*HEADER    HYDROLASE                               01-SEP-99   1CZ4              
*TITLE     NMR STRUCTURE OF VAT-N: THE N-TERMINAL DOMAIN OF VAT (VCP-            
*TITLE    2 LIKE ATPASE OF THERMOPLASMA)                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VCP-LIKE ATPASE OF THERMOPLASMA;                           
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN: M1 TO E183 FOLLOWED BY A                
*COMPND   5 DIGLYCINE SPACER;                                                    
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM;                       
*SOURCE   3 ORGANISM_COMMON: ARCHAEA;                                            
*SOURCE   4 EXPRESSION_SYSTEM: E. COLI;                                          
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PET28                                     
*KEYWDS    DOUBLE-PSI BETA-BARREL, BETA-CLAM, SUBSTRATE RECOGNITION              
*KEYWDS   2 DOMAIN                                                               
*EXPDTA    NMR                                                                   
*AUTHOR    M.COLES, T.DIERCKS, J.LIERMANN, A.GROEGER, B.ROCKEL,                  
*AUTHOR   2 W.BAUMEISTER, K.KORETKE, A.LUPAS, J.PETERS, H.KESSLER                
*REVDAT   2   05-JUL-00 1CZ4    1       SOURCE REMARK DBREF  SEQADV              
*REVDAT   2 2                   1       CRYST1                                   
*REVDAT   1   12-OCT-99 1CZ4    0                                                



!
! NOE RESTRAINTS (all 1923)
!
! Intra-residue (460)
! 
assign(resid   6 and name HN   )(resid   6 and name HA1  ) 0.0 0.0 2.7 
assign(resid   6 and name HN   )(resid   6 and name HA2  ) 3.0 0.5 0.3 
assign(resid   7 and name HN   )(resid   7 and name HA   ) 3.0 0.5 0.3 
assign(resid   7 and name HN   )(resid   7 and name HB   ) 0.0 0.0 4.0 
assign(resid   7 and name HN   )(resid   7 and name HD1+ ) 0.0 0.0 4.8 
assign(resid   7 and name HN   )(resid   7 and name HG1+ ) 0.0 0.0 4.0 
assign(resid   7 and name HN   )(resid   7 and name HG2+ ) 0.0 0.0 4.0 
assign(resid   8 and name HN   )(resid   8 and name HA   ) 3.0 0.5 0.3 
assign(resid   8 and name HN   )(resid   8 and name HB   ) 0.0 0.0 3.2 
assign(resid   8 and name HN   )(resid   8 and name HG1+ ) 0.0 0.0 4.8 
assign(resid   9 and name HN   )(resid   9 and name HA   ) 3.0 0.5 0.3 
assign(resid   9 and name HN   )(resid   9 and name HB+  ) 0.0 0.0 4.0 
assign(resid   9 and name HN   )(resid   9 and name HG   ) 0.0 0.0 5.0 
assign(resid   9 and name HN   )(resid   9 and name HD1+ ) 0.0 0.0 4.8 
assign(resid   9 and name HN   )(resid   9 and name HD2+ ) 0.0 0.0 4.0 
assign(resid  10 and name HN   )(resid  10 and name HA   ) 3.0 0.5 0.3 
assign(resid  10 and name HN   )(resid  10 and name HB+  ) 0.0 0.0 3.5 
assign(resid  11 and name HN   )(resid  11 and name HA   ) 0.0 0.0 4.0 
assign(resid  11 and name HN   )(resid  11 and name HB   ) 0.0 0.0 3.2 
assign(resid  11 and name HN   )(resid  11 and name HG++ ) 0.0 0.0 4.7 
assign(resid  12 and name HN   )(resid  12 and name HA   ) 3.0 0.5 0.3 
assign(resid  12 and name HN   )(resid  12 and name HB+  ) 0.0 0.0 4.0 
assign(resid  13 and name HN   )(resid  13 and name HA   ) 3.0 0.5 0.3 
assign(resid  13 and name HN   )(resid  13 and name HB+  ) 0.0 0.0 3.5 
assign(resid  13 and name HN   )(resid  13 and name HG+  ) 0.0 0.0 4.8 
assign(resid  18 and name HN   )(resid  18 and name HA   ) 3.0 0.5 0.3 
assign(resid  18 and name HN   )(resid  18 and name HB1  ) 0.0 0.0 3.2 
assign(resid  18 and name HN   )(resid  18 and name HB2  ) 0.0 0.0 4.0 
assign(resid  21 and name HN   )(resid  21 and name HB+  ) 0.0 0.0 4.0 
assign(resid  22 and name HN   )(resid  22 and name HA   ) 3.0 0.5 0.3 
assign(resid  22 and name HN   )(resid  22 and name HB+  ) 0.0 0.0 4.0 
assign(resid  24 and name HN   )(resid  24 and name HA   ) 3.0 0.5 0.3 
assign(resid  24 and name HN   )(resid  24 and name HB   ) 0.0 0.0 2.7 
assign(resid  25 and name HN   )(resid  25 and name HA   ) 3.0 0.5 0.3 
assign(resid  26 and name HN   )(resid  26 and name HA   ) 3.0 0.5 0.3 
assign(resid  26 and name HN   )(resid  26 and name HB+  ) 0.0 0.0 4.0 
assign(resid  26 and name HN   )(resid  26 and name HD++ ) 0.0 0.0 5.5 
assign(resid  27 and name HN   )(resid  27 and name HA   ) 3.0 0.5 0.3 
assign(resid  27 and name HN   )(resid  27 and name HB1  ) 0.0 0.0 3.2 
assign(resid  27 and name HN   )(resid  27 and name HB2  ) 0.0 0.0 4.0 
assign(resid  28 and name HN   )(resid  28 and name HA   ) 3.0 0.5 0.3 
assign(resid  28 and name HN   )(resid  28 and name HB+  ) 0.0 0.0 3.5 
assign(resid  28 and name HN   )(resid  28 and name HG+  ) 0.0 0.0 4.0 
assign(resid  29 and name HN   )(resid  29 and name HA   ) 3.0 0.5 0.3 
assign(resid  29 and name HN   )(resid  29 and name HB+  ) 0.0 0.0 3.5 
assign(resid  30 and name HN   )(resid  30 and name HA   ) 0.0 0.0 2.7 
assign(resid  31 and name HN   )(resid  31 and name HA   ) 3.0 0.5 0.3 
assign(resid  31 and name HN   )(resid  31 and name HB+  ) 0.0 0.0 3.5 
assign(resid  31 and name HN   )(resid  31 and name HD+  ) 0.0 0.0 5.8 
assign(resid  32 and name HN   )(resid  32 and name HA   ) 3.0 0.5 0.3 
assign(resid  32 and name HN   )(resid  32 and name HB+  ) 0.0 0.0 3.5 
assign(resid  33 and name HN   )(resid  33 and name HA   ) 3.0 0.5 0.3 
assign(resid  33 and name HN   )(resid  33 and name HB+  ) 0.0 0.0 3.5 
assign(resid  33 and name HN   )(resid  33 and name HD1+ ) 0.0 0.0 4.8 
assign(resid  33 and name HN   )(resid  33 and name HD2+ ) 0.0 0.0 4.8 
assign(resid  34 and name HN   )(resid  34 and name HA   ) 3.0 0.5 0.3 
assign(resid  34 and name HN   )(resid  34 and name HB+  ) 0.0 0.0 3.5 
assign(resid  34 and name HN   )(resid  34 and name HD1+ ) 0.0 0.0 4.8 
assign(resid  34 and name HN   )(resid  34 and name HD2+ ) 0.0 0.0 4.8 
assign(resid  35 and name HN   )(resid  35 and name HA   ) 0.0 0.0 2.7 
assign(resid  36 and name HN   )(resid  36 and name HA   ) 0.0 0.0 2.7 
assign(resid  36 and name HN   )(resid  36 and name HB+  ) 0.0 0.0 3.5 
assign(resid  37 and name HN   )(resid  37 and name HA   ) 3.0 0.5 0.3 
assign(resid  37 and name HN   )(resid  37 and name HB1  ) 0.0 0.0 3.2 
assign(resid  37 and name HN   )(resid  37 and name HB2  ) 0.0 0.0 4.0 
assign(resid  37 and name HN   )(resid  37 and name HG+  ) 0.0 0.0 4.0 
assign(resid  38 and name HN   )(resid  38 and name HA   ) 0.0 0.0 4.0 
assign(resid  38 and name HN   )(resid  38 and name HB   ) 0.0 0.0 2.7 
assign(resid  38 and name HN   )(resid  38 and name HD1+ ) 0.0 0.0 5.8 
assign(resid  38 and name HN   )(resid  38 and name HG1+ ) 0.0 0.0 4.0 
assign(resid  38 and name HN   )(resid  38 and name HG2+ ) 0.0 0.0 4.8 
assign(resid  39 and name HN   )(resid  39 and name HA1  ) 3.0 0.5 0.3 
assign(resid  39 and name HN   )(resid  39 and name HA2  ) 0.0 0.0 2.7 
assign(resid  40 and name HN   )(resid  40 and name HA   ) 3.0 0.5 0.3 
assign(resid  40 and name HN   )(resid  40 and name HB1  ) 0.0 0.0 4.0 
assign(resid  40 and name HN   )(resid  40 and name HB2  ) 0.0 0.0 2.7 
assign(resid  41 and name HN   )(resid  41 and name HA   ) 3.0 0.5 0.3 
assign(resid  41 and name HN   )(resid  41 and name HB   ) 0.0 0.0 2.7 
assign(resid  41 and name HN   )(resid  41 and name HG1+ ) 0.0 0.0 4.8 
assign(resid  41 and name HN   )(resid  41 and name HG2+ ) 0.0 0.0 4.0 
assign(resid  42 and name HN   )(resid  42 and name HA   ) 3.0 0.5 0.3 
assign(resid  42 and name HN   )(resid  42 and name HG2+ ) 0.0 0.0 3.5 
assign(resid  42 and name HN   )(resid  42 and name HG1+ ) 0.0 0.0 4.0 
assign(resid  43 and name HN   )(resid  43 and name HA   ) 3.0 0.5 0.3 
assign(resid  44 and name HN   )(resid  44 and name HA   ) 3.0 0.5 0.3 
assign(resid  44 and name HN   )(resid  44 and name HB   ) 0.0 0.0 3.2 
assign(resid  44 and name HN   )(resid  44 and name HD1+ ) 0.0 0.0 5.8 
assign(resid  44 and name HN   )(resid  44 and name HG1+ ) 0.0 0.0 4.0 
assign(resid  44 and name HN   )(resid  44 and name HG2+ ) 0.0 0.0 4.8 
assign(resid  45 and name HN   )(resid  45 and name HA   ) 3.0 0.5 0.3 
assign(resid  45 and name HN   )(resid  45 and name HB1  ) 0.0 0.0 3.2 
assign(resid  45 and name HN   )(resid  45 and name HB2  ) 0.0 0.0 3.2 
assign(resid  45 and name HN   )(resid  45 and name HG+  ) 0.0 0.0 4.8 
assign(resid  46 and name HN   )(resid  46 and name HA   ) 3.0 0.5 0.3 
assign(resid  46 and name HN   )(resid  46 and name HB+  ) 0.0 0.0 4.0 
assign(resid  47 and name HN   )(resid  47 and name HA   ) 3.0 0.5 0.3 
assign(resid  47 and name HN   )(resid  47 and name HB   ) 0.0 0.0 3.2 
assign(resid  47 and name HN   )(resid  47 and name HG2+ ) 0.0 0.0 4.8 
assign(resid  48 and name HN   )(resid  48 and name HA   ) 3.0 0.5 0.3 
assign(resid  48 and name HN   )(resid  48 and name HB+  ) 0.0 0.0 5.8 
assign(resid  48 and name HN   )(resid  48 and name HD+  ) 0.0 0.0 5.8 
assign(resid  48 and name HN   )(resid  48 and name HG+  ) 0.0 0.0 4.0 
assign(resid  49 and name HN   )(resid  49 and name HA   ) 3.0 0.5 0.3 
assign(resid  49 and name HN   )(resid  49 and name HB+  ) 0.0 0.0 4.0 
assign(resid  49 and name HN   )(resid  49 and name HG+  ) 0.0 0.0 4.0 
assign(resid  49 and name HN   )(resid  49 and name HD+  ) 0.0 0.0 5.8 
assign(resid  50 and name HN   )(resid  50 and name HA   ) 3.0 0.5 0.3 
assign(resid  50 and name HN   )(resid  50 and name HG2+ ) 0.0 0.0 4.0 
assign(resid  51 and name HN   )(resid  51 and name HA   ) 3.0 0.5 0.3 
assign(resid  51 and name HN   )(resid  51 and name HB   ) 0.0 0.0 4.0 
assign(resid  51 and name HN   )(resid  51 and name HG++ ) 0.0 0.0 4.2 
assign(resid  53 and name HN   )(resid  53 and name HA   ) 3.0 0.5 0.3 
assign(resid  53 and name HN   )(resid  53 and name HB+  ) 0.0 0.0 3.5 
assign(resid  53 and name HN   )(resid  53 and name HG+  ) 0.0 0.0 4.8 
assign(resid  53 and name HN   )(resid  53 and name HD+  ) 0.0 0.0 5.8 
assign(resid  54 and name HN   )(resid  54 and name HA   ) 3.0 0.5 0.3 
assign(resid  54 and name HN   )(resid  54 and name HB   ) 0.0 0.0 3.2 
assign(resid  54 and name HN   )(resid  54 and name HG2+ ) 0.0 0.0 4.8 
assign(resid  54 and name HN   )(resid  54 and name HG1+ ) 0.0 0.0 3.5 
assign(resid  55 and name HN   )(resid  55 and name HB1  ) 0.0 0.0 4.0 
assign(resid  55 and name HN   )(resid  55 and name HB2  ) 0.0 0.0 3.2 
assign(resid  56 and name HN   )(resid  56 and name HA   ) 0.0 0.0 4.0 
assign(resid  56 and name HN   )(resid  56 and name HB+  ) 0.0 0.0 3.5 
assign(resid  57 and name HN   )(resid  57 and name HA   ) 3.0 0.5 0.3 
assign(resid  57 and name HN   )(resid  57 and name HB+  ) 0.0 0.0 3.5 
assign(resid  58 and name HN   )(resid  58 and name HA   ) 3.0 0.5 0.3 
assign(resid  58 and name HN   )(resid  58 and name HB+  ) 0.0 0.0 4.0 
assign(resid  60 and name HN   )(resid  60 and name HA   ) 3.0 0.5 0.3 
assign(resid  60 and name HN   )(resid  60 and name HB+  ) 0.0 0.0 3.5 
assign(resid  60 and name HN   )(resid  60 and name HG+  ) 0.0 0.0 4.0 
assign(resid  61 and name HN   )(resid  61 and name HA   ) 3.0 0.5 0.3 
assign(resid  61 and name HN   )(resid  61 and name HB+  ) 0.0 0.0 3.5 
assign(resid  62 and name HN   )(resid  62 and name HA   ) 3.0 0.5 0.3 
assign(resid  62 and name HN   )(resid  62 and name HB+  ) 0.0 0.0 3.5 
assign(resid  62 and name HN   )(resid  62 and name HG+  ) 0.0 0.0 3.5 
assign(resid  63 and name HN   )(resid  63 and name HA   ) 3.0 0.5 0.3 
assign(resid  63 and name HN   )(resid  63 and name HB+  ) 0.0 0.0 4.0 
assign(resid  64 and name HN   )(resid  64 and name HA   ) 3.0 0.5 0.3 
assign(resid  64 and name HN   )(resid  64 and name HB+  ) 0.0 0.0 3.5 
assign(resid  64 and name HN   )(resid  64 and name HG+  ) 0.0 0.0 4.0 
assign(resid  64 and name HN   )(resid  64 and name HD+  ) 0.0 0.0 4.8 
assign(resid  65 and name HN   )(resid  65 and name HA1  ) 0.0 0.0 2.7 
assign(resid  65 and name HN   )(resid  65 and name HA2  ) 0.0 0.0 2.7 
assign(resid  66 and name HA   )(resid  66 and name HB   ) 0.0 0.0 2.7 
assign(resid  66 and name HN   )(resid  66 and name HA   ) 3.0 0.5 0.3 
assign(resid  66 and name HN   )(resid  66 and name HB   ) 0.0 0.0 4.0 
assign(resid  67 and name HN   )(resid  67 and name HB   ) 0.0 0.0 4.0 
assign(resid  67 and name HN   )(resid  67 and name HG1+ ) 0.0 0.0 3.5 
assign(resid  68 and name HN   )(resid  68 and name HA   ) 3.0 0.5 0.3 
assign(resid  69 and name HN   )(resid  69 and name HA   ) 3.0 0.5 0.3 
assign(resid  69 and name HN   )(resid  69 and name HD1+ ) 0.0 0.0 5.8 
assign(resid  69 and name HN   )(resid  69 and name HG1+ ) 0.0 0.0 4.0 
assign(resid  69 and name HN   )(resid  69 and name HG2+ ) 0.0 0.0 4.8 
assign(resid  70 and name HN   )(resid  70 and name HA   ) 3.0 0.5 0.3 
assign(resid  70 and name HN   )(resid  70 and name HB+  ) 0.0 0.0 3.5 
assign(resid  71 and name HN   )(resid  71 and name HA   ) 3.0 0.5 0.3 
assign(resid  71 and name HN   )(resid  71 and name HB+  ) 0.0 0.0 4.0 
assign(resid  72 and name HN   )(resid  72 and name HA   ) 3.0 0.5 0.3 
assign(resid  72 and name HN   )(resid  72 and name HB   ) 0.0 0.0 2.7 
assign(resid  72 and name HN   )(resid  72 and name HG1+ ) 0.0 0.0 4.8 
assign(resid  72 and name HN   )(resid  72 and name HG2+ ) 0.0 0.0 3.5 
assign(resid  73 and name HN   )(resid  73 and name HA   ) 3.0 0.5 0.3 
assign(resid  74 and name HN   )(resid  74 and name HA   ) 3.0 0.5 0.3 
assign(resid  74 and name HN   )(resid  74 and name HB+  ) 0.0 0.0 3.5 
assign(resid  75 and name HN   )(resid  75 and name HA   ) 3.0 0.5 0.3 
assign(resid  75 and name HN   )(resid  75 and name HB+  ) 0.0 0.0 4.0 
assign(resid  76 and name HN   )(resid  76 and name HA   ) 3.0 0.5 0.3 
assign(resid  76 and name HN   )(resid  76 and name HB+  ) 0.0 0.0 4.0 
assign(resid  77 and name HN   )(resid  77 and name HA   ) 3.0 0.5 0.3 
assign(resid  77 and name HN   )(resid  77 and name HB2  ) 0.0 0.0 4.0 
assign(resid  77 and name HN   )(resid  77 and name HB1  ) 0.0 0.0 3.2 
assign(resid  78 and name HN   )(resid  78 and name HA+  ) 0.0 0.0 3.5 
assign(resid  79 and name HN   )(resid  79 and name HA   ) 3.0 0.5 0.3 
assign(resid  79 and name HN   )(resid  79 and name HB+  ) 0.0 0.0 4.0 
assign(resid  80 and name HN   )(resid  80 and name HA   ) 3.0 0.5 0.3 
assign(resid  80 and name HN   )(resid  80 and name HB1  ) 0.0 0.0 3.2 
assign(resid  80 and name HN   )(resid  80 and name HB2  ) 0.0 0.0 4.0 
assign(resid  81 and name HD1+ )(resid  81 and name HA   ) 0.0 0.0 4.0 
assign(resid  81 and name HN   )(resid  81 and name HA   ) 3.0 0.5 0.3 
assign(resid  81 and name HN   )(resid  81 and name HB   ) 0.0 0.0 2.7 
assign(resid  81 and name HN   )(resid  81 and name HG2+ ) 0.0 0.0 4.0 
assign(resid  82 and name HN   )(resid  82 and name HA1  ) 3.0 0.5 0.3 
assign(resid  82 and name HN   )(resid  82 and name HA2  ) 0.0 0.0 2.7 
assign(resid  83 and name HN   )(resid  83 and name HA   ) 0.0 0.0 2.7 
assign(resid  83 and name HN   )(resid  83 and name HB1  ) 0.0 0.0 3.2 
assign(resid  83 and name HN   )(resid  83 and name HB2  ) 0.0 0.0 2.7 
assign(resid  84 and name HN   )(resid  84 and name HA   ) 3.0 0.5 0.3 
assign(resid  85 and name HN   )(resid  85 and name HA   ) 3.0 0.5 0.3 
assign(resid  85 and name HN   )(resid  85 and name HG2+ ) 0.0 0.0 3.5 
assign(resid  86 and name HN   )(resid  86 and name HA   ) 3.0 0.5 0.3 
assign(resid  86 and name HN   )(resid  86 and name HB1  ) 0.0 0.0 3.2 
assign(resid  86 and name HN   )(resid  86 and name HB2  ) 0.0 0.0 3.2 
assign(resid  86 and name HN   )(resid  86 and name HG+  ) 0.0 0.0 4.8 
assign(resid  86 and name HN   )(resid  86 and name HD+  ) 0.0 0.0 5.8 
assign(resid  87 and name HN   )(resid  87 and name HA   ) 3.0 0.5 0.3 
assign(resid  87 and name HN   )(resid  87 and name HB   ) 0.0 0.0 3.2 
assign(resid  87 and name HN   )(resid  87 and name HG++ ) 0.0 0.0 4.5 
assign(resid  88 and name HN   )(resid  88 and name HA   ) 3.0 0.5 0.3 
assign(resid  88 and name HN   )(resid  88 and name HB+  ) 0.0 0.0 4.0 
assign(resid  89 and name HN   )(resid  89 and name HA   ) 3.0 0.5 0.3 
assign(resid  89 and name HN   )(resid  89 and name HB+  ) 0.0 0.0 3.5 
assign(resid  89 and name HN   )(resid  89 and name HG+  ) 0.0 0.0 4.8 
assign(resid  90 and name HN   )(resid  90 and name HA   ) 3.0 0.5 0.3 
assign(resid  90 and name HN   )(resid  90 and name HG1+ ) 0.0 0.0 4.0 
assign(resid  90 and name HN   )(resid  90 and name HG2+ ) 0.0 0.0 3.5 
assign(resid  91 and name HN   )(resid  91 and name HA   ) 3.0 0.5 0.3 
assign(resid  91 and name HN   )(resid  91 and name HB+  ) 0.0 0.0 3.5 
assign(resid  91 and name HN   )(resid  91 and name HD+  ) 0.0 0.0 5.8 
assign(resid  92 and name HN   )(resid  92 and name HA   ) 3.0 0.5 0.3 
assign(resid  92 and name HN   )(resid  92 and name HB   ) 0.0 0.0 4.0 
assign(resid  92 and name HN   )(resid  92 and name HG2+ ) 0.0 0.0 4.0 
assign(resid  93 and name HN   )(resid  93 and name HB1  ) 0.0 0.0 4.0 
assign(resid  93 and name HN   )(resid  93 and name HB2  ) 0.0 0.0 4.0 
assign(resid  93 and name HN   )(resid  93 and name HG+  ) 0.0 0.0 4.8 
assign(resid  94 and name HN   )(resid  94 and name HA   ) 3.0 0.5 0.3 
assign(resid  94 and name HN   )(resid  94 and name HB   ) 0.0 0.0 2.7 
assign(resid  94 and name HN   )(resid  94 and name HD1+ ) 0.0 0.0 4.8 
assign(resid  94 and name HN   )(resid  94 and name HG1+ ) 0.0 0.0 3.5 
assign(resid  94 and name HN   )(resid  94 and name HG2+ ) 0.0 0.0 4.8 
assign(resid  95 and name HN   )(resid  95 and name HA   ) 3.0 0.5 0.3 
assign(resid  95 and name HN   )(resid  95 and name HB+  ) 0.0 0.0 3.5 
assign(resid  96 and name HN   )(resid  96 and name HA   ) 3.0 0.5 0.3 
assign(resid  96 and name HN   )(resid  96 and name HB1  ) 0.0 0.0 3.2 
assign(resid  96 and name HN   )(resid  96 and name HB2  ) 0.0 0.0 4.0 
assign(resid  96 and name HN   )(resid  96 and name HD+  ) 0.0 0.0 5.8 
assign(resid  96 and name HN   )(resid  96 and name HE+  ) 0.0 0.0 5.8 
assign(resid  96 and name HN   )(resid  96 and name HG+  ) 0.0 0.0 4.0 
assign(resid  97 and name HN   )(resid  97 and name HA   ) 3.0 0.5 0.3 
assign(resid  97 and name HN   )(resid  97 and name HB+  ) 0.0 0.0 4.0 
assign(resid  98 and name HN   )(resid  98 and name HA   ) 3.0 0.5 0.3 
assign(resid  99 and name HN   )(resid  99 and name HA   ) 3.0 0.5 0.3 
assign(resid  99 and name HN   )(resid  99 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 100 and name HN   )(resid 100 and name HA   ) 3.0 0.5 0.3 
assign(resid 100 and name HN   )(resid 100 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 100 and name HN   )(resid 100 and name HD2+ ) 0.0 0.0 4.8 
assign(resid 100 and name HN   )(resid 100 and name HG   ) 0.0 0.0 4.0 
assign(resid 101 and name HN   )(resid 101 and name HA   ) 3.0 0.5 0.3 
assign(resid 101 and name HN   )(resid 101 and name HB+  ) 0.0 0.0 3.5 
assign(resid 103 and name HN   )(resid 103 and name HB   ) 0.0 0.0 2.7 
assign(resid 103 and name HN   )(resid 103 and name HD1+ ) 0.0 0.0 4.0 
assign(resid 103 and name HN   )(resid 103 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 103 and name HN   )(resid 103 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 104 and name HN   )(resid 104 and name HA   ) 3.0 0.5 0.3 
assign(resid 104 and name HN   )(resid 104 and name HB   ) 0.0 0.0 4.0 
assign(resid 104 and name HN   )(resid 104 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 104 and name HN   )(resid 104 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 104 and name HN   )(resid 104 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 105 and name HN   )(resid 105 and name HA   ) 3.0 0.5 0.3 
assign(resid 105 and name HN   )(resid 105 and name HB+  ) 0.0 0.0 3.5 
assign(resid 105 and name HN   )(resid 105 and name HD+  ) 0.0 0.0 4.8 
assign(resid 106 and name HN   )(resid 106 and name HA   ) 3.0 0.5 0.3 
assign(resid 106 and name HN   )(resid 106 and name HB+  ) 0.0 0.0 3.5 
assign(resid 106 and name HN   )(resid 106 and name HG+  ) 0.0 0.0 4.0 
assign(resid 107 and name HN   )(resid 107 and name HA   ) 3.0 0.5 0.3 
assign(resid 107 and name HN   )(resid 107 and name HB1  ) 0.0 0.0 3.2 
assign(resid 107 and name HN   )(resid 107 and name HB2  ) 0.0 0.0 4.0 
assign(resid 108 and name HN   )(resid 108 and name HA   ) 3.0 0.5 0.3 
assign(resid 108 and name HN   )(resid 108 and name HB+  ) 0.0 0.0 3.5 
assign(resid 108 and name HN   )(resid 108 and name HG+  ) 0.0 0.0 4.0 
assign(resid 109 and name HN   )(resid 109 and name HA   ) 3.0 0.5 0.3 
assign(resid 109 and name HN   )(resid 109 and name HB+  ) 0.0 0.0 4.0 
assign(resid 110 and name HN   )(resid 110 and name HA   ) 3.0 0.5 0.3 
assign(resid 110 and name HN   )(resid 110 and name HB1  ) 0.0 0.0 2.7 
assign(resid 110 and name HN   )(resid 110 and name HB2  ) 0.0 0.0 4.0 
assign(resid 110 and name HN   )(resid 110 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 110 and name HN   )(resid 110 and name HD2+ ) 0.0 0.0 4.0 
assign(resid 111 and name HN   )(resid 111 and name HA   ) 3.0 0.5 0.3 
assign(resid 111 and name HN   )(resid 111 and name HB+  ) 0.0 0.0 3.5 
assign(resid 111 and name HN   )(resid 111 and name HG+  ) 0.0 0.0 4.0 
assign(resid 111 and name HN   )(resid 111 and name HD+  ) 0.0 0.0 4.8 
assign(resid 112 and name HN   )(resid 112 and name HA   ) 3.0 0.5 0.3 
assign(resid 112 and name HN   )(resid 112 and name HB1  ) 0.0 0.0 4.0 
assign(resid 112 and name HN   )(resid 112 and name HB2  ) 0.0 0.0 2.7 
assign(resid 114 and name HN   )(resid 114 and name HA   ) 3.0 0.5 0.3 
assign(resid 114 and name HN   )(resid 114 and name HB+  ) 0.0 0.0 3.5 
assign(resid 114 and name HN   )(resid 114 and name HG+  ) 0.0 0.0 4.0 
assign(resid 115 and name HN   )(resid 115 and name HA1  ) 3.0 0.5 0.3 
assign(resid 115 and name HN   )(resid 115 and name HA2  ) 0.0 0.0 2.7 
assign(resid 116 and name HN   )(resid 116 and name HA   ) 3.0 0.5 0.3 
assign(resid 116 and name HN   )(resid 116 and name HB   ) 0.0 0.0 2.7 
assign(resid 116 and name HN   )(resid 116 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 116 and name HN   )(resid 116 and name HG2+ ) 0.0 0.0 3.5 
assign(resid 116 and name HN   )(resid 116 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 117 and name HN   )(resid 117 and name HA   ) 3.0 0.5 0.3 
assign(resid 117 and name HN   )(resid 117 and name HB+  ) 0.0 0.0 3.5 
assign(resid 117 and name HN   )(resid 117 and name HG+  ) 0.0 0.0 4.8 
assign(resid 118 and name HN   )(resid 118 and name HA   ) 3.0 0.5 0.3 
assign(resid 118 and name HN   )(resid 118 and name HB+  ) 0.0 0.0 3.5 
assign(resid 119 and name HN   )(resid 119 and name HA   ) 3.0 0.5 0.3 
assign(resid 119 and name HN   )(resid 119 and name HB+  ) 0.0 0.0 3.5 
assign(resid 120 and name HN   )(resid 120 and name HA   ) 3.0 0.5 0.3 
assign(resid 120 and name HN   )(resid 120 and name HB   ) 0.0 0.0 3.2 
assign(resid 120 and name HN   )(resid 120 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 120 and name HN   )(resid 120 and name HG2+ ) 0.0 0.0 3.5 
assign(resid 121 and name HN   )(resid 121 and name HA   ) 3.0 0.5 0.3 
assign(resid 122 and name HN   )(resid 122 and name HA   ) 3.0 0.5 0.3 
assign(resid 122 and name HN   )(resid 122 and name HB+  ) 0.0 0.0 3.5 
assign(resid 122 and name HN   )(resid 122 and name HD+  ) 0.0 0.0 4.8 
assign(resid 123 and name HN   )(resid 123 and name HA   ) 3.0 0.5 0.3 
assign(resid 123 and name HN   )(resid 123 and name HB+  ) 0.0 0.0 3.5 
assign(resid 124 and name HN   )(resid 124 and name HA   ) 0.0 0.0 4.0 
assign(resid 124 and name HN   )(resid 124 and name HB+  ) 0.0 0.0 3.5 
assign(resid 124 and name HN   )(resid 124 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 124 and name HN   )(resid 124 and name HD2+ ) 0.0 0.0 4.0 
assign(resid 125 and name HN   )(resid 125 and name HA   ) 3.0 0.5 0.3 
assign(resid 125 and name HN   )(resid 125 and name HB   ) 0.0 0.0 2.7 
assign(resid 125 and name HN   )(resid 125 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 125 and name HN   )(resid 125 and name HG2+ ) 0.0 0.0 3.5 
assign(resid 126 and name HN   )(resid 126 and name HA   ) 3.0 0.5 0.3 
assign(resid 126 and name HN   )(resid 126 and name HB1  ) 0.0 0.0 4.0 
assign(resid 127 and name HN   )(resid 127 and name HA   ) 3.0 0.5 0.3 
assign(resid 127 and name HN   )(resid 127 and name HB+  ) 0.0 0.0 4.0 
assign(resid 129 and name HN   )(resid 129 and name HA   ) 3.0 0.5 0.3 
assign(resid 129 and name HN   )(resid 129 and name HB+  ) 0.0 0.0 4.0 
assign(resid 129 and name HN   )(resid 129 and name HG+  ) 0.0 0.0 3.5 
assign(resid 130 and name HN   )(resid 130 and name HA   ) 3.0 0.5 0.3 
assign(resid 130 and name HN   )(resid 130 and name HB+  ) 0.0 0.0 4.0 
assign(resid 130 and name HN   )(resid 130 and name HG   ) 0.0 0.0 4.0 
assign(resid 131 and name HN   )(resid 131 and name HA   ) 0.0 0.0 4.0 
assign(resid 131 and name HN   )(resid 131 and name HB1  ) 0.0 0.0 3.2 
assign(resid 131 and name HN   )(resid 131 and name HB2  ) 0.0 0.0 4.0 
assign(resid 131 and name HN   )(resid 131 and name HG+  ) 0.0 0.0 4.0 
assign(resid 132 and name HN   )(resid 132 and name HA   ) 0.0 0.0 2.7 
assign(resid 132 and name HN   )(resid 132 and name HB+  ) 0.0 0.0 4.0 
assign(resid 132 and name HN   )(resid 132 and name HG+  ) 0.0 0.0 4.8 
assign(resid 133 and name HN   )(resid 133 and name HA   ) 3.0 0.5 0.3 
assign(resid 133 and name HN   )(resid 133 and name HB1  ) 0.0 0.0 2.7 
assign(resid 133 and name HN   )(resid 133 and name HB2  ) 0.0 0.0 4.0 
assign(resid 134 and name HN   )(resid 134 and name HA   ) 0.0 0.0 4.0 
assign(resid 134 and name HN   )(resid 134 and name HB1  ) 0.0 0.0 4.0 
assign(resid 134 and name HN   )(resid 134 and name HB2  ) 0.0 0.0 3.2 
assign(resid 134 and name HN   )(resid 134 and name HD21 ) 0.0 0.0 3.2 
assign(resid 134 and name HN   )(resid 134 and name HD22 ) 0.0 0.0 4.0 
assign(resid 135 and name HN   )(resid 135 and name HA   ) 3.0 0.5 0.3 
assign(resid 135 and name HN   )(resid 135 and name HB   ) 0.0 0.0 4.0 
assign(resid 135 and name HN   )(resid 135 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 135 and name HN   )(resid 135 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 135 and name HN   )(resid 135 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 136 and name HN   )(resid 136 and name HA   ) 3.0 0.5 0.3 
assign(resid 136 and name HN   )(resid 136 and name HB+  ) 0.0 0.0 3.5 
assign(resid 137 and name HN   )(resid 137 and name HA   ) 3.0 0.5 0.3 
assign(resid 137 and name HN   )(resid 137 and name HB   ) 0.0 0.0 2.7 
assign(resid 137 and name HN   )(resid 137 and name HG2+ ) 0.0 0.0 3.5 
assign(resid 140 and name HN   )(resid 140 and name HA   ) 3.0 0.5 0.3 
assign(resid 140 and name HN   )(resid 140 and name HB1  ) 0.0 0.0 2.7 
assign(resid 140 and name HN   )(resid 140 and name HB2  ) 0.0 0.0 4.0 
assign(resid 140 and name HN   )(resid 140 and name HD++ ) 0.0 0.0 4.7 
assign(resid 140 and name HN   )(resid 140 and name HG   ) 0.0 0.0 4.0 
assign(resid 141 and name HA   )(resid 141 and name HB   ) 0.0 0.0 2.7 
assign(resid 141 and name HN   )(resid 141 and name HB   ) 0.0 0.0 4.0 
assign(resid 141 and name HN   )(resid 141 and name HG+  ) 0.0 0.0 4.8 
assign(resid 141 and name HN   )(resid 141 and name HA   ) 3.0 0.5 0.3 
assign(resid 142 and name HN   )(resid 142 and name HA   ) 3.0 0.5 0.3 
assign(resid 142 and name HN   )(resid 142 and name HB+  ) 0.0 0.0 3.5 
assign(resid 142 and name HN   )(resid 142 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 142 and name HN   )(resid 142 and name HD2+ ) 0.0 0.0 4.8 
assign(resid 142 and name HN   )(resid 142 and name HG   ) 0.0 0.0 4.0 
assign(resid 143 and name HN   )(resid 143 and name HA   ) 3.0 0.5 0.3 
assign(resid 143 and name HN   )(resid 143 and name HB+  ) 0.0 0.0 4.0 
assign(resid 145 and name HN   )(resid 145 and name HA   ) 3.0 0.5 0.3 
assign(resid 145 and name HN   )(resid 145 and name HB1  ) 0.0 0.0 2.7 
assign(resid 145 and name HN   )(resid 145 and name HB2  ) 0.0 0.0 4.0 
assign(resid 145 and name HN   )(resid 145 and name HG+  ) 0.0 0.0 4.8 
assign(resid 146 and name HN   )(resid 146 and name HA   ) 3.0 0.5 0.3 
assign(resid 146 and name HN   )(resid 146 and name HB   ) 0.0 0.0 4.0 
assign(resid 146 and name HN   )(resid 146 and name HG2+ ) 0.0 0.0 4.0 
assign(resid 148 and name HN   )(resid 148 and name HA   ) 3.0 0.5 0.3 
assign(resid 148 and name HN   )(resid 148 and name HB+  ) 0.0 0.0 3.5 
assign(resid 148 and name HN   )(resid 148 and name HD++ ) 0.0 0.0 4.7 
assign(resid 148 and name HN   )(resid 148 and name HG   ) 0.0 0.0 4.0 
assign(resid 149 and name HN   )(resid 149 and name HA   ) 3.0 0.5 0.3 
assign(resid 149 and name HN   )(resid 149 and name HB1  ) 0.0 0.0 3.2 
assign(resid 149 and name HN   )(resid 149 and name HB2  ) 0.0 0.0 4.0 
assign(resid 149 and name HN   )(resid 149 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 149 and name HN   )(resid 149 and name HD2+ ) 0.0 0.0 4.8 
assign(resid 150 and name HN   )(resid 150 and name HA   ) 3.0 0.5 0.3 
assign(resid 150 and name HN   )(resid 150 and name HB+  ) 0.0 0.0 4.0 
assign(resid 151 and name HN   )(resid 151 and name HB+  ) 0.0 0.0 3.5 
assign(resid 151 and name HN   )(resid 151 and name HD+  ) 0.0 0.0 5.8 
assign(resid 152 and name HN   )(resid 152 and name HA   ) 3.0 0.5 0.3 
assign(resid 152 and name HN   )(resid 152 and name HB   ) 0.0 0.0 3.2 
assign(resid 152 and name HN   )(resid 152 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 152 and name HN   )(resid 152 and name HG2+ ) 0.0 0.0 3.5 
assign(resid 153 and name HN   )(resid 153 and name HA   ) 3.0 0.5 0.3 
assign(resid 153 and name HN   )(resid 153 and name HB   ) 0.0 0.0 3.2 
assign(resid 154 and name HN   )(resid 154 and name HA   ) 3.0 0.5 0.3 
assign(resid 154 and name HN   )(resid 154 and name HB+  ) 0.0 0.0 4.0 
assign(resid 155 and name HN   )(resid 155 and name HA   ) 3.0 0.5 0.3 
assign(resid 155 and name HN   )(resid 155 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 156 and name HN   )(resid 156 and name HA   ) 3.0 0.5 0.3 
assign(resid 156 and name HN   )(resid 156 and name HB1  ) 0.0 0.0 4.0 
assign(resid 156 and name HN   )(resid 156 and name HB2  ) 0.0 0.0 3.2 
assign(resid 156 and name HN   )(resid 156 and name HG   ) 0.0 0.0 5.0 
assign(resid 157 and name HA   )(resid 157 and name HB1  ) 0.0 0.0 2.7 
assign(resid 157 and name HA   )(resid 157 and name HG+  ) 0.0 0.0 4.0 
assign(resid 158 and name HN   )(resid 158 and name HA   ) 0.0 0.0 4.0 
assign(resid 158 and name HN   )(resid 158 and name HB1  ) 0.0 0.0 3.2 
assign(resid 158 and name HN   )(resid 158 and name HB2  ) 0.0 0.0 3.2 
assign(resid 159 and name HN   )(resid 159 and name HA   ) 0.0 0.0 2.7 
assign(resid 159 and name HN   )(resid 159 and name HB+  ) 0.0 0.0 4.0 
assign(resid 159 and name HN   )(resid 159 and name HD+  ) 0.0 0.0 4.8 
assign(resid 159 and name HN   )(resid 159 and name HG+  ) 0.0 0.0 4.8 
assign(resid 160 and name HN   )(resid 160 and name HA   ) 3.0 0.5 0.3 
assign(resid 160 and name HN   )(resid 160 and name HB   ) 0.0 0.0 4.0 
assign(resid 160 and name HN   )(resid 160 and name HG1+ ) 0.0 0.0 3.5 
assign(resid 160 and name HN   )(resid 160 and name HG2+ ) 0.0 0.0 3.5 
assign(resid 162 and name HN   )(resid 162 and name HA   ) 3.0 0.5 0.3 
assign(resid 162 and name HN   )(resid 162 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 162 and name HN   )(resid 162 and name HG2+ ) 0.0 0.0 3.5 
assign(resid 163 and name HN   )(resid 163 and name HA   ) 3.0 0.5 0.3 
assign(resid 163 and name HN   )(resid 163 and name HB+  ) 0.0 0.0 4.0 
assign(resid 164 and name HN   )(resid 164 and name HA   ) 3.0 0.5 0.3 
assign(resid 164 and name HN   )(resid 164 and name HB   ) 0.0 0.0 3.2 
assign(resid 164 and name HN   )(resid 164 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 164 and name HN   )(resid 164 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 164 and name HN   )(resid 164 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 165 and name HN   )(resid 165 and name HA1  ) 0.0 0.0 2.7 
assign(resid 165 and name HN   )(resid 165 and name HA2  ) 3.0 0.5 0.3 
assign(resid 166 and name HN   )(resid 166 and name HA   ) 3.0 0.5 0.3 
assign(resid 166 and name HN   )(resid 166 and name HB+  ) 0.0 0.0 3.5 
assign(resid 166 and name HN   )(resid 166 and name HG+  ) 0.0 0.0 4.0 
assign(resid 167 and name HN   )(resid 167 and name HA   ) 3.0 0.5 0.3 
assign(resid 167 and name HN   )(resid 167 and name HG+  ) 0.0 0.0 4.0 
assign(resid 168 and name HN   )(resid 168 and name HA   ) 3.0 0.5 0.3 
assign(resid 168 and name HN   )(resid 168 and name HB   ) 0.0 0.0 2.7 
assign(resid 168 and name HN   )(resid 168 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 169 and name HN   )(resid 169 and name HA   ) 3.0 0.5 0.3 
assign(resid 169 and name HN   )(resid 169 and name HB+  ) 0.0 0.0 3.5 
assign(resid 169 and name HN   )(resid 169 and name HD+  ) 0.0 0.0 5.8 
assign(resid 169 and name HN   )(resid 169 and name HG+  ) 0.0 0.0 4.0 
assign(resid 170 and name HN   )(resid 170 and name HA   ) 3.0 0.5 0.3 
assign(resid 170 and name HN   )(resid 170 and name HB   ) 0.0 0.0 3.2 
assign(resid 170 and name HN   )(resid 170 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 170 and name HN   )(resid 170 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 171 and name HN   )(resid 171 and name HA   ) 3.0 0.5 0.3 
assign(resid 171 and name HN   )(resid 171 and name HB1  ) 0.0 0.0 4.0 
assign(resid 171 and name HN   )(resid 171 and name HB2  ) 0.0 0.0 3.2 
assign(resid 171 and name HN   )(resid 171 and name HG+  ) 0.0 0.0 4.0 
assign(resid 172 and name HN   )(resid 172 and name HA   ) 3.0 0.5 0.3 
assign(resid 172 and name HN   )(resid 172 and name HB   ) 0.0 0.0 3.2 
assign(resid 172 and name HN   )(resid 172 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 172 and name HN   )(resid 172 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 173 and name HN   )(resid 173 and name HA   ) 3.0 0.5 0.3 
assign(resid 173 and name HN   )(resid 173 and name HB+  ) 0.0 0.0 3.5 
assign(resid 173 and name HN   )(resid 173 and name HD+  ) 0.0 0.0 5.8 
assign(resid 173 and name HN   )(resid 173 and name HG+  ) 0.0 0.0 4.0 
assign(resid 174 and name HN   )(resid 174 and name HA   ) 3.0 0.5 0.3 
assign(resid 174 and name HN   )(resid 174 and name HB+  ) 0.0 0.0 3.5 
assign(resid 174 and name HN   )(resid 174 and name HG+  ) 0.0 0.0 4.8 
assign(resid 175 and name HN   )(resid 175 and name HA   ) 3.0 0.5 0.3 
assign(resid 175 and name HN   )(resid 175 and name HB+  ) 0.0 0.0 3.5 
assign(resid 177 and name HN   )(resid 177 and name HA   ) 3.0 0.5 0.3 
assign(resid 177 and name HN   )(resid 177 and name HB+  ) 0.0 0.0 4.0 
assign(resid 178 and name HN   )(resid 178 and name HA   ) 3.0 0.5 0.3 
assign(resid 178 and name HN   )(resid 178 and name HB+  ) 0.0 0.0 3.5 
assign(resid 179 and name HN   )(resid 179 and name HA   ) 0.0 0.0 2.7 
assign(resid 180 and name HN   )(resid 180 and name HA   ) 3.0 0.5 0.3 
assign(resid 180 and name HN   )(resid 180 and name HB   ) 0.0 0.0 2.7 
assign(resid 181 and name HN   )(resid 181 and name HA   ) 0.0 0.0 4.0 
assign(resid 181 and name HN   )(resid 181 and name HD++ ) 0.0 0.0 5.5 
!
! inter-residue sequential (643)
!
assign(resid   6 and name HN   )(resid   5 and name HA   ) 0.0 0.0 2.7 
assign(resid   6 and name HN   )(resid   5 and name HB+  ) 0.0 0.0 4.0 
assign(resid   6 and name HN   )(resid   7 and name HN   ) 3.2 0.0 3.0 
assign(resid   7 and name HN   )(resid   6 and name HA1  ) 0.0 0.0 2.7 
assign(resid   7 and name HN   )(resid   6 and name HA2  ) 0.0 0.0 3.2 
assign(resid   7 and name HN   )(resid   8 and name HN   ) 3.2 0.0 3.0 
assign(resid   8 and name HN   )(resid   7 and name HA   ) 0.0 0.0 2.7 
assign(resid   8 and name HN   )(resid   7 and name HB   ) 0.0 0.0 3.2 
assign(resid   8 and name HN   )(resid   7 and name HG1+ ) 0.0 0.0 5.8 
assign(resid   8 and name HN   )(resid   7 and name HD1+ ) 0.0 0.0 5.8 
assign(resid   8 and name HN   )(resid   9 and name HN   ) 3.2 0.0 3.0 
assign(resid   9 and name HN   )(resid   8 and name HA   ) 0.0 0.0 2.7 
assign(resid   9 and name HN   )(resid   8 and name HB   ) 0.0 0.0 5.0 
assign(resid   9 and name HN   )(resid  10 and name HN   ) 3.2 0.0 3.0 
assign(resid  10 and name HN   )(resid   9 and name HA   ) 0.0 0.0 2.7 
assign(resid  10 and name HN   )(resid   9 and name HB+  ) 0.0 0.0 4.0 
assign(resid  10 and name HN   )(resid   9 and name HD1+ ) 0.0 0.0 4.8 
assign(resid  10 and name HN   )(resid   9 and name HD2+ ) 0.0 0.0 5.8 
assign(resid  10 and name HN   )(resid  11 and name HN   ) 3.2 0.0 3.0 
assign(resid  11 and name HN   )(resid  10 and name HA   ) 0.0 0.0 2.7 
assign(resid  11 and name HN   )(resid  10 and name HB+  ) 0.0 0.0 5.8 
assign(resid  11 and name HN   )(resid  12 and name HN   ) 3.2 0.0 3.0 
assign(resid  12 and name HN   )(resid  11 and name HA   ) 0.0 0.0 2.7 
assign(resid  12 and name HN   )(resid  11 and name HG1+ ) 0.0 0.0 5.8 
assign(resid  12 and name HN   )(resid  11 and name HG2+ ) 0.0 0.0 3.5 
assign(resid  12 and name HN   )(resid  13 and name HN   ) 3.2 0.0 3.0 
assign(resid  13 and name HN   )(resid  12 and name HA   ) 0.0 0.0 2.7 
assign(resid  13 and name HN   )(resid  12 and name HB+  ) 0.0 0.0 3.5 
assign(resid  13 and name HN   )(resid  14 and name HN   ) 3.2 0.0 3.0 
assign(resid  18 and name HN   )(resid  17 and name HA   ) 0.0 0.0 4.0 
assign(resid  18 and name HN   )(resid  17 and name HB   ) 0.0 0.0 5.0 
assign(resid  18 and name HN   )(resid  17 and name HG2+ ) 0.0 0.0 4.8 
assign(resid  18 and name HN   )(resid  19 and name HG+  ) 0.0 0.0 4.8 
assign(resid  18 and name HN   )(resid  19 and name HD+  ) 0.0 0.0 3.5 
assign(resid  20 and name HN   )(resid  19 and name HA   ) 0.0 0.0 2.7 
assign(resid  20 and name HN   )(resid  19 and name HB+  ) 0.0 0.0 4.0 
assign(resid  20 and name HN   )(resid  21 and name HN   ) 0.0 0.0 3.2 
assign(resid  21 and name HN   )(resid  20 and name HA1  ) 0.0 0.0 4.0 
assign(resid  21 and name HN   )(resid  20 and name HA2  ) 0.0 0.0 4.0 
assign(resid  22 and name HN   )(resid  21 and name HA   ) 0.0 0.0 4.0 
assign(resid  22 and name HN   )(resid  21 and name HB+  ) 0.0 0.0 4.8 
assign(resid  22 and name HN   )(resid  21 and name HN   ) 0.0 0.0 4.0 
assign(resid  22 and name HN   )(resid  23 and name HN   ) 0.0 0.0 4.0 
assign(resid  23 and name HN   )(resid  22 and name HA   ) 0.0 0.0 3.2 
assign(resid  23 and name HN   )(resid  24 and name HN   ) 3.2 0.0 3.0 
assign(resid  24 and name HN   )(resid  25 and name HN   ) 3.2 0.0 3.0 
assign(resid  25 and name HN   )(resid  24 and name HA   ) 0.0 0.0 2.7 
assign(resid  25 and name HN   )(resid  24 and name HG1+ ) 0.0 0.0 4.0 
assign(resid  25 and name HN   )(resid  24 and name HG2+ ) 0.0 0.0 4.8 
assign(resid  25 and name HN   )(resid  26 and name HN   ) 3.2 0.0 3.0 
assign(resid  26 and name HN   )(resid  25 and name HA   ) 0.0 0.0 2.7 
assign(resid  26 and name HN   )(resid  25 and name HB+  ) 0.0 0.0 4.0 
assign(resid  26 and name HN   )(resid  25 and name HG+  ) 0.0 0.0 4.0 
assign(resid  26 and name HN   )(resid  27 and name HN   ) 3.2 0.0 3.0 
assign(resid  27 and name HN   )(resid  26 and name HA   ) 0.0 0.0 2.7 
assign(resid  27 and name HN   )(resid  26 and name HB+  ) 0.0 0.0 4.8 
assign(resid  27 and name HN   )(resid  26 and name HD++ ) 0.0 0.0 4.7 
assign(resid  27 and name HN   )(resid  26 and name HG   ) 0.0 0.0 4.0 
assign(resid  27 and name HN   )(resid  28 and name HN   ) 3.2 0.0 3.0 
assign(resid  28 and name HN   )(resid  27 and name HA   ) 0.0 0.0 2.7 
assign(resid  28 and name HN   )(resid  27 and name HB1  ) 0.0 0.0 4.0 
assign(resid  28 and name HN   )(resid  27 and name HB2  ) 0.0 0.0 3.2 
assign(resid  29 and name HN   )(resid  28 and name HA   ) 0.0 0.0 5.0 
assign(resid  29 and name HN   )(resid  28 and name HB+  ) 0.0 0.0 3.5 
assign(resid  29 and name HN   )(resid  28 and name HG+  ) 0.0 0.0 4.0 
assign(resid  29 and name HN   )(resid  28 and name HN   ) 0.0 0.0 3.2 
assign(resid  29 and name HN   )(resid  30 and name HN   ) 0.0 0.0 3.2 
assign(resid  30 and name HN   )(resid  29 and name HA   ) 0.0 0.0 4.0 
assign(resid  30 and name HN   )(resid  29 and name HB+  ) 0.0 0.0 3.5 
assign(resid  30 and name HN   )(resid  31 and name HN   ) 0.0 0.0 3.2 
assign(resid  31 and name HN   )(resid  30 and name HA   ) 0.0 0.0 4.0 
assign(resid  31 and name HN   )(resid  30 and name HB+  ) 0.0 0.0 4.8 
assign(resid  31 and name HN   )(resid  32 and name HN   ) 0.0 0.0 3.2 
assign(resid  32 and name HN   )(resid  31 and name HA   ) 0.0 0.0 4.0 
assign(resid  32 and name HN   )(resid  31 and name HB+  ) 0.0 0.0 3.5 
assign(resid  32 and name HN   )(resid  31 and name HG+  ) 0.0 0.0 3.5 
assign(resid  32 and name HN   )(resid  33 and name HN   ) 0.0 0.0 3.2 
assign(resid  33 and name HN   )(resid  32 and name HA   ) 0.0 0.0 4.0 
assign(resid  34 and name HN   )(resid  33 and name HB+  ) 0.0 0.0 4.0 
assign(resid  34 and name HN   )(resid  33 and name HA   ) 0.0 0.0 4.0 
assign(resid  34 and name HN   )(resid  33 and name HD1+ ) 0.0 0.0 5.8 
assign(resid  34 and name HN   )(resid  33 and name HD2+ ) 0.0 0.0 4.8 
assign(resid  34 and name HN   )(resid  33 and name HG   ) 0.0 0.0 3.2 
assign(resid  34 and name HN   )(resid  33 and name HN   ) 0.0 0.0 2.7 
assign(resid  35 and name HN   )(resid  34 and name HA   ) 0.0 0.0 4.0 
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assign(resid 109 and name HN   )(resid 108 and name HB+  ) 0.0 0.0 4.0 
assign(resid 109 and name HN   )(resid 108 and name HG+  ) 0.0 0.0 4.8 
assign(resid 109 and name HN   )(resid 110 and name HN   ) 0.0 0.0 4.0 
assign(resid 110 and name HN   )(resid 109 and name HB+  ) 0.0 0.0 3.5 
assign(resid 110 and name HN   )(resid 109 and name HG+  ) 0.0 0.0 4.0 
assign(resid 110 and name HN   )(resid 111 and name HN   ) 3.2 0.0 3.0 
assign(resid 111 and name HN   )(resid 110 and name HA   ) 0.0 0.0 2.7 
assign(resid 111 and name HN   )(resid 112 and name HN   ) 3.2 0.0 3.0 
assign(resid 112 and name HN   )(resid 111 and name HA   ) 0.0 0.0 2.7 
assign(resid 112 and name HN   )(resid 111 and name HB+  ) 0.0 0.0 4.8 
assign(resid 112 and name HN   )(resid 111 and name HE+  ) 0.0 0.0 5.8 
assign(resid 112 and name HN   )(resid 111 and name HG+  ) 0.0 0.0 4.8 
assign(resid 112 and name HN   )(resid 113 and name HN   ) 0.0 0.0 4.0 
assign(resid 113 and name HN   )(resid 112 and name HA   ) 0.0 0.0 4.0 
assign(resid 113 and name HN   )(resid 112 and name HB1  ) 0.0 0.0 3.2 
assign(resid 113 and name HN   )(resid 112 and name HB2  ) 0.0 0.0 3.2 
assign(resid 113 and name HN   )(resid 112 and name HD+  ) 0.0 0.0 5.5 
assign(resid 113 and name HN   )(resid 114 and name HN   ) 3.2 0.0 3.0 
assign(resid 114 and name HA   )(resid 113 and name HA+  ) 0.0 0.0 4.8 
assign(resid 114 and name HN   )(resid 113 and name HA1  ) 0.0 0.0 2.7 
assign(resid 114 and name HN   )(resid 113 and name HA2  ) 0.0 0.0 2.7 
assign(resid 114 and name HN   )(resid 115 and name HN   ) 3.2 0.0 3.0 
assign(resid 114 and name HA   )(resid 115 and name HA+  ) 0.0 0.0 4.8 
assign(resid 115 and name HN   )(resid 114 and name HA   ) 0.0 0.0 2.7 
assign(resid 115 and name HN   )(resid 114 and name HB+  ) 0.0 0.0 4.8 
assign(resid 115 and name HN   )(resid 114 and name HG+  ) 0.0 0.0 5.8 
assign(resid 115 and name HN   )(resid 116 and name HN   ) 0.0 0.0 4.0 
assign(resid 116 and name HN   )(resid 115 and name HA1  ) 0.0 0.0 4.0 
assign(resid 116 and name HN   )(resid 115 and name HA2  ) 0.0 0.0 4.0 
assign(resid 116 and name HN   )(resid 117 and name HN   ) 0.0 0.0 2.7 
assign(resid 117 and name HN   )(resid 116 and name HA   ) 0.0 0.0 4.0 
assign(resid 117 and name HN   )(resid 116 and name HB   ) 0.0 0.0 4.0 
assign(resid 117 and name HN   )(resid 116 and name HG2+ ) 0.0 0.0 4.0 
assign(resid 117 and name HN   )(resid 116 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 117 and name HN   )(resid 118 and name HN   ) 0.0 0.0 2.7 
assign(resid 118 and name HN   )(resid 117 and name HA   ) 0.0 0.0 4.0 
assign(resid 118 and name HN   )(resid 119 and name HN   ) 0.0 0.0 2.7 
assign(resid 119 and name HN   )(resid 118 and name HA   ) 0.0 0.0 4.0 
assign(resid 119 and name HN   )(resid 118 and name HB+  ) 0.0 0.0 4.0 
assign(resid 119 and name HN   )(resid 118 and name HG+  ) 0.0 0.0 4.8 
assign(resid 119 and name HN   )(resid 120 and name HN   ) 0.0 0.0 2.7 
assign(resid 120 and name HN   )(resid 119 and name HA   ) 0.0 0.0 4.0 
assign(resid 120 and name HN   )(resid 119 and name HB+  ) 0.0 0.0 4.0 
assign(resid 120 and name HN   )(resid 119 and name HD+  ) 0.0 0.0 5.5 
assign(resid 120 and name HN   )(resid 121 and name HN   ) 0.0 0.0 2.7 
assign(resid 121 and name HN   )(resid 120 and name HA   ) 0.0 0.0 4.0 
assign(resid 121 and name HN   )(resid 120 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 121 and name HN   )(resid 120 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 121 and name HN   )(resid 122 and name HN   ) 0.0 0.0 2.7 
assign(resid 122 and name HN   )(resid 121 and name HA   ) 0.0 0.0 4.0 
assign(resid 122 and name HN   )(resid 121 and name HB+  ) 0.0 0.0 4.0 
assign(resid 122 and name HN   )(resid 123 and name HB+  ) 0.0 0.0 5.8 
assign(resid 122 and name HN   )(resid 123 and name HN   ) 0.0 0.0 2.7 
assign(resid 123 and name HA   )(resid 122 and name HB+  ) 0.0 0.0 5.8 
assign(resid 123 and name HA   )(resid 122 and name HD+  ) 0.0 0.0 5.8 
assign(resid 123 and name HA   )(resid 122 and name HG+  ) 0.0 0.0 5.8 
assign(resid 123 and name HN   )(resid 122 and name HA   ) 0.0 0.0 4.0 
assign(resid 123 and name HN   )(resid 122 and name HB+  ) 0.0 0.0 4.0 
assign(resid 123 and name HN   )(resid 122 and name HG+  ) 0.0 0.0 4.0 
assign(resid 123 and name HN   )(resid 124 and name HN   ) 0.0 0.0 2.7 
assign(resid 124 and name HN   )(resid 123 and name HA   ) 0.0 0.0 4.0 
assign(resid 124 and name HN   )(resid 123 and name HB+  ) 0.0 0.0 4.0 
assign(resid 124 and name HN   )(resid 125 and name HN   ) 0.0 0.0 2.7 
assign(resid 125 and name HN   )(resid 124 and name HA   ) 0.0 0.0 4.0 
assign(resid 125 and name HN   )(resid 124 and name HB+  ) 0.0 0.0 4.8 
assign(resid 125 and name HN   )(resid 124 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 125 and name HN   )(resid 124 and name HD2+ ) 0.0 0.0 5.8 
assign(resid 125 and name HN   )(resid 126 and name HN   ) 3.2 0.0 3.0 
assign(resid 126 and name HN   )(resid 125 and name HA   ) 0.0 0.0 3.2 
assign(resid 126 and name HN   )(resid 125 and name HB   ) 0.0 0.0 5.0 
assign(resid 126 and name HN   )(resid 125 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 126 and name HN   )(resid 125 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 126 and name HN   )(resid 125 and name HG2+ ) 0.0 0.0 4.0 
assign(resid 126 and name HN   )(resid 127 and name HN   ) 3.2 0.0 3.0 
assign(resid 127 and name HN   )(resid 126 and name HA   ) 0.0 0.0 4.0 
assign(resid 127 and name HN   )(resid 126 and name HB+  ) 0.0 0.0 4.8 
assign(resid 127 and name HN   )(resid 126 and name HG+  ) 0.0 0.0 4.8 
assign(resid 127 and name HN   )(resid 128 and name HD+  ) 0.0 0.0 5.8 
assign(resid 129 and name HN   )(resid 128 and name HA   ) 0.0 0.0 2.7 
assign(resid 129 and name HN   )(resid 128 and name HB+  ) 0.0 0.0 4.0 
assign(resid 129 and name HN   )(resid 128 and name HG+  ) 0.0 0.0 5.8 
assign(resid 129 and name HN   )(resid 130 and name HN   ) 3.2 0.0 3.0 
assign(resid 130 and name HN   )(resid 129 and name HA   ) 0.0 0.0 2.7 
assign(resid 130 and name HN   )(resid 129 and name HB+  ) 0.0 0.0 4.0 
assign(resid 130 and name HN   )(resid 131 and name HN   ) 3.2 0.0 3.0 
assign(resid 131 and name HN   )(resid 130 and name HA   ) 0.0 0.0 2.7 
assign(resid 131 and name HN   )(resid 130 and name HB+  ) 0.0 0.0 4.8 
assign(resid 131 and name HN   )(resid 130 and name HD++ ) 0.0 0.0 4.7 
assign(resid 131 and name HN   )(resid 130 and name HG   ) 0.0 0.0 5.0 
assign(resid 131 and name HN   )(resid 132 and name HN   ) 3.2 0.0 3.0 
assign(resid 132 and name HE21 )(resid 131 and name HB+  ) 0.0 0.0 5.8 
assign(resid 132 and name HE21 )(resid 131 and name HG+  ) 0.0 0.0 5.8 
assign(resid 132 and name HE22 )(resid 131 and name HG+  ) 0.0 0.0 5.8 
assign(resid 132 and name HN   )(resid 131 and name HA   ) 0.0 0.0 4.0 
assign(resid 132 and name HN   )(resid 131 and name HB1  ) 0.0 0.0 5.0 
assign(resid 132 and name HN   )(resid 131 and name HB2  ) 0.0 0.0 5.0 
assign(resid 132 and name HN   )(resid 133 and name HN   ) 0.0 0.0 3.2 
assign(resid 133 and name HN   )(resid 132 and name HA   ) 0.0 0.0 3.2 
assign(resid 133 and name HN   )(resid 134 and name HN   ) 3.2 0.0 3.0 
assign(resid 134 and name HN   )(resid 133 and name HA   ) 0.0 0.0 2.7 
assign(resid 134 and name HN   )(resid 133 and name HB1  ) 0.0 0.0 4.0 
assign(resid 134 and name HN   )(resid 133 and name HB2  ) 0.0 0.0 4.0 
assign(resid 134 and name HN   )(resid 135 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 134 and name HN   )(resid 135 and name HN   ) 3.2 0.0 3.0 
assign(resid 135 and name HN   )(resid 134 and name HA   ) 0.0 0.0 2.7 
assign(resid 135 and name HN   )(resid 134 and name HB+  ) 0.0 0.0 4.8 
assign(resid 135 and name HN   )(resid 136 and name HN   ) 3.2 0.0 3.0 
assign(resid 136 and name HN   )(resid 135 and name HA   ) 0.0 0.0 2.7 
assign(resid 136 and name HN   )(resid 135 and name HB   ) 0.0 0.0 3.2 
assign(resid 136 and name HN   )(resid 135 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 136 and name HN   )(resid 135 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 136 and name HN   )(resid 135 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 136 and name HN   )(resid 137 and name HN   ) 3.2 0.0 3.0 
assign(resid 137 and name HA   )(resid 138 and name HD1  ) 0.0 0.0 4.0 
assign(resid 137 and name HA   )(resid 138 and name HD2  ) 0.0 0.0 4.0 
assign(resid 137 and name HN   )(resid 136 and name HA   ) 0.0 0.0 2.7 
assign(resid 137 and name HN   )(resid 136 and name HB+  ) 0.0 0.0 4.0 
assign(resid 139 and name HN   )(resid 138 and name HA   ) 0.0 0.0 2.7 
assign(resid 139 and name HN   )(resid 138 and name HB+  ) 0.0 0.0 4.8 
assign(resid 139 and name HN   )(resid 140 and name HN   ) 3.2 0.0 3.0 
assign(resid 140 and name HN   )(resid 139 and name HA1  ) 0.0 0.0 4.0 
assign(resid 140 and name HN   )(resid 139 and name HA2  ) 0.0 0.0 2.7 
assign(resid 140 and name HN   )(resid 141 and name HN   ) 3.2 0.0 3.0 
assign(resid 141 and name HN   )(resid 140 and name HB+  ) 0.0 0.0 4.0 
assign(resid 141 and name HN   )(resid 140 and name HD++ ) 0.0 0.0 4.7 
assign(resid 141 and name HN   )(resid 140 and name HA   ) 0.0 0.0 2.7 
assign(resid 141 and name HN   )(resid 142 and name HN   ) 3.2 0.0 3.0 
assign(resid 142 and name HN   )(resid 141 and name HA   ) 0.0 0.0 2.7 
assign(resid 142 and name HN   )(resid 141 and name HB   ) 0.0 0.0 3.2 
assign(resid 142 and name HN   )(resid 141 and name HG2+ ) 0.0 0.0 4.0 
assign(resid 142 and name HN   )(resid 143 and name HN   ) 3.2 0.0 3.0 
assign(resid 143 and name HN   )(resid 142 and name HA   ) 0.0 0.0 3.2 
assign(resid 143 and name HN   )(resid 142 and name HB+  ) 0.0 0.0 4.8 
assign(resid 143 and name HN   )(resid 142 and name HD++ ) 0.0 0.0 5.5 
assign(resid 143 and name HN   )(resid 144 and name HN   ) 3.2 0.0 3.0 
assign(resid 144 and name HN   )(resid 143 and name HA   ) 0.0 0.0 2.7 
assign(resid 144 and name HN   )(resid 143 and name HB+  ) 0.0 0.0 4.8 
assign(resid 144 and name HN   )(resid 145 and name HN   ) 3.2 0.0 3.0 
assign(resid 145 and name HN   )(resid 144 and name HA1  ) 0.0 0.0 4.0 
assign(resid 145 and name HN   )(resid 144 and name HA2  ) 0.0 0.0 2.7 
assign(resid 145 and name HN   )(resid 146 and name HN   ) 3.2 0.0 3.0 
assign(resid 146 and name HN   )(resid 145 and name HA   ) 0.0 0.0 2.7 
assign(resid 146 and name HN   )(resid 145 and name HB1  ) 0.0 0.0 4.0 
assign(resid 146 and name HN   )(resid 145 and name HB2  ) 0.0 0.0 3.2 
assign(resid 146 and name HN   )(resid 145 and name HG+  ) 0.0 0.0 5.8 
assign(resid 146 and name HN   )(resid 147 and name HN   ) 3.2 0.0 3.0 
assign(resid 147 and name HN   )(resid 146 and name HA   ) 0.0 0.0 3.2 
assign(resid 147 and name HN   )(resid 146 and name HB   ) 0.0 0.0 4.0 
assign(resid 147 and name HN   )(resid 146 and name HG+  ) 0.0 0.0 4.8 
assign(resid 147 and name HN   )(resid 148 and name HN   ) 0.0 0.0 4.0 
assign(resid 148 and name HN   )(resid 149 and name HN   ) 3.2 0.0 3.0 
assign(resid 149 and name HN   )(resid 148 and name HB+  ) 0.0 0.0 4.8 
assign(resid 149 and name HN   )(resid 150 and name HN   ) 3.2 0.0 3.0 
assign(resid 150 and name HN   )(resid 149 and name HA   ) 0.0 0.0 2.7 
assign(resid 150 and name HN   )(resid 149 and name HB+  ) 0.0 0.0 4.0 
assign(resid 150 and name HN   )(resid 149 and name HD1+ ) 0.0 0.0 4.0 
assign(resid 150 and name HN   )(resid 149 and name HD2+ ) 0.0 0.0 5.8 
assign(resid 150 and name HN   )(resid 149 and name HG   ) 0.0 0.0 5.0 
assign(resid 150 and name HN   )(resid 151 and name HN   ) 3.2 0.0 3.0 
assign(resid 151 and name HN   )(resid 150 and name HB+  ) 0.0 0.0 4.8 
assign(resid 151 and name HN   )(resid 152 and name HN   ) 3.2 0.0 3.0 
assign(resid 152 and name HN   )(resid 151 and name HA   ) 0.0 0.0 2.7 
assign(resid 152 and name HN   )(resid 151 and name HB+  ) 0.0 0.0 4.8 
assign(resid 152 and name HN   )(resid 151 and name HD+  ) 0.0 0.0 4.8 
assign(resid 152 and name HN   )(resid 151 and name HG+  ) 0.0 0.0 5.8 
assign(resid 152 and name HN   )(resid 153 and name HN   ) 3.2 0.0 3.0 
assign(resid 153 and name HN   )(resid 152 and name HA   ) 0.0 0.0 2.7 
assign(resid 153 and name HN   )(resid 152 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 153 and name HN   )(resid 154 and name HN   ) 0.0 0.0 2.7 
assign(resid 154 and name HN   )(resid 153 and name HA   ) 0.0 0.0 4.0 
assign(resid 154 and name HN   )(resid 153 and name HB   ) 0.0 0.0 3.2 
assign(resid 154 and name HN   )(resid 153 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 154 and name HN   )(resid 155 and name HN   ) 3.2 0.0 3.0 
assign(resid 155 and name HN   )(resid 154 and name HA   ) 0.0 0.0 2.7 
assign(resid 155 and name HN   )(resid 154 and name HB+  ) 0.0 0.0 4.8 
assign(resid 155 and name HN   )(resid 154 and name HD+  ) 0.0 0.0 4.8 
assign(resid 155 and name HN   )(resid 154 and name HE+  ) 0.0 0.0 5.8 
assign(resid 155 and name HN   )(resid 154 and name HG+  ) 0.0 0.0 4.0 
assign(resid 155 and name HN   )(resid 156 and name HN   ) 3.2 0.0 3.0 
assign(resid 156 and name HN   )(resid 155 and name HA   ) 0.0 0.0 2.7 
assign(resid 156 and name HN   )(resid 155 and name HB   ) 0.0 0.0 4.0 
assign(resid 156 and name HN   )(resid 155 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 157 and name HA   )(resid 156 and name HB+  ) 0.0 0.0 5.8 
assign(resid 157 and name HA   )(resid 158 and name HB+  ) 0.0 0.0 5.8 
assign(resid 158 and name HN   )(resid 157 and name HA   ) 0.0 0.0 3.2 
assign(resid 158 and name HN   )(resid 157 and name HB1  ) 0.0 0.0 4.0 
assign(resid 158 and name HN   )(resid 157 and name HB2  ) 0.0 0.0 4.0 
assign(resid 158 and name HN   )(resid 157 and name HD+  ) 0.0 0.0 5.8 
assign(resid 158 and name HN   )(resid 157 and name HG+  ) 0.0 0.0 4.8 
assign(resid 158 and name HN   )(resid 159 and name HN   ) 3.2 0.0 3.0 
assign(resid 159 and name HN   )(resid 158 and name HA   ) 0.0 0.0 3.2 
assign(resid 159 and name HN   )(resid 158 and name HB1  ) 0.0 0.0 4.0 
assign(resid 159 and name HN   )(resid 158 and name HB2  ) 0.0 0.0 5.0 
assign(resid 159 and name HN   )(resid 160 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 159 and name HN   )(resid 160 and name HN   ) 0.0 0.0 3.2 
assign(resid 160 and name HA   )(resid 161 and name HD+  ) 0.0 0.0 3.5 
assign(resid 160 and name HB   )(resid 161 and name HD+  ) 0.0 0.0 4.0 
assign(resid 160 and name HN   )(resid 159 and name HA   ) 0.0 0.0 3.2 
assign(resid 160 and name HN   )(resid 159 and name HB+  ) 0.0 0.0 4.8 
assign(resid 160 and name HN   )(resid 159 and name HD+  ) 0.0 0.0 5.8 
assign(resid 160 and name HN   )(resid 159 and name HG+  ) 0.0 0.0 4.8 
assign(resid 160 and name HN   )(resid 161 and name HD+  ) 0.0 0.0 4.8 
assign(resid 162 and name HN   )(resid 161 and name HA   ) 0.0 0.0 2.7 
assign(resid 162 and name HN   )(resid 161 and name HB1  ) 0.0 0.0 4.0 
assign(resid 162 and name HN   )(resid 161 and name HB2  ) 0.0 0.0 5.0 
assign(resid 162 and name HN   )(resid 163 and name HN   ) 3.2 0.0 3.0 
assign(resid 163 and name HN   )(resid 162 and name HA   ) 0.0 0.0 2.7 
assign(resid 163 and name HN   )(resid 162 and name HB   ) 0.0 0.0 2.7 
assign(resid 163 and name HN   )(resid 162 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 163 and name HN   )(resid 162 and name HG2+ ) 0.0 0.0 4.0 
assign(resid 163 and name HN   )(resid 164 and name HN   ) 3.2 0.0 3.0 
assign(resid 164 and name HN   )(resid 163 and name HA   ) 0.0 0.0 2.7 
assign(resid 164 and name HN   )(resid 163 and name HG+  ) 0.0 0.0 4.8 
assign(resid 164 and name HN   )(resid 165 and name HN   ) 3.2 0.0 3.0 
assign(resid 165 and name HN   )(resid 164 and name HA   ) 0.0 0.0 2.7 
assign(resid 165 and name HN   )(resid 164 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 165 and name HN   )(resid 164 and name HG2+ ) 0.0 0.0 3.5 
assign(resid 165 and name HN   )(resid 166 and name HN   ) 3.2 0.0 3.0 
assign(resid 166 and name HA   )(resid 165 and name HA+  ) 0.0 0.0 4.8 
assign(resid 166 and name HN   )(resid 165 and name HA1  ) 0.0 0.0 2.7 
assign(resid 166 and name HN   )(resid 165 and name HA2  ) 0.0 0.0 2.7 
assign(resid 166 and name HN   )(resid 167 and name HN   ) 0.0 0.0 3.2 
assign(resid 167 and name HN   )(resid 166 and name HA   ) 0.0 0.0 4.0 
assign(resid 167 and name HN   )(resid 166 and name HG+  ) 0.0 0.0 4.8 
assign(resid 167 and name HN   )(resid 168 and name HN   ) 0.0 0.0 2.7 
assign(resid 168 and name HN   )(resid 167 and name HA   ) 0.0 0.0 4.0 
assign(resid 168 and name HN   )(resid 167 and name HB+  ) 0.0 0.0 4.0 
assign(resid 168 and name HN   )(resid 167 and name HG+  ) 0.0 0.0 4.0 
assign(resid 168 and name HN   )(resid 169 and name HN   ) 3.2 0.0 3.0 
assign(resid 169 and name HN   )(resid 168 and name HA   ) 0.0 0.0 2.7 
assign(resid 169 and name HN   )(resid 168 and name HB   ) 0.0 0.0 5.0 
assign(resid 169 and name HN   )(resid 170 and name HN   ) 3.2 0.0 3.0 
assign(resid 170 and name HA   )(resid 171 and name HG+  ) 0.0 0.0 4.8 
assign(resid 170 and name HN   )(resid 169 and name HA   ) 0.0 0.0 2.7 
assign(resid 170 and name HN   )(resid 169 and name HB+  ) 0.0 0.0 3.5 
assign(resid 170 and name HN   )(resid 169 and name HD+  ) 0.0 0.0 5.8 
assign(resid 170 and name HN   )(resid 169 and name HG+  ) 0.0 0.0 4.8 
assign(resid 170 and name HN   )(resid 171 and name HN   ) 3.2 0.0 3.0 
assign(resid 171 and name HA   )(resid 172 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 171 and name HN   )(resid 170 and name HA   ) 0.0 0.0 2.7 
assign(resid 171 and name HN   )(resid 170 and name HB   ) 0.0 0.0 5.0 
assign(resid 171 and name HN   )(resid 170 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 171 and name HN   )(resid 170 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 171 and name HN   )(resid 170 and name HG2+ ) 0.0 0.0 4.0 
assign(resid 172 and name HN   )(resid 171 and name HN   ) 3.2 0.0 3.0 
assign(resid 172 and name HN   )(resid 171 and name HA   ) 0.0 0.0 2.7 
assign(resid 172 and name HN   )(resid 171 and name HB+  ) 0.0 0.0 4.0 
assign(resid 172 and name HN   )(resid 171 and name HG+  ) 0.0 0.0 4.0 
assign(resid 172 and name HN   )(resid 173 and name HN   ) 3.2 0.0 3.0 
assign(resid 173 and name HN   )(resid 172 and name HA   ) 0.0 0.0 2.7 
assign(resid 173 and name HN   )(resid 172 and name HB   ) 0.0 0.0 5.0 
assign(resid 173 and name HN   )(resid 172 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 173 and name HN   )(resid 172 and name HG2+ ) 0.0 0.0 4.0 
assign(resid 173 and name HN   )(resid 174 and name HN   ) 3.2 0.0 3.0 
assign(resid 174 and name HN   )(resid 173 and name HA   ) 0.0 0.0 2.7 
assign(resid 174 and name HN   )(resid 173 and name HB+  ) 0.0 0.0 4.8 
assign(resid 174 and name HN   )(resid 173 and name HD+  ) 0.0 0.0 4.8 
assign(resid 174 and name HN   )(resid 175 and name HN   ) 0.0 0.0 2.7 
assign(resid 175 and name HN   )(resid 174 and name HA   ) 0.0 0.0 4.0 
assign(resid 175 and name HN   )(resid 174 and name HB+  ) 0.0 0.0 4.0 
assign(resid 175 and name HN   )(resid 176 and name HD+  ) 0.0 0.0 4.8 
assign(resid 175 and name HN   )(resid 176 and name HG+  ) 0.0 0.0 5.8 
assign(resid 176 and name HA   )(resid 177 and name HB+  ) 0.0 0.0 5.8 
assign(resid 177 and name HN   )(resid 176 and name HA   ) 0.0 0.0 2.7 
assign(resid 177 and name HN   )(resid 176 and name HB1  ) 0.0 0.0 4.0 
assign(resid 177 and name HN   )(resid 176 and name HB2  ) 0.0 0.0 3.2 
assign(resid 177 and name HN   )(resid 176 and name HD+  ) 0.0 0.0 4.8 
assign(resid 177 and name HN   )(resid 178 and name HN   ) 3.2 0.0 3.0 
assign(resid 178 and name HA   )(resid 177 and name HB+  ) 0.0 0.0 5.8 
assign(resid 178 and name HN   )(resid 177 and name HA   ) 0.0 0.0 2.7 
assign(resid 178 and name HN   )(resid 179 and name HN   ) 3.2 0.0 3.0 
assign(resid 179 and name HN   )(resid 178 and name HA   ) 0.0 0.0 4.0 
assign(resid 180 and name HN   )(resid 179 and name HA   ) 0.0 0.0 3.2 
assign(resid 180 and name HN   )(resid 179 and name HB+  ) 0.0 0.0 4.0 
assign(resid 180 and name HN   )(resid 179 and name HG+  ) 0.0 0.0 4.8 
assign(resid 181 and name HN   )(resid 180 and name HA   ) 0.0 0.0 3.2 
assign(resid 182 and name HN   )(resid 181 and name HG   ) 0.0 0.0 5.0 
assign(resid 184 and name HN   )(resid 183 and name HA   ) 0.0 0.0 5.0 
!
! medium range (2-5 residues) (224)
!
assign(resid  20 and name HN   )(resid  22 and name HN   ) 0.0 0.0 5.0 
assign(resid  21 and name HN   )(resid  23 and name HN   ) 0.0 0.0 5.0 
assign(resid  22 and name HN   )(resid  20 and name HA1  ) 0.0 0.0 4.0 
assign(resid  22 and name HN   )(resid  20 and name HA2  ) 0.0 0.0 5.0 
assign(resid  27 and name HN   )(resid  30 and name HA   ) 0.0 0.0 5.0 
assign(resid  27 and name HN   )(resid  30 and name HB+  ) 0.0 0.0 5.8 
assign(resid  28 and name HN   )(resid  30 and name HN   ) 0.0 0.0 5.0 
assign(resid  29 and name HA   )(resid  32 and name HB+  ) 0.0 0.0 4.0 
assign(resid  29 and name HN   )(resid  27 and name HB+  ) 0.0 0.0 5.8 
assign(resid  29 and name HN   )(resid  31 and name HN   ) 0.0 0.0 5.0 
assign(resid  30 and name HA   )(resid  33 and name HB1  ) 0.0 0.0 4.0 
assign(resid  30 and name HN   )(resid  27 and name HA   ) 0.0 0.0 5.0 
assign(resid  30 and name HN   )(resid  33 and name HD2+ ) 0.0 0.0 5.8 
assign(resid  31 and name HN   )(resid  26 and name HB+  ) 0.0 0.0 5.8 
assign(resid  31 and name HN   )(resid  26 and name HD++ ) 0.0 0.0 6.5 
assign(resid  31 and name HN   )(resid  27 and name HA   ) 0.0 0.0 5.0 
assign(resid  31 and name HN   )(resid  28 and name HA   ) 0.0 0.0 4.0 
assign(resid  31 and name HN   )(resid  33 and name HD1+ ) 0.0 0.0 5.8 
assign(resid  31 and name HN   )(resid  33 and name HD2+ ) 0.0 0.0 5.8 
assign(resid  32 and name HN   )(resid  28 and name HA   ) 0.0 0.0 4.0 
assign(resid  32 and name HN   )(resid  29 and name HA   ) 0.0 0.0 3.2 
assign(resid  32 and name HN   )(resid  29 and name HB+  ) 0.0 0.0 5.8 
assign(resid  33 and name HN   )(resid  30 and name HA   ) 0.0 0.0 4.0 
assign(resid  34 and name HN   )(resid  31 and name HA   ) 0.0 0.0 5.0 
assign(resid  34 and name HN   )(resid  32 and name HN   ) 0.0 0.0 5.0 
assign(resid  34 and name HN   )(resid  36 and name HB+  ) 0.0 0.0 4.8 
assign(resid  35 and name HN   )(resid  31 and name HA   ) 0.0 0.0 5.0 
assign(resid  35 and name HN   )(resid  32 and name HA   ) 0.0 0.0 4.0 
assign(resid  36 and name HN   )(resid  34 and name HB+  ) 0.0 0.0 4.8 
assign(resid  36 and name HB+  )(resid  34 and name HB+  ) 0.0 0.0 5.6 
assign(resid  36 and name HN   )(resid  34 and name HN   ) 0.0 0.0 4.0 
assign(resid  36 and name HB+  )(resid  40 and name HB+  ) 0.0 0.0 6.6 
assign(resid  37 and name HN   )(resid  40 and name HB1  ) 0.0 0.0 4.0 
assign(resid  37 and name HN   )(resid  40 and name HB2  ) 0.0 0.0 3.2 
assign(resid  37 and name HN   )(resid  40 and name HN   ) 0.0 0.0 4.0 
assign(resid  37 and name HN   )(resid  40 and name HA   ) 0.0 0.0 5.0 
assign(resid  37 and name HN   )(resid  40 and name HB+  ) 0.0 0.0 4.8 
assign(resid  40 and name HN   )(resid  38 and name HA   ) 0.0 0.0 4.0 
assign(resid  40 and name HN   )(resid  36 and name HA   ) 0.0 0.0 5.0 
assign(resid  40 and name HN   )(resid  36 and name HB+  ) 0.0 0.0 5.8 
assign(resid  40 and name HN   )(resid  37 and name HB+  ) 0.0 0.0 5.8 
assign(resid  44 and name HN   )(resid  49 and name HA   ) 0.0 0.0 5.0 
assign(resid  46 and name HN   )(resid  48 and name HN   ) 0.0 0.0 4.0 
assign(resid  46 and name HN   )(resid  49 and name HA   ) 0.0 0.0 5.0 
assign(resid  48 and name HN   )(resid  45 and name HA   ) 0.0 0.0 4.0 
assign(resid  48 and name HN   )(resid  45 and name HG+  ) 0.0 0.0 5.8 
assign(resid  48 and name HN   )(resid  46 and name HB+  ) 0.0 0.0 4.0 
assign(resid  49 and name HA   )(resid  45 and name HA   ) 0.0 0.0 3.2 
assign(resid  49 and name HA   )(resid  45 and name HB+  ) 0.0 0.0 4.0 
assign(resid  50 and name HN   )(resid  45 and name HA   ) 0.0 0.0 3.2 
assign(resid  60 and name HN   )(resid  58 and name HA   ) 0.0 0.0 5.0 
assign(resid  60 and name HN   )(resid  62 and name HN   ) 0.0 0.0 5.0 
assign(resid  61 and name HN   )(resid  57 and name HB+  ) 0.0 0.0 4.8 
assign(resid  62 and name HN   )(resid  59 and name HA   ) 0.0 0.0 5.0 
assign(resid  62 and name HN   )(resid  59 and name HB+  ) 0.0 0.0 5.8 
assign(resid  64 and name HN   )(resid  61 and name HA   ) 0.0 0.0 5.0 
assign(resid  64 and name HN   )(resid  62 and name HA   ) 0.0 0.0 4.0 
assign(resid  64 and name HN   )(resid  66 and name HN   ) 0.0 0.0 5.0 
assign(resid  64 and name HN   )(resid  66 and name HG2+ ) 0.0 0.0 5.8 
assign(resid  64 and name HN   )(resid  66 and name HD1+ ) 0.0 0.0 5.8 
assign(resid  65 and name HN   )(resid  63 and name HA   ) 0.0 0.0 4.0 
assign(resid  65 and name HN   )(resid  63 and name HN   ) 0.0 0.0 5.0 
assign(resid  70 and name HN   )(resid  73 and name HB+  ) 0.0 0.0 4.8 
assign(resid  70 and name HN   )(resid  74 and name HN   ) 0.0 0.0 5.0 
assign(resid  71 and name HA   )(resid  74 and name HB+  ) 0.0 0.0 4.0 
assign(resid  72 and name HA   )(resid  75 and name HB1  ) 0.0 0.0 3.2 
assign(resid  72 and name HA   )(resid  75 and name HB2  ) 0.0 0.0 3.2 
assign(resid  72 and name HN   )(resid  70 and name HB+  ) 0.0 0.0 5.8 
assign(resid  72 and name HN   )(resid  74 and name HN   ) 0.0 0.0 5.0 
assign(resid  73 and name HA   )(resid  76 and name HB1  ) 0.0 0.0 4.0 
assign(resid  73 and name HA   )(resid  76 and name HB2  ) 0.0 0.0 3.2 
assign(resid  73 and name HN   )(resid  69 and name HD1+ ) 0.0 0.0 5.8 
assign(resid  73 and name HN   )(resid  70 and name HB+  ) 0.0 0.0 5.8 
assign(resid  73 and name HN   )(resid  75 and name HN   ) 0.0 0.0 4.0 
assign(resid  74 and name HN   )(resid  69 and name HG1+ ) 0.0 0.0 5.8 
assign(resid  74 and name HN   )(resid  69 and name HG2+ ) 0.0 0.0 5.8 
assign(resid  74 and name HN   )(resid  69 and name HD1+ ) 0.0 0.0 5.8 
assign(resid  75 and name HN   )(resid  71 and name HA   ) 0.0 0.0 4.0 
assign(resid  75 and name HN   )(resid  72 and name HA   ) 0.0 0.0 3.2 
assign(resid  75 and name HN   )(resid  72 and name HG++ ) 0.0 0.0 6.5 
assign(resid  75 and name HN   )(resid  73 and name HA   ) 0.0 0.0 5.0 
assign(resid  76 and name HN   )(resid  72 and name HA   ) 0.0 0.0 5.0 
assign(resid  76 and name HN   )(resid  73 and name HA   ) 0.0 0.0 3.2 
assign(resid  77 and name HN   )(resid  74 and name HA   ) 0.0 0.0 4.0 
assign(resid  77 and name HN   )(resid  75 and name HN   ) 0.0 0.0 5.0 
assign(resid  78 and name HN   )(resid  75 and name HA   ) 0.0 0.0 4.0 
assign(resid  78 and name HN   )(resid  76 and name HN   ) 0.0 0.0 5.0 
assign(resid  79 and name HN   )(resid  74 and name HA   ) 0.0 0.0 5.0 
assign(resid  79 and name HN   )(resid  75 and name HA   ) 0.0 0.0 5.0 
assign(resid  79 and name HN   )(resid  77 and name HN   ) 0.0 0.0 5.0 
assign(resid  80 and name HN   )(resid  83 and name HN   ) 0.0 0.0 4.0 
assign(resid  80 and name HN   )(resid  83 and name HB1  ) 0.0 0.0 4.0 
assign(resid  80 and name HN   )(resid  83 and name HB2  ) 0.0 0.0 3.2 
assign(resid  83 and name HN   )(resid  79 and name HB+  ) 0.0 0.0 5.8 
assign(resid  83 and name HN   )(resid  81 and name HA   ) 0.0 0.0 4.0 
assign(resid  97 and name HN   )(resid  95 and name HA   ) 0.0 0.0 4.0 
assign(resid  97 and name HN   )(resid  95 and name HB+  ) 0.0 0.0 4.8 
assign(resid 105 and name HN   )(resid 108 and name HG+  ) 0.0 0.0 4.8 
assign(resid 106 and name HA   )(resid 108 and name HN   ) 0.0 0.0 4.0 
assign(resid 107 and name HN   )(resid 105 and name HA   ) 0.0 0.0 5.0 
assign(resid 107 and name HN   )(resid 105 and name HB+  ) 0.0 0.0 4.0 
assign(resid 107 and name HN   )(resid 105 and name HD+  ) 0.0 0.0 5.8 
assign(resid 108 and name HN   )(resid 105 and name HA   ) 0.0 0.0 5.0 
assign(resid 108 and name HN   )(resid 104 and name HB   ) 0.0 0.0 4.8 
assign(resid 108 and name HN   )(resid 104 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 108 and name HN   )(resid 104 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 109 and name HN   )(resid 104 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 110 and name HN   )(resid 108 and name HB+  ) 0.0 0.0 4.8 
assign(resid 110 and name HN   )(resid 112 and name HD+  ) 0.0 0.0 6.5 
assign(resid 110 and name HN   )(resid 112 and name HE+  ) 0.0 0.0 6.5 
assign(resid 112 and name HN   )(resid 116 and name HB   ) 0.0 0.0 5.0 
assign(resid 112 and name HN   )(resid 116 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 112 and name HN   )(resid 116 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 113 and name HN   )(resid 111 and name HA   ) 0.0 0.0 5.0 
assign(resid 113 and name HN   )(resid 116 and name HB   ) 0.0 0.0 5.0 
assign(resid 113 and name HA1  )(resid 116 and name HB   ) 0.0 0.0 5.0 
assign(resid 113 and name HA2  )(resid 116 and name HB   ) 0.0 0.0 4.0 
assign(resid 113 and name HN   )(resid 116 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 113 and name HN   )(resid 116 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 113 and name HN   )(resid 116 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 114 and name HA   )(resid 116 and name HN   ) 0.0 0.0 4.0 
assign(resid 115 and name HA1  )(resid 118 and name HB+  ) 0.0 0.0 4.8 
assign(resid 115 and name HA2  )(resid 118 and name HB+  ) 0.0 0.0 4.0 
assign(resid 115 and name HA1  )(resid 118 and name HN   ) 0.0 0.0 5.0 
assign(resid 115 and name HA2  )(resid 118 and name HN   ) 0.0 0.0 3.2 
assign(resid 116 and name HA   )(resid 119 and name HB+  ) 0.0 0.0 4.0 
assign(resid 116 and name HB   )(resid 112 and name HB1  ) 0.0 0.0 4.0 
assign(resid 116 and name HB   )(resid 112 and name HB2  ) 0.0 0.0 5.0 
assign(resid 116 and name HN   )(resid 112 and name HB1  ) 0.0 0.0 5.0 
assign(resid 116 and name HN   )(resid 114 and name HN   ) 0.0 0.0 5.0 
assign(resid 116 and name HN   )(resid 114 and name HB+  ) 0.0 0.0 5.8 
assign(resid 116 and name HN   )(resid 118 and name HN   ) 0.0 0.0 5.0 
assign(resid 116 and name HN   )(resid 119 and name HB+  ) 0.0 0.0 4.8 
assign(resid 117 and name HA   )(resid 120 and name HB   ) 0.0 0.0 4.0 
assign(resid 117 and name HA   )(resid 120 and name HG2+ ) 0.0 0.0 4.0 
assign(resid 117 and name HA   )(resid 120 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 117 and name HN   )(resid 115 and name HA+  ) 0.0 0.0 5.8 
assign(resid 117 and name HN   )(resid 119 and name HN   ) 0.0 0.0 5.0 
assign(resid 118 and name HA   )(resid 120 and name HN   ) 0.0 0.0 5.0 
assign(resid 118 and name HA   )(resid 121 and name HB+  ) 0.0 0.0 4.0 
assign(resid 119 and name HA   )(resid 122 and name HB+  ) 0.0 0.0 4.0 
assign(resid 119 and name HN   )(resid 116 and name HA   ) 0.0 0.0 4.0 
assign(resid 119 and name HN   )(resid 115 and name HA+  ) 0.0 0.0 5.8 
assign(resid 119 and name HN   )(resid 116 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 119 and name HN   )(resid 117 and name HA   ) 0.0 0.0 5.0 
assign(resid 120 and name HA   )(resid 123 and name HB+  ) 0.0 0.0 3.5 
assign(resid 120 and name HA   )(resid 124 and name HN   ) 0.0 0.0 4.0 
assign(resid 120 and name HN   )(resid 117 and name HA   ) 0.0 0.0 4.0 
assign(resid 120 and name HN   )(resid 122 and name HN   ) 0.0 0.0 5.0 
assign(resid 121 and name HA   )(resid 124 and name HB+  ) 0.0 0.0 4.8 
assign(resid 121 and name HE21 )(resid 125 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 121 and name HE22 )(resid 125 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 122 and name HE   )(resid 119 and name HE+  ) 0.0 0.0 5.5 
assign(resid 122 and name HA   )(resid 125 and name HB   ) 0.0 0.0 4.0 
assign(resid 122 and name HA   )(resid 125 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 122 and name HA   )(resid 125 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 122 and name HA   )(resid 125 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 122 and name HN   )(resid 118 and name HA   ) 0.0 0.0 4.0 
assign(resid 122 and name HN   )(resid 118 and name HG+  ) 0.0 0.0 5.8 
assign(resid 122 and name HN   )(resid 119 and name HA   ) 0.0 0.0 4.0 
assign(resid 122 and name HN   )(resid 120 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 122 and name HN   )(resid 125 and name HB   ) 0.0 0.0 5.0 
assign(resid 122 and name HN   )(resid 125 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 123 and name HN   )(resid 119 and name HA   ) 0.0 0.0 4.0 
assign(resid 123 and name HN   )(resid 120 and name HA   ) 0.0 0.0 4.0 
assign(resid 123 and name HN   )(resid 125 and name HN   ) 0.0 0.0 5.0 
assign(resid 124 and name HN   )(resid 120 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 124 and name HN   )(resid 121 and name HA   ) 0.0 0.0 4.0 
assign(resid 124 and name HN   )(resid 122 and name HN   ) 0.0 0.0 5.0 
assign(resid 125 and name HN   )(resid 121 and name HG+  ) 0.0 0.0 5.8 
assign(resid 125 and name HN   )(resid 122 and name HA   ) 0.0 0.0 4.0 
assign(resid 125 and name HN   )(resid 123 and name HA   ) 0.0 0.0 5.0 
assign(resid 125 and name HN   )(resid 123 and name HB+  ) 0.0 0.0 5.8 
assign(resid 130 and name HD1+ )(resid 133 and name HB+  ) 0.0 0.0 6.6 
assign(resid 130 and name HD2+ )(resid 133 and name HB+  ) 0.0 0.0 6.6 
assign(resid 130 and name HN   )(resid 133 and name HB+  ) 0.0 0.0 4.8 
assign(resid 131 and name HA   )(resid 133 and name HN   ) 0.0 0.0 3.2 
assign(resid 131 and name HN   )(resid 133 and name HB+  ) 0.0 0.0 5.8 
assign(resid 133 and name HN   )(resid 130 and name HB+  ) 0.0 0.0 5.8 
assign(resid 133 and name HN   )(resid 131 and name HB+  ) 0.0 0.0 5.8 
assign(resid 133 and name HN   )(resid 131 and name HG+  ) 0.0 0.0 5.8 
assign(resid 140 and name HN   )(resid 138 and name HA   ) 0.0 0.0 5.0 
assign(resid 140 and name HN   )(resid 138 and name HB+  ) 0.0 0.0 5.8 
assign(resid 142 and name HN   )(resid 145 and name HB1  ) 0.0 0.0 5.0 
assign(resid 142 and name HN   )(resid 145 and name HB2  ) 0.0 0.0 5.0 
assign(resid 145 and name HE21 )(resid 142 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 145 and name HE22 )(resid 142 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 145 and name HE21 )(resid 142 and name HG   ) 0.0 0.0 5.0 
assign(resid 145 and name HE21 )(resid 142 and name HD2+ ) 0.0 0.0 5.8 
assign(resid 145 and name HE22 )(resid 142 and name HD2+ ) 0.0 0.0 5.8 
assign(resid 145 and name HE22 )(resid 142 and name HG   ) 0.0 0.0 5.0 
assign(resid 145 and name HE21 )(resid 148 and name HB+  ) 0.0 0.0 4.8 
assign(resid 145 and name HE22 )(resid 148 and name HB+  ) 0.0 0.0 5.8 
assign(resid 145 and name HE21 )(resid 104 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 145 and name HE22 )(resid 104 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 145 and name HN   )(resid 142 and name HN   ) 0.0 0.0 4.0 
assign(resid 145 and name HN   )(resid 143 and name HB+  ) 0.0 0.0 5.8 
assign(resid 148 and name HN   )(resid 145 and name HB+  ) 0.0 0.0 5.8 
assign(resid 154 and name HN   )(resid 152 and name HA   ) 0.0 0.0 4.0 
assign(resid 154 and name HN   )(resid 152 and name HB   ) 0.0 0.0 5.0 
assign(resid 154 and name HN   )(resid 152 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 158 and name HN   )(resid 160 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 158 and name HN   )(resid 160 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 165 and name HN   )(resid 168 and name HB   ) 0.0 0.0 4.0 
assign(resid 165 and name HN   )(resid 168 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 165 and name HN   )(resid 168 and name HN   ) 0.0 0.0 4.0 
assign(resid 167 and name HN   )(resid 165 and name HA1  ) 0.0 0.0 3.2 
assign(resid 167 and name HN   )(resid 165 and name HN   ) 0.0 0.0 5.0 
assign(resid 168 and name HN   )(resid 164 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 168 and name HN   )(resid 164 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 168 and name HN   )(resid 165 and name HA+  ) 0.0 0.0 4.8 
assign(resid 168 and name HN   )(resid 166 and name HA   ) 0.0 0.0 5.0 
assign(resid 172 and name HN   )(resid 170 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 175 and name HN   )(resid 173 and name HB+  ) 0.0 0.0 4.0 
assign(resid 175 and name HN   )(resid 173 and name HD+  ) 0.0 0.0 5.8 
assign(resid 175 and name HN   )(resid 173 and name HG+  ) 0.0 0.0 4.8 
assign(resid 177 and name HA   )(resid 180 and name HB   ) 0.0 0.0 4.0 
assign(resid 177 and name HA   )(resid 180 and name HG2+ ) 0.0 0.0 3.5 
assign(resid 178 and name HN   )(resid 176 and name HB1  ) 0.0 0.0 5.0 
assign(resid 178 and name HN   )(resid 176 and name HB2  ) 0.0 0.0 4.0 
assign(resid 178 and name HN   )(resid 176 and name HG+  ) 0.0 0.0 5.8 
assign(resid 178 and name HN   )(resid 180 and name HG++ ) 0.0 0.0 6.5 
assign(resid 180 and name HN   )(resid 177 and name HA   ) 0.0 0.0 4.0 
assign(resid 182 and name HN   )(resid 180 and name HA   ) 0.0 0.0 5.0 
!
! long-range (>5 not inter-domain) (459)
!
assign(resid   6 and name HN   )(resid  86 and name HD+  ) 0.0 0.0 5.8 
assign(resid   6 and name HN   )(resid  86 and name HE+  ) 0.0 0.0 5.8 
assign(resid   6 and name HN   )(resid  86 and name HG+  ) 0.0 0.0 5.8 
assign(resid   6 and name HN   )(resid  88 and name HA   ) 0.0 0.0 5.0 
assign(resid   6 and name HN   )(resid  88 and name HB+  ) 0.0 0.0 4.8 
assign(resid   6 and name HN   )(resid  88 and name HD+  ) 0.0 0.0 5.8 
assign(resid   6 and name HN   )(resid  88 and name HG+  ) 0.0 0.0 5.8 
assign(resid   7 and name HN   )(resid  86 and name HA   ) 0.0 0.0 4.0 
assign(resid   7 and name HN   )(resid  86 and name HG+  ) 0.0 0.0 4.0 
assign(resid   7 and name HN   )(resid  87 and name HB   ) 0.0 0.0 3.2 
assign(resid   7 and name HN   )(resid  87 and name HG++ ) 0.0 0.0 5.5 
assign(resid   7 and name HN   )(resid  87 and name HN   ) 0.0 0.0 3.2 
assign(resid   7 and name HN   )(resid  88 and name HA   ) 0.0 0.0 4.0 
assign(resid   7 and name HN   )(resid  88 and name HG+  ) 0.0 0.0 4.8 
assign(resid   7 and name HD1+ )(resid  30 and name HB+  ) 0.0 0.0 4.8 
assign(resid   7 and name HD1+ )(resid  33 and name HD1+ ) 0.0 0.0 5.5 
assign(resid   8 and name HA   )(resid  87 and name HN   ) 0.0 0.0 4.0 
assign(resid   8 and name HA   )(resid  86 and name HA   ) 0.0 0.0 4.0 
assign(resid   8 and name HD1+ )(resid  86 and name HB+  ) 0.0 0.0 5.6 
assign(resid   8 and name HD1+ )(resid  86 and name HG+  ) 0.0 0.0 5.6 
assign(resid   8 and name HD1+ )(resid  86 and name HD+  ) 0.0 0.0 5.6 
assign(resid   8 and name HD1+ )(resid  86 and name HE+  ) 0.0 0.0 4.8 
assign(resid   8 and name HD1+ )(resid  86 and name HZ+  ) 0.0 0.0 4.8 
assign(resid   9 and name HN   )(resid  85 and name HG++ ) 0.0 0.0 5.5 
assign(resid   9 and name HN   )(resid  85 and name HN   ) 0.0 0.0 3.2 
assign(resid   9 and name HN   )(resid  86 and name HA   ) 0.0 0.0 4.0 
assign(resid   9 and name HN   )(resid  87 and name HG2+ ) 0.0 0.0 5.8 
assign(resid  10 and name HA   )(resid  84 and name HA   ) 0.0 0.0 4.0 
assign(resid  10 and name HN   )(resid  66 and name HA   ) 0.0 0.0 3.2 
assign(resid  10 and name HN   )(resid  66 and name HB   ) 0.0 0.0 5.0 
assign(resid  10 and name HN   )(resid  66 and name HG2+ ) 0.0 0.0 4.8 
assign(resid  10 and name HN   )(resid  67 and name HG1+ ) 0.0 0.0 5.8 
assign(resid  11 and name HN   )(resid  83 and name HN   ) 0.0 0.0 5.0 
assign(resid  11 and name HN   )(resid  84 and name HA   ) 0.0 0.0 4.0 
assign(resid  12 and name HN   )(resid  67 and name HN   ) 0.0 0.0 3.2 
assign(resid  12 and name HN   )(resid  67 and name HG1+ ) 0.0 0.0 4.8 
assign(resid  12 and name HN   )(resid  68 and name HA   ) 0.0 0.0 3.2 
assign(resid  13 and name HN   )(resid  81 and name HG2+ ) 0.0 0.0 4.8 
assign(resid  13 and name HN   )(resid  81 and name HD1+ ) 0.0 0.0 4.8 
assign(resid  20 and name HN   )(resid  70 and name HB+  ) 0.0 0.0 5.8 
assign(resid  24 and name HG2+ )(resid  42 and name HG2+ ) 0.0 0.0 4.3 
assign(resid  24 and name HG2+ )(resid  44 and name HD1+ ) 0.0 0.0 4.8 
assign(resid  24 and name HG2+ )(resid  52 and name HA+  ) 0.0 0.0 4.8 
assign(resid  24 and name HN   )(resid  54 and name HA   ) 0.0 0.0 3.2 
assign(resid  24 and name HN   )(resid  55 and name HD+  ) 0.0 0.0 4.7 
assign(resid  24 and name HN   )(resid  55 and name HN   ) 0.0 0.0 4.0 
assign(resid  25 and name HN   )(resid  67 and name HA   ) 0.0 0.0 5.0 
assign(resid  25 and name HN   )(resid  67 and name HG2+ ) 0.0 0.0 4.8 
assign(resid  25 and name HN   )(resid  69 and name HA   ) 0.0 0.0 5.0 
assign(resid  26 and name HA   )(resid  57 and name HB+  ) 0.0 0.0 5.8 
assign(resid  26 and name HN   )(resid  54 and name HG2+ ) 0.0 0.0 5.8 
assign(resid  26 and name HN   )(resid  55 and name HB1  ) 0.0 0.0 4.0 
assign(resid  26 and name HN   )(resid  55 and name HB2  ) 0.0 0.0 5.0 
assign(resid  26 and name HN   )(resid  56 and name HA   ) 0.0 0.0 4.0 
assign(resid  26 and name HN   )(resid  57 and name HA   ) 0.0 0.0 5.0 
assign(resid  26 and name HN   )(resid  57 and name HB+  ) 0.0 0.0 4.8 
assign(resid  26 and name HN   )(resid  57 and name HN   ) 0.0 0.0 4.0 
assign(resid  27 and name HA   )(resid  63 and name HB+  ) 0.0 0.0 5.8 
assign(resid  27 and name HN   )(resid  57 and name HB+  ) 0.0 0.0 4.8 
assign(resid  28 and name HN   )(resid  57 and name HB+  ) 0.0 0.0 5.8 
assign(resid  28 and name HN   )(resid  60 and name HA   ) 0.0 0.0 4.0 
assign(resid  30 and name HA   )(resid   7 and name HD1+ ) 0.0 0.0 5.8 
assign(resid  30 and name HN   )(resid   7 and name HD1+ ) 0.0 0.0 5.8 
assign(resid  34 and name HN   )(resid   7 and name HG2+ ) 0.0 0.0 5.8 
assign(resid  36 and name HA   )(resid  89 and name HE+  ) 0.0 0.0 4.8 
assign(resid  36 and name HA   )(resid  89 and name HD+  ) 0.0 0.0 4.0 
assign(resid  36 and name HB+  )(resid  89 and name HD+  ) 0.0 0.0 4.8 
assign(resid  38 and name HN   )(resid  31 and name HD+  ) 0.0 0.0 5.8 
assign(resid  39 and name HN   )(resid  54 and name HB   ) 0.0 0.0 4.0 
assign(resid  39 and name HN   )(resid  54 and name HG1+ ) 0.0 0.0 4.8 
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assign(resid 129 and name HN   )(resid 162 and name HG2+ ) 0.0 0.0 4.0 
assign(resid 129 and name HN   )(resid 162 and name HN   ) 0.0 0.0 4.0 
assign(resid 129 and name HN   )(resid 163 and name HA   ) 0.0 0.0 4.0 
assign(resid 130 and name HD1+ )(resid 161 and name HA   ) 0.0 0.0 4.8 
assign(resid 130 and name HD2+ )(resid 161 and name HA   ) 0.0 0.0 5.8 
assign(resid 130 and name HD1+ )(resid 161 and name HB+  ) 0.0 0.0 6.6 
assign(resid 130 and name HD1+ )(resid 161 and name HD+  ) 0.0 0.0 6.6 
assign(resid 130 and name HD2+ )(resid 161 and name HD+  ) 0.0 0.0 6.6 
assign(resid 131 and name HA   )(resid 152 and name HG1+ ) 0.0 0.0 4.0 
assign(resid 131 and name HA   )(resid 153 and name HG++ ) 0.0 0.0 6.5 
assign(resid 131 and name HN   )(resid 152 and name HB   ) 0.0 0.0 5.0 
assign(resid 131 and name HN   )(resid 152 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 132 and name HA   )(resid 151 and name HD+  ) 0.0 0.0 6.5 
assign(resid 132 and name HE21 )(resid 154 and name HA   ) 0.0 0.0 5.0 
assign(resid 132 and name HE22 )(resid 153 and name HA   ) 0.0 0.0 5.0 
assign(resid 132 and name HE22 )(resid 153 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 132 and name HN   )(resid 153 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 132 and name HN   )(resid 152 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 133 and name HN   )(resid 152 and name HB   ) 0.0 0.0 3.2 
assign(resid 133 and name HN   )(resid 152 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 133 and name HN   )(resid 152 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 133 and name HN   )(resid 152 and name HN   ) 0.0 0.0 4.0 
assign(resid 133 and name HN   )(resid 155 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 134 and name HA   )(resid 151 and name HA   ) 0.0 0.0 2.7 
assign(resid 134 and name HN   )(resid 152 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 135 and name HN   )(resid 149 and name HA   ) 0.0 0.0 5.0 
assign(resid 135 and name HN   )(resid 149 and name HB+  ) 0.0 0.0 5.8 
assign(resid 135 and name HN   )(resid 149 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 135 and name HN   )(resid 150 and name HB+  ) 0.0 0.0 4.8 
assign(resid 135 and name HN   )(resid 151 and name HA   ) 0.0 0.0 4.0 
assign(resid 135 and name HN   )(resid 152 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 136 and name HA   )(resid 149 and name HA   ) 0.0 0.0 5.0 
assign(resid 137 and name HN   )(resid 149 and name HA   ) 0.0 0.0 5.0 
assign(resid 137 and name HN   )(resid 150 and name HD+  ) 0.0 0.0 6.5 
assign(resid 148 and name HN   )(resid 103 and name HA   ) 0.0 0.0 5.0 
assign(resid 149 and name HN   )(resid 103 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 150 and name HN   )(resid 134 and name HA   ) 0.0 0.0 5.0 
assign(resid 150 and name HN   )(resid 135 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 150 and name HN   )(resid 135 and name HN   ) 0.0 0.0 3.2 
assign(resid 151 and name HN   )(resid 100 and name HA   ) 0.0 0.0 5.0 
assign(resid 151 and name HN   )(resid 101 and name HB+  ) 0.0 0.0 4.8 
assign(resid 151 and name HN   )(resid 102 and name HA   ) 0.0 0.0 4.0 
assign(resid 151 and name HN   )(resid 102 and name HD+  ) 0.0 0.0 4.8 
assign(resid 151 and name HN   )(resid 103 and name HD1+ ) 0.0 0.0 5.8 
assign(resid 151 and name HN   )(resid 103 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 151 and name HN   )(resid 103 and name HN   ) 0.0 0.0 5.0 
assign(resid 152 and name HN   )(resid 132 and name HA   ) 0.0 0.0 5.0 
assign(resid 152 and name HN   )(resid 134 and name HA   ) 0.0 0.0 3.2 
assign(resid 153 and name HN   )(resid  99 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 153 and name HN   )(resid 100 and name HA   ) 0.0 0.0 4.0 
assign(resid 153 and name HN   )(resid 100 and name HD2+ ) 0.0 0.0 5.8 
assign(resid 153 and name HN   )(resid 100 and name HN   ) 0.0 0.0 5.0 
assign(resid 153 and name HN   )(resid 101 and name HN   ) 0.0 0.0 5.0 
assign(resid 154 and name HN   )(resid  98 and name HA   ) 0.0 0.0 5.0 
assign(resid 154 and name HN   )(resid  99 and name HB   ) 0.0 0.0 3.2 
assign(resid 154 and name HN   )(resid  99 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 154 and name HN   )(resid 100 and name HA   ) 0.0 0.0 5.0 
assign(resid 154 and name HN   )(resid 131 and name HA   ) 0.0 0.0 5.0 
assign(resid 154 and name HN   )(resid 131 and name HG+  ) 0.0 0.0 5.8 
assign(resid 155 and name HN   )(resid 131 and name HA   ) 0.0 0.0 5.0 
assign(resid 155 and name HN   )(resid 131 and name HB+  ) 0.0 0.0 5.8 
assign(resid 155 and name HN   )(resid 131 and name HG+  ) 0.0 0.0 4.8 
assign(resid 156 and name HB1  )(resid  96 and name HN   ) 0.0 0.0 5.0 
assign(resid 156 and name HB1  )(resid  97 and name HN   ) 0.0 0.0 3.2 
assign(resid 156 and name HB2  )(resid  96 and name HN   ) 0.0 0.0 5.0 
assign(resid 156 and name HB2  )(resid  97 and name HN   ) 0.0 0.0 3.2 
assign(resid 156 and name HN   )(resid  95 and name HB+  ) 0.0 0.0 4.8 
assign(resid 156 and name HN   )(resid  98 and name HB   ) 0.0 0.0 4.0 
assign(resid 156 and name HN   )(resid  98 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 162 and name HA   )(resid  92 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 162 and name HA   )(resid  93 and name HB1  ) 0.0 0.0 5.0 
assign(resid 162 and name HN   )(resid  92 and name HA   ) 0.0 0.0 5.0 
assign(resid 162 and name HN   )(resid 129 and name HG+  ) 0.0 0.0 5.8 
assign(resid 162 and name HN   )(resid 130 and name HA   ) 0.0 0.0 5.0 
assign(resid 163 and name HN   )(resid  92 and name HA   ) 0.0 0.0 5.0 
assign(resid 163 and name HN   )(resid  92 and name HB   ) 0.0 0.0 5.0 
assign(resid 163 and name HN   )(resid  93 and name HB+  ) 0.0 0.0 5.8 
assign(resid 163 and name HN   )(resid  94 and name HA   ) 0.0 0.0 3.2 
assign(resid 163 and name HN   )(resid  94 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 164 and name HN   )(resid 126 and name HN   ) 0.0 0.0 5.0 
assign(resid 164 and name HN   )(resid 128 and name HA   ) 0.0 0.0 4.0 
assign(resid 166 and name HA   )(resid 121 and name HE21 ) 0.0 0.0 3.2 
assign(resid 166 and name HA   )(resid 121 and name HE22 ) 0.0 0.0 3.2 
assign(resid 166 and name HA   )(resid 125 and name HD1+ ) 0.0 0.0 4.8 
assign(resid 166 and name HA   )(resid 125 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 166 and name HN   )(resid 125 and name HD1+ ) 0.0 0.0 4.0 
assign(resid 168 and name HN   )(resid 121 and name HE21 ) 0.0 0.0 3.2 
assign(resid 168 and name HN   )(resid 121 and name HE22 ) 0.0 0.0 4.0 
assign(resid 168 and name HN   )(resid 121 and name HG+  ) 0.0 0.0 5.8 
assign(resid 169 and name HA   )(resid 121 and name HE21 ) 0.0 0.0 5.0 
assign(resid 169 and name HA   )(resid 121 and name HE22 ) 0.0 0.0 5.0 
assign(resid 169 and name HN   )(resid  95 and name HB+  ) 0.0 0.0 5.8 
assign(resid 169 and name HN   )(resid  96 and name HA   ) 0.0 0.0 5.0 
assign(resid 169 and name HN   )(resid  97 and name HA   ) 0.0 0.0 3.2 
assign(resid 169 and name HN   )(resid  98 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 169 and name HN   )(resid  98 and name HN   ) 0.0 0.0 4.0 
assign(resid 170 and name HD1+ )(resid 121 and name HN   ) 0.0 0.0 4.8 
assign(resid 170 and name HD1+ )(resid 121 and name HA   ) 0.0 0.0 3.2 
assign(resid 170 and name HD1+ )(resid 121 and name HG+  ) 0.0 0.0 4.0 
assign(resid 170 and name HD1+ )(resid 121 and name HB+  ) 0.0 0.0 4.0 
assign(resid 170 and name HD1+ )(resid 124 and name HN   ) 0.0 0.0 5.8 
assign(resid 171 and name HN   )(resid  99 and name HA   ) 0.0 0.0 3.2 
assign(resid 171 and name HN   )(resid 100 and name HD2+ ) 0.0 0.0 4.8 
assign(resid 172 and name HN   )(resid 117 and name HG+  ) 0.0 0.0 4.0 
assign(resid 173 and name HN   )(resid 101 and name HA   ) 0.0 0.0 4.0 
assign(resid 173 and name HN   )(resid 101 and name HB+  ) 0.0 0.0 4.8 
assign(resid 173 and name HN   )(resid 102 and name HD1  ) 0.0 0.0 5.0 
assign(resid 173 and name HN   )(resid 102 and name HD2  ) 0.0 0.0 5.0 
assign(resid 177 and name HA   )(resid 103 and name HA   ) 0.0 0.0 4.0 
assign(resid 177 and name HN   )(resid 103 and name HA   ) 0.0 0.0 4.0 
!
! inter-domain (1-92 to 93-185) (31)
!
assign(resid  41 and name HG2+ )(resid 161 and name HG+  ) 0.0 0.0 5.6 
assign(resid  51 and name HN   )(resid 130 and name HD2+ ) 0.0 0.0 4.8 
assign(resid  51 and name HN   )(resid 130 and name HB+  ) 0.0 0.0 5.8 
assign(resid  51 and name HN   )(resid 130 and name HD1+ ) 0.0 0.0 5.8 
assign(resid  51 and name HA   )(resid 161 and name HB1  ) 0.0 0.0 5.0 
assign(resid  51 and name HB   )(resid 128 and name HB+  ) 0.0 0.0 5.8 
assign(resid  51 and name HG2+ )(resid 129 and name HA   ) 0.0 0.0 4.0 
assign(resid  51 and name HG2+ )(resid 161 and name HD+  ) 0.0 0.0 6.6 
assign(resid  51 and name HG1+ )(resid 161 and name HG+  ) 0.0 0.0 5.6 
assign(resid  51 and name HG1+ )(resid 161 and name HB+  ) 0.0 0.0 5.6 
assign(resid  51 and name HG2+ )(resid 130 and name HB+  ) 0.0 0.0 5.6 
assign(resid  51 and name HG1+ )(resid 130 and name HB+  ) 0.0 0.0 5.8 
assign(resid  51 and name HG1+ )(resid 128 and name HA   ) 0.0 0.0 5.8 
assign(resid  51 and name HG2+ )(resid 128 and name HB+  ) 0.0 0.0 5.6 
assign(resid  51 and name HG2+ )(resid 130 and name HG   ) 0.0 0.0 4.8 
assign(resid  52 and name HN   )(resid 161 and name HG+  ) 0.0 0.0 5.8 
assign(resid 130 and name HN   )(resid  51 and name HG1+ ) 0.0 0.0 5.8 
assign(resid 130 and name HN   )(resid  51 and name HG2+ ) 0.0 0.0 4.8 
assign(resid 130 and name HD2+ )(resid  49 and name HB+  ) 0.0 0.0 5.6 
assign(resid 130 and name HD2+ )(resid  43 and name HG+  ) 0.0 0.0 6.6 
assign(resid 130 and name HD1+ )(resid  50 and name HA   ) 0.0 0.0 5.8 
assign(resid 130 and name HD2+ )(resid  50 and name HA   ) 0.0 0.0 4.8 
assign(resid 130 and name HD2+ )(resid  51 and name HG1+ ) 0.0 0.0 4.8 
assign(resid 130 and name HD1+ )(resid  51 and name HG2+ ) 0.0 0.0 5.6 
assign(resid 130 and name HD2+ )(resid  51 and name HG2+ ) 0.0 0.0 5.6 
assign(resid 134 and name HN   )(resid  50 and name HG2+ ) 0.0 0.0 5.8 
assign(resid 134 and name HN   )(resid  76 and name HA   ) 0.0 0.0 5.0 
assign(resid 134 and name HN   )(resid  76 and name HB+  ) 0.0 0.0 4.8 
assign(resid 161 and name HD+  )(resid  43 and name HB+  ) 0.0 0.0 4.8 
assign(resid  76 and name HD21 )(resid 134 and name HN   ) 0.0 0.0 5.0 
assign(resid  76 and name HD22 )(resid 134 and name HN   ) 0.0 0.0 5.0 
!
! H-bond (106, two per H-bond)
!
!============================
! N-TERMINAL DOMAIN
!============================
!strand 1-5
assign(resid  10 and name HN   )(resid  65 and name O    ) 2.1 0.4 0.4 
assign(resid  10 and name N    )(resid  65 and name O    ) 3.1 0.5 0.4 
assign(resid  67 and name HN   )(resid  10 and name O    ) 2.1 0.4 0.4 
assign(resid  67 and name N    )(resid  10 and name O    ) 3.1 0.5 0.4 
assign(resid  12 and name HN   )(resid  67 and name O    ) 2.1 0.4 0.4 
assign(resid  12 and name N    )(resid  67 and name O    ) 3.1 0.5 0.4 
assign(resid  69 and name HN   )(resid  12 and name O    ) 2.1 0.4 0.4 
assign(resid  69 and name N    )(resid  12 and name O    ) 3.1 0.5 0.4 
!strand 1-6
assign(resid  89 and name HN   )(resid   5 and name O    ) 2.1 0.4 0.4 
assign(resid  89 and name N    )(resid   5 and name O    ) 3.1 0.5 0.4 
assign(resid   7 and name HN   )(resid  87 and name O    ) 2.1 0.4 0.4 
assign(resid   7 and name N    )(resid  87 and name O    ) 3.1 0.5 0.4 
assign(resid  87 and name HN   )(resid   7 and name O    ) 2.1 0.4 0.4 
assign(resid  87 and name N    )(resid   7 and name O    ) 3.1 0.5 0.4 
assign(resid   9 and name HN   )(resid  85 and name O    ) 2.1 0.4 0.4 
assign(resid   9 and name N    )(resid  85 and name O    ) 3.1 0.5 0.4 
assign(resid  85 and name HN   )(resid   9 and name O    ) 2.1 0.4 0.4 
assign(resid  85 and name N    )(resid   9 and name O    ) 3.1 0.5 0.4 
!strand 2-3
assign(resid  53 and name HN   )(resid  22 and name O    ) 2.1 0.4 0.4 
assign(resid  53 and name N    )(resid  22 and name O    ) 3.1 0.5 0.4 
assign(resid  24 and name HN   )(resid  53 and name O    ) 2.1 0.4 0.4 
assign(resid  24 and name N    )(resid  53 and name O    ) 3.1 0.5 0.4 
assign(resid  55 and name HN   )(resid  24 and name O    ) 2.1 0.4 0.4 
assign(resid  55 and name N    )(resid  24 and name O    ) 3.1 0.5 0.4 
assign(resid  26 and name HN   )(resid  55 and name O    ) 2.1 0.4 0.4 
assign(resid  26 and name N    )(resid  55 and name O    ) 3.1 0.5 0.4 
assign(resid  57 and name HN   )(resid  26 and name O    ) 2.1 0.4 0.4 
assign(resid  57 and name N    )(resid  26 and name O    ) 3.1 0.5 0.4 
!strand 3-4
assign(resid  42 and name HN   )(resid  52 and name O    ) 2.1 0.4 0.4 
assign(resid  42 and name N    )(resid  52 and name O    ) 3.1 0.5 0.4 
assign(resid  52 and name HN   )(resid  42 and name O    ) 2.1 0.4 0.4 
assign(resid  52 and name N    )(resid  42 and name O    ) 3.1 0.5 0.4 
assign(resid  44 and name HN   )(resid  50 and name O    ) 2.1 0.4 0.4 
assign(resid  44 and name N    )(resid  50 and name O    ) 3.1 0.5 0.4 
assign(resid  50 and name HN   )(resid  44 and name O    ) 2.1 0.4 0.4 
assign(resid  50 and name N    )(resid  44 and name O    ) 3.1 0.5 0.4 
!strand 3-5
assign(resid  90 and name HN   )(resid  41 and name O    ) 2.1 0.4 0.4 
assign(resid  90 and name N    )(resid  41 and name O    ) 3.1 0.5 0.4 
assign(resid  43 and name HN   )(resid  88 and name O    ) 2.1 0.4 0.4 
assign(resid  43 and name N    )(resid  88 and name O    ) 3.1 0.5 0.4 
assign(resid  88 and name HN   )(resid  43 and name O    ) 2.1 0.4 0.4 
assign(resid  88 and name N    )(resid  43 and name O    ) 3.1 0.5 0.4 
assign(resid  45 and name HN   )(resid  86 and name O    ) 2.1 0.4 0.4 
assign(resid  45 and name N    )(resid  86 and name O    ) 3.1 0.5 0.4 
assign(resid  86 and name HN   )(resid  45 and name O    ) 2.1 0.4 0.4 
assign(resid  86 and name N    )(resid  45 and name O    ) 3.1 0.5 0.4 
! B-turns
!
assign(resid  40 and name HN   )(resid  37 and name O    ) 2.1 0.4 0.4 
assign(resid  40 and name N    )(resid  37 and name O    ) 3.1 0.5 0.4 
assign(resid  83 and name HN   )(resid  80 and name O    ) 2.1 0.4 0.4 
assign(resid  83 and name N    )(resid  80 and name O    ) 3.1 0.5 0.4 
!============================
! C-TERMINAL DOMAIN
!============================
!strand 7-10
assign(resid  99 and name HN   )(resid 154 and name O    ) 2.1 0.4 0.4 
assign(resid  99 and name N    )(resid 154 and name O    ) 3.1 0.5 0.4 
assign(resid 154 and name HN   )(resid  99 and name O    ) 2.1 0.4 0.4 
assign(resid 154 and name N    )(resid  99 and name O    ) 3.1 0.5 0.4 
assign(resid 101 and name HN   )(resid 151 and name O    ) 2.1 0.4 0.4 
assign(resid 101 and name N    )(resid 151 and name O    ) 3.1 0.5 0.4 
assign(resid 151 and name HN   )(resid 101 and name O    ) 2.1 0.4 0.4 
assign(resid 151 and name N    )(resid 101 and name O    ) 3.1 0.5 0.4 
!strand 7-11a
assign(resid 163 and name HN   )(resid  93 and name O    ) 2.1 0.4 0.4 
assign(resid 163 and name N    )(resid  93 and name O    ) 3.1 0.5 0.4 
assign(resid  95 and name HN   )(resid 163 and name O    ) 2.1 0.4 0.4 
assign(resid  95 and name N    )(resid 163 and name O    ) 3.1 0.5 0.4 
!strand 7-11b
assign(resid  98 and name HN   )(resid 169 and name O    ) 2.1 0.4 0.4 
assign(resid  98 and name N    )(resid 169 and name O    ) 3.1 0.5 0.4 
assign(resid 171 and name HN   )(resid  98 and name O    ) 2.1 0.4 0.4 
assign(resid 171 and name N    )(resid  98 and name O    ) 3.1 0.5 0.4 
assign(resid 100 and name HN   )(resid 171 and name O    ) 2.1 0.4 0.4 
assign(resid 100 and name N    )(resid 171 and name O    ) 3.1 0.5 0.4 
assign(resid 173 and name HN   )(resid 100 and name O    ) 2.1 0.4 0.4 
assign(resid 173 and name N    )(resid 100 and name O    ) 3.1 0.5 0.4 
!strand 8-11a
assign(resid 164 and name HN   )(resid 127 and name O    ) 2.1 0.4 0.4 
assign(resid 164 and name N    )(resid 127 and name O    ) 3.1 0.5 0.4 
assign(resid 129 and name HN   )(resid 162 and name O    ) 2.1 0.4 0.4 
assign(resid 129 and name N    )(resid 162 and name O    ) 3.1 0.5 0.4 
assign(resid 162 and name HN   )(resid 129 and name O    ) 2.1 0.4 0.4 
assign(resid 162 and name N    )(resid 129 and name O    ) 3.1 0.5 0.4 
!strand 9-10a
assign(resid 135 and name HN   )(resid 150 and name O    ) 2.1 0.4 0.4 
assign(resid 135 and name N    )(resid 150 and name O    ) 3.1 0.5 0.4 
assign(resid 150 and name HN   )(resid 135 and name O    ) 2.1 0.4 0.4 
assign(resid 150 and name N    )(resid 135 and name O    ) 3.1 0.5 0.4 
assign(resid 152 and name HN   )(resid 133 and name O    ) 2.1 0.4 0.4 
assign(resid 152 and name N    )(resid 133 and name O    ) 3.1 0.5 0.4 
!
! HELICES
!
!helix 1
assign(resid  31 and name HN   )(resid  27 and name O    ) 2.1 0.4 0.4 
assign(resid  31 and name N    )(resid  27 and name O    ) 3.1 0.5 0.4 
assign(resid  32 and name HN   )(resid  28 and name O    ) 2.1 0.4 0.4 
assign(resid  32 and name N    )(resid  28 and name O    ) 3.1 0.5 0.4 
assign(resid  33 and name HN   )(resid  29 and name O    ) 2.1 0.4 0.4 
assign(resid  33 and name N    )(resid  29 and name O    ) 3.1 0.5 0.4 
!helix2
assign(resid  76 and name HN   )(resid  72 and name O    ) 2.1 0.4 0.4 
assign(resid  76 and name N    )(resid  72 and name O    ) 3.1 0.5 0.4 
assign(resid  75 and name HN   )(resid  71 and name O    ) 2.1 0.4 0.4 
assign(resid  75 and name N    )(resid  71 and name O    ) 3.1 0.5 0.4 
assign(resid  74 and name HN   )(resid  70 and name O    ) 2.1 0.4 0.4 
assign(resid  74 and name N    )(resid  70 and name O    ) 3.1 0.5 0.4 
! helix3 115-124 
assign(resid 119 and name HN   )(resid 115 and name O    ) 2.1 0.4 0.4 
assign(resid 119 and name N    )(resid 115 and name O    ) 3.1 0.5 0.4 
assign(resid 120 and name HN   )(resid 116 and name O    ) 2.1 0.4 0.4 
assign(resid 120 and name N    )(resid 116 and name O    ) 3.1 0.5 0.4 
assign(resid 121 and name HN   )(resid 117 and name O    ) 2.1 0.4 0.4 
assign(resid 121 and name N    )(resid 117 and name O    ) 3.1 0.5 0.4 
assign(resid 122 and name HN   )(resid 118 and name O    ) 2.1 0.4 0.4 
assign(resid 122 and name N    )(resid 118 and name O    ) 3.1 0.5 0.4 
assign(resid 123 and name HN   )(resid 119 and name O    ) 2.1 0.4 0.4 
assign(resid 123 and name N    )(resid 119 and name O    ) 3.1 0.5 0.4 
assign(resid 124 and name HN   )(resid 120 and name O    ) 2.1 0.4 0.4 
assign(resid 124 and name N    )(resid 120 and name O    ) 3.1 0.5 0.4 












  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          HT1       MET   1 142.927 -22.514  -7.304
    2   2H    MET   1          HT2       MET   1 143.468 -23.966  -8.002
    3   3H    MET   1          HT3       MET   1 144.526 -22.644  -7.856
    4    HA   MET   1           HA       MET   1 143.478 -24.393  -5.702
    5   1HB   MET   1          HB2       MET   1 146.177 -23.552  -6.800
    6   2HB   MET   1          HB1       MET   1 145.984 -24.510  -5.331
    7   1HG   MET   1          HG2       MET   1 144.775 -26.238  -6.613
    8   2HG   MET   1          HG1       MET   1 144.968 -25.282  -8.083
    9   1HE   MET   1          HE1       MET   1 148.046 -26.167  -5.214
   10   2HE   MET   1          HE2       MET   1 147.686 -27.824  -5.691
   11   3HE   MET   1          HE3       MET   1 146.385 -26.770  -5.141
   12    H    GLU   2           HN       GLU   2 145.978 -21.864  -5.843
   13    HA   GLU   2           HA       GLU   2 145.491 -20.867  -3.221
   14   1HB   GLU   2          HB2       GLU   2 147.540 -20.571  -4.621
   15   2HB   GLU   2          HB1       GLU   2 146.640 -19.457  -5.651
   16   1HG   GLU   2          HG2       GLU   2 146.234 -17.985  -3.713
   17   2HG   GLU   2          HG1       GLU   2 147.136 -19.095  -2.681
   18    H    SER   3           HN       SER   3 144.253 -19.805  -6.392
   19    HA   SER   3           HA       SER   3 142.501 -18.308  -6.928
   20   1HB   SER   3          HB2       SER   3 141.783 -19.781  -4.431
   21   2HB   SER   3          HB1       SER   3 140.737 -18.449  -4.914
   22    HG   SER   3           HG       SER   3 139.962 -19.720  -6.382
   23    H    ASN   4           HN       ASN   4 144.696 -16.918  -5.961
   24    HA   ASN   4           HA       ASN   4 143.777 -15.134  -3.778
   25   1HB   ASN   4          HB2       ASN   4 146.080 -16.088  -3.889
   26   2HB   ASN   4          HB1       ASN   4 146.340 -15.221  -5.404
   27   1HD2  ASN   4          HD21      ASN   4 144.819 -14.219  -2.282
   28   2HD2  ASN   4          HD22      ASN   4 145.796 -12.846  -2.082
   29    H    ASN   5           HN       ASN   5 142.622 -13.334  -4.313
   30    HA   ASN   5           HA       ASN   5 143.376 -11.780  -6.735
   31   1HB   ASN   5          HB2       ASN   5 141.461 -13.624  -6.975
   32   2HB   ASN   5          HB1       ASN   5 140.477 -12.354  -6.246
   33   1HD2  ASN   5          HD21      ASN   5 139.495 -12.581  -8.604
   34   2HD2  ASN   5          HD22      ASN   5 140.164 -11.555  -9.778
   35    H    GLY   6           HN       GLY   6 141.470  -9.852  -6.695
   36   1HA   GLY   6          HA2       GLY   6 141.041  -8.978  -3.902
   37   2HA   GLY   6          HA1       GLY   6 142.044  -7.934  -4.909
   38    H    ILE   7           HN       ILE   7 140.325  -6.297  -4.595
   39    HA   ILE   7           HA       ILE   7 138.149  -6.664  -6.608
   40    HB   ILE   7           HB       ILE   7 136.568  -5.685  -4.961
   41   1HG1  ILE   7          HG12      ILE   7 138.808  -6.007  -2.945
   42   2HG1  ILE   7          HG11      ILE   7 138.413  -4.462  -3.699
   43   1HG2  ILE   7          HG21      ILE   7 137.859  -7.932  -3.474
   44   2HG2  ILE   7          HG22      ILE   7 137.315  -8.243  -5.123
   45   3HG2  ILE   7          HG23      ILE   7 136.164  -7.697  -3.902
   46   1HD1  ILE   7          HD11      ILE   7 137.170  -5.652  -1.436
   47   2HD1  ILE   7          HD12      ILE   7 135.989  -5.682  -2.745
   48   3HD1  ILE   7          HD13      ILE   7 136.717  -4.155  -2.250
   49    H    ILE   8           HN       ILE   8 137.452  -4.654  -7.544
   50    HA   ILE   8           HA       ILE   8 139.425  -2.446  -7.236
   51    HB   ILE   8           HB       ILE   8 137.261  -3.101  -9.261
   52   1HG1  ILE   8          HG12      ILE   8 140.277  -3.073  -9.559
   53   2HG1  ILE   8          HG11      ILE   8 139.355  -4.529  -9.184
   54   1HG2  ILE   8          HG21      ILE   8 138.469  -0.598  -8.678
   55   2HG2  ILE   8          HG22      ILE   8 137.448  -1.005 -10.056
   56   3HG2  ILE   8          HG23      ILE   8 139.198  -1.182 -10.174
   57   1HD1  ILE   8          HD11      ILE   8 137.931  -3.755 -11.290
   58   2HD1  ILE   8          HD12      ILE   8 139.416  -4.684 -11.493
   59   3HD1  ILE   8          HD13      ILE   8 139.433  -2.935 -11.714
   60    H    LEU   9           HN       LEU   9 138.846  -0.806  -5.875
   61    HA   LEU   9           HA       LEU   9 135.962  -0.023  -5.754
   62   1HB   LEU   9          HB2       LEU   9 136.118   0.074  -3.338
   63   2HB   LEU   9          HB1       LEU   9 136.690  -1.511  -3.854
   64    HG   LEU   9           HG       LEU   9 138.623   0.766  -3.494
   65   1HD1  LEU   9          HD11      LEU   9 136.947  -0.222  -1.456
   66   2HD1  LEU   9          HD12      LEU   9 138.421   0.730  -1.248
   67   3HD1  LEU   9          HD13      LEU   9 138.500  -1.032  -1.223
   68   1HD2  LEU   9          HD21      LEU   9 138.746  -2.001  -4.209
   69   2HD2  LEU   9          HD22      LEU   9 139.531  -1.813  -2.641
   70   3HD2  LEU   9          HD23      LEU   9 140.085  -0.868  -4.023
   71    H    ARG  10           HN       ARG  10 136.144   2.078  -4.041
   72    HA   ARG  10           HA       ARG  10 137.771   3.964  -5.668
   73   1HB   ARG  10          HB2       ARG  10 135.414   4.363  -5.697
   74   2HB   ARG  10          HB1       ARG  10 135.289   4.164  -3.947
   75   1HG   ARG  10          HG2       ARG  10 136.661   6.174  -3.609
   76   2HG   ARG  10          HG1       ARG  10 136.798   6.382  -5.357
   77   1HD   ARG  10          HD2       ARG  10 134.150   6.350  -3.863
   78   2HD   ARG  10          HD1       ARG  10 135.001   7.822  -4.361
   79    HE   ARG  10           HE       ARG  10 134.612   7.247  -6.666
   80   1HH1  ARG  10          HH11      ARG  10 133.439   4.886  -4.419
   81   2HH1  ARG  10          HH12      ARG  10 132.455   4.082  -5.592
   82   1HH2  ARG  10          HH21      ARG  10 133.338   6.192  -8.192
   83   2HH2  ARG  10          HH22      ARG  10 132.399   4.815  -7.720
   84    H    VAL  11           HN       VAL  11 139.439   5.067  -4.757
   85    HA   VAL  11           HA       VAL  11 140.408   4.603  -2.103
   86    HB   VAL  11           HB       VAL  11 141.704   5.385  -4.089
   87   1HG1  VAL  11          HG11      VAL  11 139.659   7.149  -4.437
   88   2HG1  VAL  11          HG12      VAL  11 141.253   7.343  -5.161
   89   3HG1  VAL  11          HG13      VAL  11 140.858   8.188  -3.666
   90   1HG2  VAL  11          HG21      VAL  11 141.793   6.498  -1.395
   91   2HG2  VAL  11          HG22      VAL  11 142.482   7.610  -2.579
   92   3HG2  VAL  11          HG23      VAL  11 143.123   5.974  -2.428
   93    H    ALA  12           HN       ALA  12 140.016   5.707  -0.195
   94    HA   ALA  12           HA       ALA  12 138.040   7.967  -0.301
   95   1HB   ALA  12          HB1       ALA  12 137.156   5.878   0.630
   96   2HB   ALA  12          HB2       ALA  12 137.329   7.070   1.918
   97   3HB   ALA  12          HB3       ALA  12 138.520   5.779   1.745
   98    H    GLU  13           HN       GLU  13 138.373   9.673   1.257
   99    HA   GLU  13           HA       GLU  13 140.428   9.635   3.250
  100   1HB   GLU  13          HB2       GLU  13 141.868   9.572   1.248
  101   2HB   GLU  13          HB1       GLU  13 141.093  11.036   0.640
  102   1HG   GLU  13          HG2       GLU  13 141.866  12.276   2.629
  103   2HG   GLU  13          HG1       GLU  13 142.645  10.814   3.237
  104    H    ALA  14           HN       ALA  14 140.354  11.545   4.518
  105    HA   ALA  14           HA       ALA  14 138.419  13.646   3.598
  106   1HB   ALA  14          HB1       ALA  14 137.284  13.458   5.644
  107   2HB   ALA  14          HB2       ALA  14 138.670  12.727   6.453
  108   3HB   ALA  14          HB3       ALA  14 137.717  11.782   5.309
  109    H    ASN  15           HN       ASN  15 138.736  15.743   4.688
  110    HA   ASN  15           HA       ASN  15 141.370  16.716   4.746
  111   1HB   ASN  15          HB2       ASN  15 139.191  17.983   4.676
  112   2HB   ASN  15          HB1       ASN  15 139.021  17.678   6.406
  113   1HD2  ASN  15          HD21      ASN  15 139.711  19.450   7.602
  114   2HD2  ASN  15          HD22      ASN  15 141.008  20.464   7.190
  115    H    SER  16           HN       SER  16 139.575  15.033   7.257
  116    HA   SER  16           HA       SER  16 141.045  15.825   9.550
  117   1HB   SER  16          HB2       SER  16 140.057  13.851  10.526
  118   2HB   SER  16          HB1       SER  16 138.903  14.468   9.347
  119    HG   SER  16           HG       SER  16 139.520  12.112   9.339
  120    H    THR  17           HN       THR  17 142.750  14.594  10.688
  121    HA   THR  17           HA       THR  17 145.023  14.082   9.083
  122    HB   THR  17           HB       THR  17 145.956  13.225  11.212
  123    HG1  THR  17           HG1      THR  17 143.334  13.471  12.235
  124   1HG2  THR  17          HG21      THR  17 146.070  15.441  11.614
  125   2HG2  THR  17          HG22      THR  17 144.615  15.240  12.589
  126   3HG2  THR  17          HG23      THR  17 144.483  15.722  10.898
  127    H    ASP  18           HN       ASP  18 142.663  11.810  10.487
  128    HA   ASP  18           HA       ASP  18 142.522   9.423  10.235
  129   1HB   ASP  18          HB2       ASP  18 142.022   8.967   7.916
  130   2HB   ASP  18          HB1       ASP  18 141.499  10.619   8.245
  131    HA   PRO  19           HA       PRO  19 147.207   9.113   9.624
  132   1HB   PRO  19          HB2       PRO  19 147.101   7.961  12.338
  133   2HB   PRO  19          HB1       PRO  19 148.149   9.242  11.703
  134   1HG   PRO  19          HG2       PRO  19 146.133   9.713  13.436
  135   2HG   PRO  19          HG1       PRO  19 146.680  10.894  12.238
  136   1HD   PRO  19          HD2       PRO  19 144.242   9.201  12.240
  137   2HD   PRO  19          HD1       PRO  19 144.500  10.826  11.567
  138    H    GLY  20           HN       GLY  20 148.418   6.978   9.732
  139   1HA   GLY  20          HA2       GLY  20 148.427   4.572   9.898
  140   2HA   GLY  20          HA1       GLY  20 146.671   4.594   9.988
  141    H    MET  21           HN       MET  21 149.419   4.962   7.782
  142    HA   MET  21           HA       MET  21 147.645   4.878   5.410
  143   1HB   MET  21          HB2       MET  21 149.781   5.180   4.219
  144   2HB   MET  21          HB1       MET  21 149.662   6.334   5.548
  145   1HG   MET  21          HG2       MET  21 151.078   4.959   6.952
  146   2HG   MET  21          HG1       MET  21 151.077   3.662   5.757
  147   1HE   MET  21          HE1       MET  21 153.519   3.983   3.534
  148   2HE   MET  21          HE2       MET  21 152.253   4.929   2.756
  149   3HE   MET  21          HE3       MET  21 151.818   3.573   3.793
  150    H    SER  22           HN       SER  22 149.177   2.670   7.503
  151    HA   SER  22           HA       SER  22 149.424   0.572   5.402
  152   1HB   SER  22          HB2       SER  22 150.665  -0.616   7.139
  153   2HB   SER  22          HB1       SER  22 151.255   1.041   7.050
  154    HG   SER  22           HG       SER  22 150.731   0.155   9.207
  155    H    ARG  23           HN       ARG  23 147.053   1.775   7.322
  156    HA   ARG  23           HA       ARG  23 145.823  -0.904   7.867
  157   1HB   ARG  23          HB2       ARG  23 145.413   1.874   9.020
  158   2HB   ARG  23          HB1       ARG  23 144.422   0.481   9.455
  159   1HG   ARG  23          HG2       ARG  23 146.422  -0.716  10.243
  160   2HG   ARG  23          HG1       ARG  23 147.431   0.657   9.786
  161   1HD   ARG  23          HD2       ARG  23 146.283   2.094  11.404
  162   2HD   ARG  23          HD1       ARG  23 145.177   0.773  11.823
  163    HE   ARG  23           HE       ARG  23 146.938  -0.275  13.019
  164   1HH1  ARG  23          HH11      ARG  23 148.069   2.284  10.991
  165   2HH1  ARG  23          HH12      ARG  23 149.678   2.250  11.631
  166   1HH2  ARG  23          HH21      ARG  23 149.030  -0.328  13.855
  167   2HH2  ARG  23          HH22      ARG  23 150.222   0.773  13.249
  168    H    VAL  24           HN       VAL  24 144.050  -1.439   6.602
  169    HA   VAL  24           HA       VAL  24 142.774   0.763   5.010
  170    HB   VAL  24           HB       VAL  24 143.033  -2.233   4.622
  171   1HG1  VAL  24          HG11      VAL  24 142.039  -1.247   2.271
  172   2HG1  VAL  24          HG12      VAL  24 141.188  -0.242   3.444
  173   3HG1  VAL  24          HG13      VAL  24 141.048  -1.999   3.521
  174   1HG2  VAL  24          HG21      VAL  24 144.210  -1.392   2.518
  175   2HG2  VAL  24          HG22      VAL  24 145.053  -1.076   4.034
  176   3HG2  VAL  24          HG23      VAL  24 144.153   0.216   3.240
  177    H    ARG  25           HN       ARG  25 140.860   1.385   5.963
  178    HA   ARG  25           HA       ARG  25 139.384  -0.566   7.627
  179   1HB   ARG  25          HB2       ARG  25 138.597   1.291   8.650
  180   2HB   ARG  25          HB1       ARG  25 139.818   2.161   7.727
  181   1HG   ARG  25          HG2       ARG  25 138.214   2.675   5.981
  182   2HG   ARG  25          HG1       ARG  25 136.997   1.647   6.742
  183   1HD   ARG  25          HD2       ARG  25 136.483   3.927   7.373
  184   2HD   ARG  25          HD1       ARG  25 137.193   3.151   8.801
  185    HE   ARG  25           HE       ARG  25 139.311   4.239   7.237
  186   1HH1  ARG  25          HH11      ARG  25 136.604   5.195   9.155
  187   2HH1  ARG  25          HH12      ARG  25 137.322   6.689   9.656
  188   1HH2  ARG  25          HH21      ARG  25 140.259   6.183   7.886
  189   2HH2  ARG  25          HH22      ARG  25 139.389   7.248   8.939
  190    H    LEU  26           HN       LEU  26 138.007  -1.901   6.668
  191    HA   LEU  26           HA       LEU  26 136.496  -0.961   4.242
  192   1HB   LEU  26          HB2       LEU  26 138.400  -3.109   4.657
  193   2HB   LEU  26          HB1       LEU  26 136.842  -3.771   4.161
  194    HG   LEU  26           HG       LEU  26 136.789  -2.330   2.207
  195   1HD1  LEU  26          HD11      LEU  26 137.770  -0.305   2.893
  196   2HD1  LEU  26          HD12      LEU  26 138.971  -0.970   1.786
  197   3HD1  LEU  26          HD13      LEU  26 139.206  -1.108   3.528
  198   1HD2  LEU  26          HD21      LEU  26 138.033  -4.427   1.960
  199   2HD2  LEU  26          HD22      LEU  26 139.495  -3.657   2.576
  200   3HD2  LEU  26          HD23      LEU  26 138.823  -3.158   1.023
  201    H    ASP  27           HN       ASP  27 134.505  -2.516   3.910
  202    HA   ASP  27           HA       ASP  27 133.160  -2.799   6.541
  203   1HB   ASP  27          HB2       ASP  27 131.154  -2.784   5.250
  204   2HB   ASP  27          HB1       ASP  27 132.221  -1.637   4.444
  205    H    GLU  28           HN       GLU  28 131.610  -4.837   6.564
  206    HA   GLU  28           HA       GLU  28 133.236  -7.142   6.831
  207   1HB   GLU  28          HB2       GLU  28 130.253  -7.073   6.288
  208   2HB   GLU  28          HB1       GLU  28 131.137  -8.258   7.249
  209   1HG   GLU  28          HG2       GLU  28 131.832  -6.287   8.740
  210   2HG   GLU  28          HG1       GLU  28 130.579  -5.369   7.905
  211    H    SER  29           HN       SER  29 131.111  -6.103   4.187
  212    HA   SER  29           HA       SER  29 131.392  -8.506   2.629
  213   1HB   SER  29          HB2       SER  29 129.557  -6.872   2.404
  214   2HB   SER  29          HB1       SER  29 130.702  -5.647   1.865
  215    HG   SER  29           HG       SER  29 129.435  -7.103   0.285
  216    H    SER  30           HN       SER  30 133.073  -5.338   2.435
  217    HA   SER  30           HA       SER  30 134.733  -5.942   0.222
  218   1HB   SER  30          HB2       SER  30 135.054  -4.187   2.662
  219   2HB   SER  30          HB1       SER  30 136.184  -4.161   1.312
  220    HG   SER  30           HG       SER  30 134.810  -2.868   0.404
  221    H    ARG  31           HN       ARG  31 135.111  -6.501   3.685
  222    HA   ARG  31           HA       ARG  31 137.758  -7.697   3.522
  223   1HB   ARG  31          HB2       ARG  31 137.040  -6.609   5.532
  224   2HB   ARG  31          HB1       ARG  31 135.544  -7.543   5.580
  225   1HG   ARG  31          HG2       ARG  31 136.800  -9.597   5.986
  226   2HG   ARG  31          HG1       ARG  31 138.325  -8.719   5.855
  227   1HD   ARG  31          HD2       ARG  31 137.704  -9.040   8.235
  228   2HD   ARG  31          HD1       ARG  31 137.656  -7.318   7.814
  229    HE   ARG  31           HE       ARG  31 135.095  -8.232   7.231
  230   1HH1  ARG  31          HH11      ARG  31 137.209  -8.271   9.960
  231   2HH1  ARG  31          HH12      ARG  31 135.925  -8.202  11.120
  232   1HH2  ARG  31          HH21      ARG  31 133.410  -8.137   8.737
  233   2HH2  ARG  31          HH22      ARG  31 133.778  -8.125  10.429
  234    H    ARG  32           HN       ARG  32 134.439  -8.991   3.849
  235    HA   ARG  32           HA       ARG  32 135.493 -11.718   4.040
  236   1HB   ARG  32          HB2       ARG  32 133.670 -10.887   5.455
  237   2HB   ARG  32          HB1       ARG  32 132.693 -10.547   4.027
  238   1HG   ARG  32          HG2       ARG  32 132.688 -12.936   3.442
  239   2HG   ARG  32          HG1       ARG  32 133.691 -13.290   4.850
  240   1HD   ARG  32          HD2       ARG  32 131.369 -13.755   5.435
  241   2HD   ARG  32          HD1       ARG  32 131.860 -12.280   6.292
  242    HE   ARG  32           HE       ARG  32 130.908 -11.280   3.925
  243   1HH1  ARG  32          HH11      ARG  32 129.702 -13.555   6.226
  244   2HH1  ARG  32          HH12      ARG  32 128.040 -13.175   5.924
  245   1HH2  ARG  32          HH21      ARG  32 128.744 -10.775   3.524
  246   2HH2  ARG  32          HH22      ARG  32 127.498 -11.602   4.397
  247    H    LEU  33           HN       LEU  33 134.456  -9.727   1.448
  248    HA   LEU  33           HA       LEU  33 133.098 -11.590  -0.202
  249   1HB   LEU  33          HB2       LEU  33 134.145 -10.116  -2.070
  250   2HB   LEU  33          HB1       LEU  33 133.087  -9.339  -0.901
  251    HG   LEU  33           HG       LEU  33 135.185  -8.712   0.407
  252   1HD1  LEU  33          HD11      LEU  33 136.359 -10.336  -1.656
  253   2HD1  LEU  33          HD12      LEU  33 137.128  -9.611  -0.241
  254   3HD1  LEU  33          HD13      LEU  33 137.004  -8.697  -1.743
  255   1HD2  LEU  33          HD21      LEU  33 134.901  -7.684  -2.429
  256   2HD2  LEU  33          HD22      LEU  33 135.721  -6.843  -1.113
  257   3HD2  LEU  33          HD23      LEU  33 133.981  -7.118  -1.035
  258    H    LEU  34           HN       LEU  34 136.542 -11.161   0.432
  259    HA   LEU  34           HA       LEU  34 137.134 -13.472  -1.374
  260   1HB   LEU  34          HB2       LEU  34 138.616 -11.093  -0.329
  261   2HB   LEU  34          HB1       LEU  34 139.544 -12.551  -0.686
  262    HG   LEU  34           HG       LEU  34 137.666 -11.158  -2.616
  263   1HD1  LEU  34          HD11      LEU  34 139.563  -9.774  -2.494
  264   2HD1  LEU  34          HD12      LEU  34 139.951 -10.860  -3.829
  265   3HD1  LEU  34          HD13      LEU  34 140.653 -11.136  -2.235
  266   1HD2  LEU  34          HD21      LEU  34 137.635 -13.309  -3.415
  267   2HD2  LEU  34          HD22      LEU  34 139.148 -13.737  -2.617
  268   3HD2  LEU  34          HD23      LEU  34 139.174 -12.812  -4.118
  269    H    ASP  35           HN       ASP  35 138.682 -12.266   1.580
  270    HA   ASP  35           HA       ASP  35 137.939 -14.512   3.218
  271   1HB   ASP  35          HB2       ASP  35 139.527 -15.447   1.458
  272   2HB   ASP  35          HB1       ASP  35 140.783 -14.444   2.185
  273    H    ALA  36           HN       ALA  36 139.898 -11.713   2.564
  274    HA   ALA  36           HA       ALA  36 141.575 -11.077   4.496
  275   1HB   ALA  36          HB1       ALA  36 139.826  -8.944   4.748
  276   2HB   ALA  36          HB2       ALA  36 139.335  -9.679   3.219
  277   3HB   ALA  36          HB3       ALA  36 141.003  -9.150   3.451
  278    H    GLU  37           HN       GLU  37 141.723 -11.588   6.604
  279    HA   GLU  37           HA       GLU  37 139.252 -11.592   8.293
  280   1HB   GLU  37          HB2       GLU  37 140.174 -13.414   9.313
  281   2HB   GLU  37          HB1       GLU  37 141.257 -13.471   7.926
  282   1HG   GLU  37          HG2       GLU  37 142.692 -11.762   9.290
  283   2HG   GLU  37          HG1       GLU  37 141.765 -12.348  10.671
  284    H    ILE  38           HN       ILE  38 139.898 -10.842  10.662
  285    HA   ILE  38           HA       ILE  38 140.633  -8.103  10.577
  286    HB   ILE  38           HB       ILE  38 140.650 -10.193  12.772
  287   1HG1  ILE  38          HG12      ILE  38 138.463  -9.707  11.731
  288   2HG1  ILE  38          HG11      ILE  38 138.517  -9.101  13.387
  289   1HG2  ILE  38          HG21      ILE  38 140.302  -7.656  13.910
  290   2HG2  ILE  38          HG22      ILE  38 141.644  -7.461  12.782
  291   3HG2  ILE  38          HG23      ILE  38 141.729  -8.682  14.051
  292   1HD1  ILE  38          HD11      ILE  38 137.572  -7.337  12.082
  293   2HD1  ILE  38          HD12      ILE  38 138.796  -7.518  10.826
  294   3HD1  ILE  38          HD13      ILE  38 139.240  -6.859  12.401
  295    H    GLY  39           HN       GLY  39 142.619  -7.251  10.161
  296   1HA   GLY  39          HA2       GLY  39 144.913  -6.869  10.404
  297   2HA   GLY  39          HA1       GLY  39 144.924  -8.111  11.649
  298    H    ASP  40           HN       ASP  40 143.858  -8.632   8.300
  299    HA   ASP  40           HA       ASP  40 146.080 -10.578   7.909
  300   1HB   ASP  40          HB2       ASP  40 143.465  -9.893   6.611
  301   2HB   ASP  40          HB1       ASP  40 144.700 -10.683   5.630
  302    H    VAL  41           HN       VAL  41 147.022 -10.356   5.513
  303    HA   VAL  41           HA       VAL  41 148.062  -7.573   5.363
  304    HB   VAL  41           HB       VAL  41 148.903 -10.239   4.189
  305   1HG1  VAL  41          HG11      VAL  41 150.598  -7.756   4.165
  306   2HG1  VAL  41          HG12      VAL  41 149.423  -8.021   2.877
  307   3HG1  VAL  41          HG13      VAL  41 150.715  -9.190   3.146
  308   1HG2  VAL  41          HG21      VAL  41 150.858  -9.812   5.759
  309   2HG2  VAL  41          HG22      VAL  41 149.318 -10.136   6.553
  310   3HG2  VAL  41          HG23      VAL  41 149.919  -8.482   6.435
  311    H    VAL  42           HN       VAL  42 147.202  -6.225   3.855
  312    HA   VAL  42           HA       VAL  42 145.884  -7.463   1.455
  313    HB   VAL  42           HB       VAL  42 144.247  -5.778   1.643
  314   1HG1  VAL  42          HG11      VAL  42 144.618  -7.393   3.727
  315   2HG1  VAL  42          HG12      VAL  42 143.383  -6.134   3.758
  316   3HG1  VAL  42          HG13      VAL  42 144.937  -5.866   4.550
  317   1HG2  VAL  42          HG21      VAL  42 144.772  -3.843   3.380
  318   2HG2  VAL  42          HG22      VAL  42 145.367  -3.742   1.723
  319   3HG2  VAL  42          HG23      VAL  42 146.444  -4.268   3.016
  320    H    GLU  43           HN       GLU  43 146.472  -6.721  -0.566
  321    HA   GLU  43           HA       GLU  43 148.655  -4.667  -0.685
  322   1HB   GLU  43          HB2       GLU  43 149.139  -6.934  -1.547
  323   2HB   GLU  43          HB1       GLU  43 147.753  -6.819  -2.631
  324   1HG   GLU  43          HG2       GLU  43 148.782  -4.877  -3.750
  325   2HG   GLU  43          HG1       GLU  43 150.172  -4.990  -2.669
  326    H    ILE  44           HN       ILE  44 148.328  -2.806  -1.973
  327    HA   ILE  44           HA       ILE  44 145.609  -2.602  -3.259
  328    HB   ILE  44           HB       ILE  44 147.215  -0.298  -2.151
  329   1HG1  ILE  44          HG12      ILE  44 145.546  -0.674  -0.153
  330   2HG1  ILE  44          HG11      ILE  44 145.538  -2.342  -0.729
  331   1HG2  ILE  44          HG21      ILE  44 144.283  -0.805  -2.706
  332   2HG2  ILE  44          HG22      ILE  44 145.346   0.320  -3.553
  333   3HG2  ILE  44          HG23      ILE  44 144.895   0.626  -1.875
  334   1HD1  ILE  44          HD11      ILE  44 147.612  -2.733   0.073
  335   2HD1  ILE  44          HD12      ILE  44 147.433  -1.226   0.971
  336   3HD1  ILE  44          HD13      ILE  44 148.234  -1.227  -0.601
  337    H    GLU  45           HN       GLU  45 145.515  -1.587  -5.295
  338    HA   GLU  45           HA       GLU  45 148.049  -0.603  -6.496
  339   1HB   GLU  45          HB2       GLU  45 147.960  -3.077  -6.754
  340   2HB   GLU  45          HB1       GLU  45 146.419  -2.915  -7.597
  341   1HG   GLU  45          HG2       GLU  45 147.505  -1.531  -9.326
  342   2HG   GLU  45          HG1       GLU  45 149.049  -1.694  -8.488
  343    H    LYS  46           HN       LYS  46 147.044   1.433  -6.869
  344    HA   LYS  46           HA       LYS  46 144.625   1.500  -8.621
  345   1HB   LYS  46          HB2       LYS  46 144.970   2.885  -6.471
  346   2HB   LYS  46          HB1       LYS  46 146.151   3.808  -7.398
  347   1HG   LYS  46          HG2       LYS  46 143.390   3.348  -8.503
  348   2HG   LYS  46          HG1       LYS  46 143.678   4.645  -7.343
  349   1HD   LYS  46          HD2       LYS  46 145.485   5.519  -8.814
  350   2HD   LYS  46          HD1       LYS  46 145.100   4.268  -9.996
  351   1HE   LYS  46          HE2       LYS  46 142.620   5.365  -9.540
  352   2HE   LYS  46          HE1       LYS  46 143.679   6.783  -9.409
  353   1HZ   LYS  46          HZ1       LYS  46 144.770   6.084 -11.472
  354   2HZ   LYS  46          HZ2       LYS  46 143.118   6.398 -11.715
  355   3HZ   LYS  46          HZ3       LYS  46 143.676   4.797 -11.620
  356    H    VAL  47           HN       VAL  47 147.638   3.396  -8.413
  357    HA   VAL  47           HA       VAL  47 147.893   3.303 -11.387
  358    HB   VAL  47           HB       VAL  47 149.823   5.014 -10.360
  359   1HG1  VAL  47          HG11      VAL  47 148.158   5.319 -12.259
  360   2HG1  VAL  47          HG12      VAL  47 148.478   6.761 -11.296
  361   3HG1  VAL  47          HG13      VAL  47 146.996   5.840 -11.039
  362   1HG2  VAL  47          HG21      VAL  47 148.789   4.745  -8.099
  363   2HG2  VAL  47          HG22      VAL  47 147.299   5.427  -8.749
  364   3HG2  VAL  47          HG23      VAL  47 148.766   6.399  -8.696
  365    H    ARG  48           HN       ARG  48 149.509   2.624  -8.339
  366    HA   ARG  48           HA       ARG  48 151.446   0.874  -9.796
  367   1HB   ARG  48          HB2       ARG  48 151.927   3.022  -7.726
  368   2HB   ARG  48          HB1       ARG  48 153.099   1.733  -8.003
  369   1HG   ARG  48          HG2       ARG  48 153.248   2.346 -10.368
  370   2HG   ARG  48          HG1       ARG  48 152.041   3.611 -10.133
  371   1HD   ARG  48          HD2       ARG  48 153.544   4.753  -8.528
  372   2HD   ARG  48          HD1       ARG  48 154.763   3.488  -8.784
  373    HE   ARG  48           HE       ARG  48 155.257   4.482 -10.868
  374   1HH1  ARG  48          HH11      ARG  48 152.141   5.417  -9.709
  375   2HH1  ARG  48          HH12      ARG  48 151.852   6.532 -11.002
  376   1HH2  ARG  48          HH21      ARG  48 154.892   5.936 -12.556
  377   2HH2  ARG  48          HH22      ARG  48 153.408   6.827 -12.611
  378    H    LYS  49           HN       LYS  49 152.661  -0.430  -7.894
  379    HA   LYS  49           HA       LYS  49 150.477  -1.806  -6.458
  380   1HB   LYS  49          HB2       LYS  49 153.302  -2.298  -7.265
  381   2HB   LYS  49          HB1       LYS  49 152.715  -3.174  -5.850
  382   1HG   LYS  49          HG2       LYS  49 150.610  -3.566  -7.461
  383   2HG   LYS  49          HG1       LYS  49 151.858  -3.382  -8.696
  384   1HD   LYS  49          HD2       LYS  49 153.231  -5.086  -7.420
  385   2HD   LYS  49          HD1       LYS  49 151.805  -5.376  -6.422
  386   1HE   LYS  49          HE2       LYS  49 150.508  -6.013  -8.420
  387   2HE   LYS  49          HE1       LYS  49 151.923  -5.695  -9.444
  388   1HZ   LYS  49          HZ1       LYS  49 152.246  -7.426  -7.099
  389   2HZ   LYS  49          HZ2       LYS  49 153.073  -7.453  -8.583
  390   3HZ   LYS  49          HZ3       LYS  49 151.497  -8.078  -8.474
  391    H    THR  50           HN       THR  50 150.167  -1.752  -4.293
  392    HA   THR  50           HA       THR  50 152.263  -0.557  -2.531
  393    HB   THR  50           HB       THR  50 150.723   0.998  -1.604
  394    HG1  THR  50           HG1      THR  50 148.852  -0.675  -2.854
  395   1HG2  THR  50          HG21      THR  50 150.018   2.317  -3.473
  396   2HG2  THR  50          HG22      THR  50 149.944   0.902  -4.520
  397   3HG2  THR  50          HG23      THR  50 151.507   1.505  -3.960
  398    H    VAL  51           HN       VAL  51 151.726  -1.016  -0.204
  399    HA   VAL  51           HA       VAL  51 150.173  -3.568   0.068
  400    HB   VAL  51           HB       VAL  51 151.986  -3.775   2.023
  401   1HG1  VAL  51          HG11      VAL  51 153.272  -5.156   0.559
  402   2HG1  VAL  51          HG12      VAL  51 152.797  -4.213  -0.857
  403   3HG1  VAL  51          HG13      VAL  51 151.611  -5.226  -0.034
  404   1HG2  VAL  51          HG21      VAL  51 154.085  -2.735   1.483
  405   2HG2  VAL  51          HG22      VAL  51 152.868  -1.458   1.414
  406   3HG2  VAL  51          HG23      VAL  51 153.474  -2.179  -0.077
  407    H    GLY  52           HN       GLY  52 149.416  -3.923   2.360
  408   1HA   GLY  52          HA2       GLY  52 149.453  -1.904   4.339
  409   2HA   GLY  52          HA1       GLY  52 147.965  -1.692   3.405
  410    H    ARG  53           HN       ARG  53 147.097  -2.276   5.650
  411    HA   ARG  53           HA       ARG  53 146.841  -5.262   5.838
  412   1HB   ARG  53          HB2       ARG  53 147.127  -3.195   8.039
  413   2HB   ARG  53          HB1       ARG  53 146.803  -4.907   8.309
  414   1HG   ARG  53          HG2       ARG  53 148.907  -5.464   7.096
  415   2HG   ARG  53          HG1       ARG  53 149.249  -3.738   6.956
  416   1HD   ARG  53          HD2       ARG  53 148.806  -5.146   9.612
  417   2HD   ARG  53          HD1       ARG  53 150.406  -4.815   8.919
  418    HE   ARG  53           HE       ARG  53 148.885  -2.405   8.848
  419   1HH1  ARG  53          HH11      ARG  53 150.354  -4.614  11.054
  420   2HH1  ARG  53          HH12      ARG  53 150.669  -3.409  12.257
  421   1HH2  ARG  53          HH21      ARG  53 149.291  -0.820  10.410
  422   2HH2  ARG  53          HH22      ARG  53 150.068  -1.263  11.893
  423    H    VAL  54           HN       VAL  54 144.799  -5.930   6.935
  424    HA   VAL  54           HA       VAL  54 142.610  -4.291   5.879
  425    HB   VAL  54           HB       VAL  54 143.212  -6.989   6.123
  426   1HG1  VAL  54          HG11      VAL  54 142.560  -7.234   8.393
  427   2HG1  VAL  54          HG12      VAL  54 141.202  -7.838   7.447
  428   3HG1  VAL  54          HG13      VAL  54 141.123  -6.236   8.172
  429   1HG2  VAL  54          HG21      VAL  54 140.423  -5.887   5.732
  430   2HG2  VAL  54          HG22      VAL  54 141.115  -7.343   5.019
  431   3HG2  VAL  54          HG23      VAL  54 141.684  -5.755   4.507
  432    H    TYR  55           HN       TYR  55 141.096  -3.213   7.076
  433    HA   TYR  55           HA       TYR  55 141.138  -3.514  10.054
  434   1HB   TYR  55          HB2       TYR  55 141.749  -1.197   8.339
  435   2HB   TYR  55          HB1       TYR  55 140.603  -0.850   9.632
  436    HD1  TYR  55           HD1      TYR  55 143.799  -2.769   9.122
  437    HD2  TYR  55           HD2      TYR  55 141.490  -0.209  11.687
  438    HE1  TYR  55           HE1      TYR  55 145.661  -2.732  10.762
  439    HE2  TYR  55           HE2      TYR  55 143.352  -0.171  13.326
  440    HH   TYR  55           HH       TYR  55 145.531  -2.152  13.677
  441    H    ARG  56           HN       ARG  56 139.091  -2.580  11.022
  442    HA   ARG  56           HA       ARG  56 136.773  -3.270   9.314
  443   1HB   ARG  56          HB2       ARG  56 135.571  -3.180  11.464
  444   2HB   ARG  56          HB1       ARG  56 137.028  -4.160  11.615
  445   1HG   ARG  56          HG2       ARG  56 138.226  -2.284  12.631
  446   2HG   ARG  56          HG1       ARG  56 136.826  -1.237  12.403
  447   1HD   ARG  56          HD2       ARG  56 135.499  -2.553  13.947
  448   2HD   ARG  56          HD1       ARG  56 136.775  -3.779  14.064
  449    HE   ARG  56           HE       ARG  56 138.017  -2.304  15.450
  450   1HH1  ARG  56          HH11      ARG  56 135.392  -0.714  13.865
  451   2HH1  ARG  56          HH12      ARG  56 135.536   0.734  14.803
  452   1HH2  ARG  56          HH21      ARG  56 138.211  -0.424  16.678
  453   2HH2  ARG  56          HH22      ARG  56 137.129   0.899  16.394
  454    H    ALA  57           HN       ALA  57 135.546  -1.721   8.350
  455    HA   ALA  57           HA       ALA  57 136.152   1.089   8.505
  456   1HB   ALA  57          HB1       ALA  57 133.724   1.030   7.385
  457   2HB   ALA  57          HB2       ALA  57 134.053  -0.702   7.336
  458   3HB   ALA  57          HB3       ALA  57 135.138   0.424   6.521
  459    H    ARG  58           HN       ARG  58 135.187   2.697   9.793
  460    HA   ARG  58           HA       ARG  58 133.860   2.054  12.233
  461   1HB   ARG  58          HB2       ARG  58 134.460   4.417  10.577
  462   2HB   ARG  58          HB1       ARG  58 133.006   4.599  11.561
  463   1HG   ARG  58          HG2       ARG  58 135.104   3.346  13.106
  464   2HG   ARG  58          HG1       ARG  58 135.683   4.860  12.412
  465   1HD   ARG  58          HD2       ARG  58 133.179   5.595  13.267
  466   2HD   ARG  58          HD1       ARG  58 133.658   4.426  14.514
  467    HE   ARG  58           HE       ARG  58 135.323   5.951  15.204
  468   1HH1  ARG  58          HH11      ARG  58 134.264   6.580  11.980
  469   2HH1  ARG  58          HH12      ARG  58 135.222   8.012  11.806
  470   1HH2  ARG  58          HH21      ARG  58 136.579   7.816  14.990
  471   2HH2  ARG  58          HH22      ARG  58 136.532   8.711  13.508
  472    HA   PRO  59           HA       PRO  59 129.807   2.494   9.904
  473   1HB   PRO  59          HB2       PRO  59 129.838   3.337   7.304
  474   2HB   PRO  59          HB1       PRO  59 129.812   4.449   8.684
  475   1HG   PRO  59          HG2       PRO  59 131.951   3.938   6.800
  476   2HG   PRO  59          HG1       PRO  59 131.823   5.205   8.026
  477   1HD   PRO  59          HD2       PRO  59 133.303   2.696   8.129
  478   2HD   PRO  59          HD1       PRO  59 133.389   4.096   9.217
  479    H    GLU  60           HN       GLU  60 129.762   0.240   9.869
  480    HA   GLU  60           HA       GLU  60 131.157  -1.396   7.960
  481   1HB   GLU  60          HB2       GLU  60 129.918  -3.201   9.076
  482   2HB   GLU  60          HB1       GLU  60 130.491  -2.036  10.271
  483   1HG   GLU  60          HG2       GLU  60 128.280  -0.940  10.268
  484   2HG   GLU  60          HG1       GLU  60 127.704  -2.107   9.076
  485    H    ASP  61           HN       ASP  61 129.352   0.573   6.665
  486    HA   ASP  61           HA       ASP  61 127.822  -1.345   4.980
  487   1HB   ASP  61          HB2       ASP  61 126.395  -0.435   6.852
  488   2HB   ASP  61          HB1       ASP  61 126.648   1.179   6.186
  489    H    GLU  62           HN       GLU  62 129.295   1.822   5.423
  490    HA   GLU  62           HA       GLU  62 128.761   2.659   2.642
  491   1HB   GLU  62          HB2       GLU  62 130.644   3.872   4.681
  492   2HB   GLU  62          HB1       GLU  62 129.800   4.690   3.366
  493   1HG   GLU  62          HG2       GLU  62 128.471   3.405   5.765
  494   2HG   GLU  62          HG1       GLU  62 128.722   5.137   5.549
  495    H    ASN  63           HN       ASN  63 131.276   1.187   4.562
  496    HA   ASN  63           HA       ASN  63 133.377   1.488   2.542
  497   1HB   ASN  63          HB2       ASN  63 133.030   0.147   5.217
  498   2HB   ASN  63          HB1       ASN  63 134.465  -0.171   4.240
  499   1HD2  ASN  63          HD21      ASN  63 132.758   2.323   6.084
  500   2HD2  ASN  63          HD22      ASN  63 134.021   3.457   6.057
  501    H    LYS  64           HN       LYS  64 131.077   0.235   1.443
  502    HA   LYS  64           HA       LYS  64 131.766  -2.660   1.273
  503   1HB   LYS  64          HB2       LYS  64 129.585  -2.846   0.248
  504   2HB   LYS  64          HB1       LYS  64 129.410  -1.757   1.625
  505   1HG   LYS  64          HG2       LYS  64 129.659   0.186   0.106
  506   2HG   LYS  64          HG1       LYS  64 129.777  -0.917  -1.266
  507   1HD   LYS  64          HD2       LYS  64 127.518  -1.843  -0.589
  508   2HD   LYS  64          HD1       LYS  64 127.401  -0.516   0.567
  509   1HE   LYS  64          HE2       LYS  64 128.014   0.952  -1.573
  510   2HE   LYS  64          HE1       LYS  64 127.297  -0.429  -2.424
  511   1HZ   LYS  64          HZ1       LYS  64 125.361   0.552  -1.897
  512   2HZ   LYS  64          HZ2       LYS  64 126.046   1.497  -0.662
  513   3HZ   LYS  64          HZ3       LYS  64 125.614  -0.118  -0.360
  514    H    GLY  65           HN       GLY  65 132.940   0.022  -0.071
  515   1HA   GLY  65          HA2       GLY  65 134.119  -1.248  -2.282
  516   2HA   GLY  65          HA1       GLY  65 132.750  -0.319  -2.871
  517    H    ILE  66           HN       ILE  66 134.528   0.713  -0.059
  518    HA   ILE  66           HA       ILE  66 136.102   2.656  -1.670
  519    HB   ILE  66           HB       ILE  66 135.342   4.460  -0.126
  520   1HG1  ILE  66          HG12      ILE  66 133.324   2.422   0.855
  521   2HG1  ILE  66          HG11      ILE  66 134.789   2.836   1.746
  522   1HG2  ILE  66          HG21      ILE  66 133.932   3.282  -2.236
  523   2HG2  ILE  66          HG22      ILE  66 133.669   4.895  -1.573
  524   3HG2  ILE  66          HG23      ILE  66 132.719   3.533  -0.980
  525   1HD1  ILE  66          HD11      ILE  66 133.719   4.608   2.623
  526   2HD1  ILE  66          HD12      ILE  66 132.290   4.257   1.650
  527   3HD1  ILE  66          HD13      ILE  66 133.568   5.286   1.002
  528    H    VAL  67           HN       VAL  67 138.116   3.096  -0.693
  529    HA   VAL  67           HA       VAL  67 138.587   1.709   1.943
  530    HB   VAL  67           HB       VAL  67 139.699   0.562   0.128
  531   1HG1  VAL  67          HG11      VAL  67 139.591   2.345  -1.550
  532   2HG1  VAL  67          HG12      VAL  67 141.253   1.779  -1.388
  533   3HG1  VAL  67          HG13      VAL  67 140.763   3.298  -0.641
  534   1HG2  VAL  67          HG21      VAL  67 141.048   1.705   2.289
  535   2HG2  VAL  67          HG22      VAL  67 142.088   2.050   0.906
  536   3HG2  VAL  67          HG23      VAL  67 141.638   0.385   1.279
  537    H    ARG  68           HN       ARG  68 139.031   3.185   3.544
  538    HA   ARG  68           HA       ARG  68 139.860   5.928   2.812
  539   1HB   ARG  68          HB2       ARG  68 139.053   4.527   5.372
  540   2HB   ARG  68          HB1       ARG  68 139.526   6.226   5.316
  541   1HG   ARG  68          HG2       ARG  68 137.738   6.675   3.677
  542   2HG   ARG  68          HG1       ARG  68 137.260   4.978   3.732
  543   1HD   ARG  68          HD2       ARG  68 136.872   5.256   6.219
  544   2HD   ARG  68          HD1       ARG  68 137.114   6.999   5.991
  545    HE   ARG  68           HE       ARG  68 135.262   6.051   4.026
  546   1HH1  ARG  68          HH11      ARG  68 135.594   6.648   7.409
  547   2HH1  ARG  68          HH12      ARG  68 133.912   6.981   7.648
  548   1HH2  ARG  68          HH21      ARG  68 133.066   6.483   4.323
  549   2HH2  ARG  68          HH22      ARG  68 132.481   6.887   5.903
  550    H    ILE  69           HN       ILE  69 141.972   6.313   2.567
  551    HA   ILE  69           HA       ILE  69 143.911   4.930   4.401
  552    HB   ILE  69           HB       ILE  69 145.450   5.258   2.313
  553   1HG1  ILE  69          HG12      ILE  69 142.731   5.266   0.973
  554   2HG1  ILE  69          HG11      ILE  69 143.728   6.709   1.160
  555   1HG2  ILE  69          HG21      ILE  69 143.187   3.260   2.483
  556   2HG2  ILE  69          HG22      ILE  69 144.844   3.068   3.057
  557   3HG2  ILE  69          HG23      ILE  69 144.512   3.122   1.326
  558   1HD1  ILE  69          HD11      ILE  69 145.532   4.917   0.121
  559   2HD1  ILE  69          HD12      ILE  69 144.633   6.098  -0.831
  560   3HD1  ILE  69          HD13      ILE  69 144.041   4.442  -0.694
  561    H    ASP  70           HN       ASP  70 146.059   6.175   4.440
  562    HA   ASP  70           HA       ASP  70 145.524   8.990   5.083
  563   1HB   ASP  70          HB2       ASP  70 147.119   7.179   6.163
  564   2HB   ASP  70          HB1       ASP  70 148.245   7.729   4.921
  565    H    SER  71           HN       SER  71 147.052  10.683   4.148
  566    HA   SER  71           HA       SER  71 146.797  10.866   1.322
  567   1HB   SER  71          HB2       SER  71 148.637  12.230   3.311
  568   2HB   SER  71          HB1       SER  71 148.402  12.779   1.654
  569    HG   SER  71           HG       SER  71 146.850  13.867   2.634
  570    H    VAL  72           HN       VAL  72 149.549   9.829   3.337
  571    HA   VAL  72           HA       VAL  72 151.495   9.677   1.268
  572    HB   VAL  72           HB       VAL  72 151.081   8.204   3.884
  573   1HG1  VAL  72          HG11      VAL  72 152.558   6.782   2.713
  574   2HG1  VAL  72          HG12      VAL  72 153.633   7.837   3.630
  575   3HG1  VAL  72          HG13      VAL  72 153.362   8.132   1.912
  576   1HG2  VAL  72          HG21      VAL  72 153.280  10.140   3.528
  577   2HG2  VAL  72          HG22      VAL  72 152.132   9.975   4.856
  578   3HG2  VAL  72          HG23      VAL  72 151.667  10.840   3.391
  579    H    MET  73           HN       MET  73 149.244   7.196   2.525
  580    HA   MET  73           HA       MET  73 150.125   5.038   0.862
  581   1HB   MET  73          HB2       MET  73 148.266   5.449   2.842
  582   2HB   MET  73          HB1       MET  73 147.229   5.258   1.428
  583   1HG   MET  73          HG2       MET  73 149.328   3.315   2.432
  584   2HG   MET  73          HG1       MET  73 147.584   3.060   2.367
  585   1HE   MET  73          HE1       MET  73 149.209   0.579   0.174
  586   2HE   MET  73          HE2       MET  73 147.457   0.776   0.133
  587   3HE   MET  73          HE3       MET  73 148.326   1.003   1.651
  588    H    ARG  74           HN       ARG  74 147.579   7.497   0.348
  589    HA   ARG  74           HA       ARG  74 146.846   6.709  -2.314
  590   1HB   ARG  74          HB2       ARG  74 145.678   8.317  -0.733
  591   2HB   ARG  74          HB1       ARG  74 146.936   9.495  -1.116
  592   1HG   ARG  74          HG2       ARG  74 146.344   9.380  -3.498
  593   2HG   ARG  74          HG1       ARG  74 145.109   8.172  -3.144
  594   1HD   ARG  74          HD2       ARG  74 143.715   9.983  -3.004
  595   2HD   ARG  74          HD1       ARG  74 144.430  10.195  -1.395
  596    HE   ARG  74           HE       ARG  74 145.159  11.717  -3.827
  597   1HH1  ARG  74          HH11      ARG  74 145.813  10.847  -0.540
  598   2HH1  ARG  74          HH12      ARG  74 146.835  12.214  -0.255
  599   1HH2  ARG  74          HH21      ARG  74 146.488  13.490  -3.456
  600   2HH2  ARG  74          HH22      ARG  74 147.218  13.706  -1.900
  601    H    ASN  75           HN       ASN  75 149.375   8.874  -1.037
  602    HA   ASN  75           HA       ASN  75 150.333   9.768  -3.617
  603   1HB   ASN  75          HB2       ASN  75 150.657  10.860  -1.369
  604   2HB   ASN  75          HB1       ASN  75 151.782   9.563  -0.959
  605   1HD2  ASN  75          HD21      ASN  75 153.574  11.145  -0.857
  606   2HD2  ASN  75          HD22      ASN  75 154.246  11.777  -2.282
  607    H    ASN  76           HN       ASN  76 150.882   6.894  -1.688
  608    HA   ASN  76           HA       ASN  76 153.440   6.114  -2.631
  609   1HB   ASN  76          HB2       ASN  76 150.977   4.596  -1.743
  610   2HB   ASN  76          HB1       ASN  76 152.515   3.796  -2.062
  611   1HD2  ASN  76          HD21      ASN  76 153.378   6.817  -0.947
  612   2HD2  ASN  76          HD22      ASN  76 153.517   6.470   0.707
  613    H    CYS  77           HN       CYS  77 150.216   5.579  -4.061
  614    HA   CYS  77           HA       CYS  77 151.452   4.075  -6.301
  615   1HB   CYS  77          HB2       CYS  77 149.109   3.507  -6.777
  616   2HB   CYS  77          HB1       CYS  77 149.448   3.263  -5.065
  617    HG   CYS  77           HG       CYS  77 147.876   5.099  -4.477
  618    H    GLY  78           HN       GLY  78 149.678   7.086  -5.692
  619   1HA   GLY  78          HA2       GLY  78 150.303   9.046  -7.059
  620   2HA   GLY  78          HA1       GLY  78 150.430   7.962  -8.444
  621    H    ALA  79           HN       ALA  79 147.798   7.629  -6.174
  622    HA   ALA  79           HA       ALA  79 145.923   8.309  -8.387
  623   1HB   ALA  79          HB1       ALA  79 145.187   6.995  -5.786
  624   2HB   ALA  79          HB2       ALA  79 146.119   6.087  -6.977
  625   3HB   ALA  79          HB3       ALA  79 144.525   6.715  -7.397
  626    H    SER  80           HN       SER  80 143.777   9.300  -7.604
  627    HA   SER  80           HA       SER  80 144.336  11.428  -5.575
  628   1HB   SER  80          HB2       SER  80 143.181  11.310  -8.259
  629   2HB   SER  80          HB1       SER  80 142.123  12.126  -7.118
  630    HG   SER  80           HG       SER  80 144.890  12.676  -7.443
  631    H    ILE  81           HN       ILE  81 142.020  12.195  -4.673
  632    HA   ILE  81           HA       ILE  81 140.880   9.987  -3.234
  633    HB   ILE  81           HB       ILE  81 140.638  12.873  -3.453
  634   1HG1  ILE  81          HG12      ILE  81 140.384  10.677  -1.417
  635   2HG1  ILE  81          HG11      ILE  81 141.624  11.928  -1.537
  636   1HG2  ILE  81          HG21      ILE  81 138.324  12.186  -4.200
  637   2HG2  ILE  81          HG22      ILE  81 138.347  13.074  -2.677
  638   3HG2  ILE  81          HG23      ILE  81 138.148  11.321  -2.672
  639   1HD1  ILE  81          HD11      ILE  81 140.383  12.865   0.141
  640   2HD1  ILE  81          HD12      ILE  81 138.903  12.054  -0.370
  641   3HD1  ILE  81          HD13      ILE  81 139.461  13.489  -1.226
  642    H    GLY  82           HN       GLY  82 139.051   8.812  -3.637
  643   1HA   GLY  82          HA2       GLY  82 137.070   8.142  -4.655
  644   2HA   GLY  82          HA1       GLY  82 137.070   9.662  -5.536
  645    H    ASP  83           HN       ASP  83 140.043   8.395  -6.171
  646    HA   ASP  83           HA       ASP  83 139.537   7.612  -8.847
  647   1HB   ASP  83          HB2       ASP  83 141.692   7.644  -6.877
  648   2HB   ASP  83          HB1       ASP  83 141.826   6.292  -7.995
  649    H    LYS  84           HN       LYS  84 140.627   5.112  -9.225
  650    HA   LYS  84           HA       LYS  84 138.878   3.280  -7.634
  651   1HB   LYS  84          HB2       LYS  84 138.296   2.150  -9.674
  652   2HB   LYS  84          HB1       LYS  84 138.106   3.872 -10.000
  653   1HG   LYS  84          HG2       LYS  84 140.459   3.863 -10.930
  654   2HG   LYS  84          HG1       LYS  84 140.434   2.105 -10.793
  655   1HD   LYS  84          HD2       LYS  84 138.325   2.119 -12.192
  656   2HD   LYS  84          HD1       LYS  84 138.617   3.834 -12.485
  657   1HE   LYS  84          HE2       LYS  84 140.757   3.354 -13.539
  658   2HE   LYS  84          HE1       LYS  84 140.621   1.637 -13.114
  659   1HZ   LYS  84          HZ1       LYS  84 138.244   2.181 -14.300
  660   2HZ   LYS  84          HZ2       LYS  84 139.563   1.424 -15.056
  661   3HZ   LYS  84          HZ3       LYS  84 139.327   3.098 -15.228
  662    H    VAL  85           HN       VAL  85 140.257   2.017  -6.481
  663    HA   VAL  85           HA       VAL  85 142.793   1.108  -7.812
  664    HB   VAL  85           HB       VAL  85 143.898   1.373  -5.759
  665   1HG1  VAL  85          HG11      VAL  85 143.656   3.601  -5.468
  666   2HG1  VAL  85          HG12      VAL  85 141.980   3.437  -4.949
  667   3HG1  VAL  85          HG13      VAL  85 142.368   3.497  -6.668
  668   1HG2  VAL  85          HG21      VAL  85 142.388  -0.014  -4.415
  669   2HG2  VAL  85          HG22      VAL  85 141.153   1.245  -4.449
  670   3HG2  VAL  85          HG23      VAL  85 142.666   1.516  -3.582
  671    H    LYS  86           HN       LYS  86 143.460  -1.090  -7.322
  672    HA   LYS  86           HA       LYS  86 141.163  -2.884  -6.628
  673   1HB   LYS  86          HB2       LYS  86 142.350  -2.982  -8.868
  674   2HB   LYS  86          HB1       LYS  86 143.798  -3.496  -8.002
  675   1HG   LYS  86          HG2       LYS  86 142.573  -5.439  -7.099
  676   2HG   LYS  86          HG1       LYS  86 141.125  -4.928  -7.968
  677   1HD   LYS  86          HD2       LYS  86 142.329  -5.142 -10.111
  678   2HD   LYS  86          HD1       LYS  86 143.778  -5.656  -9.246
  679   1HE   LYS  86          HE2       LYS  86 142.671  -7.662  -8.446
  680   2HE   LYS  86          HE1       LYS  86 141.116  -7.116  -9.106
  681   1HZ   LYS  86          HZ1       LYS  86 142.176  -7.014 -11.310
  682   2HZ   LYS  86          HZ2       LYS  86 142.160  -8.591 -10.678
  683   3HZ   LYS  86          HZ3       LYS  86 143.592  -7.677 -10.652
  684    H    VAL  87           HN       VAL  87 141.261  -3.879  -4.657
  685    HA   VAL  87           HA       VAL  87 143.894  -3.959  -3.237
  686    HB   VAL  87           HB       VAL  87 141.021  -4.178  -2.277
  687   1HG1  VAL  87          HG11      VAL  87 143.474  -3.719  -0.577
  688   2HG1  VAL  87          HG12      VAL  87 142.905  -5.349  -0.940
  689   3HG1  VAL  87          HG13      VAL  87 141.863  -4.226  -0.066
  690   1HG2  VAL  87          HG21      VAL  87 142.942  -1.926  -1.709
  691   2HG2  VAL  87          HG22      VAL  87 141.179  -1.919  -1.640
  692   3HG2  VAL  87          HG23      VAL  87 142.000  -1.936  -3.201
  693    H    ARG  88           HN       ARG  88 144.870  -5.938  -3.215
  694    HA   ARG  88           HA       ARG  88 143.155  -8.379  -3.512
  695   1HB   ARG  88          HB2       ARG  88 146.112  -7.917  -4.036
  696   2HB   ARG  88          HB1       ARG  88 145.217  -9.392  -4.405
  697   1HG   ARG  88          HG2       ARG  88 143.665  -7.835  -5.795
  698   2HG   ARG  88          HG1       ARG  88 144.998  -6.685  -5.706
  699   1HD   ARG  88          HD2       ARG  88 145.152  -9.512  -6.814
  700   2HD   ARG  88          HD1       ARG  88 145.248  -8.007  -7.749
  701    HE   ARG  88           HE       ARG  88 147.184  -8.037  -5.593
  702   1HH1  ARG  88          HH11      ARG  88 146.453  -9.175  -8.768
  703   2HH1  ARG  88          HH12      ARG  88 148.113  -9.363  -9.225
  704   1HH2  ARG  88          HH21      ARG  88 149.356  -8.282  -6.174
  705   2HH2  ARG  88          HH22      ARG  88 149.755  -8.859  -7.758
  706    H    LYS  89           HN       LYS  89 143.187  -9.861  -1.826
  707    HA   LYS  89           HA       LYS  89 144.567  -9.076   0.641
  708   1HB   LYS  89          HB2       LYS  89 142.232  -9.985   0.500
  709   2HB   LYS  89          HB1       LYS  89 142.908 -11.525  -0.032
  710   1HG   LYS  89          HG2       LYS  89 144.407 -11.026   2.205
  711   2HG   LYS  89          HG1       LYS  89 142.850 -10.336   2.665
  712   1HD   LYS  89          HD2       LYS  89 141.717 -12.393   2.359
  713   2HD   LYS  89          HD1       LYS  89 143.048 -13.082   1.428
  714   1HE   LYS  89          HE2       LYS  89 144.476 -13.084   3.446
  715   2HE   LYS  89          HE1       LYS  89 143.141 -12.391   4.388
  716   1HZ   LYS  89          HZ1       LYS  89 141.779 -14.265   3.892
  717   2HZ   LYS  89          HZ2       LYS  89 143.258 -14.863   4.478
  718   3HZ   LYS  89          HZ3       LYS  89 142.924 -14.898   2.812
  719    H    VAL  90           HN       VAL  90 146.357 -10.070   1.502
  720    HA   VAL  90           HA       VAL  90 147.328 -12.634   0.383
  721    HB   VAL  90           HB       VAL  90 149.632 -11.420   0.172
  722   1HG1  VAL  90          HG11      VAL  90 147.588 -10.556  -1.861
  723   2HG1  VAL  90          HG12      VAL  90 147.975 -12.264  -1.653
  724   3HG1  VAL  90          HG13      VAL  90 149.237 -11.125  -2.121
  725   1HG2  VAL  90          HG21      VAL  90 147.684  -9.096   0.032
  726   2HG2  VAL  90          HG22      VAL  90 149.382  -9.019  -0.438
  727   3HG2  VAL  90          HG23      VAL  90 148.945  -9.322   1.244
  728    H    ARG  91           HN       ARG  91 149.761 -12.775   1.581
  729    HA   ARG  91           HA       ARG  91 149.240 -12.173   4.476
  730   1HB   ARG  91          HB2       ARG  91 150.039 -14.369   5.004
  731   2HB   ARG  91          HB1       ARG  91 148.908 -14.578   3.667
  732   1HG   ARG  91          HG2       ARG  91 150.798 -14.580   2.072
  733   2HG   ARG  91          HG1       ARG  91 151.925 -14.400   3.417
  734   1HD   ARG  91          HD2       ARG  91 149.952 -16.694   3.321
  735   2HD   ARG  91          HD1       ARG  91 151.551 -16.804   2.559
  736    HE   ARG  91           HE       ARG  91 151.962 -15.758   5.148
  737   1HH1  ARG  91          HH11      ARG  91 150.747 -18.610   3.628
  738   2HH1  ARG  91          HH12      ARG  91 151.225 -19.658   4.921
  739   1HH2  ARG  91          HH21      ARG  91 152.591 -17.115   6.840
  740   2HH2  ARG  91          HH22      ARG  91 152.268 -18.813   6.737
  741    H    THR  92           HN       THR  92 151.376 -12.244   5.747
  742    HA   THR  92           HA       THR  92 153.360 -10.678   4.195
  743    HB   THR  92           HB       THR  92 154.071 -10.679   6.881
  744    HG1  THR  92           HG1      THR  92 152.356 -11.053   8.013
  745   1HG2  THR  92          HG21      THR  92 152.703  -8.484   6.854
  746   2HG2  THR  92          HG22      THR  92 152.339  -8.896   5.178
  747   3HG2  THR  92          HG23      THR  92 154.011  -8.653   5.682
  748    H    GLU  93           HN       GLU  93 155.669 -11.027   4.653
  749    HA   GLU  93           HA       GLU  93 156.476 -13.662   5.729
  750   1HB   GLU  93          HB2       GLU  93 157.689 -14.205   3.636
  751   2HB   GLU  93          HB1       GLU  93 155.960 -14.029   3.329
  752   1HG   GLU  93          HG2       GLU  93 156.309 -11.726   2.555
  753   2HG   GLU  93          HG1       GLU  93 158.034 -11.858   2.901
  754    H    ILE  94           HN       ILE  94 158.996 -13.704   5.788
  755    HA   ILE  94           HA       ILE  94 159.888 -11.025   6.661
  756    HB   ILE  94           HB       ILE  94 161.173 -13.776   6.716
  757   1HG1  ILE  94          HG12      ILE  94 159.164 -13.739   8.064
  758   2HG1  ILE  94          HG11      ILE  94 160.543 -13.623   9.158
  759   1HG2  ILE  94          HG21      ILE  94 162.530 -11.460   6.921
  760   2HG2  ILE  94          HG22      ILE  94 162.945 -12.885   7.873
  761   3HG2  ILE  94          HG23      ILE  94 161.969 -11.601   8.587
  762   1HD1  ILE  94          HD11      ILE  94 160.215 -11.034   8.854
  763   2HD1  ILE  94          HD12      ILE  94 159.164 -11.918   9.961
  764   3HD1  ILE  94          HD13      ILE  94 158.588 -11.490   8.350
  765    H    ALA  95           HN       ALA  95 160.386  -9.798   4.817
  766    HA   ALA  95           HA       ALA  95 161.654 -10.692   2.431
  767   1HB   ALA  95          HB1       ALA  95 162.441  -8.025   3.346
  768   2HB   ALA  95          HB2       ALA  95 160.715  -8.324   3.558
  769   3HB   ALA  95          HB3       ALA  95 161.448  -8.482   1.961
  770    H    LYS  96           HN       LYS  96 163.807 -11.090   1.927
  771    HA   LYS  96           HA       LYS  96 165.716 -11.129   4.203
  772   1HB   LYS  96          HB2       LYS  96 166.966 -12.645   2.757
  773   2HB   LYS  96          HB1       LYS  96 165.271 -13.129   2.773
  774   1HG   LYS  96          HG2       LYS  96 164.942 -11.801   0.666
  775   2HG   LYS  96          HG1       LYS  96 166.685 -11.535   0.623
  776   1HD   LYS  96          HD2       LYS  96 166.284 -13.434  -0.771
  777   2HD   LYS  96          HD1       LYS  96 166.936 -14.075   0.738
  778   1HE   LYS  96          HE2       LYS  96 164.730 -14.702   1.513
  779   2HE   LYS  96          HE1       LYS  96 163.963 -13.869   0.146
  780   1HZ   LYS  96          HZ1       LYS  96 164.122 -16.055  -0.588
  781   2HZ   LYS  96          HZ2       LYS  96 165.649 -16.295   0.118
  782   3HZ   LYS  96          HZ3       LYS  96 165.495 -15.331  -1.272
  783    H    LYS  97           HN       LYS  97 165.234  -9.516   1.075
  784    HA   LYS  97           HA       LYS  97 167.420  -7.644   1.801
  785   1HB   LYS  97          HB2       LYS  97 168.493  -9.472   0.548
  786   2HB   LYS  97          HB1       LYS  97 167.336  -9.259  -0.768
  787   1HG   LYS  97          HG2       LYS  97 168.145  -6.974  -1.142
  788   2HG   LYS  97          HG1       LYS  97 169.268  -7.134   0.209
  789   1HD   LYS  97          HD2       LYS  97 170.528  -8.831  -0.931
  790   2HD   LYS  97          HD1       LYS  97 169.304  -8.978  -2.192
  791   1HE   LYS  97          HE2       LYS  97 170.395  -7.389  -3.381
  792   2HE   LYS  97          HE1       LYS  97 170.075  -6.229  -2.077
  793   1HZ   LYS  97          HZ1       LYS  97 172.519  -6.884  -2.671
  794   2HZ   LYS  97          HZ2       LYS  97 172.181  -8.242  -1.708
  795   3HZ   LYS  97          HZ3       LYS  97 172.057  -6.680  -1.052
  796    H    VAL  98           HN       VAL  98 166.636  -5.605   1.416
  797    HA   VAL  98           HA       VAL  98 164.840  -5.217  -0.964
  798    HB   VAL  98           HB       VAL  98 163.692  -5.434   1.320
  799   1HG1  VAL  98          HG11      VAL  98 164.911  -2.679   1.675
  800   2HG1  VAL  98          HG12      VAL  98 165.425  -4.122   2.549
  801   3HG1  VAL  98          HG13      VAL  98 163.798  -3.482   2.782
  802   1HG2  VAL  98          HG21      VAL  98 162.756  -2.844   0.656
  803   2HG2  VAL  98          HG22      VAL  98 162.092  -4.392   0.130
  804   3HG2  VAL  98          HG23      VAL  98 163.309  -3.576  -0.851
  805    H    THR  99           HN       THR  99 165.217  -3.302  -2.086
  806    HA   THR  99           HA       THR  99 167.440  -1.563  -1.060
  807    HB   THR  99           HB       THR  99 166.598  -2.292  -3.883
  808    HG1  THR  99           HG1      THR  99 167.999  -3.847  -3.732
  809   1HG2  THR  99          HG21      THR  99 167.627  -0.073  -3.757
  810   2HG2  THR  99          HG22      THR  99 168.735  -1.214  -4.520
  811   3HG2  THR  99          HG23      THR  99 168.978  -0.737  -2.839
  812    H    LEU 100           HN       LEU 100 167.106   0.685  -1.139
  813    HA   LEU 100           HA       LEU 100 164.550   1.649  -2.368
  814   1HB   LEU 100          HB2       LEU 100 164.478   3.078  -0.149
  815   2HB   LEU 100          HB1       LEU 100 163.890   1.417  -0.140
  816    HG   LEU 100           HG       LEU 100 166.793   1.837   0.401
  817   1HD1  LEU 100          HD11      LEU 100 164.752   3.210   1.875
  818   2HD1  LEU 100          HD12      LEU 100 166.484   3.151   2.201
  819   3HD1  LEU 100          HD13      LEU 100 165.414   1.933   2.894
  820   1HD2  LEU 100          HD21      LEU 100 164.968   0.134   2.037
  821   2HD2  LEU 100          HD22      LEU 100 166.595  -0.207   1.450
  822   3HD2  LEU 100          HD23      LEU 100 165.218  -0.341   0.357
  823    H    ALA 101           HN       ALA 101 164.519   4.121  -2.391
  824    HA   ALA 101           HA       ALA 101 167.277   5.274  -2.658
  825   1HB   ALA 101          HB1       ALA 101 166.151   4.247  -4.775
  826   2HB   ALA 101          HB2       ALA 101 166.869   5.852  -4.902
  827   3HB   ALA 101          HB3       ALA 101 165.122   5.678  -4.725
  828    HA   PRO 102           HA       PRO 102 164.710   8.236  -0.320
  829   1HB   PRO 102          HB2       PRO 102 167.362   9.475   0.103
  830   2HB   PRO 102          HB1       PRO 102 166.166   8.948   1.301
  831   1HG   PRO 102          HG2       PRO 102 168.477   7.631   0.870
  832   2HG   PRO 102          HG1       PRO 102 166.990   6.826   1.390
  833   1HD   PRO 102          HD2       PRO 102 168.289   6.845  -1.278
  834   2HD   PRO 102          HD1       PRO 102 167.314   5.581  -0.496
  835    H    ILE 103           HN       ILE 103 163.768   9.914  -1.429
  836    HA   ILE 103           HA       ILE 103 165.173  11.058  -3.774
  837    HB   ILE 103           HB       ILE 103 162.376  11.333  -2.637
  838   1HG1  ILE 103          HG12      ILE 103 163.283   9.861  -5.119
  839   2HG1  ILE 103          HG11      ILE 103 163.204   9.073  -3.543
  840   1HG2  ILE 103          HG21      ILE 103 163.731  12.948  -4.538
  841   2HG2  ILE 103          HG22      ILE 103 162.011  12.962  -4.147
  842   3HG2  ILE 103          HG23      ILE 103 162.612  11.928  -5.443
  843   1HD1  ILE 103          HD11      ILE 103 160.922   9.061  -3.514
  844   2HD1  ILE 103          HD12      ILE 103 161.112   9.154  -5.265
  845   3HD1  ILE 103          HD13      ILE 103 160.799  10.618  -4.333
  846    H    ILE 104           HN       ILE 104 166.594  12.678  -3.194
  847    HA   ILE 104           HA       ILE 104 165.380  15.119  -2.073
  848    HB   ILE 104           HB       ILE 104 167.389  15.314  -0.480
  849   1HG1  ILE 104          HG12      ILE 104 167.578  12.414  -1.322
  850   2HG1  ILE 104          HG11      ILE 104 168.853  13.636  -1.314
  851   1HG2  ILE 104          HG21      ILE 104 165.576  12.997   0.160
  852   2HG2  ILE 104          HG22      ILE 104 164.966  14.649   0.052
  853   3HG2  ILE 104          HG23      ILE 104 166.201  14.242   1.242
  854   1HD1  ILE 104          HD11      ILE 104 169.286  12.352   0.621
  855   2HD1  ILE 104          HD12      ILE 104 167.576  12.252   1.042
  856   3HD1  ILE 104          HD13      ILE 104 168.444  13.778   1.228
  857    H    ARG 105           HN       ARG 105 167.431  16.776  -1.923
  858    HA   ARG 105           HA       ARG 105 169.154  16.392  -4.341
  859   1HB   ARG 105          HB2       ARG 105 167.270  18.688  -3.716
  860   2HB   ARG 105          HB1       ARG 105 168.499  18.758  -4.979
  861   1HG   ARG 105          HG2       ARG 105 167.500  16.839  -6.111
  862   2HG   ARG 105          HG1       ARG 105 166.303  16.676  -4.825
  863   1HD   ARG 105          HD2       ARG 105 165.341  17.888  -6.759
  864   2HD   ARG 105          HD1       ARG 105 165.464  18.968  -5.356
  865    HE   ARG 105           HE       ARG 105 167.873  18.989  -6.994
  866   1HH1  ARG 105          HH11      ARG 105 164.680  20.224  -6.559
  867   2HH1  ARG 105          HH12      ARG 105 164.993  21.699  -7.410
  868   1HH2  ARG 105          HH21      ARG 105 168.296  20.911  -8.108
  869   2HH2  ARG 105          HH22      ARG 105 167.038  22.088  -8.286
  870    H    LYS 106           HN       LYS 106 169.664  19.451  -3.863
  871    HA   LYS 106           HA       LYS 106 172.003  19.262  -2.233
  872   1HB   LYS 106          HB2       LYS 106 170.198  21.608  -2.905
  873   2HB   LYS 106          HB1       LYS 106 171.857  21.740  -2.318
  874   1HG   LYS 106          HG2       LYS 106 171.095  20.253  -4.843
  875   2HG   LYS 106          HG1       LYS 106 171.622  21.936  -4.827
  876   1HD   LYS 106          HD2       LYS 106 173.791  21.363  -4.538
  877   2HD   LYS 106          HD1       LYS 106 173.393  20.172  -3.298
  878   1HE   LYS 106          HE2       LYS 106 172.527  18.702  -5.243
  879   2HE   LYS 106          HE1       LYS 106 173.435  19.806  -6.297
  880   1HZ   LYS 106          HZ1       LYS 106 174.647  17.778  -5.270
  881   2HZ   LYS 106          HZ2       LYS 106 174.691  18.727  -3.861
  882   3HZ   LYS 106          HZ3       LYS 106 175.426  19.285  -5.287
  883    H    ASP 107           HN       ASP 107 168.720  19.286  -1.466
  884    HA   ASP 107           HA       ASP 107 169.137  20.284   1.304
  885   1HB   ASP 107          HB2       ASP 107 166.658  20.290   1.315
  886   2HB   ASP 107          HB1       ASP 107 167.285  21.172  -0.077
  887    H    GLN 108           HN       GLN 108 170.106  17.619   0.260
  888    HA   GLN 108           HA       GLN 108 168.324  15.617   1.415
  889   1HB   GLN 108          HB2       GLN 108 170.244  14.118   0.764
  890   2HB   GLN 108          HB1       GLN 108 169.659  15.124  -0.558
  891   1HG   GLN 108          HG2       GLN 108 171.495  16.725  -0.155
  892   2HG   GLN 108          HG1       GLN 108 172.071  15.732   1.182
  893   1HE2  GLN 108          HE21      GLN 108 174.034  14.928   0.323
  894   2HE2  GLN 108          HE22      GLN 108 174.136  14.035  -1.117
  895    H    ARG 109           HN       ARG 109 168.185  15.572   3.602
  896    HA   ARG 109           HA       ARG 109 170.666  15.944   5.236
  897   1HB   ARG 109          HB2       ARG 109 169.057  17.586   5.787
  898   2HB   ARG 109          HB1       ARG 109 167.717  16.449   5.632
  899   1HG   ARG 109          HG2       ARG 109 168.487  15.243   7.628
  900   2HG   ARG 109          HG1       ARG 109 169.851  16.352   7.784
  901   1HD   ARG 109          HD2       ARG 109 168.328  18.240   8.141
  902   2HD   ARG 109          HD1       ARG 109 166.926  17.181   7.892
  903    HE   ARG 109           HE       ARG 109 167.283  16.281  10.052
  904   1HH1  ARG 109          HH11      ARG 109 170.039  18.007   8.892
  905   2HH1  ARG 109          HH12      ARG 109 170.896  17.905  10.394
  906   1HH2  ARG 109          HH21      ARG 109 168.390  16.142  12.014
  907   2HH2  ARG 109          HH22      ARG 109 169.964  16.850  12.159
  908    H    LEU 110           HN       LEU 110 168.333  13.647   4.226
  909    HA   LEU 110           HA       LEU 110 168.756  11.915   6.611
  910   1HB   LEU 110          HB2       LEU 110 166.895  10.639   5.618
  911   2HB   LEU 110          HB1       LEU 110 166.480  12.351   5.710
  912    HG   LEU 110           HG       LEU 110 167.828  11.898   3.230
  913   1HD1  LEU 110          HD11      LEU 110 166.040   9.722   4.100
  914   2HD1  LEU 110          HD12      LEU 110 167.240   9.743   2.808
  915   3HD1  LEU 110          HD13      LEU 110 165.631  10.406   2.526
  916   1HD2  LEU 110          HD21      LEU 110 166.324  13.660   3.224
  917   2HD2  LEU 110          HD22      LEU 110 165.146  12.793   4.209
  918   3HD2  LEU 110          HD23      LEU 110 165.313  12.412   2.495
  919    H    LYS 111           HN       LYS 111 171.095  12.144   5.239
  920    HA   LYS 111           HA       LYS 111 171.370   9.422   4.052
  921   1HB   LYS 111          HB2       LYS 111 172.613  10.312   2.186
  922   2HB   LYS 111          HB1       LYS 111 171.127  11.256   2.303
  923   1HG   LYS 111          HG2       LYS 111 172.550  13.037   2.236
  924   2HG   LYS 111          HG1       LYS 111 172.756  12.685   3.953
  925   1HD   LYS 111          HD2       LYS 111 174.675  11.193   3.373
  926   2HD   LYS 111          HD1       LYS 111 174.508  11.689   1.688
  927   1HE   LYS 111          HE2       LYS 111 174.563  14.118   3.023
  928   2HE   LYS 111          HE1       LYS 111 175.733  13.136   3.928
  929   1HZ   LYS 111          HZ1       LYS 111 176.487  12.373   1.614
  930   2HZ   LYS 111          HZ2       LYS 111 176.972  13.913   2.141
  931   3HZ   LYS 111          HZ3       LYS 111 175.688  13.754   1.040
  932    H    PHE 112           HN       PHE 112 173.174   8.392   4.869
  933    HA   PHE 112           HA       PHE 112 175.310  10.039   6.159
  934   1HB   PHE 112          HB2       PHE 112 173.358   8.120   7.347
  935   2HB   PHE 112          HB1       PHE 112 175.003   8.084   7.978
  936    HD1  PHE 112           HD1      PHE 112 175.743   9.722   9.507
  937    HD2  PHE 112           HD2      PHE 112 172.160  10.400   7.231
  938    HE1  PHE 112           HE1      PHE 112 175.278  11.757  10.846
  939    HE2  PHE 112           HE2      PHE 112 171.696  12.435   8.573
  940    HZ   PHE 112           HZ       PHE 112 173.254  13.113  10.380
  941    H    GLY 113           HN       GLY 113 174.232   6.812   5.111
  942   1HA   GLY 113          HA2       GLY 113 175.483   5.111   4.042
  943   2HA   GLY 113          HA1       GLY 113 176.872   6.197   4.019
  944    H    GLU 114           HN       GLU 114 177.748   3.874   4.697
  945    HA   GLU 114           HA       GLU 114 178.580   2.465   6.456
  946   1HB   GLU 114          HB2       GLU 114 178.795   5.334   7.419
  947   2HB   GLU 114          HB1       GLU 114 179.605   3.987   8.220
  948   1HG   GLU 114          HG2       GLU 114 179.941   4.612   5.276
  949   2HG   GLU 114          HG1       GLU 114 181.031   5.215   6.525
  950    H    GLY 115           HN       GLY 115 176.704   1.321   7.179
  951   1HA   GLY 115          HA2       GLY 115 175.426   0.589   9.035
  952   2HA   GLY 115          HA1       GLY 115 175.817   2.093   9.865
  953    H    ILE 116           HN       ILE 116 174.859   3.179   6.977
  954    HA   ILE 116           HA       ILE 116 172.290   4.130   7.783
  955    HB   ILE 116           HB       ILE 116 173.847   5.013   5.993
  956   1HG1  ILE 116          HG12      ILE 116 171.967   5.570   4.400
  957   2HG1  ILE 116          HG11      ILE 116 170.955   4.432   5.290
  958   1HG2  ILE 116          HG21      ILE 116 173.868   3.975   3.827
  959   2HG2  ILE 116          HG22      ILE 116 172.604   2.837   4.293
  960   3HG2  ILE 116          HG23      ILE 116 174.215   2.703   4.998
  961   1HD1  ILE 116          HD11      ILE 116 172.361   6.329   7.032
  962   2HD1  ILE 116          HD12      ILE 116 170.657   5.873   7.009
  963   3HD1  ILE 116          HD13      ILE 116 171.253   7.111   5.903
  964    H    GLU 117           HN       GLU 117 173.288   1.234   5.975
  965    HA   GLU 117           HA       GLU 117 170.711   0.358   5.108
  966   1HB   GLU 117          HB2       GLU 117 173.266  -1.066   5.915
  967   2HB   GLU 117          HB1       GLU 117 171.901  -1.895   5.164
  968   1HG   GLU 117          HG2       GLU 117 172.068  -0.521   3.183
  969   2HG   GLU 117          HG1       GLU 117 173.283   0.508   3.943
  970    H    GLU 118           HN       GLU 118 172.485  -0.154   8.153
  971    HA   GLU 118           HA       GLU 118 170.397  -1.718   9.449
  972   1HB   GLU 118          HB2       GLU 118 172.807  -0.120  10.331
  973   2HB   GLU 118          HB1       GLU 118 171.742  -0.909  11.497
  974   1HG   GLU 118          HG2       GLU 118 172.105  -3.070  10.377
  975   2HG   GLU 118          HG1       GLU 118 173.173  -2.289   9.210
  976    H    TYR 119           HN       TYR 119 171.250   1.733   9.270
  977    HA   TYR 119           HA       TYR 119 169.364   2.708  11.172
  978   1HB   TYR 119          HB2       TYR 119 171.222   3.997  10.161
  979   2HB   TYR 119          HB1       TYR 119 170.416   3.928   8.594
  980    HD1  TYR 119           HD1      TYR 119 168.160   4.125  11.388
  981    HD2  TYR 119           HD2      TYR 119 170.572   6.499   8.741
  982    HE1  TYR 119           HE1      TYR 119 166.837   6.134  11.986
  983    HE2  TYR 119           HE2      TYR 119 169.246   8.509   9.336
  984    HH   TYR 119           HH       TYR 119 167.036   9.055  10.223
  985    H    VAL 120           HN       VAL 120 169.063   1.987   7.697
  986    HA   VAL 120           HA       VAL 120 166.286   2.789   7.436
  987    HB   VAL 120           HB       VAL 120 168.111   0.873   5.955
  988   1HG1  VAL 120          HG11      VAL 120 165.491   1.954   4.923
  989   2HG1  VAL 120          HG12      VAL 120 165.571   0.426   5.801
  990   3HG1  VAL 120          HG13      VAL 120 166.455   0.621   4.287
  991   1HG2  VAL 120          HG21      VAL 120 167.110   3.298   4.638
  992   2HG2  VAL 120          HG22      VAL 120 168.754   2.671   4.740
  993   3HG2  VAL 120          HG23      VAL 120 168.094   3.632   6.063
  994    H    GLN 121           HN       GLN 121 167.920  -0.336   8.031
  995    HA   GLN 121           HA       GLN 121 165.601  -1.981   8.175
  996   1HB   GLN 121          HB2       GLN 121 168.442  -2.025   8.900
  997   2HB   GLN 121          HB1       GLN 121 167.451  -3.018   9.968
  998   1HG   GLN 121          HG2       GLN 121 166.393  -3.901   7.748
  999   2HG   GLN 121          HG1       GLN 121 167.858  -3.262   7.000
 1000   1HE2  GLN 121          HE21      GLN 121 166.577  -5.932   8.754
 1001   2HE2  GLN 121          HE22      GLN 121 168.045  -6.717   9.079
 1002    H    ARG 122           HN       ARG 122 167.353  -0.192  10.704
 1003    HA   ARG 122           HA       ARG 122 165.798  -1.019  12.942
 1004   1HB   ARG 122          HB2       ARG 122 167.915   0.115  13.171
 1005   2HB   ARG 122          HB1       ARG 122 167.328   1.508  12.262
 1006   1HG   ARG 122          HG2       ARG 122 165.725   2.033  14.027
 1007   2HG   ARG 122          HG1       ARG 122 166.201   0.588  14.922
 1008   1HD   ARG 122          HD2       ARG 122 168.378   1.461  15.378
 1009   2HD   ARG 122          HD1       ARG 122 168.182   2.763  14.187
 1010    HE   ARG 122           HE       ARG 122 166.058   3.189  15.867
 1011   1HH1  ARG 122          HH11      ARG 122 169.435   2.655  16.343
 1012   2HH1  ARG 122          HH12      ARG 122 169.511   3.595  17.795
 1013   1HH2  ARG 122          HH21      ARG 122 166.145   4.419  17.759
 1014   2HH2  ARG 122          HH22      ARG 122 167.651   4.593  18.596
 1015    H    ALA 123           HN       ALA 123 165.462   1.854  10.847
 1016    HA   ALA 123           HA       ALA 123 163.097   2.849  12.169
 1017   1HB   ALA 123          HB1       ALA 123 164.320   4.424  10.952
 1018   2HB   ALA 123          HB2       ALA 123 163.003   4.077   9.830
 1019   3HB   ALA 123          HB3       ALA 123 164.580   3.321   9.600
 1020    H    LEU 124           HN       LEU 124 163.595   0.849   9.263
 1021    HA   LEU 124           HA       LEU 124 160.666   0.698   8.829
 1022   1HB   LEU 124          HB2       LEU 124 163.159  -0.058   7.301
 1023   2HB   LEU 124          HB1       LEU 124 161.562  -0.568   6.755
 1024    HG   LEU 124           HG       LEU 124 162.291   1.561   5.689
 1025   1HD1  LEU 124          HD11      LEU 124 160.211   2.741   6.038
 1026   2HD1  LEU 124          HD12      LEU 124 159.989   1.981   7.613
 1027   3HD1  LEU 124          HD13      LEU 124 159.872   1.013   6.144
 1028   1HD2  LEU 124          HD21      LEU 124 161.952   2.853   8.395
 1029   2HD2  LEU 124          HD22      LEU 124 162.694   3.523   6.942
 1030   3HD2  LEU 124          HD23      LEU 124 163.528   2.269   7.859
 1031    H    ILE 125           HN       ILE 125 162.864  -1.022  10.664
 1032    HA   ILE 125           HA       ILE 125 162.683  -3.687   9.997
 1033    HB   ILE 125           HB       ILE 125 163.577  -2.211  12.108
 1034   1HG1  ILE 125          HG12      ILE 125 163.164  -5.211  12.180
 1035   2HG1  ILE 125          HG11      ILE 125 164.414  -4.409  11.228
 1036   1HG2  ILE 125          HG21      ILE 125 161.359  -3.959  13.192
 1037   2HG2  ILE 125          HG22      ILE 125 161.340  -2.194  13.156
 1038   3HG2  ILE 125          HG23      ILE 125 162.527  -3.045  14.147
 1039   1HD1  ILE 125          HD11      ILE 125 164.612  -3.310  13.815
 1040   2HD1  ILE 125          HD12      ILE 125 165.733  -4.437  13.052
 1041   3HD1  ILE 125          HD13      ILE 125 164.413  -5.046  14.051
 1042    H    ARG 126           HN       ARG 126 161.276  -5.418  10.993
 1043    HA   ARG 126           HA       ARG 126 159.072  -6.373  10.847
 1044   1HB   ARG 126          HB2       ARG 126 157.960  -5.839  12.912
 1045   2HB   ARG 126          HB1       ARG 126 159.691  -5.708  13.214
 1046   1HG   ARG 126          HG2       ARG 126 159.565  -3.263  12.895
 1047   2HG   ARG 126          HG1       ARG 126 157.832  -3.390  12.598
 1048   1HD   ARG 126          HD2       ARG 126 157.620  -4.474  14.891
 1049   2HD   ARG 126          HD1       ARG 126 159.307  -4.001  15.175
 1050    HE   ARG 126           HE       ARG 126 157.751  -1.781  14.158
 1051   1HH1  ARG 126          HH11      ARG 126 158.511  -3.672  16.944
 1052   2HH1  ARG 126          HH12      ARG 126 158.114  -2.414  18.066
 1053   1HH2  ARG 126          HH21      ARG 126 157.223  -0.135  15.610
 1054   2HH2  ARG 126          HH22      ARG 126 157.385  -0.414  17.312
 1055    H    ARG 127           HN       ARG 127 159.195  -4.451   8.755
 1056    HA   ARG 127           HA       ARG 127 156.406  -3.346   8.941
 1057   1HB   ARG 127          HB2       ARG 127 158.902  -2.096   7.763
 1058   2HB   ARG 127          HB1       ARG 127 157.280  -1.441   7.543
 1059   1HG   ARG 127          HG2       ARG 127 157.651  -1.975  10.329
 1060   2HG   ARG 127          HG1       ARG 127 159.041  -1.051   9.754
 1061   1HD   ARG 127          HD2       ARG 127 157.450   0.587   8.699
 1062   2HD   ARG 127          HD1       ARG 127 156.113  -0.290   9.470
 1063    HE   ARG 127           HE       ARG 127 157.890   0.146  11.548
 1064   1HH1  ARG 127          HH11      ARG 127 156.336   2.099   9.162
 1065   2HH1  ARG 127          HH12      ARG 127 156.276   3.508  10.168
 1066   1HH2  ARG 127          HH21      ARG 127 157.818   1.976  12.868
 1067   2HH2  ARG 127          HH22      ARG 127 157.114   3.439  12.264
 1068    HA   PRO 128           HA       PRO 128 155.649  -5.537   5.193
 1069   1HB   PRO 128          HB2       PRO 128 153.742  -3.853   4.113
 1070   2HB   PRO 128          HB1       PRO 128 153.414  -5.046   5.384
 1071   1HG   PRO 128          HG2       PRO 128 153.815  -2.114   5.599
 1072   2HG   PRO 128          HG1       PRO 128 152.749  -3.183   6.524
 1073   1HD   PRO 128          HD2       PRO 128 155.092  -2.201   7.495
 1074   2HD   PRO 128          HD1       PRO 128 154.390  -3.749   8.013
 1075    H    MET 129           HN       MET 129 156.832  -5.470   3.227
 1076    HA   MET 129           HA       MET 129 157.541  -2.734   2.209
 1077   1HB   MET 129          HB2       MET 129 159.170  -5.236   2.644
 1078   2HB   MET 129          HB1       MET 129 159.709  -3.984   1.524
 1079   1HG   MET 129          HG2       MET 129 159.022  -3.523   4.441
 1080   2HG   MET 129          HG1       MET 129 160.658  -3.659   3.796
 1081   1HE   MET 129          HE1       MET 129 161.246  -0.658   1.649
 1082   2HE   MET 129          HE2       MET 129 160.548  -2.135   0.987
 1083   3HE   MET 129          HE3       MET 129 161.760  -2.235   2.262
 1084    H    LEU 130           HN       LEU 130 157.297  -2.420   0.036
 1085    HA   LEU 130           HA       LEU 130 156.827  -4.772  -1.731
 1086   1HB   LEU 130          HB2       LEU 130 154.653  -4.052  -1.035
 1087   2HB   LEU 130          HB1       LEU 130 155.094  -2.351  -1.185
 1088    HG   LEU 130           HG       LEU 130 155.515  -2.906  -3.675
 1089   1HD1  LEU 130          HD11      LEU 130 153.579  -5.132  -2.992
 1090   2HD1  LEU 130          HD12      LEU 130 155.306  -5.400  -3.235
 1091   3HD1  LEU 130          HD13      LEU 130 154.312  -4.795  -4.561
 1092   1HD2  LEU 130          HD21      LEU 130 153.727  -1.471  -3.299
 1093   2HD2  LEU 130          HD22      LEU 130 152.900  -2.618  -2.247
 1094   3HD2  LEU 130          HD23      LEU 130 152.885  -2.856  -3.994
 1095    H    GLU 131           HN       GLU 131 158.452  -4.495  -3.263
 1096    HA   GLU 131           HA       GLU 131 160.022  -2.285  -3.751
 1097   1HB   GLU 131          HB2       GLU 131 160.759  -3.508  -5.569
 1098   2HB   GLU 131          HB1       GLU 131 159.820  -4.762  -4.762
 1099   1HG   GLU 131          HG2       GLU 131 158.778  -2.953  -6.962
 1100   2HG   GLU 131          HG1       GLU 131 159.292  -4.625  -7.183
 1101    H    GLN 132           HN       GLN 132 159.927  -0.464  -5.076
 1102    HA   GLN 132           HA       GLN 132 158.976   1.215  -6.428
 1103   1HB   GLN 132          HB2       GLN 132 157.684  -1.240  -7.152
 1104   2HB   GLN 132          HB1       GLN 132 156.470   0.039  -7.122
 1105   1HG   GLN 132          HG2       GLN 132 157.279   0.914  -9.030
 1106   2HG   GLN 132          HG1       GLN 132 158.900   1.013  -8.342
 1107   1HE2  GLN 132          HE21      GLN 132 160.149  -1.156  -8.345
 1108   2HE2  GLN 132          HE22      GLN 132 159.909  -2.188  -9.671
 1109    H    ASP 133           HN       ASP 133 157.774   0.047  -3.577
 1110    HA   ASP 133           HA       ASP 133 155.375   1.685  -3.297
 1111   1HB   ASP 133          HB2       ASP 133 155.506   1.039  -0.989
 1112   2HB   ASP 133          HB1       ASP 133 156.041  -0.353  -1.925
 1113    H    ASN 134           HN       ASN 134 155.606   3.304  -1.219
 1114    HA   ASN 134           HA       ASN 134 158.066   4.956  -1.479
 1115   1HB   ASN 134          HB2       ASN 134 155.237   6.002  -1.845
 1116   2HB   ASN 134          HB1       ASN 134 156.724   6.943  -1.972
 1117   1HD2  ASN 134          HD21      ASN 134 154.807   4.404  -3.563
 1118   2HD2  ASN 134          HD22      ASN 134 155.599   4.508  -5.060
 1119    H    ILE 135           HN       ILE 135 158.411   6.255   0.423
 1120    HA   ILE 135           HA       ILE 135 156.391   5.887   2.605
 1121    HB   ILE 135           HB       ILE 135 159.195   5.886   3.478
 1122   1HG1  ILE 135          HG12      ILE 135 158.181   3.582   1.782
 1123   2HG1  ILE 135          HG11      ILE 135 159.459   4.700   1.306
 1124   1HG2  ILE 135          HG21      ILE 135 158.383   4.008   4.810
 1125   2HG2  ILE 135          HG22      ILE 135 156.931   3.897   3.812
 1126   3HG2  ILE 135          HG23      ILE 135 157.186   5.303   4.848
 1127   1HD1  ILE 135          HD11      ILE 135 159.541   2.941   3.775
 1128   2HD1  ILE 135          HD12      ILE 135 160.834   3.992   3.196
 1129   3HD1  ILE 135          HD13      ILE 135 160.360   2.576   2.257
 1130    H    SER 136           HN       SER 136 156.919   7.428   4.474
 1131    HA   SER 136           HA       SER 136 158.057  10.003   3.444
 1132   1HB   SER 136          HB2       SER 136 155.471   9.569   3.354
 1133   2HB   SER 136          HB1       SER 136 155.543   9.849   5.092
 1134    HG   SER 136           HG       SER 136 155.719  11.893   4.678
 1135    H    VAL 137           HN       VAL 137 158.434  11.580   5.260
 1136    HA   VAL 137           HA       VAL 137 159.263  10.140   7.758
 1137    HB   VAL 137           HB       VAL 137 160.272  12.808   6.753
 1138   1HG1  VAL 137          HG11      VAL 137 161.529  10.581   8.386
 1139   2HG1  VAL 137          HG12      VAL 137 160.900  12.098   9.030
 1140   3HG1  VAL 137          HG13      VAL 137 162.306  12.108   7.966
 1141   1HG2  VAL 137          HG21      VAL 137 161.173  10.035   5.911
 1142   2HG2  VAL 137          HG22      VAL 137 162.099  11.507   5.618
 1143   3HG2  VAL 137          HG23      VAL 137 160.518  11.296   4.865
 1144    HA   PRO 138           HA       PRO 138 156.325  12.297  10.209
 1145   1HB   PRO 138          HB2       PRO 138 158.235  13.208  12.145
 1146   2HB   PRO 138          HB1       PRO 138 157.155  11.809  12.267
 1147   1HG   PRO 138          HG2       PRO 138 160.001  11.921  11.554
 1148   2HG   PRO 138          HG1       PRO 138 159.049  10.580  12.205
 1149   1HD   PRO 138          HD2       PRO 138 159.933  10.637   9.652
 1150   2HD   PRO 138          HD1       PRO 138 158.414   9.845  10.122
 1151    H    GLY 139           HN       GLY 139 156.187  14.598  11.335
 1152   1HA   GLY 139          HA2       GLY 139 156.524  16.530   9.279
 1153   2HA   GLY 139          HA1       GLY 139 156.118  16.908  10.952
 1154    H    LEU 140           HN       LEU 140 158.950  15.921   8.994
 1155    HA   LEU 140           HA       LEU 140 160.550  17.875  10.592
 1156   1HB   LEU 140          HB2       LEU 140 162.159  16.267  11.035
 1157   2HB   LEU 140          HB1       LEU 140 160.709  15.273  11.015
 1158    HG   LEU 140           HG       LEU 140 162.396  14.137   9.734
 1159   1HD1  LEU 140          HD11      LEU 140 161.355  14.217   7.402
 1160   2HD1  LEU 140          HD12      LEU 140 160.276  15.449   8.041
 1161   3HD1  LEU 140          HD13      LEU 140 160.271  13.835   8.738
 1162   1HD2  LEU 140          HD21      LEU 140 162.731  16.075   7.579
 1163   2HD2  LEU 140          HD22      LEU 140 163.952  15.181   8.484
 1164   3HD2  LEU 140          HD23      LEU 140 163.312  16.694   9.124
 1165    H    THR 141           HN       THR 141 162.347  18.829   9.445
 1166    HA   THR 141           HA       THR 141 163.025  18.318   6.717
 1167    HB   THR 141           HB       THR 141 160.863  18.908   6.041
 1168    HG1  THR 141           HG1      THR 141 162.037  20.233   4.841
 1169   1HG2  THR 141          HG21      THR 141 159.569  19.657   7.750
 1170   2HG2  THR 141          HG22      THR 141 160.044  21.260   7.188
 1171   3HG2  THR 141          HG23      THR 141 160.918  20.496   8.516
 1172    H    LEU 142           HN       LEU 142 163.586  20.797   5.759
 1173    HA   LEU 142           HA       LEU 142 164.891  22.366   7.926
 1174   1HB   LEU 142          HB2       LEU 142 167.043  22.243   6.611
 1175   2HB   LEU 142          HB1       LEU 142 166.537  20.700   7.299
 1176    HG   LEU 142           HG       LEU 142 165.393  21.179   4.648
 1177   1HD1  LEU 142          HD11      LEU 142 168.307  21.525   5.106
 1178   2HD1  LEU 142          HD12      LEU 142 167.294  22.128   3.794
 1179   3HD1  LEU 142          HD13      LEU 142 167.855  20.455   3.779
 1180   1HD2  LEU 142          HD21      LEU 142 166.949  19.005   6.057
 1181   2HD2  LEU 142          HD22      LEU 142 166.516  18.875   4.352
 1182   3HD2  LEU 142          HD23      LEU 142 165.253  18.996   5.576
 1183    H    ALA 143           HN       ALA 143 166.410  23.235   5.175
 1184    HA   ALA 143           HA       ALA 143 165.092  25.696   4.733
 1185   1HB   ALA 143          HB1       ALA 143 166.547  25.844   2.904
 1186   2HB   ALA 143          HB2       ALA 143 166.387  24.131   2.518
 1187   3HB   ALA 143          HB3       ALA 143 167.356  24.637   3.902
 1188    H    GLY 144           HN       GLY 144 164.484  25.744   2.003
 1189   1HA   GLY 144          HA2       GLY 144 161.838  24.456   1.947
 1190   2HA   GLY 144          HA1       GLY 144 162.501  25.503   0.692
 1191    H    GLN 145           HN       GLN 145 162.703  22.238   2.083
 1192    HA   GLN 145           HA       GLN 145 164.163  21.255  -0.311
 1193   1HB   GLN 145          HB2       GLN 145 164.459  19.269   1.047
 1194   2HB   GLN 145          HB1       GLN 145 164.731  20.663   2.090
 1195   1HG   GLN 145          HG2       GLN 145 162.459  20.497   2.964
 1196   2HG   GLN 145          HG1       GLN 145 162.101  19.174   1.855
 1197   1HE2  GLN 145          HE21      GLN 145 165.178  18.435   2.525
 1198   2HE2  GLN 145          HE22      GLN 145 164.994  17.516   3.938
 1199    H    THR 146           HN       THR 146 163.290  19.224  -1.356
 1200    HA   THR 146           HA       THR 146 160.317  18.979  -1.178
 1201    HB   THR 146           HB       THR 146 160.912  20.560  -2.978
 1202    HG1  THR 146           HG1      THR 146 159.165  19.349  -3.472
 1203   1HG2  THR 146          HG21      THR 146 163.084  18.785  -3.326
 1204   2HG2  THR 146          HG22      THR 146 162.739  20.248  -4.249
 1205   3HG2  THR 146          HG23      THR 146 162.126  18.690  -4.804
 1206    H    GLY 147           HN       GLY 147 159.539  16.920  -1.908
 1207   1HA   GLY 147          HA2       GLY 147 159.694  14.633  -2.494
 1208   2HA   GLY 147          HA1       GLY 147 161.413  14.865  -2.815
 1209    H    LEU 148           HN       LEU 148 162.886  14.707  -1.076
 1210    HA   LEU 148           HA       LEU 148 163.647  13.616   0.919
 1211   1HB   LEU 148          HB2       LEU 148 162.946  14.913   2.776
 1212   2HB   LEU 148          HB1       LEU 148 162.743  15.983   1.393
 1213    HG   LEU 148           HG       LEU 148 160.370  14.331   2.011
 1214   1HD1  LEU 148          HD11      LEU 148 160.401  14.729   4.236
 1215   2HD1  LEU 148          HD12      LEU 148 160.063  16.407   3.812
 1216   3HD1  LEU 148          HD13      LEU 148 161.724  15.886   4.090
 1217   1HD2  LEU 148          HD21      LEU 148 159.973  17.172   2.027
 1218   2HD2  LEU 148          HD22      LEU 148 159.474  16.007   0.802
 1219   3HD2  LEU 148          HD23      LEU 148 161.065  16.763   0.704
 1220    H    LEU 149           HN       LEU 149 162.052  11.780  -0.419
 1221    HA   LEU 149           HA       LEU 149 160.721  10.429   1.886
 1222   1HB   LEU 149          HB2       LEU 149 158.840   9.858   0.480
 1223   2HB   LEU 149          HB1       LEU 149 159.097  11.595   0.311
 1224    HG   LEU 149           HG       LEU 149 160.735  10.659  -1.652
 1225   1HD1  LEU 149          HD11      LEU 149 158.651   8.602  -1.094
 1226   2HD1  LEU 149          HD12      LEU 149 160.268   8.409  -1.771
 1227   3HD1  LEU 149          HD13      LEU 149 158.951   8.997  -2.786
 1228   1HD2  LEU 149          HD21      LEU 149 159.001  12.423  -1.846
 1229   2HD2  LEU 149          HD22      LEU 149 157.753  11.178  -1.902
 1230   3HD2  LEU 149          HD23      LEU 149 158.935  11.302  -3.206
 1231    H    PHE 150           HN       PHE 150 160.561   8.030   1.458
 1232    HA   PHE 150           HA       PHE 150 163.027   7.119   0.099
 1233   1HB   PHE 150          HB2       PHE 150 160.958   5.893   1.940
 1234   2HB   PHE 150          HB1       PHE 150 162.262   4.940   1.232
 1235    HD1  PHE 150           HD1      PHE 150 161.429   7.659   3.578
 1236    HD2  PHE 150           HD2      PHE 150 164.583   5.286   1.882
 1237    HE1  PHE 150           HE1      PHE 150 162.978   8.457   5.343
 1238    HE2  PHE 150           HE2      PHE 150 166.133   6.083   3.647
 1239    HZ   PHE 150           HZ       PHE 150 165.331   7.670   5.377
 1240    H    LYS 151           HN       LYS 151 163.021   5.904  -1.777
 1241    HA   LYS 151           HA       LYS 151 160.346   5.166  -2.930
 1242   1HB   LYS 151          HB2       LYS 151 161.461   7.087  -4.023
 1243   2HB   LYS 151          HB1       LYS 151 162.908   6.111  -4.269
 1244   1HG   LYS 151          HG2       LYS 151 161.682   6.081  -6.337
 1245   2HG   LYS 151          HG1       LYS 151 161.470   4.496  -5.591
 1246   1HD   LYS 151          HD2       LYS 151 159.263   4.969  -4.919
 1247   2HD   LYS 151          HD1       LYS 151 159.492   6.711  -5.080
 1248   1HE   LYS 151          HE2       LYS 151 158.144   5.871  -6.965
 1249   2HE   LYS 151          HE1       LYS 151 159.728   6.403  -7.563
 1250   1HZ   LYS 151          HZ1       LYS 151 160.534   4.135  -7.355
 1251   2HZ   LYS 151          HZ2       LYS 151 159.185   4.187  -8.387
 1252   3HZ   LYS 151          HZ3       LYS 151 159.018   3.620  -6.794
 1253    H    VAL 152           HN       VAL 152 160.350   2.939  -2.437
 1254    HA   VAL 152           HA       VAL 152 162.767   1.321  -2.580
 1255    HB   VAL 152           HB       VAL 152 159.935   0.284  -2.556
 1256   1HG1  VAL 152          HG11      VAL 152 161.458  -1.484  -2.407
 1257   2HG1  VAL 152          HG12      VAL 152 161.148  -1.130  -0.708
 1258   3HG1  VAL 152          HG13      VAL 152 162.620  -0.536  -1.478
 1259   1HG2  VAL 152          HG21      VAL 152 161.331   1.993  -0.524
 1260   2HG2  VAL 152          HG22      VAL 152 160.318   0.666   0.054
 1261   3HG2  VAL 152          HG23      VAL 152 159.618   1.938  -0.950
 1262    H    VAL 153           HN       VAL 153 163.440   0.004  -4.286
 1263    HA   VAL 153           HA       VAL 153 161.681  -0.022  -6.714
 1264    HB   VAL 153           HB       VAL 153 164.563   0.712  -6.291
 1265   1HG1  VAL 153          HG11      VAL 153 163.332  -0.336  -8.858
 1266   2HG1  VAL 153          HG12      VAL 153 164.681  -1.045  -7.970
 1267   3HG1  VAL 153          HG13      VAL 153 164.875   0.515  -8.772
 1268   1HG2  VAL 153          HG21      VAL 153 162.388   2.231  -6.608
 1269   2HG2  VAL 153          HG22      VAL 153 162.718   1.919  -8.312
 1270   3HG2  VAL 153          HG23      VAL 153 163.940   2.697  -7.305
 1271    H    LYS 154           HN       LYS 154 163.863  -1.820  -4.621
 1272    HA   LYS 154           HA       LYS 154 163.283  -4.234  -6.287
 1273   1HB   LYS 154          HB2       LYS 154 165.475  -3.398  -6.936
 1274   2HB   LYS 154          HB1       LYS 154 165.971  -3.293  -5.248
 1275   1HG   LYS 154          HG2       LYS 154 166.861  -5.341  -6.295
 1276   2HG   LYS 154          HG1       LYS 154 165.713  -5.736  -5.015
 1277   1HD   LYS 154          HD2       LYS 154 163.932  -6.030  -6.698
 1278   2HD   LYS 154          HD1       LYS 154 165.080  -5.639  -7.980
 1279   1HE   LYS 154          HE2       LYS 154 165.982  -7.776  -6.139
 1280   2HE   LYS 154          HE1       LYS 154 164.581  -8.193  -7.147
 1281   1HZ   LYS 154          HZ1       LYS 154 166.471  -8.631  -8.465
 1282   2HZ   LYS 154          HZ2       LYS 154 167.220  -7.169  -8.032
 1283   3HZ   LYS 154          HZ3       LYS 154 165.853  -7.160  -9.040
 1284    H    THR 155           HN       THR 155 162.600  -5.893  -5.050
 1285    HA   THR 155           HA       THR 155 163.520  -6.060  -2.206
 1286    HB   THR 155           HB       THR 155 161.219  -6.812  -1.640
 1287    HG1  THR 155           HG1      THR 155 160.690  -7.600  -3.715
 1288   1HG2  THR 155          HG21      THR 155 160.629  -4.668  -1.272
 1289   2HG2  THR 155          HG22      THR 155 160.502  -4.334  -2.999
 1290   3HG2  THR 155          HG23      THR 155 162.066  -4.218  -2.191
 1291    H    LEU 156           HN       LEU 156 163.355  -8.358  -1.415
 1292    HA   LEU 156           HA       LEU 156 164.288 -10.151  -3.558
 1293   1HB   LEU 156          HB2       LEU 156 164.931  -9.673  -0.914
 1294   2HB   LEU 156          HB1       LEU 156 164.050 -11.199  -0.828
 1295    HG   LEU 156           HG       LEU 156 166.475 -11.569  -1.201
 1296   1HD1  LEU 156          HD11      LEU 156 164.749 -12.243  -3.601
 1297   2HD1  LEU 156          HD12      LEU 156 164.823 -13.172  -2.104
 1298   3HD1  LEU 156          HD13      LEU 156 166.243 -13.061  -3.144
 1299   1HD2  LEU 156          HD21      LEU 156 166.506 -10.733  -3.983
 1300   2HD2  LEU 156          HD22      LEU 156 167.643 -10.343  -2.692
 1301   3HD2  LEU 156          HD23      LEU 156 166.193  -9.364  -2.916
 1302    HA   PRO 157           HA       PRO 157 160.413 -12.478  -1.565
 1303   1HB   PRO 157          HB2       PRO 157 158.633 -10.097  -1.562
 1304   2HB   PRO 157          HB1       PRO 157 158.743 -11.425  -0.393
 1305   1HG   PRO 157          HG2       PRO 157 159.697  -8.958   0.115
 1306   2HG   PRO 157          HG1       PRO 157 160.418 -10.428   0.788
 1307   1HD   PRO 157          HD2       PRO 157 161.424  -8.655  -1.352
 1308   2HD   PRO 157          HD1       PRO 157 162.319  -9.713  -0.239
 1309    H    SER 158           HN       SER 158 158.028 -12.459  -2.744
 1310    HA   SER 158           HA       SER 158 158.647 -12.338  -5.624
 1311   1HB   SER 158          HB2       SER 158 157.415 -14.159  -4.241
 1312   2HB   SER 158          HB1       SER 158 156.038 -13.063  -4.311
 1313    HG   SER 158           HG       SER 158 157.500 -13.905  -6.590
 1314    H    LYS 159           HN       LYS 159 158.502  -9.769  -4.383
 1315    HA   LYS 159           HA       LYS 159 157.514  -7.648  -4.733
 1316   1HB   LYS 159          HB2       LYS 159 155.871  -9.180  -6.775
 1317   2HB   LYS 159          HB1       LYS 159 156.204  -7.448  -6.768
 1318   1HG   LYS 159          HG2       LYS 159 158.371  -9.554  -6.945
 1319   2HG   LYS 159          HG1       LYS 159 157.645  -8.789  -8.359
 1320   1HD   LYS 159          HD2       LYS 159 158.249  -6.550  -7.206
 1321   2HD   LYS 159          HD1       LYS 159 159.315  -7.523  -6.190
 1322   1HE   LYS 159          HE2       LYS 159 159.397  -7.623  -9.223
 1323   2HE   LYS 159          HE1       LYS 159 160.444  -6.566  -8.254
 1324   1HZ   LYS 159          HZ1       LYS 159 161.456  -8.351  -7.229
 1325   2HZ   LYS 159          HZ2       LYS 159 161.246  -8.948  -8.806
 1326   3HZ   LYS 159          HZ3       LYS 159 160.183  -9.419  -7.567
 1327    H    VAL 160           HN       VAL 160 156.264  -9.954  -3.047
 1328    HA   VAL 160           HA       VAL 160 153.487  -8.882  -2.832
 1329    HB   VAL 160           HB       VAL 160 153.118 -10.942  -1.526
 1330   1HG1  VAL 160          HG11      VAL 160 152.855 -11.177  -3.910
 1331   2HG1  VAL 160          HG12      VAL 160 153.732 -12.598  -3.342
 1332   3HG1  VAL 160          HG13      VAL 160 154.600 -11.289  -4.146
 1333   1HG2  VAL 160          HG21      VAL 160 155.869 -10.757  -1.063
 1334   2HG2  VAL 160          HG22      VAL 160 155.701 -12.169  -2.105
 1335   3HG2  VAL 160          HG23      VAL 160 154.821 -12.090  -0.579
 1336    HA   PRO 161           HA       PRO 161 154.262  -6.625   0.824
 1337   1HB   PRO 161          HB2       PRO 161 152.331  -7.845   2.508
 1338   2HB   PRO 161          HB1       PRO 161 152.105  -6.396   1.515
 1339   1HG   PRO 161          HG2       PRO 161 151.260  -9.169   1.014
 1340   2HG   PRO 161          HG1       PRO 161 150.582  -7.651   0.409
 1341   1HD   PRO 161          HD2       PRO 161 152.027  -9.365  -1.137
 1342   2HD   PRO 161          HD1       PRO 161 151.964  -7.610  -1.419
 1343    H    VAL 162           HN       VAL 162 156.046  -7.054   2.043
 1344    HA   VAL 162           HA       VAL 162 156.101  -9.620   3.594
 1345    HB   VAL 162           HB       VAL 162 158.458  -9.764   3.152
 1346   1HG1  VAL 162          HG11      VAL 162 156.524  -9.932   1.186
 1347   2HG1  VAL 162          HG12      VAL 162 158.180 -10.519   1.044
 1348   3HG1  VAL 162          HG13      VAL 162 157.757  -8.917   0.439
 1349   1HG2  VAL 162          HG21      VAL 162 158.169  -7.076   1.769
 1350   2HG2  VAL 162          HG22      VAL 162 159.652  -8.024   1.882
 1351   3HG2  VAL 162          HG23      VAL 162 158.932  -7.336   3.338
 1352    H    GLU 163           HN       GLU 163 157.273  -9.422   5.635
 1353    HA   GLU 163           HA       GLU 163 157.243  -6.625   6.676
 1354   1HB   GLU 163          HB2       GLU 163 155.783  -8.274   7.754
 1355   2HB   GLU 163          HB1       GLU 163 157.168  -9.329   8.047
 1356   1HG   GLU 163          HG2       GLU 163 158.205  -7.573   9.445
 1357   2HG   GLU 163          HG1       GLU 163 156.812  -6.529   9.160
 1358    H    ILE 164           HN       ILE 164 159.161  -5.695   7.118
 1359    HA   ILE 164           HA       ILE 164 161.672  -7.036   6.626
 1360    HB   ILE 164           HB       ILE 164 160.767  -4.388   7.759
 1361   1HG1  ILE 164          HG12      ILE 164 160.562  -4.877   5.309
 1362   2HG1  ILE 164          HG11      ILE 164 161.652  -3.534   5.658
 1363   1HG2  ILE 164          HG21      ILE 164 163.072  -3.662   7.860
 1364   2HG2  ILE 164          HG22      ILE 164 163.634  -5.214   7.236
 1365   3HG2  ILE 164          HG23      ILE 164 162.912  -5.117   8.842
 1366   1HD1  ILE 164          HD11      ILE 164 163.435  -4.636   4.812
 1367   2HD1  ILE 164          HD12      ILE 164 162.272  -5.772   4.128
 1368   3HD1  ILE 164          HD13      ILE 164 163.027  -6.112   5.685
 1369    H    GLY 165           HN       GLY 165 163.298  -7.541   8.216
 1370   1HA   GLY 165          HA2       GLY 165 162.466  -7.397  11.055
 1371   2HA   GLY 165          HA1       GLY 165 162.944  -8.978  10.432
 1372    H    GLU 166           HN       GLU 166 164.410  -7.913  12.481
 1373    HA   GLU 166           HA       GLU 166 166.525  -6.161  11.877
 1374   1HB   GLU 166          HB2       GLU 166 167.623  -7.295  13.798
 1375   2HB   GLU 166          HB1       GLU 166 165.910  -7.011  14.114
 1376   1HG   GLU 166          HG2       GLU 166 165.397  -9.328  13.435
 1377   2HG   GLU 166          HG1       GLU 166 167.109  -9.615  13.122
 1378    H    GLU 167           HN       GLU 167 166.015  -9.445  10.843
 1379    HA   GLU 167           HA       GLU 167 168.852  -9.901  10.162
 1380   1HB   GLU 167          HB2       GLU 167 168.028 -12.120   9.605
 1381   2HB   GLU 167          HB1       GLU 167 167.274 -11.612  11.116
 1382   1HG   GLU 167          HG2       GLU 167 165.302 -10.803   9.772
 1383   2HG   GLU 167          HG1       GLU 167 166.038 -11.547   8.352
 1384    H    THR 168           HN       THR 168 165.983  -8.718   8.622
 1385    HA   THR 168           HA       THR 168 166.368  -9.496   5.929
 1386    HB   THR 168           HB       THR 168 165.345  -6.844   6.990
 1387    HG1  THR 168           HG1      THR 168 164.089  -9.369   6.699
 1388   1HG2  THR 168          HG21      THR 168 163.762  -7.718   4.881
 1389   2HG2  THR 168          HG22      THR 168 165.396  -8.145   4.374
 1390   3HG2  THR 168          HG23      THR 168 165.009  -6.475   4.788
 1391    H    LYS 169           HN       LYS 169 167.505  -8.506   4.180
 1392    HA   LYS 169           HA       LYS 169 169.820  -6.827   5.004
 1393   1HB   LYS 169          HB2       LYS 169 169.120  -8.291   2.434
 1394   2HB   LYS 169          HB1       LYS 169 170.652  -7.476   2.750
 1395   1HG   LYS 169          HG2       LYS 169 171.058  -8.975   4.668
 1396   2HG   LYS 169          HG1       LYS 169 169.527  -9.794   4.352
 1397   1HD   LYS 169          HD2       LYS 169 170.335 -10.446   2.112
 1398   2HD   LYS 169          HD1       LYS 169 171.867  -9.632   2.428
 1399   1HE   LYS 169          HE2       LYS 169 172.374 -11.859   3.000
 1400   2HE   LYS 169          HE1       LYS 169 171.905 -11.185   4.574
 1401   1HZ   LYS 169          HZ1       LYS 169 169.620 -11.883   4.136
 1402   2HZ   LYS 169          HZ2       LYS 169 170.676 -13.214   4.134
 1403   3HZ   LYS 169          HZ3       LYS 169 170.101 -12.580   2.667
 1404    H    ILE 170           HN       ILE 170 170.175  -4.768   4.035
 1405    HA   ILE 170           HA       ILE 170 167.909  -3.733   2.372
 1406    HB   ILE 170           HB       ILE 170 169.228  -2.671   4.855
 1407   1HG1  ILE 170          HG12      ILE 170 166.453  -3.250   3.847
 1408   2HG1  ILE 170          HG11      ILE 170 167.218  -3.772   5.348
 1409   1HG2  ILE 170          HG21      ILE 170 168.280  -0.459   4.403
 1410   2HG2  ILE 170          HG22      ILE 170 167.650  -1.018   2.854
 1411   3HG2  ILE 170          HG23      ILE 170 169.392  -0.894   3.104
 1412   1HD1  ILE 170          HD11      ILE 170 165.816  -2.094   6.135
 1413   2HD1  ILE 170          HD12      ILE 170 165.983  -1.134   4.664
 1414   3HD1  ILE 170          HD13      ILE 170 167.296  -1.176   5.842
 1415    H    GLU 171           HN       GLU 171 168.476  -1.880   1.053
 1416    HA   GLU 171           HA       GLU 171 171.396  -1.445   0.630
 1417   1HB   GLU 171          HB2       GLU 171 169.355  -2.574  -1.215
 1418   2HB   GLU 171          HB1       GLU 171 170.486  -1.415  -1.916
 1419   1HG   GLU 171          HG2       GLU 171 172.379  -2.731  -1.019
 1420   2HG   GLU 171          HG1       GLU 171 171.241  -3.897  -0.344
 1421    H    ILE 172           HN       ILE 172 171.846   0.704   0.379
 1422    HA   ILE 172           HA       ILE 172 169.555   2.550  -0.237
 1423    HB   ILE 172           HB       ILE 172 172.051   3.085   1.411
 1424   1HG1  ILE 172          HG12      ILE 172 170.648   1.365   2.496
 1425   2HG1  ILE 172          HG11      ILE 172 170.580   2.885   3.385
 1426   1HG2  ILE 172          HG21      ILE 172 169.582   4.657   1.804
 1427   2HG2  ILE 172          HG22      ILE 172 170.343   4.865   0.226
 1428   3HG2  ILE 172          HG23      ILE 172 171.257   5.198   1.697
 1429   1HD1  ILE 172          HD11      ILE 172 168.367   1.514   2.712
 1430   2HD1  ILE 172          HD12      ILE 172 168.536   2.494   1.257
 1431   3HD1  ILE 172          HD13      ILE 172 168.388   3.273   2.831
 1432    H    ARG 173           HN       ARG 173 169.860   3.448  -2.258
 1433    HA   ARG 173           HA       ARG 173 172.599   3.465  -3.401
 1434   1HB   ARG 173          HB2       ARG 173 171.316   4.106  -5.469
 1435   2HB   ARG 173          HB1       ARG 173 170.798   2.582  -4.753
 1436   1HG   ARG 173          HG2       ARG 173 168.816   3.505  -3.917
 1437   2HG   ARG 173          HG1       ARG 173 169.445   5.154  -3.982
 1438   1HD   ARG 173          HD2       ARG 173 167.759   4.510  -5.825
 1439   2HD   ARG 173          HD1       ARG 173 169.291   5.211  -6.383
 1440    HE   ARG 173           HE       ARG 173 169.853   3.105  -7.289
 1441   1HH1  ARG 173          HH11      ARG 173 167.369   2.849  -4.907
 1442   2HH1  ARG 173          HH12      ARG 173 167.096   1.162  -5.185
 1443   1HH2  ARG 173          HH21      ARG 173 169.509   0.906  -7.660
 1444   2HH2  ARG 173          HH22      ARG 173 168.306   0.062  -6.742
 1445    H    GLU 174           HN       GLU 174 173.330   5.459  -4.544
 1446    HA   GLU 174           HA       GLU 174 172.801   7.822  -2.816
 1447   1HB   GLU 174          HB2       GLU 174 175.001   7.115  -4.787
 1448   2HB   GLU 174          HB1       GLU 174 174.991   8.548  -3.759
 1449   1HG   GLU 174          HG2       GLU 174 174.930   7.112  -1.752
 1450   2HG   GLU 174          HG1       GLU 174 174.942   5.678  -2.779
 1451    H    GLU 175           HN       GLU 175 171.357   6.785  -5.468
 1452    HA   GLU 175           HA       GLU 175 171.643   9.202  -7.156
 1453   1HB   GLU 175          HB2       GLU 175 171.583   6.908  -8.110
 1454   2HB   GLU 175          HB1       GLU 175 169.971   6.681  -7.429
 1455   1HG   GLU 175          HG2       GLU 175 169.923   9.136  -8.855
 1456   2HG   GLU 175          HG1       GLU 175 170.702   7.950  -9.902
 1457    HA   PRO 176           HA       PRO 176 168.175  10.794  -4.758
 1458   1HB   PRO 176          HB2       PRO 176 168.752  13.262  -6.245
 1459   2HB   PRO 176          HB1       PRO 176 168.840  12.963  -4.499
 1460   1HG   PRO 176          HG2       PRO 176 171.043  13.337  -5.977
 1461   2HG   PRO 176          HG1       PRO 176 171.014  12.227  -4.594
 1462   1HD   PRO 176          HD2       PRO 176 170.806  11.595  -7.512
 1463   2HD   PRO 176          HD1       PRO 176 171.772  10.793  -6.248
 1464    H    ALA 177           HN       ALA 177 166.703  12.860  -5.984
 1465    HA   ALA 177           HA       ALA 177 165.045  11.295  -7.817
 1466   1HB   ALA 177          HB1       ALA 177 164.800  13.480  -6.025
 1467   2HB   ALA 177          HB2       ALA 177 163.508  12.694  -6.933
 1468   3HB   ALA 177          HB3       ALA 177 164.346  14.087  -7.617
 1469    H    SER 178           HN       SER 178 167.438  11.513  -9.100
 1470    HA   SER 178           HA       SER 178 167.486  13.835 -10.902
 1471   1HB   SER 178          HB2       SER 178 169.574  12.835 -10.298
 1472   2HB   SER 178          HB1       SER 178 168.983  11.215 -10.657
 1473    HG   SER 178           HG       SER 178 169.740  11.548 -12.582
 1474    H    GLU 179           HN       GLU 179 166.324  13.947 -12.779
 1475    HA   GLU 179           HA       GLU 179 165.001  13.274 -14.618
 1476   1HB   GLU 179          HB2       GLU 179 167.131  11.947 -14.943
 1477   2HB   GLU 179          HB1       GLU 179 166.347  10.606 -14.106
 1478   1HG   GLU 179          HG2       GLU 179 164.544  10.604 -15.785
 1479   2HG   GLU 179          HG1       GLU 179 165.327  11.942 -16.628
 1480    H    VAL 180           HN       VAL 180 164.324  12.554 -11.599
 1481    HA   VAL 180           HA       VAL 180 162.095  10.657 -12.269
 1482    HB   VAL 180           HB       VAL 180 163.566  11.180  -9.665
 1483   1HG1  VAL 180          HG11      VAL 180 161.956   8.745  -9.912
 1484   2HG1  VAL 180          HG12      VAL 180 160.989  10.216 -10.019
 1485   3HG1  VAL 180          HG13      VAL 180 162.005   9.929  -8.606
 1486   1HG2  VAL 180          HG21      VAL 180 164.351   9.684 -11.891
 1487   2HG2  VAL 180          HG22      VAL 180 163.665   8.489 -10.790
 1488   3HG2  VAL 180          HG23      VAL 180 164.989   9.524 -10.254
 1489    H    LEU 181           HN       LEU 181 160.108  11.627 -12.201
 1490    HA   LEU 181           HA       LEU 181 159.619  13.749 -10.164
 1491   1HB   LEU 181          HB2       LEU 181 158.265  14.792 -12.249
 1492   2HB   LEU 181          HB1       LEU 181 159.951  15.193 -11.934
 1493    HG   LEU 181           HG       LEU 181 159.304  12.794 -13.621
 1494   1HD1  LEU 181          HD11      LEU 181 158.959  14.052 -15.563
 1495   2HD1  LEU 181          HD12      LEU 181 159.673  15.506 -14.866
 1496   3HD1  LEU 181          HD13      LEU 181 158.063  14.988 -14.366
 1497   1HD2  LEU 181          HD21      LEU 181 161.458  14.263 -14.636
 1498   2HD2  LEU 181          HD22      LEU 181 161.565  12.818 -13.631
 1499   3HD2  LEU 181          HD23      LEU 181 161.613  14.416 -12.886
 1500    H    GLU 182           HN       GLU 182 158.451  11.849  -9.202
 1501    HA   GLU 182           HA       GLU 182 156.271  10.514 -10.476
 1502   1HB   GLU 182          HB2       GLU 182 157.391   9.801  -8.395
 1503   2HB   GLU 182          HB1       GLU 182 156.762  11.226  -7.565
 1504   1HG   GLU 182          HG2       GLU 182 155.336   9.306  -7.065
 1505   2HG   GLU 182          HG1       GLU 182 154.445  10.453  -8.067
 1506    H    GLU 183           HN       GLU 183 154.059  11.032 -10.574
 1507    HA   GLU 183           HA       GLU 183 153.275  13.770 -10.692
 1508   1HB   GLU 183          HB2       GLU 183 151.388  11.483 -10.120
 1509   2HB   GLU 183          HB1       GLU 183 151.126  12.888 -11.151
 1510   1HG   GLU 183          HG2       GLU 183 153.101  11.940 -12.559
 1511   2HG   GLU 183          HG1       GLU 183 152.780  10.431 -11.703
 1512    H    GLY 184           HN       GLY 184 152.358  15.134  -9.159
 1513   1HA   GLY 184          HA2       GLY 184 150.929  14.815  -6.918
 1514   2HA   GLY 184          HA1       GLY 184 152.489  14.222  -6.346
 1515    H    GLY 185           HN       GLY 185 151.093  17.039  -8.060
 1516   1HA   GLY 185          HA2       GLY 185 151.376  19.277  -7.008
 1517   2HA   GLY 185          HA1       GLY 185 152.976  18.750  -6.485