 68 ALA N N 122.8589 . . 
657 68 ALA CA C 55.4620  . . 
658 68 ALA CB C 16.7754  . . 
659 68 ALA HA H 4.0200  . . 
660 68 ALA HB# H 1.5700  . . 
661 69 VAL HN H 8.3000  . . 
662 69 VAL N N 117.1200 . . 
663 69 VAL CA C 66.8134  . . 
664 69 VAL CB C 31.8068  . . 
665 69 VAL CG1|2 C 23.1962  . . 
666 69 VAL CG1|2 C 20.8322  . . 
667 69 VAL HA H 3.2930  . . 
668 69 VAL HB H 2.0770  . . 
669 69 VAL HG1#|2# H 0.9200  . . 
670 69 VAL HG1#|2# H 0.8955  . . 
671 70 ASN HN H 8.7100  . . 
672 70 ASN N N 117.2600 . . 
673 70 ASN CA C 55.9496  . . 
674 70 ASN CB C 38.0840  . . 
675 70 ASN HA H 4.3744  . . 
676 70 ASN HB1|2 H 2.7562  . . 
677 70 ASN HB1|2 H 2.8747  . . 
678 70 ASN ND2 N 111.9500 . . 
679 70 ASN 21|HD22 2 7.5600  . . 
680 70 ASN 21|HD22 2 6.8100  . . 
681 71 TYR HN H 7.9519  . . 
682 71 TYR N N 120.2556 . . 
683 71 TYR CA C 62.1013  . . 
684 71 TYR CB C 38.1900  . . 
685 71 TYR CD C 132.3000 . . 
686 71 TYR CE C 118.2000 . . 
687 71 TYR HA H 4.0052  . . 
688 71 TYR HB1|2 H 3.0828  . . 
689 71 TYR HD1|2 H 6.9200  . . 
690 71 TYR HE1|2 H 6.7300  . . 
691 72 ILE HN H 7.8600  . . 
692 72 ILE N N 119.0300 . . 
693 72 ILE CA C 64.5374  . . 
694 72 ILE CB C 38.1800  . . 
695 72 ILE CG1 C 28.8876  . . 
696 72 ILE CG2 C 17.4149  . . 
697 72 ILE CD C 14.0131  . . 
698 72 ILE HA H 3.3770  . . 
699 72 ILE HB H 1.5290  . . 
700 72 ILE HG11|12 H 1.5300  . . 
701 72 ILE HG11|12 H 0.8300  . . 
702 72 ILE HG2# H 0.1800  . . 
703 72 ILE HD# H 0.2000  . . 
704 73 GLN HN H 8.3600  . . 
705 73 GLN N N 117.0800 . . 
706 73 GLN CA C 58.0560  . . 
707 73 GLN CB C 29.0270  . . 
708 73 GLN CG C 34.8047  . . 
709 73 GLN HA H 4.0290  . . 
710 73 GLN HB1|2 H 2.1300  . . 
711 73 GLN HB1|2 H 2.0800  . . 
712 73 GLN HG1|2 H 2.5300  . . 
713 73 GLN HG1|2 H 2.3500  . . 
714 73 GLN NE2 N 110.4100 . . 
715 73 GLN HE21|22 H 7.3200  . . 
716 73 GLN HE21|22 H 6.8200  . . 
717 74 ASN HN H 7.7704  . . 
718 74 ASN N N 116.2448 . . 
719 74 ASN CA C 53.9296  . . 
720 74 ASN CB C 38.7038  . . 
721 74 ASN HA H 4.6838  . . 
722 74 ASN HB1|2 H 2.7695  . . 
723 74 ASN ND2 N 112.3800 . . 
724 74 ASN HD21|22 H 7.5000  . . 
725 74 ASN HD21|22 H 6.8100  . . 
726 75 GLN HN H 7.5300  . . 
727 75 GLN N N 118.6100 . . 
728 75 GLN CA C 55.3476  . . 
729 75 GLN CB C 28.9238  . . 
730 75 GLN CG C 33.4702  . . 
731 75 GLN HA H 4.2820  . . 
732 75 GLN HB1|2 H 2.2197  . . 
733 75 GLN HB1|2 H 1.8918  . . 
734 75 GLN HG1|2 H 2.3252  . . 
735 75 GLN HG1|2 H 2.2300  . . 
736 75 GLN NE2 N 113.3500 . . 
737 75 GLN HE21|22 H 7.0800  . . 
738 75 GLN HE21|22 H 6.6900  . . 
739 76 GLN HN H 7.6300  . . 
740 76 GLN N N 125.3500 . . 
741 76 GLN CA C 57.3795  . . 
742 76 GLN CB C 30.2137  . . 
743 76 GLN CG C 34.2900  . . 
744 76 GLN HA H 4.1300  . . 
745 76 GLN HB1|2 H 2.1700  . . 
746 76 GLN HB1|2 H 1.9900  . . 
747 76 GLN HG1|2 H 2.3900  . . 
748 76 GLN NE2 N 111.8800 . . 
749 76 GLN HE21|22 H 7.4200  . . 
750 76 GLN HE21|22 H 6.8400  . . 

     stop_

  Entry H atom name         Submitted Coord H atom name
    1    H    ALA   1           HN       ALA   1  11.478   8.281   2.909
    2    HA   ALA   1           HA       ALA   1   9.930  10.484   2.212
    3   1HB   ALA   1          1HB       ALA   1  12.031  11.295   2.156
    4   2HB   ALA   1          2HB       ALA   1  12.158  10.645   0.521
    5   3HB   ALA   1          3HB       ALA   1  12.700   9.684   1.898
    6    H    ASP   2           HN       ASP   2  11.697   8.745  -0.338
    7    HA   ASP   2           HA       ASP   2   9.732   9.531  -2.331
    8   1HB   ASP   2          1HB       ASP   2  12.333   8.168  -2.285
    9   2HB   ASP   2          2HB       ASP   2  11.219   7.492  -3.473
   10    H    THR   3           HN       THR   3  10.319   6.744  -0.314
   11    HA   THR   3           HA       THR   3   8.708   4.830  -1.699
   12    HB   THR   3           HB       THR   3   8.819   4.855   1.287
   13    HG1  THR   3           HG1      THR   3  10.946   4.453   1.309
   14   1HG2  THR   3          1HG2      THR   3   9.527   2.442   0.720
   15   2HG2  THR   3          2HG2      THR   3   9.046   2.830  -0.932
   16   3HG2  THR   3          3HG2      THR   3   7.861   2.902   0.373
   17    H    LEU   4           HN       LEU   4   7.842   6.528   1.317
   18    HA   LEU   4           HA       LEU   4   5.119   6.006   1.370
   19   1HB   LEU   4          1HB       LEU   4   6.688   7.473   2.933
   20   2HB   LEU   4          2HB       LEU   4   5.970   8.797   2.016
   21    HG   LEU   4           HG       LEU   4   3.708   7.900   2.567
   22   1HD1  LEU   4          1HD1      LEU   4   3.887   5.642   3.027
   23   2HD1  LEU   4          2HD1      LEU   4   3.907   6.274   4.672
   24   3HD1  LEU   4          3HD1      LEU   4   5.418   5.829   3.880
   25   1HD2  LEU   4          1HD2      LEU   4   4.357   8.163   5.261
   26   2HD2  LEU   4          2HD2      LEU   4   3.974   9.486   4.160
   27   3HD2  LEU   4          3HD2      LEU   4   5.654   9.030   4.438
   28    H    GLU   5           HN       GLU   5   6.501   8.976  -0.062
   29    HA   GLU   5           HA       GLU   5   4.146   9.926  -1.243
   30   1HB   GLU   5          1HB       GLU   5   7.029  10.352  -1.624
   31   2HB   GLU   5          2HB       GLU   5   6.075  10.637  -3.080
   32   1HG   GLU   5          1HG       GLU   5   4.521  11.881  -1.226
   33   2HG   GLU   5          2HG       GLU   5   6.120  12.140  -0.529
   34    H    ARG   6           HN       ARG   6   6.539   7.651  -2.553
   35    HA   ARG   6           HA       ARG   6   5.348   7.300  -5.112
   36   1HB   ARG   6          1HB       ARG   6   7.555   6.383  -4.685
   37   2HB   ARG   6          2HB       ARG   6   6.935   5.384  -3.374
   38   1HG   ARG   6          1HG       ARG   6   7.297   4.083  -5.466
   39   2HG   ARG   6          2HG       ARG   6   5.610   4.072  -4.953
   40   1HD   ARG   6          1HD       ARG   6   4.996   4.958  -6.921
   41   2HD   ARG   6          2HD       ARG   6   6.020   6.359  -6.620
   42    HE   ARG   6           HE       ARG   6   7.524   4.052  -7.569
   43   1HH1  ARG   6          1HH1      ARG   6   8.946   5.867  -8.734
   44   2HH1  ARG   6          2HH1      ARG   6   8.166   6.428 -10.175
   45   1HH2  ARG   6          1HH2      ARG   6   5.058   5.162  -9.301
   46   2HH2  ARG   6          2HH2      ARG   6   5.964   6.027 -10.496
   47    H    VAL   7           HN       VAL   7   5.070   5.152  -2.287
   48    HA   VAL   7           HA       VAL   7   2.938   3.596  -3.232
   49    HB   VAL   7           HB       VAL   7   3.342   4.402  -0.344
   50   1HG1  VAL   7          1HG1      VAL   7   1.941   2.216  -1.821
   51   2HG1  VAL   7          2HG1      VAL   7   1.453   3.079  -0.364
   52   3HG1  VAL   7          3HG1      VAL   7   2.687   1.824  -0.272
   53   1HG2  VAL   7          1HG2      VAL   7   4.783   2.275  -0.349
   54   2HG2  VAL   7          2HG2      VAL   7   5.499   3.708  -1.076
   55   3HG2  VAL   7          3HG2      VAL   7   4.821   2.446  -2.098
   56    H    THR   8           HN       THR   8   2.915   6.685  -1.514
   57    HA   THR   8           HA       THR   8   0.120   6.877  -1.068
   58    HB   THR   8           HB       THR   8   2.077   9.112  -1.685
   59    HG1  THR   8           HG1      THR   8   2.434   9.140   0.474
   60   1HG2  THR   8          1HG2      THR   8  -0.152   9.961  -1.874
   61   2HG2  THR   8          2HG2      THR   8   0.421  10.426  -0.272
   62   3HG2  THR   8          3HG2      THR   8  -0.683   9.062  -0.453
   63    H    LYS   9           HN       LYS   9   2.091   7.718  -3.890
   64    HA   LYS   9           HA       LYS   9  -0.083   8.857  -5.402
   65   1HB   LYS   9          1HB       LYS   9   2.686   8.480  -5.774
   66   2HB   LYS   9          2HB       LYS   9   1.909   7.580  -7.077
   67   1HG   LYS   9          1HG       LYS   9   1.208   9.469  -8.110
   68   2HG   LYS   9          2HG       LYS   9   0.676  10.198  -6.594
   69   1HD   LYS   9          1HD       LYS   9   2.479  11.554  -7.440
   70   2HD   LYS   9          2HD       LYS   9   3.110  10.646  -6.065
   71   1HE   LYS   9          1HE       LYS   9   4.696   9.759  -7.388
   72   2HE   LYS   9          2HE       LYS   9   3.441   9.026  -8.387
   73   1HZ   LYS   9          1HZ       LYS   9   3.912  11.869  -8.779
   74   2HZ   LYS   9          2HZ       LYS   9   3.575  10.653  -9.918
   75   3HZ   LYS   9          3HZ       LYS   9   5.148  10.831  -9.300
   76    H    ILE  10           HN       ILE  10   1.276   5.610  -5.084
   77    HA   ILE  10           HA       ILE  10  -0.409   4.410  -7.085
   78    HB   ILE  10           HB       ILE  10   1.069   3.207  -4.729
   79   1HG1  ILE  10          1HG1      ILE  10   1.866   3.197  -7.646
   80   2HG1  ILE  10          2HG1      ILE  10   2.370   4.483  -6.548
   81   1HG2  ILE  10          1HG2      ILE  10   0.064   1.856  -7.238
   82   2HG2  ILE  10          2HG2      ILE  10  -0.806   1.829  -5.704
   83   3HG2  ILE  10          3HG2      ILE  10   0.791   1.090  -5.825
   84   1HD1  ILE  10          1HD1      ILE  10   3.988   3.178  -5.689
   85   2HD1  ILE  10          2HD1      ILE  10   3.585   1.952  -6.891
   86   3HD1  ILE  10          3HD1      ILE  10   2.815   1.919  -5.305
   87    H    ILE  11           HN       ILE  11  -0.492   4.260  -3.510
   88    HA   ILE  11           HA       ILE  11  -2.985   2.933  -3.294
   89    HB   ILE  11           HB       ILE  11  -1.859   5.033  -1.417
   90   1HG1  ILE  11          1HG1      ILE  11  -1.531   2.016  -1.458
   91   2HG1  ILE  11          2HG1      ILE  11  -0.263   3.194  -1.791
   92   1HG2  ILE  11          1HG2      ILE  11  -3.237   3.817   0.267
   93   2HG2  ILE  11          2HG2      ILE  11  -3.903   2.826  -1.031
   94   3HG2  ILE  11          3HG2      ILE  11  -4.218   4.561  -0.996
   95   1HD1  ILE  11          1HD1      ILE  11  -0.273   2.259   0.572
   96   2HD1  ILE  11          2HD1      ILE  11  -1.797   3.109   0.820
   97   3HD1  ILE  11          3HD1      ILE  11  -0.328   4.018   0.466
   98    H    VAL  12           HN       VAL  12  -2.469   6.405  -2.731
   99    HA   VAL  12           HA       VAL  12  -5.099   7.266  -2.714
  100    HB   VAL  12           HB       VAL  12  -2.743   8.685  -3.984
  101   1HG1  VAL  12          1HG1      VAL  12  -4.123  10.421  -4.363
  102   2HG1  VAL  12          2HG1      VAL  12  -4.686  10.383  -2.692
  103   3HG1  VAL  12          3HG1      VAL  12  -5.481   9.391  -3.914
  104   1HG2  VAL  12          1HG2      VAL  12  -3.716   9.401  -1.280
  105   2HG2  VAL  12          2HG2      VAL  12  -2.064   9.261  -1.881
  106   3HG2  VAL  12          3HG2      VAL  12  -2.954   7.815  -1.405
  107    H    ASP  13           HN       ASP  13  -3.073   7.433  -5.648
  108    HA   ASP  13           HA       ASP  13  -5.081   8.068  -7.484
  109   1HB   ASP  13          1HB       ASP  13  -2.569   7.859  -7.899
  110   2HB   ASP  13          2HB       ASP  13  -2.851   6.132  -8.115
  111    H    ARG  14           HN       ARG  14  -4.465   4.986  -5.949
  112    HA   ARG  14           HA       ARG  14  -6.417   3.685  -7.774
  113   1HB   ARG  14          1HB       ARG  14  -4.279   2.697  -5.923
  114   2HB   ARG  14          2HB       ARG  14  -5.625   1.630  -6.314
  115   1HG   ARG  14          1HG       ARG  14  -3.648   1.395  -7.866
  116   2HG   ARG  14          2HG       ARG  14  -5.160   1.788  -8.682
  117   1HD   ARG  14          1HD       ARG  14  -4.525   4.136  -8.835
  118   2HD   ARG  14          2HD       ARG  14  -3.071   3.841  -7.885
  119    HE   ARG  14           HE       ARG  14  -3.453   2.500 -10.526
  120   1HH1  ARG  14          1HH1      ARG  14  -1.035   1.623 -10.207
  121   2HH1  ARG  14          2HH1      ARG  14   0.105   2.921 -10.340
  122   1HH2  ARG  14          1HH2      ARG  14  -2.269   5.405  -9.874
  123   2HH2  ARG  14          2HH2      ARG  14  -0.594   5.062 -10.150
  124    H    LEU  15           HN       LEU  15  -5.893   2.740  -4.421
  125    HA   LEU  15           HA       LEU  15  -8.715   2.510  -3.941
  126   1HB   LEU  15          1HB       LEU  15  -6.266   2.365  -2.186
  127   2HB   LEU  15          2HB       LEU  15  -7.886   2.246  -1.504
  128    HG   LEU  15           HG       LEU  15  -6.843   0.017  -2.039
  129   1HD1  LEU  15          1HD1      LEU  15  -8.986  -0.644  -2.180
  130   2HD1  LEU  15          2HD1      LEU  15  -9.013  -0.197  -3.886
  131   3HD1  LEU  15          3HD1      LEU  15  -9.459   0.987  -2.658
  132   1HD2  LEU  15          1HD2      LEU  15  -6.598  -0.665  -4.349
  133   2HD2  LEU  15          2HD2      LEU  15  -5.684   0.826  -4.127
  134   3HD2  LEU  15          3HD2      LEU  15  -7.258   0.867  -4.920
  135    H    GLY  16           HN       GLY  16  -6.693   5.243  -3.931
  136   1HA   GLY  16          1HA       GLY  16  -7.904   6.699  -1.750
  137   2HA   GLY  16          2HA       GLY  16  -6.972   7.411  -3.066
  138    H    VAL  17           HN       VAL  17  -8.771   6.123  -5.089
  139    HA   VAL  17           HA       VAL  17 -10.671   6.737  -6.310
  140    HB   VAL  17           HB       VAL  17 -11.717   7.235  -3.507
  141   1HG1  VAL  17          1HG1      VAL  17 -13.187   8.447  -4.908
  142   2HG1  VAL  17          2HG1      VAL  17 -13.958   6.868  -4.759
  143   3HG1  VAL  17          3HG1      VAL  17 -13.048   7.272  -6.215
  144   1HG2  VAL  17          1HG2      VAL  17 -11.288   4.942  -3.646
  145   2HG2  VAL  17          2HG2      VAL  17 -11.624   4.884  -5.377
  146   3HG2  VAL  17          3HG2      VAL  17 -12.952   5.028  -4.225
  147    H    ASP  18           HN       ASP  18 -11.311   9.093  -3.750
  148    HA   ASP  18           HA       ASP  18 -10.849  11.240  -5.763
  149   1HB   ASP  18          1HB       ASP  18 -12.869  10.773  -3.769
  150   2HB   ASP  18          2HB       ASP  18 -12.043  12.290  -3.410
  151    H    GLU  19           HN       GLU  19  -8.729   9.880  -4.129
  152    HA   GLU  19           HA       GLU  19  -6.771  10.545  -3.023
  153   1HB   GLU  19          1HB       GLU  19  -7.741  13.386  -3.419
  154   2HB   GLU  19          2HB       GLU  19  -6.078  12.830  -3.230
  155   1HG   GLU  19          1HG       GLU  19  -6.302  11.553  -5.363
  156   2HG   GLU  19          2HG       GLU  19  -7.917  12.234  -5.566
  157    H    ALA  20           HN       ALA  20  -7.952   9.617  -1.118
  158    HA   ALA  20           HA       ALA  20  -7.658  11.136   1.209
  159   1HB   ALA  20          1HB       ALA  20 -10.511  11.091   1.258
  160   2HB   ALA  20          2HB       ALA  20 -10.018  11.909  -0.225
  161   3HB   ALA  20          3HB       ALA  20  -9.450  12.497   1.338
  162    H    ASP  21           HN       ASP  21  -9.821   8.807  -0.352
  163    HA   ASP  21           HA       ASP  21 -10.614   7.287   1.847
  164   1HB   ASP  21          1HB       ASP  21 -10.156   6.726  -1.040
  165   2HB   ASP  21          2HB       ASP  21 -10.308   5.332   0.027
  166    H    VAL  22           HN       VAL  22  -7.481   7.445   0.302
  167    HA   VAL  22           HA       VAL  22  -6.312   5.036   1.189
  168    HB   VAL  22           HB       VAL  22  -5.179   6.612  -0.332
  169   1HG1  VAL  22          1HG1      VAL  22  -4.269   8.699   0.465
  170   2HG1  VAL  22          2HG1      VAL  22  -4.735   8.329   2.125
  171   3HG1  VAL  22          3HG1      VAL  22  -5.973   8.663   0.915
  172   1HG2  VAL  22          1HG2      VAL  22  -3.093   5.970   0.364
  173   2HG2  VAL  22          2HG2      VAL  22  -4.006   5.051   1.561
  174   3HG2  VAL  22          3HG2      VAL  22  -3.325   6.621   1.987
  175    H    LYS  23           HN       LYS  23  -5.897   4.271   3.211
  176    HA   LYS  23           HA       LYS  23  -5.187   6.117   5.382
  177   1HB   LYS  23          1HB       LYS  23  -7.694   4.422   5.525
  178   2HB   LYS  23          2HB       LYS  23  -6.980   5.282   6.888
  179   1HG   LYS  23          1HG       LYS  23  -7.192   7.410   5.541
  180   2HG   LYS  23          2HG       LYS  23  -8.119   6.490   4.355
  181   1HD   LYS  23          1HD       LYS  23  -9.972   6.473   5.657
  182   2HD   LYS  23          2HD       LYS  23  -9.048   6.081   7.107
  183   1HE   LYS  23          1HE       LYS  23  -8.339   8.443   7.290
  184   2HE   LYS  23          2HE       LYS  23  -9.285   8.833   5.854
  185   1HZ   LYS  23          1HZ       LYS  23 -10.842   9.284   7.401
  186   2HZ   LYS  23          2HZ       LYS  23 -10.173   8.239   8.561
  187   3HZ   LYS  23          3HZ       LYS  23 -11.129   7.615   7.303
  188    H    LEU  24           HN       LEU  24  -3.593   5.130   6.474
  189    HA   LEU  24           HA       LEU  24  -2.859   2.370   6.040
  190   1HB   LEU  24          1HB       LEU  24  -1.992   4.121   8.358
  191   2HB   LEU  24          2HB       LEU  24  -1.107   2.784   7.632
  192    HG   LEU  24           HG       LEU  24  -1.600   4.502   5.489
  193   1HD1  LEU  24          1HD1      LEU  24  -2.173   6.437   6.635
  194   2HD1  LEU  24          2HD1      LEU  24  -0.418   6.601   6.611
  195   3HD1  LEU  24          3HD1      LEU  24  -1.228   5.998   8.057
  196   1HD2  LEU  24          1HD2      LEU  24   0.656   3.547   7.094
  197   2HD2  LEU  24          2HD2      LEU  24   0.957   5.132   6.383
  198   3HD2  LEU  24          3HD2      LEU  24   0.539   3.768   5.348
  199    H    GLU  25           HN       GLU  25  -4.214   4.066   8.889
  200    HA   GLU  25           HA       GLU  25  -4.522   1.717  10.488
  201   1HB   GLU  25          1HB       GLU  25  -6.174   3.126  11.769
  202   2HB   GLU  25          2HB       GLU  25  -4.604   3.896  11.531
  203   1HG   GLU  25          1HG       GLU  25  -5.425   5.366   9.901
  204   2HG   GLU  25          2HG       GLU  25  -6.816   4.342   9.542
  205    H    ALA  26           HN       ALA  26  -6.233   2.711   7.694
  206    HA   ALA  26           HA       ALA  26  -8.771   1.464   8.456
  207   1HB   ALA  26          1HB       ALA  26  -9.309   1.828   6.013
  208   2HB   ALA  26          2HB       ALA  26  -7.698   2.516   5.826
  209   3HB   ALA  26          3HB       ALA  26  -8.871   3.297   6.886
  210    H    SER  27           HN       SER  27  -9.571  -0.509   7.540
  211    HA   SER  27           HA       SER  27  -7.474  -2.496   7.059
  212   1HB   SER  27          1HB       SER  27 -10.287  -2.504   7.799
  213   2HB   SER  27          2HB       SER  27  -9.963  -3.674   6.523
  214    HG   SER  27           HG       SER  27  -9.122  -3.606   9.154
  215    H    PHE  28           HN       PHE  28  -8.811  -0.234   5.067
  216    HA   PHE  28           HA       PHE  28  -8.928  -0.042   2.739
  217   1HB   PHE  28          1HB       PHE  28  -7.020  -2.257   3.240
  218   2HB   PHE  28          2HB       PHE  28  -7.713  -2.196   1.622
  219    HD1  PHE  28           HD1      PHE  28  -6.674  -0.844   0.027
  220    HD2  PHE  28           HD2      PHE  28  -6.231   0.103   4.192
  221    HE1  PHE  28           HE1      PHE  28  -5.118   0.991  -0.555
  222    HE2  PHE  28           HE2      PHE  28  -4.672   1.937   3.605
  223    HZ   PHE  28           HZ       PHE  28  -4.122   2.387   1.232
  224    H    LYS  29           HN       LYS  29 -11.205  -1.081   3.935
  225    HA   LYS  29           HA       LYS  29 -12.423  -2.487   1.738
  226   1HB   LYS  29          1HB       LYS  29 -12.962  -4.589   3.021
  227   2HB   LYS  29          2HB       LYS  29 -11.262  -4.430   2.578
  228   1HG   LYS  29          1HG       LYS  29 -11.037  -3.270   4.920
  229   2HG   LYS  29          2HG       LYS  29 -12.550  -4.105   5.275
  230   1HD   LYS  29          1HD       LYS  29 -10.789  -5.951   3.974
  231   2HD   LYS  29          2HD       LYS  29  -9.910  -5.183   5.295
  232   1HE   LYS  29          1HE       LYS  29 -11.515  -5.871   6.907
  233   2HE   LYS  29          2HE       LYS  29 -12.698  -6.284   5.666
  234   1HZ   LYS  29          1HZ       LYS  29 -10.140  -7.658   5.521
  235   2HZ   LYS  29          2HZ       LYS  29 -11.709  -8.246   5.240
  236   3HZ   LYS  29          3HZ       LYS  29 -11.134  -8.076   6.829
  237    H    GLU  30           HN       GLU  30 -12.628  -1.921   5.259
  238    HA   GLU  30           HA       GLU  30 -15.548  -1.404   4.891
  239   1HB   GLU  30          1HB       GLU  30 -15.724  -1.750   7.336
  240   2HB   GLU  30          2HB       GLU  30 -15.015  -3.155   6.538
  241   1HG   GLU  30          1HG       GLU  30 -12.784  -2.481   7.187
  242   2HG   GLU  30          2HG       GLU  30 -13.383  -0.946   7.817
  243    H    ASP  31           HN       ASP  31 -12.511   0.037   5.777
  244    HA   ASP  31           HA       ASP  31 -13.694   2.341   7.119
  245   1HB   ASP  31          1HB       ASP  31 -11.094   1.268   6.806
  246   2HB   ASP  31          2HB       ASP  31 -11.059   2.874   6.077
  247    H    LEU  32           HN       LEU  32 -11.733   2.205   4.117
  248    HA   LEU  32           HA       LEU  32 -13.264   4.559   3.149
  249   1HB   LEU  32          1HB       LEU  32 -11.476   4.775   1.476
  250   2HB   LEU  32          2HB       LEU  32 -10.796   4.690   3.099
  251    HG   LEU  32           HG       LEU  32 -11.022   2.017   2.210
  252   1HD1  LEU  32          1HD1      LEU  32  -9.459   3.585   0.170
  253   2HD1  LEU  32          2HD1      LEU  32 -11.178   3.282  -0.078
  254   3HD1  LEU  32          3HD1      LEU  32 -10.057   1.930   0.073
  255   1HD2  LEU  32          1HD2      LEU  32  -9.200   3.620   3.487
  256   2HD2  LEU  32          2HD2      LEU  32  -8.393   3.341   1.944
  257   3HD2  LEU  32          3HD2      LEU  32  -8.865   1.973   2.952
  258    H    GLY  33           HN       GLY  33 -14.117   1.583   3.122
  259   1HA   GLY  33          1HA       GLY  33 -15.219   0.130   1.639
  260   2HA   GLY  33          2HA       GLY  33 -15.692   1.609   0.803
  261    H    ALA  34           HN       ALA  34 -13.144  -0.848   0.999
  262    HA   ALA  34           HA       ALA  34 -12.456  -0.188  -1.836
  263   1HB   ALA  34          1HB       ALA  34 -10.160  -1.322  -0.767
  264   2HB   ALA  34          2HB       ALA  34 -10.736  -0.277   0.532
  265   3HB   ALA  34          3HB       ALA  34 -10.411   0.397  -1.065
  266    H    ASP  35           HN       ASP  35 -11.856  -2.027  -3.126
  267    HA   ASP  35           HA       ASP  35 -13.112  -4.525  -2.220
  268   1HB   ASP  35          1HB       ASP  35 -12.173  -3.385  -4.784
  269   2HB   ASP  35          2HB       ASP  35 -11.976  -5.131  -4.630
  270    H    SER  36           HN       SER  36 -12.006  -6.296  -1.471
  271    HA   SER  36           HA       SER  36  -9.388  -6.182  -0.504
  272   1HB   SER  36          1HB       SER  36 -11.366  -8.088  -0.517
  273   2HB   SER  36          2HB       SER  36 -10.138  -8.842  -1.529
  274    HG   SER  36           HG       SER  36  -9.931  -9.204   0.789
  275    H    LEU  37           HN       LEU  37 -10.473  -6.899  -3.768
  276    HA   LEU  37           HA       LEU  37  -7.967  -7.955  -4.723
  277   1HB   LEU  37          1HB       LEU  37 -10.550  -7.188  -5.850
  278   2HB   LEU  37          2HB       LEU  37  -9.205  -6.769  -6.913
  279    HG   LEU  37           HG       LEU  37  -8.749  -9.381  -5.797
  280   1HD1  LEU  37          1HD1      LEU  37 -10.858 -10.190  -5.680
  281   2HD1  LEU  37          2HD1      LEU  37 -10.884 -10.084  -7.440
  282   3HD1  LEU  37          3HD1      LEU  37 -11.526  -8.760  -6.467
  283   1HD2  LEU  37          1HD2      LEU  37  -7.695  -9.098  -7.814
  284   2HD2  LEU  37          2HD2      LEU  37  -8.954  -8.031  -8.436
  285   3HD2  LEU  37          3HD2      LEU  37  -9.197  -9.778  -8.441
  286    H    ASP  38           HN       ASP  38  -9.453  -4.837  -5.607
  287    HA   ASP  38           HA       ASP  38  -7.188  -3.576  -6.631
  288   1HB   ASP  38          1HB       ASP  38  -9.679  -2.618  -5.312
  289   2HB   ASP  38          2HB       ASP  38  -8.367  -1.452  -5.492
  290    H    VAL  39           HN       VAL  39  -8.102  -3.968  -3.250
  291    HA   VAL  39           HA       VAL  39  -6.208  -2.197  -2.086
  292    HB   VAL  39           HB       VAL  39  -7.324  -4.819  -1.049
  293   1HG1  VAL  39          1HG1      VAL  39  -5.837  -2.575   0.342
  294   2HG1  VAL  39          2HG1      VAL  39  -5.347  -4.263   0.226
  295   3HG1  VAL  39          3HG1      VAL  39  -6.751  -3.817   1.195
  296   1HG2  VAL  39          1HG2      VAL  39  -8.832  -2.782  -1.695
  297   2HG2  VAL  39          2HG2      VAL  39  -8.171  -2.047  -0.238
  298   3HG2  VAL  39          3HG2      VAL  39  -9.074  -3.558  -0.131
  299    H    VAL  40           HN       VAL  40  -5.841  -5.731  -1.902
  300    HA   VAL  40           HA       VAL  40  -3.011  -5.593  -1.585
  301    HB   VAL  40           HB       VAL  40  -4.517  -7.950  -2.738
  302   1HG1  VAL  40          1HG1      VAL  40  -2.571  -9.038  -2.410
  303   2HG1  VAL  40          2HG1      VAL  40  -2.501  -8.487  -0.736
  304   3HG1  VAL  40          3HG1      VAL  40  -1.822  -7.489  -2.023
  305   1HG2  VAL  40          1HG2      VAL  40  -4.781  -6.617  -0.146
  306   2HG2  VAL  40          2HG2      VAL  40  -4.295  -8.304   0.019
  307   3HG2  VAL  40          3HG2      VAL  40  -5.773  -7.893  -0.851
  308    H    GLU  41           HN       GLU  41  -5.047  -5.598  -4.433
  309    HA   GLU  41           HA       GLU  41  -3.032  -6.352  -6.337
  310   1HB   GLU  41          1HB       GLU  41  -5.599  -4.781  -6.525
  311   2HB   GLU  41          2HB       GLU  41  -4.526  -4.920  -7.917
  312   1HG   GLU  41          1HG       GLU  41  -4.780  -7.521  -6.792
  313   2HG   GLU  41          2HG       GLU  41  -6.405  -6.848  -6.927
  314    H    LEU  42           HN       LEU  42  -3.930  -3.296  -4.822
  315    HA   LEU  42           HA       LEU  42  -2.178  -1.691  -6.473
  316   1HB   LEU  42          1HB       LEU  42  -2.942   0.112  -5.257
  317   2HB   LEU  42          2HB       LEU  42  -4.234  -1.027  -4.907
  318    HG   LEU  42           HG       LEU  42  -2.637  -1.684  -2.880
  319   1HD1  LEU  42          1HD1      LEU  42  -2.027   1.256  -3.162
  320   2HD1  LEU  42          2HD1      LEU  42  -0.934   0.040  -3.816
  321   3HD1  LEU  42          3HD1      LEU  42  -1.274   0.081  -2.086
  322   1HD2  LEU  42          1HD2      LEU  42  -3.938  -0.210  -1.495
  323   2HD2  LEU  42          2HD2      LEU  42  -4.965  -0.718  -2.835
  324   3HD2  LEU  42          3HD2      LEU  42  -4.230   0.886  -2.845
  325    H    VAL  43           HN       VAL  43  -1.861  -3.449  -3.455
  326    HA   VAL  43           HA       VAL  43   0.727  -2.357  -2.756
  327    HB   VAL  43           HB       VAL  43  -0.326  -5.049  -1.875
  328   1HG1  VAL  43          1HG1      VAL  43   1.436  -4.906  -0.477
  329   2HG1  VAL  43          2HG1      VAL  43   0.754  -3.433   0.211
  330   3HG1  VAL  43          3HG1      VAL  43   1.863  -3.336  -1.156
  331   1HG2  VAL  43          1HG2      VAL  43  -1.282  -3.460   0.048
  332   2HG2  VAL  43          2HG2      VAL  43  -2.234  -3.823  -1.392
  333   3HG2  VAL  43          3HG2      VAL  43  -1.352  -2.300  -1.278
  334    H    MET  44           HN       MET  44  -0.359  -4.771  -4.990
  335    HA   MET  44           HA       MET  44   2.181  -6.210  -5.119
  336   1HB   MET  44          1HB       MET  44  -0.316  -6.159  -6.821
  337   2HB   MET  44          2HB       MET  44   1.130  -7.017  -7.355
  338   1HG   MET  44          1HG       MET  44   1.076  -8.112  -4.994
  339   2HG   MET  44          2HG       MET  44  -0.598  -7.559  -4.949
  340   1HE   MET  44          1HE       MET  44   2.110  -9.511  -6.578
  341   2HE   MET  44          2HE       MET  44   1.558  -8.846  -8.113
  342   3HE   MET  44          3HE       MET  44   1.357 -10.565  -7.783
  343    H    GLU  45           HN       GLU  45   0.525  -3.766  -7.122
  344    HA   GLU  45           HA       GLU  45   2.666  -3.408  -8.992
  345   1HB   GLU  45          1HB       GLU  45   0.296  -1.803  -8.112
  346   2HB   GLU  45          2HB       GLU  45   1.583  -0.953  -8.968
  347   1HG   GLU  45          1HG       GLU  45   1.209  -3.327 -10.412
  348   2HG   GLU  45          2HG       GLU  45  -0.420  -2.775 -10.018
  349    H    LEU  46           HN       LEU  46   2.070  -2.405  -5.727
  350    HA   LEU  46           HA       LEU  46   4.026  -0.325  -5.568
  351   1HB   LEU  46          1HB       LEU  46   2.441  -0.291  -3.836
  352   2HB   LEU  46          2HB       LEU  46   2.502  -2.034  -3.619
  353    HG   LEU  46           HG       LEU  46   5.085  -0.809  -3.058
  354   1HD1  LEU  46          1HD1      LEU  46   2.900  -0.058  -1.131
  355   2HD1  LEU  46          2HD1      LEU  46   3.340   1.025  -2.452
  356   3HD1  LEU  46          3HD1      LEU  46   4.540   0.573  -1.245
  357   1HD2  LEU  46          1HD2      LEU  46   3.701  -3.056  -2.347
  358   2HD2  LEU  46          2HD2      LEU  46   3.483  -2.055  -0.911
  359   3HD2  LEU  46          3HD2      LEU  46   5.108  -2.448  -1.474
  360    H    GLU  47           HN       GLU  47   4.059  -3.808  -4.855
  361    HA   GLU  47           HA       GLU  47   6.742  -3.941  -3.928
  362   1HB   GLU  47          1HB       GLU  47   6.561  -6.291  -4.139
  363   2HB   GLU  47          2HB       GLU  47   4.915  -5.754  -3.836
  364   1HG   GLU  47          1HG       GLU  47   4.241  -6.717  -5.742
  365   2HG   GLU  47          2HG       GLU  47   5.351  -5.713  -6.665
  366    H    ASP  48           HN       ASP  48   5.416  -3.599  -7.119
  367    HA   ASP  48           HA       ASP  48   7.913  -4.353  -8.468
  368   1HB   ASP  48          1HB       ASP  48   5.179  -3.830  -9.231
  369   2HB   ASP  48          2HB       ASP  48   6.270  -2.861 -10.223
  370    H    GLU  49           HN       GLU  49   6.390  -1.435  -7.262
  371    HA   GLU  49           HA       GLU  49   7.954   0.449  -8.766
  372   1HB   GLU  49          1HB       GLU  49   6.106   0.529  -6.493
  373   2HB   GLU  49          2HB       GLU  49   7.418   1.699  -6.345
  374   1HG   GLU  49          1HG       GLU  49   5.521   2.689  -7.555
  375   2HG   GLU  49          2HG       GLU  49   6.919   2.535  -8.621
  376    H    PHE  50           HN       PHE  50   8.339  -0.793  -5.444
  377    HA   PHE  50           HA       PHE  50  11.130   0.247  -5.466
  378   1HB   PHE  50          1HB       PHE  50   9.908  -1.057  -3.056
  379   2HB   PHE  50          2HB       PHE  50  11.073   0.261  -3.140
  380    HD1  PHE  50           HD1      PHE  50  10.322   2.571  -3.710
  381    HD2  PHE  50           HD2      PHE  50   7.541  -0.657  -3.174
  382    HE1  PHE  50           HE1      PHE  50   8.465   4.203  -3.508
  383    HE2  PHE  50           HE2      PHE  50   5.691   0.975  -2.971
  384    HZ   PHE  50           HZ       PHE  50   6.140   3.401  -3.131
  385    H    ASP  51           HN       ASP  51   9.819  -2.438  -6.606
  386    HA   ASP  51           HA       ASP  51  10.584  -4.633  -6.908
  387   1HB   ASP  51          1HB       ASP  51  13.004  -3.020  -6.304
  388   2HB   ASP  51          2HB       ASP  51  13.174  -4.767  -6.130
  389    H    MET  52           HN       MET  52   9.175  -5.344  -5.150
  390    HA   MET  52           HA       MET  52  10.742  -6.196  -2.752
  391   1HB   MET  52          1HB       MET  52   8.355  -4.528  -2.881
  392   2HB   MET  52          2HB       MET  52   8.086  -5.974  -1.907
  393   1HG   MET  52          1HG       MET  52  10.689  -4.887  -1.310
  394   2HG   MET  52          2HG       MET  52   9.473  -3.620  -1.150
  395   1HE   MET  52          1HE       MET  52   7.413  -3.809  -0.183
  396   2HE   MET  52          2HE       MET  52   8.147  -3.422   1.371
  397   3HE   MET  52          3HE       MET  52   6.968  -4.726   1.264
  398    H    GLU  53           HN       GLU  53   9.264  -7.956  -1.548
  399    HA   GLU  53           HA       GLU  53   8.350  -9.846  -3.679
  400   1HB   GLU  53          1HB       GLU  53   9.321 -10.578  -0.905
  401   2HB   GLU  53          2HB       GLU  53   9.079 -11.657  -2.280
  402   1HG   GLU  53          1HG       GLU  53  10.824 -10.188  -3.495
  403   2HG   GLU  53          2HG       GLU  53  11.225  -9.573  -1.891
  404    H    ILE  54           HN       ILE  54   6.684  -7.806  -2.404
  405    HA   ILE  54           HA       ILE  54   5.074  -8.965  -0.324
  406    HB   ILE  54           HB       ILE  54   4.333  -6.861  -2.376
  407   1HG1  ILE  54          1HG1      ILE  54   5.424  -6.565   0.439
  408   2HG1  ILE  54          2HG1      ILE  54   6.365  -6.325  -1.035
  409   1HG2  ILE  54          1HG2      ILE  54   3.170  -6.927   0.361
  410   2HG2  ILE  54          2HG2      ILE  54   2.598  -8.153  -0.771
  411   3HG2  ILE  54          3HG2      ILE  54   2.430  -6.443  -1.165
  412   1HD1  ILE  54          1HD1      ILE  54   4.877  -4.517  -1.731
  413   2HD1  ILE  54          2HD1      ILE  54   5.499  -4.179  -0.116
  414   3HD1  ILE  54          3HD1      ILE  54   3.855  -4.783  -0.319
  415    H    SER  55           HN       SER  55   3.878 -10.784  -0.590
  416    HA   SER  55           HA       SER  55   2.789 -11.393  -3.290
  417   1HB   SER  55          1HB       SER  55   3.807 -12.983  -1.106
  418   2HB   SER  55          2HB       SER  55   2.155 -13.470  -1.475
  419    HG   SER  55           HG       SER  55   4.169 -14.288  -2.742
  420    H    ASP  56           HN       ASP  56   0.504 -12.482  -3.143
  421    HA   ASP  56           HA       ASP  56  -1.372 -10.556  -2.279
  422   1HB   ASP  56          1HB       ASP  56  -1.443 -13.160  -3.481
  423   2HB   ASP  56          2HB       ASP  56  -2.637 -13.105  -2.184
  424    H    GLU  57           HN       GLU  57   0.280 -13.011  -0.467
  425    HA   GLU  57           HA       GLU  57  -1.648 -13.080   1.721
  426   1HB   GLU  57          1HB       GLU  57   0.179 -14.308   2.916
  427   2HB   GLU  57          2HB       GLU  57  -0.218 -15.013   1.348
  428   1HG   GLU  57          1HG       GLU  57   1.711 -14.080   0.319
  429   2HG   GLU  57          2HG       GLU  57   1.993 -12.978   1.667
  430    H    ASP  58           HN       ASP  58   1.013 -11.047   0.805
  431    HA   ASP  58           HA       ASP  58   1.622 -10.050   3.450
  432   1HB   ASP  58          1HB       ASP  58   2.389  -9.423   0.681
  433   2HB   ASP  58          2HB       ASP  58   2.335  -8.015   1.742
  434    H    ALA  59           HN       ALA  59   0.331  -8.046   0.820
  435    HA   ALA  59           HA       ALA  59  -0.840  -6.034   2.318
  436   1HB   ALA  59          1HB       ALA  59  -0.987  -6.927  -0.357
  437   2HB   ALA  59          2HB       ALA  59  -1.516  -5.375   0.288
  438   3HB   ALA  59          3HB       ALA  59  -2.651  -6.718   0.186
  439    H    GLU  60           HN       GLU  60  -2.053  -9.317   1.991
  440    HA   GLU  60           HA       GLU  60  -4.676  -8.591   3.103
  441   1HB   GLU  60          1HB       GLU  60  -3.697 -10.716   1.551
  442   2HB   GLU  60          2HB       GLU  60  -4.122 -11.431   3.106
  443   1HG   GLU  60          1HG       GLU  60  -6.235  -9.711   2.629
  444   2HG   GLU  60          2HG       GLU  60  -5.867 -10.332   1.020
  445    H    LYS  61           HN       LYS  61  -1.859 -10.512   4.166
  446    HA   LYS  61           HA       LYS  61  -3.023 -10.776   6.858
  447   1HB   LYS  61          1HB       LYS  61  -1.515 -12.488   5.530
  448   2HB   LYS  61          2HB       LYS  61  -0.197 -11.540   6.218
  449   1HG   LYS  61          1HG       LYS  61  -0.777 -12.083   8.419
  450   2HG   LYS  61          2HG       LYS  61  -2.439 -12.483   7.984
  451   1HD   LYS  61          1HD       LYS  61  -1.412 -14.585   8.348
  452   2HD   LYS  61          2HD       LYS  61  -1.418 -14.402   6.594
  453   1HE   LYS  61          1HE       LYS  61   0.858 -14.115   6.477
  454   2HE   LYS  61          2HE       LYS  61   0.943 -13.316   8.047
  455   1HZ   LYS  61          1HZ       LYS  61   1.131 -15.267   9.134
  456   2HZ   LYS  61          2HZ       LYS  61   1.755 -15.800   7.647
  457   3HZ   LYS  61          3HZ       LYS  61   0.135 -16.111   8.053
  458    H    ILE  62           HN       ILE  62  -0.873  -8.633   5.215
  459    HA   ILE  62           HA       ILE  62   0.811  -7.758   7.291
  460    HB   ILE  62           HB       ILE  62   0.723  -7.065   4.790
  461   1HG1  ILE  62          1HG1      ILE  62   1.230  -4.906   6.850
  462   2HG1  ILE  62          2HG1      ILE  62   2.343  -6.230   6.500
  463   1HG2  ILE  62          1HG2      ILE  62  -0.534  -5.178   4.159
  464   2HG2  ILE  62          2HG2      ILE  62  -0.854  -4.716   5.830
  465   3HG2  ILE  62          3HG2      ILE  62  -1.672  -6.112   5.129
  466   1HD1  ILE  62          1HD1      ILE  62   2.337  -5.500   4.091
  467   2HD1  ILE  62          2HD1      ILE  62   3.042  -4.318   5.195
  468   3HD1  ILE  62          3HD1      ILE  62   1.405  -4.085   4.580
  469    H    ALA  63           HN       ALA  63   0.572  -6.151   8.926
  470    HA   ALA  63           HA       ALA  63  -1.831  -6.058  10.355
  471   1HB   ALA  63          1HB       ALA  63   0.683  -4.995  10.708
  472   2HB   ALA  63          2HB       ALA  63  -0.690  -4.701  11.775
  473   3HB   ALA  63          3HB       ALA  63  -0.302  -3.546  10.500
  474    H    THR  64           HN       THR  64  -0.737  -3.943   7.758
  475    HA   THR  64           HA       THR  64  -3.401  -3.247   6.968
  476    HB   THR  64           HB       THR  64  -2.804  -0.666   7.500
  477    HG1  THR  64           HG1      THR  64  -1.163  -0.695   8.815
  478   1HG2  THR  64          1HG2      THR  64  -4.683  -2.494   8.315
  479   2HG2  THR  64          2HG2      THR  64  -4.663  -0.795   8.788
  480   3HG2  THR  64          3HG2      THR  64  -3.957  -2.014   9.848
  481    H    VAL  65           HN       VAL  65  -3.363  -1.754   5.118
  482    HA   VAL  65           HA       VAL  65  -1.366  -2.207   3.208
  483    HB   VAL  65           HB       VAL  65  -3.265   0.098   3.647
  484   1HG1  VAL  65          1HG1      VAL  65  -0.997  -0.026   1.829
  485   2HG1  VAL  65          2HG1      VAL  65  -2.084   1.321   2.168
  486   3HG1  VAL  65          3HG1      VAL  65  -2.520   0.120   0.952
  487   1HG2  VAL  65          1HG2      VAL  65  -4.569  -1.669   2.962
  488   2HG2  VAL  65          2HG2      VAL  65  -3.230  -2.472   2.142
  489   3HG2  VAL  65          3HG2      VAL  65  -4.046  -1.111   1.373
  490    H    GLY  66           HN       GLY  66  -1.593   0.384   5.624
  491   1HA   GLY  66          1HA       GLY  66   0.659   1.914   4.834
  492   2HA   GLY  66          2HA       GLY  66   0.056   1.812   6.489
  493    H    ASP  67           HN       ASP  67   0.429  -0.877   7.061
  494    HA   ASP  67           HA       ASP  67   3.150  -1.034   7.808
  495   1HB   ASP  67          1HB       ASP  67   0.911  -2.980   7.557
  496   2HB   ASP  67          2HB       ASP  67   2.536  -3.662   7.609
  497    H    ALA  68           HN       ALA  68   1.504  -1.901   4.839
  498    HA   ALA  68           HA       ALA  68   3.624  -3.374   3.592
  499   1HB   ALA  68          1HB       ALA  68   1.120  -2.890   2.830
  500   2HB   ALA  68          2HB       ALA  68   2.377  -3.177   1.627
  501   3HB   ALA  68          3HB       ALA  68   1.870  -1.528   1.997
  502    H    VAL  69           HN       VAL  69   2.805   0.058   3.773
  503    HA   VAL  69           HA       VAL  69   4.970   1.003   2.151
  504    HB   VAL  69           HB       VAL  69   2.796   2.128   3.548
  505   1HG1  VAL  69          1HG1      VAL  69   5.393   3.370   4.503
  506   2HG1  VAL  69          2HG1      VAL  69   4.218   2.531   5.516
  507   3HG1  VAL  69          3HG1      VAL  69   3.783   4.052   4.736
  508   1HG2  VAL  69          1HG2      VAL  69   4.964   3.687   2.139
  509   2HG2  VAL  69          2HG2      VAL  69   3.234   4.029   2.194
  510   3HG2  VAL  69          3HG2      VAL  69   3.829   2.648   1.277
  511    H    ASN  70           HN       ASN  70   4.600   0.468   5.635
  512    HA   ASN  70           HA       ASN  70   7.257   1.221   6.392
  513   1HB   ASN  70          1HB       ASN  70   4.953   0.103   7.659
  514   2HB   ASN  70          2HB       ASN  70   6.330  -0.934   8.035
  515   1HD2  ASN  70          1HD2      ASN  70   8.423   0.967   8.108
  516   2HD2  ASN  70          2HD2      ASN  70   8.142   2.057   9.379
  517    H    TYR  71           HN       TYR  71   5.870  -1.621   4.930
  518    HA   TYR  71           HA       TYR  71   7.973  -3.488   5.451
  519   1HB   TYR  71          1HB       TYR  71   5.535  -3.680   4.307
  520   2HB   TYR  71          2HB       TYR  71   6.526  -3.618   2.851
  521    HD1  TYR  71           HD1      TYR  71   8.751  -5.130   3.018
  522    HD2  TYR  71           HD2      TYR  71   5.120  -5.774   5.219
  523    HE1  TYR  71           HE1      TYR  71   9.368  -7.512   3.337
  524    HE2  TYR  71           HE2      TYR  71   5.736  -8.156   5.539
  525    HH   TYR  71           HH       TYR  71   8.247  -9.653   3.794
  526    H    ILE  72           HN       ILE  72   7.496  -1.039   2.947
  527    HA   ILE  72           HA       ILE  72   9.746  -1.875   1.329
  528    HB   ILE  72           HB       ILE  72   8.594   0.919   1.454
  529   1HG1  ILE  72          1HG1      ILE  72   7.566  -0.991  -0.563
  530   2HG1  ILE  72          2HG1      ILE  72   7.010  -1.257   1.089
  531   1HG2  ILE  72          1HG2      ILE  72  10.596   0.714   0.104
  532   2HG2  ILE  72          2HG2      ILE  72   9.211   0.859  -0.978
  533   3HG2  ILE  72          3HG2      ILE  72   9.954  -0.716  -0.705
  534   1HD1  ILE  72          1HD1      ILE  72   5.439   0.287   0.424
  535   2HD1  ILE  72          2HD1      ILE  72   6.533   1.065  -0.720
  536   3HD1  ILE  72          3HD1      ILE  72   6.686   1.389   1.007
  537    H    GLN  73           HN       GLN  73   9.295   0.622   3.803
  538    HA   GLN  73           HA       GLN  73  11.931   1.725   3.608
  539   1HB   GLN  73          1HB       GLN  73  10.833   1.661   6.354
  540   2HB   GLN  73          2HB       GLN  73  11.411   3.025   5.409
  541   1HG   GLN  73          1HG       GLN  73   8.690   1.715   5.276
  542   2HG   GLN  73          2HG       GLN  73   9.061   3.362   5.773
  543   1HE2  GLN  73          1HE2      GLN  73   7.203   3.095   3.760
  544   2HE2  GLN  73          2HE2      GLN  73   7.866   3.535   2.264
  545    H    ASN  74           HN       ASN  74  10.698  -1.133   5.211
  546    HA   ASN  74           HA       ASN  74  12.985  -1.615   6.888
  547   1HB   ASN  74          1HB       ASN  74  10.515  -2.906   6.308
  548   2HB   ASN  74          2HB       ASN  74  11.799  -4.085   6.037
  549   1HD2  ASN  74          1HD2      ASN  74  12.517  -5.141   7.892
  550   2HD2  ASN  74          2HD2      ASN  74  12.338  -4.556   9.476
  551    H    GLN  75           HN       GLN  75  12.393  -2.048   3.491
  552    HA   GLN  75           HA       GLN  75  14.689  -3.881   3.183
  553   1HB   GLN  75          1HB       GLN  75  12.747  -2.654   1.207
  554   2HB   GLN  75          2HB       GLN  75  14.097  -3.684   0.728
  555   1HG   GLN  75          1HG       GLN  75  12.511  -4.834   2.906
  556   2HG   GLN  75          2HG       GLN  75  11.571  -4.578   1.435
  557   1HE2  GLN  75          1HE2      GLN  75  13.500  -5.044  -0.557
  558   2HE2  GLN  75          2HE2      GLN  75  14.042  -6.650  -0.457
  559    H    GLN  76           HN       GLN  76  13.919  -0.494   2.905
  560    HA   GLN  76           HA       GLN  76  16.283   0.163   1.315
  561   1HB   GLN  76          1HB       GLN  76  14.355   1.881   2.905
  562   2HB   GLN  76          2HB       GLN  76  15.664   2.525   1.912
  563   1HG   GLN  76          1HG       GLN  76  14.326   0.675   0.269
  564   2HG   GLN  76          2HG       GLN  76  13.052   1.580   1.088
  565   1HE2  GLN  76          1HE2      GLN  76  13.582   1.897  -1.728
  566   2HE2  GLN  76          2HE2      GLN  76  14.159   3.474  -1.979